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 3lcf_1_D DATA FIRST_RESID 1 DATA SEQUENCE MATNLRGVMA ALLTPFDQQQ ALDKASLRRL VQFNIQQGID GLYVGGSTGE DATA SEQUENCE AFVQSLSERE QVLEIVAEEA KGKIKLIAHV GCVSTAESQQ LAASAKRYGF DATA SEQUENCE DAVSAVTPFY YPFSFEEHCD HYRAIIDSAD GLPMVVYNIP ALSGVKLTLD DATA SEQUENCE QINTLVTLPG VGALKQTSGD LYQMEQIRRE HPDLVLYNGY DEIFASGLLA DATA SEQUENCE GADGGIGSTY NIMGWRYQGI VKALKEGDIQ TAQKLQTECN KVIDLLIKTG DATA SEQUENCE IFRGLKTVLH YMDVVSVPLC RKPFGPVDEK YLPELKALAQ QLMQER VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.313 176.300 0.022 0.000 1.140 1 M CA 0.000 55.313 55.300 0.022 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 A N 0.143 122.974 122.820 0.019 0.000 1.933 2 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 2 A C 1.859 179.457 177.584 0.023 0.000 1.175 2 A CA 2.543 54.590 52.037 0.017 0.000 0.628 2 A CB -0.560 18.449 19.000 0.014 0.000 0.814 2 A HN 0.506 nan 8.150 nan 0.000 0.444 3 T N -0.907 113.663 114.554 0.026 0.000 3.040 3 T HA 0.126 4.475 4.350 -0.000 0.000 0.266 3 T C 0.489 175.213 174.700 0.040 0.000 1.005 3 T CA -0.177 61.943 62.100 0.032 0.000 0.906 3 T CB -0.256 68.628 68.868 0.027 0.000 1.082 3 T HN 0.485 nan 8.240 nan 0.000 0.531 4 N N 1.864 120.587 118.700 0.038 0.000 2.468 4 N HA 0.116 4.856 4.740 -0.000 0.000 0.265 4 N C 0.639 176.190 175.510 0.068 0.000 1.199 4 N CA 0.151 53.227 53.050 0.043 0.000 0.928 4 N CB 0.316 38.824 38.487 0.035 0.000 1.059 4 N HN 0.177 nan 8.380 nan 0.000 0.467 5 L N 2.147 123.417 121.223 0.079 0.000 2.607 5 L HA 0.243 4.583 4.340 -0.000 0.000 0.228 5 L C 0.759 177.732 176.870 0.171 0.000 1.123 5 L CA -0.110 54.819 54.840 0.149 0.000 0.890 5 L CB -0.095 42.074 42.059 0.184 0.000 1.103 5 L HN 0.429 nan 8.230 nan 0.000 0.468 6 R N 0.843 121.381 120.500 0.064 0.000 2.590 6 R HA 0.456 4.796 4.340 -0.000 0.000 0.274 6 R C 0.366 176.748 176.300 0.136 0.000 1.061 6 R CA 0.630 56.749 56.100 0.031 0.000 1.081 6 R CB 0.512 30.806 30.300 -0.011 0.000 0.984 6 R HN 0.190 nan 8.270 nan 0.000 0.448 7 G N 0.104 109.021 108.800 0.195 0.000 2.362 7 G HA2 0.038 3.998 3.960 -0.000 0.000 0.288 7 G HA3 0.038 3.998 3.960 -0.000 0.000 0.288 7 G C -1.703 173.372 174.900 0.292 0.000 1.305 7 G CA -1.024 44.204 45.100 0.214 0.000 0.910 7 G HN 0.386 nan 8.290 nan 0.000 0.518 8 V N 1.248 121.293 119.914 0.218 0.000 2.333 8 V HA 0.665 4.784 4.120 -0.000 0.000 0.274 8 V C 0.321 176.531 176.094 0.193 0.000 1.028 8 V CA 0.039 62.460 62.300 0.202 0.000 0.851 8 V CB 0.834 32.671 31.823 0.024 0.000 1.000 8 V HN 0.609 nan 8.190 nan 0.000 0.456 9 M N 4.187 123.932 119.600 0.241 0.000 2.259 9 M HA 0.664 5.144 4.480 -0.000 0.000 0.304 9 M C -0.013 176.328 176.300 0.068 0.000 1.019 9 M CA -0.451 54.924 55.300 0.125 0.000 0.922 9 M CB 2.189 34.795 32.600 0.010 0.000 1.600 9 M HN 0.610 nan 8.290 nan 0.000 0.433 10 A N 2.314 125.186 122.820 0.086 0.000 2.440 10 A HA 0.694 5.014 4.320 -0.000 0.000 0.251 10 A C 0.206 177.720 177.584 -0.118 0.000 1.089 10 A CA -0.489 51.520 52.037 -0.046 0.000 0.779 10 A CB 0.256 19.291 19.000 0.058 0.000 1.022 10 A HN 0.902 nan 8.150 nan 0.000 0.492 11 A N 2.755 125.437 122.820 -0.231 0.000 2.343 11 A HA 0.490 4.810 4.320 -0.000 0.000 0.305 11 A C 0.021 177.544 177.584 -0.102 0.000 1.308 11 A CA -0.384 51.578 52.037 -0.125 0.000 0.949 11 A CB -0.446 18.433 19.000 -0.200 0.000 1.148 11 A HN 1.057 nan 8.150 nan 0.000 0.545 12 L N 3.219 124.406 121.223 -0.061 0.000 2.490 12 L HA 0.252 4.592 4.340 -0.000 0.000 0.274 12 L C -0.007 176.770 176.870 -0.155 0.000 1.201 12 L CA 0.546 55.337 54.840 -0.082 0.000 0.869 12 L CB 0.219 42.246 42.059 -0.054 0.000 1.123 12 L HN 0.623 nan 8.230 nan 0.000 0.484 13 L N 3.674 124.797 121.223 -0.167 0.000 2.439 13 L HA 0.420 4.760 4.340 -0.000 0.000 0.259 13 L C 0.278 176.985 176.870 -0.272 0.000 1.129 13 L CA -0.413 54.277 54.840 -0.249 0.000 0.803 13 L CB 1.067 43.005 42.059 -0.201 0.000 1.161 13 L HN 0.549 nan 8.230 nan 0.000 0.462 14 T N 2.079 116.400 114.554 -0.389 0.000 2.874 14 T HA 0.336 4.686 4.350 -0.000 0.000 0.321 14 T C -2.493 171.703 174.700 -0.840 0.000 1.075 14 T CA -1.220 60.558 62.100 -0.536 0.000 0.966 14 T CB 1.173 69.705 68.868 -0.560 0.000 1.001 14 T HN 0.222 nan 8.240 nan 0.000 0.476 15 P HA 0.370 nan 4.420 nan 0.000 0.271 15 P C -0.852 176.127 177.300 -0.535 0.000 1.216 15 P CA -0.272 62.559 63.100 -0.449 0.000 0.771 15 P CB 0.367 31.931 31.700 -0.225 0.000 0.864 16 F N 1.080 121.004 119.950 -0.043 0.000 2.598 16 F HA 0.376 4.903 4.527 0.000 0.000 0.327 16 F C 0.877 176.658 175.800 -0.032 0.000 1.057 16 F CA -0.662 57.319 58.000 -0.031 0.000 0.957 16 F CB 0.770 39.757 39.000 -0.022 0.000 1.278 16 F HN 0.267 nan 8.300 nan 0.000 0.484 17 D N -0.490 120.028 120.400 0.196 0.000 2.506 17 D HA 0.193 4.832 4.640 -0.000 0.000 0.272 17 D C 0.830 177.172 176.300 0.070 0.000 1.214 17 D CA -0.424 53.630 54.000 0.090 0.000 1.067 17 D CB 0.226 41.063 40.800 0.061 0.000 1.117 17 D HN 0.383 nan 8.370 nan 0.000 0.578 18 Q N -1.411 118.409 119.800 0.033 0.000 2.297 18 Q HA -0.157 4.183 4.340 -0.000 0.000 0.208 18 Q C 1.200 177.207 176.000 0.011 0.000 0.981 18 Q CA 1.713 57.526 55.803 0.016 0.000 0.876 18 Q CB -0.170 28.572 28.738 0.007 0.000 0.921 18 Q HN 0.437 nan 8.270 nan 0.000 0.446 19 Q N -0.415 119.392 119.800 0.012 0.000 2.280 19 Q HA 0.154 4.494 4.340 -0.000 0.000 0.202 19 Q C -0.343 175.637 176.000 -0.033 0.000 0.903 19 Q CA 0.178 55.978 55.803 -0.006 0.000 0.948 19 Q CB 0.619 29.357 28.738 -0.000 0.000 1.058 19 Q HN 0.250 nan 8.270 nan 0.000 0.493 20 Q N -2.754 117.024 119.800 -0.036 0.000 2.424 20 Q HA -0.207 4.133 4.340 -0.000 0.000 0.234 20 Q C -0.356 175.531 176.000 -0.188 0.000 0.748 20 Q CA 0.977 56.673 55.803 -0.178 0.000 1.286 20 Q CB -2.154 26.445 28.738 -0.231 0.000 1.494 20 Q HN 0.406 nan 8.270 nan 0.000 0.683 21 A N 0.671 123.506 122.820 0.025 0.000 2.279 21 A HA 0.616 4.936 4.320 -0.000 0.000 0.303 21 A C 0.193 177.953 177.584 0.294 0.000 1.108 21 A CA -0.482 51.617 52.037 0.103 0.000 0.830 21 A CB 0.592 19.627 19.000 0.059 0.000 1.106 21 A HN 0.242 nan 8.150 nan 0.000 0.493 22 L N 0.926 122.318 121.223 0.282 0.000 2.540 22 L HA 0.118 4.458 4.340 -0.000 0.000 0.276 22 L C -0.104 176.820 176.870 0.090 0.000 1.212 22 L CA 0.509 55.472 54.840 0.205 0.000 0.893 22 L CB 0.185 42.306 42.059 0.102 0.000 1.138 22 L HN 0.636 nan 8.230 nan 0.000 0.491 23 D N 4.298 124.713 120.400 0.025 0.000 2.485 23 D HA 0.128 4.768 4.640 -0.000 0.000 0.221 23 D C 0.775 177.056 176.300 -0.033 0.000 1.112 23 D CA -0.175 53.825 54.000 -0.000 0.000 0.911 23 D CB 0.641 41.433 40.800 -0.014 0.000 1.019 23 D HN 0.633 nan 8.370 nan 0.000 0.516 24 K N 1.773 122.161 120.400 -0.019 0.000 2.063 24 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 24 K C 1.891 178.472 176.600 -0.030 0.000 1.048 24 K CA 1.407 57.677 56.287 -0.029 0.000 0.928 24 K CB 0.033 32.522 32.500 -0.019 0.000 0.713 24 K HN 0.383 nan 8.250 nan 0.000 0.442 25 A N 1.223 124.031 122.820 -0.021 0.000 1.908 25 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 25 A C 2.243 179.811 177.584 -0.026 0.000 1.181 25 A CA 2.017 54.043 52.037 -0.019 0.000 0.627 25 A CB -0.560 18.434 19.000 -0.011 0.000 0.818 25 A HN 0.198 nan 8.150 nan 0.000 0.445 26 S N -0.757 114.921 115.700 -0.035 0.000 2.406 26 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 26 S C 1.808 176.372 174.600 -0.061 0.000 1.020 26 S CA 1.129 59.300 58.200 -0.049 0.000 0.965 26 S CB -0.326 62.839 63.200 -0.058 0.000 0.798 26 S HN 0.494 nan 8.310 nan 0.000 0.488 27 L N 2.425 123.605 121.223 -0.071 0.000 2.046 27 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 27 L C 2.163 179.007 176.870 -0.044 0.000 1.077 27 L CA 1.715 56.509 54.840 -0.077 0.000 0.747 27 L CB -0.483 41.523 42.059 -0.088 0.000 0.896 27 L HN 0.113 nan 8.230 nan 0.000 0.432 28 R N -0.762 119.718 120.500 -0.033 0.000 2.081 28 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 28 R C 2.381 178.682 176.300 0.002 0.000 1.131 28 R CA 1.544 57.633 56.100 -0.018 0.000 0.960 28 R CB -0.437 29.853 30.300 -0.018 0.000 0.856 28 R HN 0.392 nan 8.270 nan 0.000 0.436 29 R N 0.478 120.978 120.500 -0.001 0.000 2.096 29 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 29 R C 2.281 178.616 176.300 0.058 0.000 1.127 29 R CA 1.073 57.184 56.100 0.018 0.000 0.968 29 R CB -0.387 29.904 30.300 -0.015 0.000 0.861 29 R HN 0.110 nan 8.270 nan 0.000 0.440 30 L N 0.571 121.812 121.223 0.030 0.000 2.093 30 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 30 L C 2.010 178.955 176.870 0.124 0.000 1.085 30 L CA 1.442 56.328 54.840 0.078 0.000 0.755 30 L CB -0.214 41.849 42.059 0.007 0.000 0.904 30 L HN -0.111 nan 8.230 nan 0.000 0.435 31 V N -0.515 119.435 119.914 0.060 0.000 2.295 31 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 31 V C 2.659 178.793 176.094 0.065 0.000 1.049 31 V CA 1.629 63.955 62.300 0.045 0.000 1.024 31 V CB -0.665 31.161 31.823 0.005 0.000 0.648 31 V HN 0.483 nan 8.190 nan 0.000 0.447 32 Q N -0.981 118.863 119.800 0.074 0.000 2.124 32 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 32 Q C 2.072 178.145 176.000 0.123 0.000 0.977 32 Q CA 1.673 57.522 55.803 0.076 0.000 0.850 32 Q CB -0.657 28.121 28.738 0.068 0.000 0.901 32 Q HN 0.651 nan 8.270 nan 0.000 0.429 33 F N 2.273 122.234 119.950 0.018 0.000 2.126 33 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 33 F C 1.832 177.670 175.800 0.063 0.000 1.096 33 F CA 1.238 59.262 58.000 0.040 0.000 1.255 33 F CB -0.241 38.785 39.000 0.043 0.000 0.997 33 F HN 0.108 nan 8.300 nan 0.000 0.479 34 N N 0.715 119.453 118.700 0.063 0.000 2.142 34 N HA -0.158 4.581 4.740 -0.000 0.000 0.186 34 N C 2.128 177.613 175.510 -0.040 0.000 1.023 34 N CA 1.804 54.845 53.050 -0.016 0.000 0.852 34 N CB -0.315 38.208 38.487 0.059 0.000 0.998 34 N HN 0.355 nan 8.380 nan 0.000 0.424 35 I N 1.592 122.154 120.570 -0.013 0.000 2.226 35 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 35 I C 2.167 178.260 176.117 -0.039 0.000 1.100 35 I CA 0.957 62.247 61.300 -0.016 0.000 1.374 35 I CB -0.192 37.804 38.000 -0.006 0.000 1.057 35 I HN 0.080 nan 8.210 nan 0.000 0.413 36 Q N 0.823 120.585 119.800 -0.064 0.000 2.224 36 Q HA -0.214 4.126 4.340 -0.000 0.000 0.203 36 Q C 1.852 177.778 176.000 -0.123 0.000 0.970 36 Q CA 1.204 56.955 55.803 -0.085 0.000 0.865 36 Q CB -0.364 28.328 28.738 -0.077 0.000 0.922 36 Q HN 0.722 nan 8.270 nan 0.000 0.445 37 Q N -0.888 118.817 119.800 -0.159 0.000 2.322 37 Q HA 0.290 4.630 4.340 -0.000 0.000 0.203 37 Q C 0.517 176.526 176.000 0.015 0.000 0.923 37 Q CA 0.485 56.242 55.803 -0.077 0.000 0.949 37 Q CB 0.152 28.886 28.738 -0.006 0.000 1.039 37 Q HN 0.244 nan 8.270 nan 0.000 0.496 38 G N 1.415 110.209 108.800 -0.011 0.000 2.147 38 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 38 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 38 G C -0.058 174.857 174.900 0.026 0.000 1.005 38 G CA 0.080 45.188 45.100 0.013 0.000 0.713 38 G HN 0.462 nan 8.290 nan 0.000 0.515 39 I N 0.580 121.163 120.570 0.021 0.000 2.754 39 I HA 0.259 4.429 4.170 -0.000 0.000 0.285 39 I C 1.211 177.352 176.117 0.040 0.000 1.166 39 I CA -0.101 61.219 61.300 0.035 0.000 1.417 39 I CB 0.632 38.657 38.000 0.042 0.000 1.382 39 I HN 0.136 nan 8.210 nan 0.000 0.588 40 D N 4.507 124.942 120.400 0.059 0.000 2.289 40 D HA 0.183 4.823 4.640 -0.000 0.000 0.207 40 D C 0.553 176.889 176.300 0.060 0.000 0.966 40 D CA 1.031 55.069 54.000 0.064 0.000 0.868 40 D CB 0.325 41.181 40.800 0.092 0.000 0.943 40 D HN 0.685 nan 8.370 nan 0.000 0.514 41 G N -0.682 108.155 108.800 0.061 0.000 2.342 41 G HA2 0.483 4.443 3.960 -0.000 0.000 0.297 41 G HA3 0.483 4.443 3.960 -0.000 0.000 0.297 41 G C -1.992 172.936 174.900 0.047 0.000 1.313 41 G CA -0.815 44.313 45.100 0.047 0.000 0.830 41 G HN 0.027 nan 8.290 nan 0.000 0.506 42 L N -0.112 121.136 121.223 0.042 0.000 2.401 42 L HA 0.522 4.862 4.340 -0.000 0.000 0.266 42 L C -1.460 175.467 176.870 0.094 0.000 0.991 42 L CA -0.966 53.904 54.840 0.051 0.000 0.818 42 L CB 2.646 44.725 42.059 0.032 0.000 1.321 42 L HN 0.633 nan 8.230 nan 0.000 0.413 43 Y N 3.069 123.322 120.300 -0.078 0.000 2.369 43 Y HA 0.584 5.134 4.550 0.000 0.000 0.337 43 Y C -0.735 175.129 175.900 -0.059 0.000 0.961 43 Y CA -0.618 57.423 58.100 -0.099 0.000 1.186 43 Y CB 1.179 39.500 38.460 -0.231 0.000 1.139 43 Y HN 0.211 nan 8.280 nan 0.000 0.494 44 V N 5.130 124.921 119.914 -0.205 0.000 2.513 44 V HA 0.623 4.742 4.120 -0.000 0.000 0.299 44 V C 0.658 176.611 176.094 -0.236 0.000 1.035 44 V CA -0.250 61.966 62.300 -0.140 0.000 0.889 44 V CB 1.192 33.038 31.823 0.039 0.000 0.988 44 V HN 1.012 nan 8.190 nan 0.000 0.440 45 G N 2.978 111.678 108.800 -0.166 0.000 2.136 45 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.242 45 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.242 45 G C 0.435 175.288 174.900 -0.080 0.000 0.989 45 G CA 0.120 45.139 45.100 -0.135 0.000 0.682 45 G HN 1.333 nan 8.290 nan 0.000 0.522 46 G N -0.525 108.188 108.800 -0.145 0.000 2.543 46 G HA2 0.582 4.542 3.960 -0.000 0.000 0.267 46 G HA3 0.582 4.542 3.960 -0.000 0.000 0.267 46 G C 1.319 176.135 174.900 -0.141 0.000 1.406 46 G CA 0.952 45.946 45.100 -0.177 0.000 1.048 46 G HN 0.639 nan 8.290 nan 0.000 0.548 47 S N -0.573 115.161 115.700 0.057 0.000 2.365 47 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 47 S C 2.473 177.006 174.600 -0.111 0.000 1.039 47 S CA 2.080 60.390 58.200 0.182 0.000 1.033 47 S CB -0.588 62.819 63.200 0.345 0.000 0.887 47 S HN 0.601 nan 8.310 nan 0.000 0.447 48 T N 1.266 115.652 114.554 -0.280 0.000 2.881 48 T HA -0.022 4.328 4.350 -0.000 0.000 0.270 48 T C 1.751 176.010 174.700 -0.734 0.000 1.068 48 T CA 1.213 62.814 62.100 -0.831 0.000 1.131 48 T CB -0.477 68.163 68.868 -0.380 0.000 0.871 48 T HN 0.562 nan 8.240 nan 0.000 0.479 49 G N 0.416 108.982 108.800 -0.390 0.000 3.088 49 G HA2 0.139 4.099 3.960 -0.000 0.000 0.212 49 G HA3 0.139 4.099 3.960 -0.000 0.000 0.212 49 G C 0.194 174.964 174.900 -0.217 0.000 1.173 49 G CA -0.213 44.710 45.100 -0.296 0.000 0.779 49 G HN 0.566 nan 8.290 nan 0.000 0.540 50 E N -1.470 118.597 120.200 -0.221 0.000 2.476 50 E HA -0.301 4.049 4.350 -0.000 0.000 0.251 50 E C 1.722 178.340 176.600 0.029 0.000 1.130 50 E CA 0.060 56.478 56.400 0.031 0.000 0.736 50 E CB -1.369 28.447 29.700 0.194 0.000 1.298 50 E HN 0.518 nan 8.360 nan 0.000 0.400 51 A N -0.244 122.472 122.820 -0.173 0.000 1.978 51 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 51 A C 1.431 178.845 177.584 -0.283 0.000 1.170 51 A CA 1.398 53.258 52.037 -0.295 0.000 0.636 51 A CB -0.359 18.341 19.000 -0.500 0.000 0.810 51 A HN 0.314 nan 8.150 nan 0.000 0.448 52 F N -0.618 119.442 119.950 0.184 0.000 2.802 52 F HA 0.107 4.633 4.527 -0.001 0.000 0.300 52 F C 1.444 177.335 175.800 0.152 0.000 1.168 52 F CA 0.708 58.824 58.000 0.193 0.000 1.433 52 F CB 0.059 39.187 39.000 0.213 0.000 1.115 52 F HN 0.143 nan 8.300 nan 0.000 0.582 53 V N -3.206 116.847 119.914 0.232 0.000 3.070 53 V HA 0.363 4.483 4.120 -0.000 0.000 0.345 53 V C -0.059 176.095 176.094 0.101 0.000 1.403 53 V CA -0.318 62.080 62.300 0.164 0.000 1.155 53 V CB -0.642 31.287 31.823 0.176 0.000 1.140 53 V HN 0.110 nan 8.190 nan 0.000 0.505 54 Q N 1.172 121.029 119.800 0.095 0.000 2.399 54 Q HA 0.669 5.009 4.340 -0.000 0.000 0.276 54 Q C -0.067 175.966 176.000 0.054 0.000 1.098 54 Q CA -0.301 55.544 55.803 0.069 0.000 0.827 54 Q CB 2.680 31.461 28.738 0.071 0.000 1.386 54 Q HN 0.648 nan 8.270 nan 0.000 0.443 55 S N 0.335 116.060 115.700 0.041 0.000 2.669 55 S HA 0.319 4.789 4.470 -0.000 0.000 0.270 55 S C 1.141 175.756 174.600 0.025 0.000 1.225 55 S CA -0.661 57.559 58.200 0.033 0.000 0.991 55 S CB 0.461 63.676 63.200 0.025 0.000 0.987 55 S HN 0.674 nan 8.310 nan 0.000 0.552 56 L N 1.196 122.431 121.223 0.019 0.000 2.046 56 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 56 L C 3.077 179.954 176.870 0.011 0.000 1.077 56 L CA 1.700 56.545 54.840 0.008 0.000 0.747 56 L CB -1.021 41.040 42.059 0.003 0.000 0.896 56 L HN 0.969 nan 8.230 nan 0.000 0.432 57 S N -0.671 115.040 115.700 0.017 0.000 2.399 57 S HA -0.194 4.276 4.470 -0.000 0.000 0.231 57 S C 1.678 176.293 174.600 0.025 0.000 1.022 57 S CA 1.107 59.321 58.200 0.024 0.000 0.983 57 S CB -0.364 62.849 63.200 0.022 0.000 0.803 57 S HN 0.481 nan 8.310 nan 0.000 0.480 58 E N 1.277 121.493 120.200 0.025 0.000 2.106 58 E HA -0.039 4.311 4.350 -0.000 0.000 0.192 58 E C 2.466 179.077 176.600 0.018 0.000 0.984 58 E CA 0.792 57.212 56.400 0.033 0.000 0.806 58 E CB -0.129 29.603 29.700 0.054 0.000 0.750 58 E HN 0.540 nan 8.360 nan 0.000 0.458 59 R N 0.884 121.387 120.500 0.005 0.000 2.092 59 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 59 R C 2.153 178.441 176.300 -0.020 0.000 1.119 59 R CA 1.108 57.194 56.100 -0.024 0.000 0.970 59 R CB -0.069 30.204 30.300 -0.045 0.000 0.864 59 R HN 0.223 nan 8.270 nan 0.000 0.440 60 E N 0.545 120.755 120.200 0.016 0.000 2.106 60 E HA -0.237 4.113 4.350 -0.000 0.000 0.192 60 E C 2.038 178.645 176.600 0.012 0.000 0.984 60 E CA 0.836 57.286 56.400 0.084 0.000 0.806 60 E CB -0.003 29.780 29.700 0.138 0.000 0.750 60 E HN 0.347 nan 8.360 nan 0.000 0.458 61 Q N 0.848 120.641 119.800 -0.011 0.000 2.084 61 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 61 Q C 2.243 178.192 176.000 -0.084 0.000 0.978 61 Q CA 1.343 57.115 55.803 -0.052 0.000 0.844 61 Q CB 0.146 28.874 28.738 -0.017 0.000 0.898 61 Q HN 0.123 nan 8.270 nan 0.000 0.426 62 V N 0.974 120.854 119.914 -0.057 0.000 2.307 62 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 62 V C 2.339 178.404 176.094 -0.047 0.000 1.045 62 V CA 1.509 63.774 62.300 -0.059 0.000 1.024 62 V CB -0.510 31.278 31.823 -0.059 0.000 0.651 62 V HN 0.398 nan 8.190 nan 0.000 0.449 63 L N -0.138 121.058 121.223 -0.045 0.000 2.012 63 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 63 L C 2.613 179.465 176.870 -0.031 0.000 1.073 63 L CA 2.281 57.151 54.840 0.049 0.000 0.748 63 L CB -0.632 41.409 42.059 -0.030 0.000 0.891 63 L HN 0.441 nan 8.230 nan 0.000 0.431 64 E N 0.749 120.651 120.200 -0.497 0.000 2.051 64 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 64 E C 2.293 178.709 176.600 -0.308 0.000 0.991 64 E CA 1.316 57.242 56.400 -0.790 0.000 0.799 64 E CB -0.042 29.113 29.700 -0.908 0.000 0.748 64 E HN 0.452 nan 8.360 nan 0.000 0.449 65 I N 0.375 120.832 120.570 -0.188 0.000 2.252 65 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 65 I C 2.324 178.392 176.117 -0.082 0.000 1.102 65 I CA 0.607 61.840 61.300 -0.111 0.000 1.385 65 I CB -0.088 37.863 38.000 -0.082 0.000 1.064 65 I HN 0.086 nan 8.210 nan 0.000 0.414 66 V N 1.071 120.954 119.914 -0.051 0.000 2.407 66 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 66 V C 2.721 178.749 176.094 -0.111 0.000 1.055 66 V CA 1.925 64.200 62.300 -0.042 0.000 1.049 66 V CB -1.006 30.836 31.823 0.032 0.000 0.662 66 V HN 0.487 nan 8.190 nan 0.000 0.455 67 A N -0.069 122.668 122.820 -0.139 0.000 1.902 67 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 67 A C 2.162 179.664 177.584 -0.136 0.000 1.181 67 A CA 1.900 53.800 52.037 -0.228 0.000 0.623 67 A CB -0.474 18.442 19.000 -0.139 0.000 0.818 67 A HN 0.640 nan 8.150 nan 0.000 0.443 68 E N -0.353 119.787 120.200 -0.100 0.000 2.085 68 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 68 E C 1.905 178.468 176.600 -0.063 0.000 0.994 68 E CA 1.227 57.585 56.400 -0.070 0.000 0.801 68 E CB -0.143 29.518 29.700 -0.064 0.000 0.743 68 E HN 0.564 nan 8.360 nan 0.000 0.453 69 E N -0.112 120.048 120.200 -0.066 0.000 2.112 69 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 69 E C 1.498 178.065 176.600 -0.055 0.000 0.979 69 E CA 1.029 57.398 56.400 -0.051 0.000 0.814 69 E CB 0.228 29.903 29.700 -0.041 0.000 0.762 69 E HN 0.236 nan 8.360 nan 0.000 0.460 70 A N 0.521 123.290 122.820 -0.083 0.000 2.456 70 A HA 0.096 4.416 4.320 -0.000 0.000 0.237 70 A C 0.961 178.479 177.584 -0.110 0.000 1.217 70 A CA -0.341 51.644 52.037 -0.086 0.000 0.962 70 A CB 0.205 19.155 19.000 -0.082 0.000 1.079 70 A HN -0.025 nan 8.150 nan 0.000 0.536 71 K N 0.455 120.770 120.400 -0.141 0.000 2.511 71 K HA 0.264 4.584 4.320 -0.000 0.000 0.280 71 K C 1.261 177.811 176.600 -0.083 0.000 1.008 71 K CA 1.216 57.416 56.287 -0.143 0.000 1.050 71 K CB -0.109 32.309 32.500 -0.137 0.000 0.889 71 K HN 0.845 nan 8.250 nan 0.000 0.484 72 G N 3.753 112.510 108.800 -0.071 0.000 2.268 72 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.240 72 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.240 72 G C 0.893 175.774 174.900 -0.033 0.000 1.010 72 G CA 0.317 45.392 45.100 -0.042 0.000 0.618 72 G HN 0.628 nan 8.290 nan 0.000 0.516 73 K N 0.189 120.565 120.400 -0.039 0.000 2.168 73 K HA 0.380 4.700 4.320 -0.000 0.000 0.201 73 K C 1.540 178.128 176.600 -0.021 0.000 1.049 73 K CA 1.465 57.736 56.287 -0.027 0.000 0.974 73 K CB 0.201 32.684 32.500 -0.028 0.000 0.792 73 K HN 0.849 nan 8.250 nan 0.000 0.463 74 I N -2.055 118.497 120.570 -0.030 0.000 3.191 74 I HA 0.407 4.577 4.170 -0.000 0.000 0.313 74 I C -0.861 175.241 176.117 -0.025 0.000 1.193 74 I CA -1.323 59.968 61.300 -0.015 0.000 0.968 74 I CB 1.743 39.738 38.000 -0.008 0.000 1.262 74 I HN -0.370 nan 8.210 nan 0.000 0.456 75 K N 2.716 123.119 120.400 0.004 0.000 2.326 75 K HA 0.532 4.852 4.320 -0.000 0.000 0.275 75 K C -0.923 175.673 176.600 -0.006 0.000 1.018 75 K CA -0.114 56.180 56.287 0.012 0.000 0.962 75 K CB 0.902 33.438 32.500 0.060 0.000 0.953 75 K HN 0.548 nan 8.250 nan 0.000 0.475 76 L N 4.337 125.545 121.223 -0.026 0.000 2.376 76 L HA 0.497 4.837 4.340 -0.000 0.000 0.275 76 L C -0.275 176.722 176.870 0.212 0.000 0.987 76 L CA -0.576 54.245 54.840 -0.032 0.000 0.828 76 L CB 1.282 43.059 42.059 -0.471 0.000 1.249 76 L HN 0.397 nan 8.230 nan 0.000 0.409 77 I N 2.846 123.570 120.570 0.257 0.000 2.406 77 I HA 0.524 4.694 4.170 -0.000 0.000 0.290 77 I C 0.150 176.303 176.117 0.060 0.000 0.999 77 I CA -0.485 60.935 61.300 0.201 0.000 1.124 77 I CB 2.060 40.149 38.000 0.149 0.000 1.289 77 I HN 0.619 nan 8.210 nan 0.000 0.441 78 A N 5.875 128.642 122.820 -0.089 0.000 2.249 78 A HA 0.277 4.597 4.320 -0.000 0.000 0.314 78 A C -0.373 176.979 177.584 -0.386 0.000 1.290 78 A CA -0.401 51.364 52.037 -0.452 0.000 0.893 78 A CB 0.055 18.495 19.000 -0.934 0.000 1.165 78 A HN 0.801 nan 8.150 nan 0.000 0.530 79 H N 3.760 122.508 119.070 -0.536 0.000 2.864 79 H HA 0.273 4.829 4.556 -0.000 0.000 0.281 79 H C 0.454 175.652 175.328 -0.215 0.000 1.093 79 H CA 0.597 56.416 56.048 -0.381 0.000 1.453 79 H CB 1.192 30.697 29.762 -0.429 0.000 1.462 79 H HN 0.532 nan 8.280 nan 0.000 0.480 80 V N 2.617 122.171 119.914 -0.600 0.000 3.578 80 V HA 0.376 4.496 4.120 -0.000 0.000 0.290 80 V C 1.146 176.993 176.094 -0.412 0.000 1.376 80 V CA 0.085 62.132 62.300 -0.421 0.000 1.083 80 V CB -0.070 31.584 31.823 -0.282 0.000 0.911 80 V HN 0.683 nan 8.190 nan 0.000 0.433 81 G N -0.091 108.265 108.800 -0.741 0.000 2.380 81 G HA2 0.392 4.352 3.960 -0.000 0.000 0.242 81 G HA3 0.392 4.352 3.960 -0.000 0.000 0.242 81 G C -0.324 174.694 174.900 0.197 0.000 1.298 81 G CA 0.473 45.469 45.100 -0.173 0.000 0.878 81 G HN 0.542 nan 8.290 nan 0.000 0.542 82 C N 0.911 120.339 119.300 0.214 0.000 3.213 82 C HA 0.364 4.824 4.460 -0.000 0.000 0.319 82 C C 1.671 176.698 174.990 0.061 0.000 1.386 82 C CA -0.547 58.607 59.018 0.228 0.000 1.494 82 C CB 1.512 29.319 27.740 0.113 0.000 1.905 82 C HN 0.551 nan 8.230 nan 0.000 0.456 83 V N 1.174 121.013 119.914 -0.125 0.000 2.358 83 V HA -0.076 4.044 4.120 -0.000 0.000 0.246 83 V C 1.355 177.361 176.094 -0.146 0.000 1.047 83 V CA 1.994 64.124 62.300 -0.282 0.000 1.035 83 V CB -0.368 31.263 31.823 -0.320 0.000 0.658 83 V HN 0.885 nan 8.190 nan 0.000 0.452 84 S N -0.307 115.370 115.700 -0.038 0.000 2.548 84 S HA 0.043 4.513 4.470 -0.000 0.000 0.277 84 S C 1.328 175.956 174.600 0.047 0.000 1.315 84 S CA 0.153 58.345 58.200 -0.014 0.000 1.050 84 S CB 1.313 64.512 63.200 -0.002 0.000 0.918 84 S HN 0.463 nan 8.310 nan 0.000 0.497 85 T N 5.088 119.665 114.554 0.038 0.000 2.777 85 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 85 T C 2.138 176.790 174.700 -0.080 0.000 1.040 85 T CA 1.376 63.478 62.100 0.004 0.000 1.141 85 T CB -0.573 68.284 68.868 -0.018 0.000 0.868 85 T HN 0.796 nan 8.240 nan 0.000 0.444 86 A N 1.786 124.572 122.820 -0.056 0.000 1.902 86 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 86 A C 2.203 179.753 177.584 -0.058 0.000 1.181 86 A CA 1.561 53.562 52.037 -0.060 0.000 0.623 86 A CB -0.506 18.467 19.000 -0.045 0.000 0.818 86 A HN 0.566 nan 8.150 nan 0.000 0.443 87 E N -0.066 120.111 120.200 -0.039 0.000 2.072 87 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 87 E C 2.295 178.860 176.600 -0.059 0.000 0.985 87 E CA 1.261 57.641 56.400 -0.034 0.000 0.801 87 E CB -0.188 29.509 29.700 -0.006 0.000 0.750 87 E HN 0.587 nan 8.360 nan 0.000 0.452 88 S N 1.273 116.931 115.700 -0.070 0.000 2.368 88 S HA -0.208 4.262 4.470 -0.000 0.000 0.225 88 S C 1.954 176.463 174.600 -0.152 0.000 1.030 88 S CA 1.110 59.236 58.200 -0.123 0.000 0.999 88 S CB -0.195 62.898 63.200 -0.178 0.000 0.844 88 S HN 0.280 nan 8.310 nan 0.000 0.459 89 Q N 0.718 120.431 119.800 -0.144 0.000 2.124 89 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 89 Q C 2.416 178.347 176.000 -0.114 0.000 0.977 89 Q CA 1.171 56.894 55.803 -0.133 0.000 0.850 89 Q CB -0.188 28.480 28.738 -0.117 0.000 0.901 89 Q HN 0.610 nan 8.270 nan 0.000 0.429 90 Q N 0.784 120.525 119.800 -0.097 0.000 2.050 90 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 90 Q C 2.058 177.992 176.000 -0.110 0.000 0.980 90 Q CA 1.051 56.800 55.803 -0.090 0.000 0.840 90 Q CB -0.008 28.691 28.738 -0.065 0.000 0.898 90 Q HN 0.397 nan 8.270 nan 0.000 0.424 91 L N 0.172 121.325 121.223 -0.116 0.000 2.093 91 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 91 L C 2.592 179.354 176.870 -0.180 0.000 1.085 91 L CA 0.866 55.622 54.840 -0.140 0.000 0.755 91 L CB -0.628 41.342 42.059 -0.147 0.000 0.904 91 L HN 0.304 nan 8.230 nan 0.000 0.435 92 A N 0.225 122.944 122.820 -0.168 0.000 1.902 92 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 92 A C 2.543 180.035 177.584 -0.154 0.000 1.181 92 A CA 1.744 53.684 52.037 -0.161 0.000 0.623 92 A CB -0.654 18.264 19.000 -0.138 0.000 0.818 92 A HN 0.394 nan 8.150 nan 0.000 0.443 93 A N -0.710 122.021 122.820 -0.147 0.000 1.933 93 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 93 A C 2.429 179.880 177.584 -0.222 0.000 1.175 93 A CA 2.034 53.981 52.037 -0.149 0.000 0.628 93 A CB -0.756 18.169 19.000 -0.125 0.000 0.814 93 A HN 0.446 nan 8.150 nan 0.000 0.444 94 S N -0.214 115.320 115.700 -0.277 0.000 2.368 94 S HA 0.017 4.487 4.470 -0.000 0.000 0.224 94 S C 2.321 176.564 174.600 -0.594 0.000 1.029 94 S CA 1.021 58.911 58.200 -0.516 0.000 0.988 94 S CB -0.429 62.551 63.200 -0.367 0.000 0.838 94 S HN 0.789 nan 8.310 nan 0.000 0.462 95 A N 1.828 124.462 122.820 -0.310 0.000 1.908 95 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 95 A C 2.022 179.607 177.584 0.000 0.000 1.181 95 A CA 1.948 53.859 52.037 -0.211 0.000 0.627 95 A CB -0.527 18.276 19.000 -0.328 0.000 0.818 95 A HN 0.491 nan 8.150 nan 0.000 0.445 96 K N -0.657 119.698 120.400 -0.075 0.000 2.057 96 K HA -0.132 4.187 4.320 -0.000 0.000 0.206 96 K C 2.309 178.890 176.600 -0.032 0.000 1.050 96 K CA 1.355 57.632 56.287 -0.017 0.000 0.935 96 K CB -0.189 32.283 32.500 -0.046 0.000 0.715 96 K HN 0.403 nan 8.250 nan 0.000 0.439 97 R N -0.636 119.767 120.500 -0.161 0.000 2.096 97 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 97 R C 1.678 177.955 176.300 -0.038 0.000 1.127 97 R CA 1.601 57.597 56.100 -0.173 0.000 0.968 97 R CB -0.142 29.951 30.300 -0.344 0.000 0.861 97 R HN 0.267 nan 8.270 nan 0.000 0.440 98 Y N -0.831 119.538 120.300 0.115 0.000 2.583 98 Y HA 0.220 4.770 4.550 -0.001 0.000 0.293 98 Y C 1.451 177.429 175.900 0.130 0.000 1.157 98 Y CA 0.576 58.770 58.100 0.155 0.000 1.315 98 Y CB -0.002 38.631 38.460 0.288 0.000 1.021 98 Y HN 0.328 nan 8.280 nan 0.000 0.536 99 G N -0.714 108.238 108.800 0.253 0.000 2.165 99 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.226 99 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.226 99 G C -0.150 174.804 174.900 0.090 0.000 1.035 99 G CA -0.557 44.621 45.100 0.130 0.000 0.744 99 G HN 0.128 nan 8.290 nan 0.000 0.501 100 F N 0.576 120.555 119.950 0.049 0.000 2.444 100 F HA 0.342 4.869 4.527 -0.000 0.000 0.331 100 F C 1.650 177.463 175.800 0.022 0.000 1.167 100 F CA 0.021 58.041 58.000 0.033 0.000 1.262 100 F CB 0.603 39.618 39.000 0.024 0.000 1.196 100 F HN 0.052 nan 8.300 nan 0.000 0.583 101 D N 0.734 121.229 120.400 0.158 0.000 2.289 101 D HA 0.215 4.855 4.640 -0.000 0.000 0.207 101 D C 0.288 176.667 176.300 0.131 0.000 0.966 101 D CA 0.822 54.888 54.000 0.110 0.000 0.868 101 D CB 0.400 41.245 40.800 0.075 0.000 0.943 101 D HN 0.407 nan 8.370 nan 0.000 0.514 102 A N 0.087 123.012 122.820 0.174 0.000 2.586 102 A HA 0.528 4.848 4.320 -0.000 0.000 0.290 102 A C -1.003 176.642 177.584 0.103 0.000 1.086 102 A CA -0.676 51.440 52.037 0.132 0.000 0.665 102 A CB 1.229 20.314 19.000 0.141 0.000 1.279 102 A HN -0.047 nan 8.150 nan 0.000 0.423 103 V N -1.974 117.975 119.914 0.058 0.000 3.113 103 V HA 1.006 5.126 4.120 -0.000 0.000 0.316 103 V C -0.101 176.024 176.094 0.052 0.000 1.125 103 V CA -0.247 62.047 62.300 -0.010 0.000 1.026 103 V CB 1.522 33.316 31.823 -0.047 0.000 1.080 103 V HN 1.759 nan 8.190 nan 0.000 0.444 104 S N 0.345 116.059 115.700 0.023 0.000 2.550 104 S HA 0.896 5.366 4.470 -0.000 0.000 0.270 104 S C -0.950 173.753 174.600 0.172 0.000 1.145 104 S CA 0.090 58.406 58.200 0.194 0.000 0.852 104 S CB 1.686 65.081 63.200 0.325 0.000 1.119 104 S HN 2.289 nan 8.310 nan 0.000 0.465 105 A N 2.385 125.454 122.820 0.416 0.000 2.437 105 A HA 0.681 5.001 4.320 -0.000 0.000 0.293 105 A C -0.563 177.437 177.584 0.693 0.000 1.038 105 A CA -0.519 51.739 52.037 0.368 0.000 0.708 105 A CB 1.298 20.352 19.000 0.090 0.000 1.251 105 A HN 1.174 nan 8.150 nan 0.000 0.409 106 V N 2.797 123.233 119.914 0.870 0.000 2.811 106 V HA 0.473 4.593 4.120 -0.000 0.000 0.302 106 V C 0.993 177.345 176.094 0.431 0.000 1.063 106 V CA 0.674 63.315 62.300 0.568 0.000 1.088 106 V CB 1.273 33.357 31.823 0.435 0.000 0.982 106 V HN 1.334 nan 8.190 nan 0.000 0.485 107 T N 6.415 121.175 114.554 0.343 0.000 2.871 107 T HA 0.200 4.550 4.350 -0.000 0.000 0.296 107 T C -2.355 172.535 174.700 0.315 0.000 0.998 107 T CA -0.947 61.337 62.100 0.307 0.000 1.162 107 T CB 0.464 69.411 68.868 0.131 0.000 0.947 107 T HN 0.738 nan 8.240 nan 0.000 0.536 108 P HA 0.114 nan 4.420 nan 0.000 0.264 108 P C -0.389 177.105 177.300 0.323 0.000 1.183 108 P CA -0.157 62.940 63.100 -0.005 0.000 0.763 108 P CB 0.153 31.523 31.700 -0.550 0.000 0.807 109 F N 1.556 121.638 119.950 0.219 0.000 2.629 109 F HA 0.534 5.061 4.527 -0.000 0.000 0.386 109 F C 1.615 177.524 175.800 0.181 0.000 1.135 109 F CA -1.288 56.812 58.000 0.166 0.000 1.116 109 F CB -0.398 38.607 39.000 0.009 0.000 1.426 109 F HN 0.429 nan 8.300 nan 0.000 0.501 110 Y N -1.193 119.210 120.300 0.172 0.000 2.739 110 Y HA -0.378 4.172 4.550 0.001 0.000 0.479 110 Y C -0.419 175.322 175.900 -0.264 0.000 1.139 110 Y CA 1.455 59.490 58.100 -0.109 0.000 2.846 110 Y CB -1.786 36.493 38.460 -0.302 0.000 1.043 110 Y HN 0.535 nan 8.280 nan 0.000 0.581 111 Y N 3.753 123.976 120.300 -0.129 0.000 2.346 111 Y HA 0.373 4.923 4.550 -0.001 0.000 0.330 111 Y C -1.975 173.479 175.900 -0.743 0.000 1.178 111 Y CA -2.084 55.697 58.100 -0.532 0.000 1.331 111 Y CB -0.096 37.883 38.460 -0.801 0.000 1.253 111 Y HN -0.010 nan 8.280 nan 0.000 0.529 112 P HA 0.127 nan 4.420 nan 0.000 0.268 112 P C -1.115 176.013 177.300 -0.286 0.000 1.541 112 P CA -0.056 62.904 63.100 -0.234 0.000 1.093 112 P CB -0.313 31.312 31.700 -0.126 0.000 1.551 113 F N 0.738 120.702 119.950 0.024 0.000 2.375 113 F HA 0.309 4.836 4.527 -0.001 0.000 0.333 113 F C 1.602 177.392 175.800 -0.017 0.000 1.104 113 F CA -0.400 57.529 58.000 -0.119 0.000 1.149 113 F CB 0.594 39.322 39.000 -0.453 0.000 1.190 113 F HN 0.152 nan 8.300 nan 0.000 0.533 114 S N 1.982 117.794 115.700 0.186 0.000 2.624 114 S HA 0.121 4.591 4.470 -0.000 0.000 0.263 114 S C 0.815 175.599 174.600 0.306 0.000 1.287 114 S CA -0.511 57.815 58.200 0.210 0.000 0.990 114 S CB 0.328 63.613 63.200 0.142 0.000 0.950 114 S HN 0.587 nan 8.310 nan 0.000 0.561 115 F N 1.036 121.116 119.950 0.216 0.000 2.171 115 F HA -0.013 4.515 4.527 0.000 0.000 0.300 115 F C 2.393 178.312 175.800 0.200 0.000 1.090 115 F CA 1.897 60.049 58.000 0.253 0.000 1.293 115 F CB -0.548 38.547 39.000 0.159 0.000 1.013 115 F HN 0.943 nan 8.300 nan 0.000 0.486 116 E N 0.118 120.339 120.200 0.034 0.000 2.110 116 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 116 E C 1.996 178.534 176.600 -0.103 0.000 0.988 116 E CA 1.626 57.979 56.400 -0.080 0.000 0.804 116 E CB -0.186 29.527 29.700 0.022 0.000 0.745 116 E HN 0.603 nan 8.360 nan 0.000 0.458 117 E N -0.522 119.639 120.200 -0.065 0.000 2.106 117 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 117 E C 2.184 178.666 176.600 -0.196 0.000 0.984 117 E CA 0.805 57.124 56.400 -0.135 0.000 0.806 117 E CB -0.106 29.516 29.700 -0.129 0.000 0.750 117 E HN 0.415 nan 8.360 nan 0.000 0.458 118 H N -0.031 118.988 119.070 -0.084 0.000 2.353 118 H HA -0.093 4.463 4.556 -0.000 0.000 0.300 118 H C 2.366 177.718 175.328 0.040 0.000 1.090 118 H CA 1.124 57.156 56.048 -0.027 0.000 1.327 118 H CB -0.381 29.435 29.762 0.090 0.000 1.383 118 H HN 0.273 nan 8.280 nan 0.000 0.508 119 C N 0.874 120.134 119.300 -0.067 0.000 2.432 119 C HA -0.117 4.342 4.460 -0.000 0.000 0.277 119 C C 2.435 177.442 174.990 0.028 0.000 1.249 119 C CA 0.860 59.836 59.018 -0.071 0.000 1.725 119 C CB -0.539 27.023 27.740 -0.297 0.000 2.028 119 C HN 0.550 nan 8.230 nan 0.000 0.477 120 D N -0.872 119.512 120.400 -0.025 0.000 2.178 120 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 120 D C 1.747 178.035 176.300 -0.020 0.000 0.974 120 D CA 1.278 55.263 54.000 -0.025 0.000 0.841 120 D CB -0.568 40.202 40.800 -0.049 0.000 0.953 120 D HN 0.655 nan 8.370 nan 0.000 0.478 121 H N -0.464 118.519 119.070 -0.144 0.000 2.321 121 H HA -0.156 4.400 4.556 -0.000 0.000 0.300 121 H C 1.680 176.882 175.328 -0.211 0.000 1.087 121 H CA 1.702 57.609 56.048 -0.235 0.000 1.319 121 H CB -0.302 29.246 29.762 -0.356 0.000 1.379 121 H HN 0.113 nan 8.280 nan 0.000 0.501 122 Y N 0.540 120.832 120.300 -0.014 0.000 2.181 122 Y HA -0.122 4.428 4.550 0.000 0.000 0.288 122 Y C 2.780 178.631 175.900 -0.083 0.000 1.146 122 Y CA 1.548 59.617 58.100 -0.053 0.000 1.164 122 Y CB -0.188 38.287 38.460 0.025 0.000 0.982 122 Y HN 0.147 nan 8.280 nan 0.000 0.515 123 R N -0.373 120.174 120.500 0.078 0.000 2.091 123 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 123 R C 2.495 178.774 176.300 -0.036 0.000 1.136 123 R CA 1.224 57.336 56.100 0.020 0.000 0.959 123 R CB -0.674 29.630 30.300 0.006 0.000 0.856 123 R HN 0.332 nan 8.270 nan 0.000 0.437 124 A N 1.206 123.974 122.820 -0.087 0.000 1.902 124 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 124 A C 2.152 179.650 177.584 -0.142 0.000 1.181 124 A CA 1.211 53.178 52.037 -0.118 0.000 0.623 124 A CB -0.434 18.477 19.000 -0.149 0.000 0.818 124 A HN 0.183 nan 8.150 nan 0.000 0.443 125 I N -0.489 119.959 120.570 -0.203 0.000 2.315 125 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 125 I C 2.233 178.293 176.117 -0.095 0.000 1.117 125 I CA 1.061 62.247 61.300 -0.191 0.000 1.404 125 I CB -0.320 37.515 38.000 -0.274 0.000 1.071 125 I HN 0.282 nan 8.210 nan 0.000 0.419 126 I N 0.710 121.253 120.570 -0.045 0.000 2.208 126 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 126 I C 2.450 178.551 176.117 -0.026 0.000 1.097 126 I CA 1.506 62.801 61.300 -0.009 0.000 1.363 126 I CB -0.490 37.524 38.000 0.022 0.000 1.051 126 I HN 0.369 nan 8.210 nan 0.000 0.413 127 D N 0.719 121.096 120.400 -0.038 0.000 2.097 127 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 127 D C 2.076 178.348 176.300 -0.047 0.000 0.989 127 D CA 1.631 55.609 54.000 -0.038 0.000 0.827 127 D CB 0.150 40.924 40.800 -0.043 0.000 0.966 127 D HN 0.210 nan 8.370 nan 0.000 0.456 128 S N -0.139 115.522 115.700 -0.065 0.000 2.474 128 S HA 0.030 4.499 4.470 -0.000 0.000 0.235 128 S C 1.899 176.457 174.600 -0.070 0.000 0.997 128 S CA 0.670 58.826 58.200 -0.073 0.000 0.949 128 S CB 0.060 63.203 63.200 -0.095 0.000 0.766 128 S HN 0.447 nan 8.310 nan 0.000 0.517 129 A N 1.165 123.951 122.820 -0.058 0.000 2.119 129 A HA 0.094 4.414 4.320 -0.000 0.000 0.216 129 A C 0.826 178.393 177.584 -0.029 0.000 1.152 129 A CA 0.544 52.554 52.037 -0.045 0.000 0.708 129 A CB -0.417 18.567 19.000 -0.027 0.000 0.805 129 A HN 0.381 nan 8.150 nan 0.000 0.460 130 D N -2.080 118.304 120.400 -0.028 0.000 2.810 130 D HA -0.081 4.559 4.640 -0.000 0.000 0.224 130 D C 1.011 177.307 176.300 -0.008 0.000 1.222 130 D CA 1.940 55.928 54.000 -0.020 0.000 0.698 130 D CB -1.315 39.469 40.800 -0.027 0.000 0.961 130 D HN 1.141 nan 8.370 nan 0.000 0.403 131 G N -0.719 108.081 108.800 0.000 0.000 2.436 131 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.204 131 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.204 131 G C 0.084 174.996 174.900 0.020 0.000 1.026 131 G CA -0.153 44.952 45.100 0.010 0.000 0.658 131 G HN 0.466 nan 8.290 nan 0.000 0.499 132 L N 3.557 124.793 121.223 0.023 0.000 2.410 132 L HA 0.441 4.781 4.340 -0.000 0.000 0.273 132 L C -1.713 175.183 176.870 0.043 0.000 1.144 132 L CA -1.144 53.720 54.840 0.040 0.000 0.863 132 L CB 0.281 42.367 42.059 0.045 0.000 1.140 132 L HN 0.013 nan 8.230 nan 0.000 0.463 133 P HA 0.093 nan 4.420 nan 0.000 0.267 133 P C -0.574 176.771 177.300 0.075 0.000 1.200 133 P CA -0.319 62.816 63.100 0.059 0.000 0.772 133 P CB 0.529 32.269 31.700 0.066 0.000 0.855 134 M N 3.977 123.623 119.600 0.076 0.000 2.264 134 M HA 0.317 4.797 4.480 -0.000 0.000 0.352 134 M C -1.427 174.948 176.300 0.125 0.000 1.173 134 M CA -0.311 55.052 55.300 0.105 0.000 1.075 134 M CB 0.924 33.594 32.600 0.115 0.000 1.621 134 M HN -0.038 nan 8.290 nan 0.000 0.457 135 V N 6.416 126.438 119.914 0.179 0.000 2.293 135 V HA 0.342 4.462 4.120 -0.000 0.000 0.275 135 V C -0.296 175.943 176.094 0.242 0.000 1.021 135 V CA -0.908 61.519 62.300 0.212 0.000 0.815 135 V CB 0.835 32.826 31.823 0.280 0.000 1.025 135 V HN 0.755 nan 8.190 nan 0.000 0.448 136 V N 5.096 125.093 119.914 0.139 0.000 2.763 136 V HA 0.051 4.170 4.120 -0.000 0.000 0.306 136 V C -0.249 176.018 176.094 0.289 0.000 1.059 136 V CA 0.107 62.469 62.300 0.104 0.000 1.138 136 V CB 0.542 32.270 31.823 -0.159 0.000 0.940 136 V HN 0.719 nan 8.190 nan 0.000 0.489 137 Y N 5.134 125.582 120.300 0.247 0.000 2.376 137 Y HA 0.447 4.997 4.550 -0.000 0.000 0.326 137 Y C -0.180 175.823 175.900 0.171 0.000 0.970 137 Y CA -2.097 56.134 58.100 0.219 0.000 1.248 137 Y CB 1.109 39.768 38.460 0.331 0.000 1.117 137 Y HN 0.747 nan 8.280 nan 0.000 0.476 138 N N 6.353 125.246 118.700 0.322 0.000 2.457 138 N HA 0.333 5.073 4.740 -0.000 0.000 0.250 138 N C -1.239 174.279 175.510 0.013 0.000 0.982 138 N CA -0.111 53.003 53.050 0.107 0.000 0.941 138 N CB 0.401 38.941 38.487 0.087 0.000 1.120 138 N HN 0.721 nan 8.380 nan 0.000 0.505 139 I N 5.998 126.488 120.570 -0.133 0.000 2.854 139 I HA 0.335 4.505 4.170 -0.000 0.000 0.280 139 I C -1.828 174.225 176.117 -0.107 0.000 1.482 139 I CA -1.808 59.390 61.300 -0.170 0.000 0.884 139 I CB 1.313 39.079 38.000 -0.391 0.000 1.600 139 I HN 0.446 nan 8.210 nan 0.000 0.585 140 P HA -0.242 nan 4.420 nan 0.000 0.216 140 P C 1.447 178.745 177.300 -0.004 0.000 1.150 140 P CA 1.947 65.043 63.100 -0.007 0.000 0.843 140 P CB 0.202 31.915 31.700 0.021 0.000 0.787 141 A N -0.090 122.748 122.820 0.031 0.000 1.917 141 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 141 A C 2.424 179.999 177.584 -0.015 0.000 1.182 141 A CA 1.737 53.799 52.037 0.042 0.000 0.633 141 A CB -1.373 17.708 19.000 0.135 0.000 0.819 141 A HN 0.198 nan 8.150 nan 0.000 0.448 142 L N -0.792 120.393 121.223 -0.063 0.000 2.316 142 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 142 L C 2.834 179.570 176.870 -0.224 0.000 1.070 142 L CA 1.122 55.879 54.840 -0.140 0.000 0.820 142 L CB -0.341 41.622 42.059 -0.159 0.000 0.992 142 L HN 0.547 nan 8.230 nan 0.000 0.466 143 S N -0.339 115.247 115.700 -0.190 0.000 2.414 143 S HA 0.034 4.504 4.470 -0.000 0.000 0.227 143 S C 1.703 176.299 174.600 -0.006 0.000 1.022 143 S CA 0.747 58.872 58.200 -0.125 0.000 0.958 143 S CB 0.141 63.321 63.200 -0.033 0.000 0.797 143 S HN 0.511 nan 8.310 nan 0.000 0.493 144 G N 0.279 109.068 108.800 -0.018 0.000 2.179 144 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 144 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 144 G C 0.030 174.949 174.900 0.033 0.000 0.977 144 G CA 0.128 45.230 45.100 0.003 0.000 0.641 144 G HN 0.811 nan 8.290 nan 0.000 0.533 145 V N 1.414 121.356 119.914 0.047 0.000 2.348 145 V HA 0.393 4.513 4.120 -0.000 0.000 0.270 145 V C 0.444 176.552 176.094 0.024 0.000 1.037 145 V CA -0.264 62.071 62.300 0.057 0.000 0.872 145 V CB 1.302 33.157 31.823 0.055 0.000 1.002 145 V HN 0.294 nan 8.190 nan 0.000 0.464 146 K N 6.409 126.825 120.400 0.028 0.000 2.292 146 K HA 0.557 4.877 4.320 -0.000 0.000 0.270 146 K C -0.846 175.756 176.600 0.004 0.000 1.062 146 K CA -0.335 55.960 56.287 0.014 0.000 0.916 146 K CB 1.250 33.759 32.500 0.014 0.000 1.166 146 K HN 0.530 nan 8.250 nan 0.000 0.458 147 L N 2.221 123.440 121.223 -0.007 0.000 2.357 147 L HA 0.308 4.648 4.340 -0.000 0.000 0.273 147 L C 1.040 177.875 176.870 -0.059 0.000 1.080 147 L CA -0.643 54.176 54.840 -0.035 0.000 0.803 147 L CB 1.277 43.327 42.059 -0.015 0.000 1.174 147 L HN 0.645 nan 8.230 nan 0.000 0.443 148 T N -1.232 113.255 114.554 -0.111 0.000 2.847 148 T HA 0.205 4.555 4.350 -0.000 0.000 0.279 148 T C 0.859 175.497 174.700 -0.104 0.000 0.984 148 T CA -0.756 61.282 62.100 -0.103 0.000 0.988 148 T CB 1.287 70.079 68.868 -0.126 0.000 1.040 148 T HN 0.462 nan 8.240 nan 0.000 0.528 149 L N 0.677 121.848 121.223 -0.088 0.000 2.042 149 L HA -0.037 4.303 4.340 -0.000 0.000 0.210 149 L C 2.000 178.831 176.870 -0.065 0.000 1.076 149 L CA 1.983 56.779 54.840 -0.074 0.000 0.749 149 L CB -1.120 40.881 42.059 -0.096 0.000 0.893 149 L HN 0.724 nan 8.230 nan 0.000 0.432 150 D N -0.765 119.580 120.400 -0.091 0.000 2.149 150 D HA -0.215 4.425 4.640 -0.000 0.000 0.198 150 D C 2.163 178.385 176.300 -0.131 0.000 0.990 150 D CA 1.410 55.358 54.000 -0.087 0.000 0.839 150 D CB -0.058 40.682 40.800 -0.099 0.000 0.948 150 D HN 0.582 nan 8.370 nan 0.000 0.460 151 Q N -0.029 119.607 119.800 -0.274 0.000 2.123 151 Q HA -0.020 4.320 4.340 -0.000 0.000 0.199 151 Q C 2.499 178.468 176.000 -0.051 0.000 0.966 151 Q CA 0.581 56.086 55.803 -0.498 0.000 0.845 151 Q CB 0.116 28.329 28.738 -0.875 0.000 0.907 151 Q HN 0.337 nan 8.270 nan 0.000 0.439 152 I N 1.235 121.785 120.570 -0.033 0.000 2.226 152 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 152 I C 1.749 177.884 176.117 0.031 0.000 1.100 152 I CA 0.700 62.011 61.300 0.017 0.000 1.374 152 I CB -0.314 37.686 38.000 -0.001 0.000 1.057 152 I HN 0.226 nan 8.210 nan 0.000 0.413 153 N N 0.473 119.216 118.700 0.071 0.000 2.120 153 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 153 N C 1.857 177.439 175.510 0.119 0.000 1.024 153 N CA 1.796 54.946 53.050 0.167 0.000 0.852 153 N CB -0.652 37.944 38.487 0.182 0.000 1.003 153 N HN 0.296 nan 8.380 nan 0.000 0.424 154 T N 1.984 116.620 114.554 0.137 0.000 2.746 154 T HA 0.016 4.366 4.350 -0.000 0.000 0.267 154 T C 2.130 176.916 174.700 0.143 0.000 1.039 154 T CA 0.599 62.812 62.100 0.188 0.000 1.142 154 T CB -0.184 68.897 68.868 0.354 0.000 0.866 154 T HN 0.135 nan 8.240 nan 0.000 0.444 155 L N 1.365 122.676 121.223 0.148 0.000 2.017 155 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 155 L C 2.710 179.515 176.870 -0.108 0.000 1.073 155 L CA 1.130 55.964 54.840 -0.011 0.000 0.745 155 L CB -0.780 41.241 42.059 -0.063 0.000 0.894 155 L HN 0.259 nan 8.230 nan 0.000 0.432 156 V N -3.685 116.151 119.914 -0.130 0.000 3.305 156 V HA -0.073 4.047 4.120 -0.000 0.000 0.269 156 V C 1.878 177.874 176.094 -0.164 0.000 1.157 156 V CA 1.516 63.694 62.300 -0.203 0.000 1.157 156 V CB -1.113 30.493 31.823 -0.363 0.000 0.772 156 V HN 0.579 nan 8.190 nan 0.000 0.498 157 T N -2.265 112.244 114.554 -0.075 0.000 3.105 157 T HA 0.412 4.762 4.350 -0.000 0.000 0.253 157 T C 0.467 175.170 174.700 0.006 0.000 1.047 157 T CA -0.292 61.803 62.100 -0.008 0.000 0.944 157 T CB -0.370 68.538 68.868 0.066 0.000 1.016 157 T HN 0.396 nan 8.240 nan 0.000 0.544 158 L N 2.232 123.450 121.223 -0.010 0.000 2.456 158 L HA 0.300 4.640 4.340 -0.000 0.000 0.272 158 L C -2.165 174.707 176.870 0.004 0.000 1.189 158 L CA -2.118 52.724 54.840 0.002 0.000 0.846 158 L CB 0.144 42.200 42.059 -0.005 0.000 1.111 158 L HN -0.020 nan 8.230 nan 0.000 0.475 159 P HA 0.052 nan 4.420 nan 0.000 0.264 159 P C 0.639 177.947 177.300 0.013 0.000 1.193 159 P CA 0.714 63.821 63.100 0.012 0.000 0.763 159 P CB 0.764 32.471 31.700 0.012 0.000 0.810 160 G N 1.324 110.132 108.800 0.013 0.000 2.213 160 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.236 160 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.236 160 G C 0.017 174.930 174.900 0.022 0.000 0.991 160 G CA -0.252 44.860 45.100 0.019 0.000 0.629 160 G HN 0.525 nan 8.290 nan 0.000 0.517 161 V N 1.371 121.291 119.914 0.009 0.000 2.432 161 V HA 0.612 4.732 4.120 -0.000 0.000 0.271 161 V C 1.389 177.482 176.094 -0.002 0.000 1.046 161 V CA 0.879 63.180 62.300 0.001 0.000 0.945 161 V CB 1.343 33.140 31.823 -0.042 0.000 0.992 161 V HN 0.664 nan 8.190 nan 0.000 0.471 162 G N 3.035 111.846 108.800 0.018 0.000 3.228 162 G HA2 0.652 4.612 3.960 -0.000 0.000 0.245 162 G HA3 0.652 4.612 3.960 -0.000 0.000 0.245 162 G C 0.166 175.068 174.900 0.003 0.000 1.051 162 G CA 0.712 45.819 45.100 0.013 0.000 0.809 162 G HN 1.032 nan 8.290 nan 0.000 0.531 163 A N -0.676 122.153 122.820 0.015 0.000 2.566 163 A HA 0.720 5.040 4.320 -0.000 0.000 0.290 163 A C -2.420 175.185 177.584 0.036 0.000 1.071 163 A CA -0.590 51.450 52.037 0.005 0.000 0.658 163 A CB 1.294 20.343 19.000 0.083 0.000 1.285 163 A HN 0.797 nan 8.150 nan 0.000 0.427 164 L N 0.224 121.467 121.223 0.033 0.000 2.438 164 L HA 0.659 4.999 4.340 -0.000 0.000 0.270 164 L C -0.548 176.421 176.870 0.166 0.000 0.972 164 L CA -0.232 54.652 54.840 0.073 0.000 0.831 164 L CB 1.815 43.872 42.059 -0.004 0.000 1.273 164 L HN 0.714 nan 8.230 nan 0.000 0.405 165 K N 3.645 124.152 120.400 0.178 0.000 2.264 165 K HA 0.347 4.667 4.320 -0.000 0.000 0.277 165 K C -0.734 175.940 176.600 0.123 0.000 1.067 165 K CA -0.462 55.886 56.287 0.102 0.000 0.900 165 K CB 0.932 33.261 32.500 -0.286 0.000 1.124 165 K HN 0.708 nan 8.250 nan 0.000 0.469 166 Q N 3.192 123.045 119.800 0.089 0.000 2.503 166 Q HA 0.139 4.479 4.340 -0.000 0.000 0.227 166 Q C -1.177 174.829 176.000 0.010 0.000 1.109 166 Q CA -0.075 55.768 55.803 0.068 0.000 0.922 166 Q CB 0.900 29.672 28.738 0.056 0.000 1.249 166 Q HN 0.460 nan 8.270 nan 0.000 0.530 167 T N 2.519 117.061 114.554 -0.021 0.000 3.579 167 T HA 0.374 4.724 4.350 -0.000 0.000 0.328 167 T C -0.860 173.711 174.700 -0.214 0.000 1.481 167 T CA -0.131 61.798 62.100 -0.285 0.000 1.144 167 T CB -0.146 68.545 68.868 -0.294 0.000 1.205 167 T HN 0.418 nan 8.240 nan 0.000 0.812 168 S N 0.675 116.381 115.700 0.009 0.000 2.536 168 S HA 0.599 5.069 4.470 -0.000 0.000 0.271 168 S C 1.008 175.817 174.600 0.348 0.000 1.134 168 S CA -0.565 57.775 58.200 0.232 0.000 0.897 168 S CB 1.478 64.753 63.200 0.125 0.000 1.094 168 S HN 0.483 nan 8.310 nan 0.000 0.473 169 G N 1.512 110.517 108.800 0.342 0.000 3.141 169 G HA2 0.119 4.079 3.960 -0.000 0.000 0.218 169 G HA3 0.119 4.079 3.960 -0.000 0.000 0.218 169 G C 0.069 175.048 174.900 0.131 0.000 1.170 169 G CA -0.127 45.097 45.100 0.207 0.000 0.769 169 G HN 0.679 nan 8.290 nan 0.000 0.546 170 D N 1.085 121.562 120.400 0.129 0.000 2.402 170 D HA 0.135 4.775 4.640 -0.000 0.000 0.235 170 D C 1.411 177.779 176.300 0.113 0.000 1.226 170 D CA -0.311 53.755 54.000 0.110 0.000 0.918 170 D CB 0.478 41.335 40.800 0.094 0.000 1.043 170 D HN 0.075 nan 8.370 nan 0.000 0.506 171 L N 3.639 124.933 121.223 0.119 0.000 2.599 171 L HA -0.073 4.267 4.340 -0.000 0.000 0.230 171 L C 1.533 178.499 176.870 0.160 0.000 1.141 171 L CA 0.083 54.990 54.840 0.112 0.000 0.877 171 L CB -0.306 41.805 42.059 0.087 0.000 1.009 171 L HN 0.447 nan 8.230 nan 0.000 0.447 172 Y N 1.231 121.544 120.300 0.022 0.000 2.206 172 Y HA -0.213 4.337 4.550 -0.000 0.000 0.292 172 Y C 2.577 178.487 175.900 0.017 0.000 1.123 172 Y CA 1.475 59.584 58.100 0.014 0.000 1.142 172 Y CB -0.405 38.062 38.460 0.012 0.000 1.006 172 Y HN 0.155 nan 8.280 nan 0.000 0.518 173 Q N -0.505 119.271 119.800 -0.039 0.000 2.124 173 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 173 Q C 2.282 178.251 176.000 -0.052 0.000 0.977 173 Q CA 1.997 57.714 55.803 -0.144 0.000 0.850 173 Q CB -0.194 28.502 28.738 -0.071 0.000 0.901 173 Q HN 0.530 nan 8.270 nan 0.000 0.429 174 M N 0.704 120.314 119.600 0.016 0.000 2.108 174 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 174 M C 1.864 178.175 176.300 0.019 0.000 1.066 174 M CA 1.716 57.032 55.300 0.026 0.000 1.107 174 M CB -0.229 32.398 32.600 0.044 0.000 1.356 174 M HN 0.165 nan 8.290 nan 0.000 0.406 175 E N -0.228 119.995 120.200 0.037 0.000 2.106 175 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 175 E C 1.908 178.512 176.600 0.007 0.000 0.984 175 E CA 1.518 57.943 56.400 0.041 0.000 0.806 175 E CB -0.224 29.535 29.700 0.098 0.000 0.750 175 E HN 0.731 nan 8.360 nan 0.000 0.458 176 Q N 0.056 119.826 119.800 -0.050 0.000 2.124 176 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 176 Q C 2.442 178.409 176.000 -0.054 0.000 0.977 176 Q CA 1.383 57.126 55.803 -0.100 0.000 0.850 176 Q CB -0.052 28.537 28.738 -0.249 0.000 0.901 176 Q HN 0.357 nan 8.270 nan 0.000 0.429 177 I N 0.295 120.858 120.570 -0.011 0.000 2.252 177 I HA -0.256 3.913 4.170 -0.000 0.000 0.245 177 I C 2.518 178.694 176.117 0.099 0.000 1.102 177 I CA 0.888 62.240 61.300 0.086 0.000 1.385 177 I CB -0.142 37.903 38.000 0.075 0.000 1.064 177 I HN 0.102 nan 8.210 nan 0.000 0.414 178 R N 1.605 122.128 120.500 0.039 0.000 2.081 178 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 178 R C 2.279 178.579 176.300 -0.001 0.000 1.131 178 R CA 1.680 57.796 56.100 0.026 0.000 0.960 178 R CB -0.579 29.726 30.300 0.008 0.000 0.856 178 R HN 0.184 nan 8.270 nan 0.000 0.436 179 R N -0.109 120.378 120.500 -0.023 0.000 2.081 179 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 179 R C 1.951 178.188 176.300 -0.104 0.000 1.131 179 R CA 1.911 57.983 56.100 -0.046 0.000 0.960 179 R CB -0.264 30.015 30.300 -0.034 0.000 0.856 179 R HN 0.304 nan 8.270 nan 0.000 0.436 180 E N -0.379 119.710 120.200 -0.184 0.000 2.158 180 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 180 E C -0.275 175.961 176.600 -0.607 0.000 0.982 180 E CA 1.024 57.176 56.400 -0.412 0.000 0.823 180 E CB 0.314 29.682 29.700 -0.552 0.000 0.766 180 E HN 0.453 nan 8.360 nan 0.000 0.468 181 H N 0.017 119.073 119.070 -0.022 0.000 2.423 181 H HA 0.177 4.733 4.556 0.000 0.000 0.237 181 H C -1.960 173.353 175.328 -0.024 0.000 1.391 181 H CA -1.651 54.384 56.048 -0.021 0.000 1.453 181 H CB 1.110 30.858 29.762 -0.024 0.000 1.484 181 H HN 0.193 nan 8.280 nan 0.000 0.505 182 P HA -0.158 nan 4.420 nan 0.000 0.218 182 P C 0.520 177.832 177.300 0.019 0.000 1.146 182 P CA 1.215 64.325 63.100 0.016 0.000 0.813 182 P CB 0.586 32.285 31.700 -0.001 0.000 0.778 183 D N -1.025 119.394 120.400 0.031 0.000 2.369 183 D HA 0.081 4.721 4.640 -0.000 0.000 0.211 183 D C 0.818 177.118 176.300 0.002 0.000 1.077 183 D CA -0.304 53.704 54.000 0.014 0.000 0.842 183 D CB 0.205 41.015 40.800 0.015 0.000 0.947 183 D HN 0.155 nan 8.370 nan 0.000 0.509 184 L N 1.980 123.212 121.223 0.015 0.000 2.455 184 L HA 0.034 4.374 4.340 -0.000 0.000 0.272 184 L C -0.229 176.591 176.870 -0.084 0.000 1.174 184 L CA -0.032 54.790 54.840 -0.030 0.000 0.869 184 L CB 1.026 43.069 42.059 -0.026 0.000 1.130 184 L HN -0.303 nan 8.230 nan 0.000 0.474 185 V N 6.875 126.709 119.914 -0.133 0.000 2.439 185 V HA 0.134 4.254 4.120 -0.000 0.000 0.271 185 V C 0.007 175.894 176.094 -0.346 0.000 1.040 185 V CA -0.183 61.961 62.300 -0.260 0.000 1.002 185 V CB 0.793 32.443 31.823 -0.289 0.000 1.000 185 V HN 0.590 nan 8.190 nan 0.000 0.477 186 L N 7.873 128.889 121.223 -0.345 0.000 2.345 186 L HA 0.525 4.865 4.340 -0.000 0.000 0.274 186 L C -0.955 175.778 176.870 -0.228 0.000 0.999 186 L CA -0.283 54.415 54.840 -0.237 0.000 0.849 186 L CB 1.057 43.054 42.059 -0.102 0.000 1.220 186 L HN 0.506 nan 8.230 nan 0.000 0.422 187 Y N 3.012 123.306 120.300 -0.011 0.000 2.350 187 Y HA 0.322 4.872 4.550 0.000 0.000 0.340 187 Y C 0.755 176.652 175.900 -0.005 0.000 1.006 187 Y CA -0.381 57.715 58.100 -0.008 0.000 1.166 187 Y CB 0.620 39.040 38.460 -0.068 0.000 1.168 187 Y HN 0.648 nan 8.280 nan 0.000 0.502 188 N N 1.498 120.320 118.700 0.203 0.000 2.475 188 N HA 0.159 4.899 4.740 -0.000 0.000 0.267 188 N C 1.017 176.607 175.510 0.133 0.000 1.169 188 N CA 0.465 53.611 53.050 0.159 0.000 0.947 188 N CB 0.886 39.484 38.487 0.185 0.000 1.061 188 N HN 0.881 nan 8.380 nan 0.000 0.466 189 G N 2.235 111.050 108.800 0.025 0.000 2.545 189 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.212 189 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.212 189 G C -0.341 174.466 174.900 -0.154 0.000 1.144 189 G CA 0.215 45.235 45.100 -0.133 0.000 0.813 189 G HN 0.542 nan 8.290 nan 0.000 0.531 190 Y N 2.220 122.573 120.300 0.089 0.000 2.477 190 Y HA 0.279 4.829 4.550 -0.000 0.000 0.349 190 Y C 0.830 176.817 175.900 0.144 0.000 0.977 190 Y CA -1.649 56.504 58.100 0.088 0.000 1.214 190 Y CB 1.214 39.725 38.460 0.084 0.000 1.124 190 Y HN 0.033 nan 8.280 nan 0.000 0.521 191 D N 0.985 121.548 120.400 0.272 0.000 2.133 191 D HA -0.235 4.405 4.640 -0.000 0.000 0.195 191 D C 1.769 178.293 176.300 0.374 0.000 0.997 191 D CA 1.655 55.821 54.000 0.277 0.000 0.840 191 D CB 0.021 40.928 40.800 0.179 0.000 0.947 191 D HN 0.689 nan 8.370 nan 0.000 0.452 192 E N 1.143 121.509 120.200 0.277 0.000 2.463 192 E HA -0.152 4.198 4.350 -0.000 0.000 0.201 192 E C 1.668 178.385 176.600 0.196 0.000 1.045 192 E CA 0.592 57.113 56.400 0.203 0.000 0.872 192 E CB -0.488 29.276 29.700 0.106 0.000 0.797 192 E HN 0.581 nan 8.360 nan 0.000 0.538 193 I N -4.625 116.097 120.570 0.253 0.000 3.966 193 I HA 0.291 4.461 4.170 -0.000 0.000 0.324 193 I C 1.342 177.610 176.117 0.252 0.000 1.517 193 I CA -0.763 60.661 61.300 0.206 0.000 1.117 193 I CB -0.233 37.862 38.000 0.159 0.000 1.190 193 I HN -0.253 nan 8.210 nan 0.000 0.466 194 F N 3.193 123.255 119.950 0.187 0.000 2.045 194 F HA -0.332 4.195 4.527 -0.000 0.000 0.297 194 F C 2.523 178.404 175.800 0.134 0.000 1.114 194 F CA 2.638 60.753 58.000 0.192 0.000 1.207 194 F CB -0.246 38.941 39.000 0.313 0.000 0.964 194 F HN 0.234 nan 8.300 nan 0.000 0.486 195 A N -0.728 122.199 122.820 0.178 0.000 1.883 195 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 195 A C 2.362 179.922 177.584 -0.040 0.000 1.186 195 A CA 2.349 54.399 52.037 0.022 0.000 0.624 195 A CB -1.395 17.661 19.000 0.093 0.000 0.822 195 A HN 0.466 nan 8.150 nan 0.000 0.444 196 S N -0.575 115.135 115.700 0.017 0.000 2.402 196 S HA -0.030 4.440 4.470 -0.000 0.000 0.229 196 S C 2.015 176.608 174.600 -0.012 0.000 1.021 196 S CA 0.998 59.204 58.200 0.010 0.000 0.974 196 S CB -0.551 62.673 63.200 0.040 0.000 0.800 196 S HN 0.791 nan 8.310 nan 0.000 0.484 197 G N 1.709 110.495 108.800 -0.023 0.000 2.402 197 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.216 197 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.216 197 G C 1.316 176.152 174.900 -0.107 0.000 1.162 197 G CA 0.465 45.544 45.100 -0.035 0.000 0.777 197 G HN 0.427 nan 8.290 nan 0.000 0.539 198 L N -0.342 120.743 121.223 -0.231 0.000 2.046 198 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 198 L C 2.700 179.500 176.870 -0.116 0.000 1.077 198 L CA 0.517 55.219 54.840 -0.230 0.000 0.747 198 L CB -0.440 41.408 42.059 -0.351 0.000 0.896 198 L HN 0.217 nan 8.230 nan 0.000 0.432 199 L N 0.331 121.502 121.223 -0.086 0.000 2.083 199 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 199 L C 2.542 179.398 176.870 -0.023 0.000 1.083 199 L CA 1.934 56.748 54.840 -0.043 0.000 0.752 199 L CB -0.625 41.419 42.059 -0.025 0.000 0.899 199 L HN 0.145 nan 8.230 nan 0.000 0.433 200 A N -1.689 121.121 122.820 -0.017 0.000 2.066 200 A HA 0.324 4.644 4.320 -0.000 0.000 0.218 200 A C 1.900 179.486 177.584 0.003 0.000 1.157 200 A CA 1.235 53.277 52.037 0.008 0.000 0.670 200 A CB -0.496 18.520 19.000 0.027 0.000 0.804 200 A HN 0.674 nan 8.150 nan 0.000 0.453 201 G N -2.864 105.925 108.800 -0.019 0.000 3.246 201 G HA2 0.323 4.283 3.960 -0.000 0.000 0.218 201 G HA3 0.323 4.283 3.960 -0.000 0.000 0.218 201 G C 0.420 175.298 174.900 -0.037 0.000 0.978 201 G CA 0.077 45.165 45.100 -0.020 0.000 0.825 201 G HN 1.198 nan 8.290 nan 0.000 0.546 202 A N 1.195 123.984 122.820 -0.050 0.000 2.483 202 A HA 0.489 4.809 4.320 -0.000 0.000 0.238 202 A C 0.928 178.461 177.584 -0.086 0.000 1.070 202 A CA 1.161 53.159 52.037 -0.065 0.000 0.770 202 A CB 0.233 19.195 19.000 -0.063 0.000 1.008 202 A HN 0.674 nan 8.150 nan 0.000 0.497 203 D N -0.020 120.329 120.400 -0.086 0.000 2.501 203 D HA 0.443 5.083 4.640 -0.000 0.000 0.224 203 D C 0.384 176.669 176.300 -0.025 0.000 1.202 203 D CA 0.561 54.520 54.000 -0.068 0.000 0.829 203 D CB 0.061 40.818 40.800 -0.072 0.000 1.023 203 D HN 0.889 nan 8.370 nan 0.000 0.499 204 G N -1.784 107.027 108.800 0.019 0.000 2.341 204 G HA2 0.581 4.540 3.960 -0.000 0.000 0.299 204 G HA3 0.581 4.540 3.960 -0.000 0.000 0.299 204 G C -1.073 174.059 174.900 0.386 0.000 1.274 204 G CA -0.352 44.874 45.100 0.210 0.000 0.853 204 G HN 0.588 nan 8.290 nan 0.000 0.493 205 G N -1.313 107.840 108.800 0.589 0.000 2.601 205 G HA2 0.633 4.593 3.960 -0.000 0.000 0.291 205 G HA3 0.633 4.593 3.960 -0.000 0.000 0.291 205 G C -1.878 173.208 174.900 0.311 0.000 1.456 205 G CA -0.577 44.859 45.100 0.561 0.000 0.804 205 G HN 0.809 nan 8.290 nan 0.000 0.499 206 I N 0.459 120.983 120.570 -0.076 0.000 2.499 206 I HA 0.708 4.878 4.170 -0.000 0.000 0.288 206 I C 0.250 175.881 176.117 -0.811 0.000 1.048 206 I CA -0.568 60.420 61.300 -0.519 0.000 1.062 206 I CB 2.456 39.991 38.000 -0.776 0.000 1.238 206 I HN 0.865 nan 8.210 nan 0.000 0.426 207 G N 2.489 110.419 108.800 -1.450 0.000 2.698 207 G HA2 0.366 4.326 3.960 -0.000 0.000 0.293 207 G HA3 0.366 4.326 3.960 -0.000 0.000 0.293 207 G C -0.074 174.303 174.900 -0.872 0.000 1.437 207 G CA -0.321 44.050 45.100 -1.215 0.000 0.852 207 G HN 0.480 nan 8.290 nan 0.000 0.499 208 S N -0.151 115.319 115.700 -0.384 0.000 2.368 208 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 208 S C 2.702 177.256 174.600 -0.077 0.000 1.029 208 S CA 2.061 60.171 58.200 -0.151 0.000 0.988 208 S CB -0.314 62.920 63.200 0.056 0.000 0.838 208 S HN 1.103 nan 8.310 nan 0.000 0.462 209 T N -0.666 113.869 114.554 -0.031 0.000 3.098 209 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 209 T C 1.305 176.121 174.700 0.193 0.000 1.145 209 T CA 0.590 62.751 62.100 0.101 0.000 1.092 209 T CB -0.570 68.400 68.868 0.171 0.000 0.908 209 T HN 0.304 nan 8.240 nan 0.000 0.526 210 Y N 2.400 122.603 120.300 -0.160 0.000 2.403 210 Y HA 0.055 4.605 4.550 0.000 0.000 0.291 210 Y C 2.401 178.264 175.900 -0.062 0.000 1.143 210 Y CA -0.483 57.522 58.100 -0.159 0.000 1.257 210 Y CB -1.061 37.251 38.460 -0.248 0.000 0.984 210 Y HN 0.357 nan 8.280 nan 0.000 0.550 211 N N 0.672 119.455 118.700 0.138 0.000 2.205 211 N HA -0.142 4.597 4.740 -0.000 0.000 0.186 211 N C 1.683 177.344 175.510 0.252 0.000 1.015 211 N CA 1.909 55.055 53.050 0.160 0.000 0.862 211 N CB -0.161 38.392 38.487 0.110 0.000 0.986 211 N HN 0.562 nan 8.380 nan 0.000 0.429 212 I N -2.572 118.099 120.570 0.168 0.000 4.070 212 I HA 0.245 4.415 4.170 -0.000 0.000 0.328 212 I C 1.018 177.088 176.117 -0.080 0.000 1.298 212 I CA 0.159 61.580 61.300 0.202 0.000 1.173 212 I CB 0.220 38.311 38.000 0.153 0.000 1.051 212 I HN -0.092 nan 8.210 nan 0.000 0.409 213 M N -0.537 118.838 119.600 -0.374 0.000 4.919 213 M HA 0.516 4.996 4.480 -0.000 0.000 0.591 213 M C 0.779 176.519 176.300 -0.933 0.000 2.207 213 M CA -0.128 54.449 55.300 -1.204 0.000 0.471 213 M CB -0.036 32.074 32.600 -0.817 0.000 1.465 213 M HN -0.062 nan 8.290 nan 0.000 0.636 214 G N 1.609 110.142 108.800 -0.444 0.000 2.475 214 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 214 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 214 G C 0.888 175.664 174.900 -0.207 0.000 1.125 214 G CA 1.451 46.427 45.100 -0.207 0.000 0.755 214 G HN 0.957 nan 8.290 nan 0.000 0.565 215 W N 0.732 121.985 121.300 -0.078 0.000 2.421 215 W HA 0.121 4.781 4.660 -0.000 0.000 0.270 215 W C 2.258 178.705 176.519 -0.119 0.000 1.233 215 W CA 0.489 57.780 57.345 -0.090 0.000 1.226 215 W CB -0.263 29.148 29.460 -0.082 0.000 1.121 215 W HN 0.033 nan 8.180 nan 0.000 0.579 216 R N -0.422 119.720 120.500 -0.597 0.000 2.073 216 R HA -0.127 4.213 4.340 -0.000 0.000 0.229 216 R C 2.104 178.120 176.300 -0.473 0.000 1.120 216 R CA 1.845 57.648 56.100 -0.494 0.000 0.967 216 R CB -0.954 28.902 30.300 -0.740 0.000 0.862 216 R HN 0.263 nan 8.270 nan 0.000 0.436 217 Y N 1.000 121.022 120.300 -0.463 0.000 2.242 217 Y HA -0.153 4.397 4.550 0.000 0.000 0.291 217 Y C 2.596 178.342 175.900 -0.256 0.000 1.137 217 Y CA 0.957 58.694 58.100 -0.604 0.000 1.181 217 Y CB -0.131 37.563 38.460 -1.278 0.000 0.989 217 Y HN 0.001 nan 8.280 nan 0.000 0.527 218 Q N -0.480 119.285 119.800 -0.058 0.000 2.167 218 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 218 Q C 2.563 178.603 176.000 0.066 0.000 0.970 218 Q CA 1.266 57.093 55.803 0.040 0.000 0.855 218 Q CB -0.749 28.017 28.738 0.045 0.000 0.911 218 Q HN 0.609 nan 8.270 nan 0.000 0.438 219 G N 0.800 109.620 108.800 0.034 0.000 2.422 219 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 219 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 219 G C 1.545 176.478 174.900 0.055 0.000 1.140 219 G CA 0.301 45.427 45.100 0.044 0.000 0.775 219 G HN 0.270 nan 8.290 nan 0.000 0.545 220 I N 0.280 120.896 120.570 0.078 0.000 2.252 220 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 220 I C 2.728 178.943 176.117 0.165 0.000 1.102 220 I CA 0.314 61.702 61.300 0.145 0.000 1.385 220 I CB -0.163 38.009 38.000 0.286 0.000 1.064 220 I HN 0.011 nan 8.210 nan 0.000 0.414 221 V N 1.142 121.189 119.914 0.221 0.000 2.295 221 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 221 V C 2.544 178.688 176.094 0.084 0.000 1.049 221 V CA 2.048 64.440 62.300 0.153 0.000 1.024 221 V CB -0.658 31.274 31.823 0.182 0.000 0.648 221 V HN 0.418 nan 8.190 nan 0.000 0.447 222 K N 0.027 120.473 120.400 0.077 0.000 2.057 222 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 222 K C 2.226 178.850 176.600 0.041 0.000 1.050 222 K CA 1.456 57.774 56.287 0.052 0.000 0.935 222 K CB -0.339 32.190 32.500 0.048 0.000 0.715 222 K HN 0.411 nan 8.250 nan 0.000 0.439 223 A N 1.504 124.351 122.820 0.044 0.000 1.883 223 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 223 A C 2.124 179.724 177.584 0.027 0.000 1.186 223 A CA 1.533 53.590 52.037 0.033 0.000 0.624 223 A CB -0.742 18.279 19.000 0.035 0.000 0.822 223 A HN 0.339 nan 8.150 nan 0.000 0.444 224 L N -0.935 120.305 121.223 0.028 0.000 2.141 224 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 224 L C 2.609 179.486 176.870 0.011 0.000 1.094 224 L CA 1.747 56.596 54.840 0.014 0.000 0.763 224 L CB -0.402 41.658 42.059 0.002 0.000 0.908 224 L HN 0.475 nan 8.230 nan 0.000 0.437 225 K N 0.633 121.044 120.400 0.017 0.000 2.097 225 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 225 K C 1.632 178.240 176.600 0.013 0.000 1.050 225 K CA 1.261 57.556 56.287 0.014 0.000 0.938 225 K CB 0.149 32.661 32.500 0.021 0.000 0.718 225 K HN 0.346 nan 8.250 nan 0.000 0.442 226 E N -1.034 119.175 120.200 0.015 0.000 2.489 226 E HA 0.048 4.398 4.350 -0.000 0.000 0.193 226 E C 0.525 177.131 176.600 0.010 0.000 1.057 226 E CA 0.374 56.781 56.400 0.012 0.000 0.866 226 E CB 0.506 30.215 29.700 0.014 0.000 0.916 226 E HN 0.559 nan 8.360 nan 0.000 0.500 227 G N 2.645 111.451 108.800 0.010 0.000 2.147 227 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.244 227 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.244 227 G C -0.121 174.784 174.900 0.009 0.000 1.005 227 G CA 0.278 45.383 45.100 0.007 0.000 0.713 227 G HN 0.266 nan 8.290 nan 0.000 0.515 228 D N 0.422 120.829 120.400 0.011 0.000 2.564 228 D HA 0.410 5.050 4.640 -0.000 0.000 0.226 228 D C 1.850 178.158 176.300 0.013 0.000 1.149 228 D CA -0.655 53.352 54.000 0.012 0.000 0.994 228 D CB -0.413 40.395 40.800 0.014 0.000 1.029 228 D HN 0.326 nan 8.370 nan 0.000 0.517 229 I N 1.307 121.883 120.570 0.011 0.000 2.286 229 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 229 I C 2.190 178.314 176.117 0.012 0.000 1.115 229 I CA 0.694 62.001 61.300 0.011 0.000 1.392 229 I CB 0.029 38.034 38.000 0.008 0.000 1.065 229 I HN 0.308 nan 8.210 nan 0.000 0.418 230 Q N 0.297 120.103 119.800 0.010 0.000 2.050 230 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 230 Q C 2.305 178.312 176.000 0.011 0.000 0.980 230 Q CA 2.015 57.824 55.803 0.010 0.000 0.840 230 Q CB -0.923 27.820 28.738 0.008 0.000 0.898 230 Q HN 0.462 nan 8.270 nan 0.000 0.424 231 T N 1.529 116.091 114.554 0.012 0.000 2.746 231 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 231 T C 1.888 176.596 174.700 0.014 0.000 1.039 231 T CA 1.385 63.493 62.100 0.013 0.000 1.142 231 T CB -0.264 68.613 68.868 0.016 0.000 0.866 231 T HN 0.426 nan 8.240 nan 0.000 0.444 232 A N 1.519 124.351 122.820 0.020 0.000 1.883 232 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 232 A C 2.288 179.888 177.584 0.025 0.000 1.186 232 A CA 1.628 53.682 52.037 0.029 0.000 0.624 232 A CB -0.672 18.348 19.000 0.033 0.000 0.822 232 A HN 0.553 nan 8.150 nan 0.000 0.444 233 Q N -0.872 118.940 119.800 0.020 0.000 2.079 233 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 233 Q C 2.206 178.212 176.000 0.009 0.000 0.974 233 Q CA 1.318 57.132 55.803 0.018 0.000 0.840 233 Q CB -0.193 28.554 28.738 0.015 0.000 0.898 233 Q HN 0.478 nan 8.270 nan 0.000 0.430 234 K N 1.347 121.750 120.400 0.005 0.000 2.026 234 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 234 K C 1.966 178.556 176.600 -0.016 0.000 1.048 234 K CA 1.183 57.469 56.287 -0.001 0.000 0.929 234 K CB -0.324 32.178 32.500 0.003 0.000 0.713 234 K HN 0.223 nan 8.250 nan 0.000 0.439 235 L N 0.685 121.892 121.223 -0.026 0.000 2.046 235 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 235 L C 2.793 179.600 176.870 -0.104 0.000 1.077 235 L CA 1.354 56.150 54.840 -0.074 0.000 0.747 235 L CB -0.429 41.580 42.059 -0.084 0.000 0.896 235 L HN 0.221 nan 8.230 nan 0.000 0.432 236 Q N -0.192 119.580 119.800 -0.046 0.000 2.084 236 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 236 Q C 2.068 178.059 176.000 -0.014 0.000 0.978 236 Q CA 2.332 58.126 55.803 -0.016 0.000 0.844 236 Q CB -0.331 28.441 28.738 0.056 0.000 0.898 236 Q HN 0.334 nan 8.270 nan 0.000 0.426 237 T N 0.915 115.464 114.554 -0.009 0.000 2.746 237 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 237 T C 1.355 176.045 174.700 -0.016 0.000 1.039 237 T CA 1.377 63.475 62.100 -0.003 0.000 1.142 237 T CB -0.165 68.704 68.868 0.001 0.000 0.866 237 T HN 0.304 nan 8.240 nan 0.000 0.444 238 E N 0.544 120.722 120.200 -0.036 0.000 2.106 238 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 238 E C 2.542 179.104 176.600 -0.062 0.000 0.984 238 E CA 0.572 56.947 56.400 -0.041 0.000 0.806 238 E CB -0.624 29.049 29.700 -0.046 0.000 0.750 238 E HN 0.494 nan 8.360 nan 0.000 0.458 239 C N 1.344 120.578 119.300 -0.111 0.000 2.429 239 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 239 C C 2.346 177.331 174.990 -0.008 0.000 1.262 239 C CA 0.564 59.511 59.018 -0.117 0.000 1.733 239 C CB -1.074 26.527 27.740 -0.232 0.000 2.010 239 C HN 0.402 nan 8.230 nan 0.000 0.483 240 N N 0.882 119.587 118.700 0.008 0.000 2.309 240 N HA -0.072 4.667 4.740 -0.000 0.000 0.182 240 N C 1.669 177.190 175.510 0.018 0.000 1.018 240 N CA 0.946 54.014 53.050 0.030 0.000 0.876 240 N CB -0.301 38.205 38.487 0.032 0.000 0.972 240 N HN 0.571 nan 8.380 nan 0.000 0.434 241 K N 0.069 120.474 120.400 0.008 0.000 2.097 241 K HA -0.003 4.317 4.320 -0.000 0.000 0.206 241 K C 1.777 178.385 176.600 0.012 0.000 1.049 241 K CA 0.737 57.030 56.287 0.010 0.000 0.933 241 K CB -0.070 32.435 32.500 0.010 0.000 0.717 241 K HN -0.021 nan 8.250 nan 0.000 0.442 242 V N 1.721 121.642 119.914 0.011 0.000 2.358 242 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 242 V C 2.135 178.240 176.094 0.018 0.000 1.047 242 V CA 1.546 63.856 62.300 0.017 0.000 1.035 242 V CB -0.336 31.495 31.823 0.015 0.000 0.658 242 V HN 0.266 nan 8.190 nan 0.000 0.452 243 I N 0.099 120.687 120.570 0.030 0.000 2.286 243 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 243 I C 2.237 178.356 176.117 0.003 0.000 1.115 243 I CA 1.432 62.751 61.300 0.032 0.000 1.392 243 I CB -0.488 37.550 38.000 0.062 0.000 1.065 243 I HN 0.313 nan 8.210 nan 0.000 0.418 244 D N 0.781 121.182 120.400 0.001 0.000 2.104 244 D HA -0.203 4.437 4.640 -0.000 0.000 0.194 244 D C 1.973 178.253 176.300 -0.033 0.000 0.994 244 D CA 1.224 55.218 54.000 -0.010 0.000 0.830 244 D CB -0.326 40.474 40.800 0.001 0.000 0.959 244 D HN 0.169 nan 8.370 nan 0.000 0.452 245 L N 0.466 121.670 121.223 -0.032 0.000 2.017 245 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 245 L C 2.114 178.903 176.870 -0.135 0.000 1.073 245 L CA 1.471 56.269 54.840 -0.070 0.000 0.745 245 L CB -0.615 41.429 42.059 -0.026 0.000 0.894 245 L HN 0.048 nan 8.230 nan 0.000 0.432 246 L N -0.923 120.252 121.223 -0.081 0.000 2.131 246 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 246 L C 2.531 179.330 176.870 -0.119 0.000 1.092 246 L CA 1.322 56.108 54.840 -0.090 0.000 0.759 246 L CB -0.508 41.532 42.059 -0.032 0.000 0.903 246 L HN 0.315 nan 8.230 nan 0.000 0.435 247 I N -0.344 120.169 120.570 -0.095 0.000 2.315 247 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 247 I C 2.471 178.516 176.117 -0.121 0.000 1.117 247 I CA 1.278 62.523 61.300 -0.091 0.000 1.404 247 I CB -0.165 37.800 38.000 -0.057 0.000 1.071 247 I HN 0.223 nan 8.210 nan 0.000 0.419 248 K N 0.160 120.456 120.400 -0.173 0.000 2.062 248 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 248 K C 2.124 178.460 176.600 -0.440 0.000 1.051 248 K CA 1.954 58.099 56.287 -0.236 0.000 0.941 248 K CB -0.273 32.081 32.500 -0.243 0.000 0.719 248 K HN 0.439 nan 8.250 nan 0.000 0.440 249 T N -2.096 112.113 114.554 -0.576 0.000 2.985 249 T HA 0.129 4.479 4.350 -0.000 0.000 0.266 249 T C 0.840 175.433 174.700 -0.178 0.000 1.076 249 T CA 0.455 62.239 62.100 -0.527 0.000 1.135 249 T CB 0.166 68.789 68.868 -0.408 0.000 0.890 249 T HN 0.286 nan 8.240 nan 0.000 0.480 250 G N 0.440 109.149 108.800 -0.152 0.000 3.363 250 G HA2 -0.007 3.952 3.960 -0.000 0.000 0.685 250 G HA3 -0.007 3.952 3.960 -0.000 0.000 0.685 250 G C 0.180 174.992 174.900 -0.147 0.000 1.199 250 G CA -0.381 44.652 45.100 -0.112 0.000 0.946 250 G HN 0.275 nan 8.290 nan 0.000 0.558 251 I N 2.120 122.560 120.570 -0.216 0.000 2.076 251 I HA -0.140 4.030 4.170 -0.000 0.000 0.237 251 I C 2.652 178.743 176.117 -0.043 0.000 1.059 251 I CA 1.575 62.774 61.300 -0.169 0.000 1.317 251 I CB -0.430 37.433 38.000 -0.229 0.000 1.037 251 I HN 0.514 nan 8.210 nan 0.000 0.398 252 F N 1.599 121.464 119.950 -0.141 0.000 2.095 252 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 252 F C 2.759 178.457 175.800 -0.169 0.000 1.104 252 F CA 1.498 59.386 58.000 -0.187 0.000 1.232 252 F CB -1.337 37.469 39.000 -0.323 0.000 0.987 252 F HN 0.158 nan 8.300 nan 0.000 0.475 253 R N 0.347 120.842 120.500 -0.010 0.000 2.115 253 R HA 0.034 4.374 4.340 -0.000 0.000 0.226 253 R C 2.391 178.685 176.300 -0.011 0.000 1.100 253 R CA 1.342 57.429 56.100 -0.021 0.000 0.980 253 R CB -1.460 28.826 30.300 -0.024 0.000 0.875 253 R HN 0.291 nan 8.270 nan 0.000 0.445 254 G N 1.999 110.791 108.800 -0.014 0.000 2.402 254 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 254 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 254 G C 1.548 176.459 174.900 0.018 0.000 1.162 254 G CA 0.533 45.632 45.100 -0.003 0.000 0.777 254 G HN 0.162 nan 8.290 nan 0.000 0.539 255 L N -0.039 121.201 121.223 0.028 0.000 2.017 255 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 255 L C 2.974 179.847 176.870 0.005 0.000 1.073 255 L CA 1.277 56.139 54.840 0.037 0.000 0.745 255 L CB -0.293 41.802 42.059 0.060 0.000 0.894 255 L HN 0.159 nan 8.230 nan 0.000 0.432 256 K N -0.672 119.718 120.400 -0.017 0.000 2.097 256 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 256 K C 2.065 178.616 176.600 -0.083 0.000 1.049 256 K CA 1.768 58.022 56.287 -0.055 0.000 0.933 256 K CB -0.267 32.195 32.500 -0.063 0.000 0.717 256 K HN 0.302 nan 8.250 nan 0.000 0.442 257 T N 1.006 115.507 114.554 -0.089 0.000 2.737 257 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 257 T C 2.024 176.573 174.700 -0.251 0.000 1.038 257 T CA 1.151 63.135 62.100 -0.194 0.000 1.144 257 T CB -0.156 68.662 68.868 -0.083 0.000 0.866 257 T HN -0.054 nan 8.240 nan 0.000 0.434 258 V N 1.552 121.456 119.914 -0.018 0.000 2.343 258 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 258 V C 2.470 178.578 176.094 0.024 0.000 1.051 258 V CA 1.455 63.819 62.300 0.107 0.000 1.036 258 V CB -0.676 31.222 31.823 0.126 0.000 0.654 258 V HN 0.433 nan 8.190 nan 0.000 0.451 259 L N -0.515 120.682 121.223 -0.043 0.000 2.131 259 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 259 L C 2.562 179.350 176.870 -0.137 0.000 1.092 259 L CA 1.746 56.513 54.840 -0.121 0.000 0.759 259 L CB -0.722 41.266 42.059 -0.118 0.000 0.903 259 L HN 0.481 nan 8.230 nan 0.000 0.435 260 H N -0.711 118.210 119.070 -0.249 0.000 2.357 260 H HA -0.198 4.358 4.556 0.000 0.000 0.301 260 H C 1.918 177.134 175.328 -0.187 0.000 1.082 260 H CA 1.799 57.686 56.048 -0.269 0.000 1.342 260 H CB -0.110 29.417 29.762 -0.392 0.000 1.389 260 H HN 0.217 nan 8.280 nan 0.000 0.511 261 Y N -0.156 120.063 120.300 -0.136 0.000 2.421 261 Y HA -0.044 4.506 4.550 0.000 0.000 0.292 261 Y C 1.989 177.800 175.900 -0.148 0.000 1.136 261 Y CA 0.793 58.791 58.100 -0.170 0.000 1.255 261 Y CB -0.400 38.037 38.460 -0.039 0.000 0.991 261 Y HN 0.302 nan 8.280 nan 0.000 0.552 262 M N -0.400 119.188 119.600 -0.019 0.000 2.568 262 M HA 0.020 4.500 4.480 -0.000 0.000 0.226 262 M C -0.297 175.908 176.300 -0.159 0.000 1.148 262 M CA 0.550 55.803 55.300 -0.077 0.000 1.007 262 M CB 0.088 32.600 32.600 -0.148 0.000 1.651 262 M HN 0.057 nan 8.290 nan 0.000 0.488 263 D N -0.451 119.848 120.400 -0.169 0.000 2.870 263 D HA -0.145 4.495 4.640 -0.000 0.000 0.228 263 D C 0.724 176.928 176.300 -0.160 0.000 1.147 263 D CA 0.390 54.295 54.000 -0.158 0.000 0.757 263 D CB -1.299 39.441 40.800 -0.099 0.000 1.091 263 D HN 0.243 nan 8.370 nan 0.000 0.429 264 V N -0.911 118.872 119.914 -0.217 0.000 2.690 264 V HA 0.029 4.149 4.120 -0.000 0.000 0.240 264 V C 1.166 177.187 176.094 -0.121 0.000 1.078 264 V CA 0.583 62.750 62.300 -0.222 0.000 1.102 264 V CB 0.768 32.337 31.823 -0.423 0.000 0.800 264 V HN 0.060 nan 8.190 nan 0.000 0.479 265 V N 0.820 120.680 119.914 -0.090 0.000 2.370 265 V HA 0.281 4.400 4.120 -0.000 0.000 0.279 265 V C 1.191 177.337 176.094 0.086 0.000 1.029 265 V CA 0.180 62.461 62.300 -0.032 0.000 0.870 265 V CB 1.255 33.042 31.823 -0.059 0.000 0.984 265 V HN 0.339 nan 8.190 nan 0.000 0.451 266 S N 3.675 119.406 115.700 0.052 0.000 2.348 266 S HA -0.033 4.437 4.470 -0.000 0.000 0.221 266 S C 0.595 175.201 174.600 0.010 0.000 1.033 266 S CA 1.040 59.293 58.200 0.089 0.000 1.010 266 S CB 0.112 63.331 63.200 0.032 0.000 0.891 266 S HN 0.555 nan 8.310 nan 0.000 0.442 267 V N 3.253 123.124 119.914 -0.071 0.000 2.443 267 V HA 0.309 4.429 4.120 -0.000 0.000 0.293 267 V C -2.238 173.770 176.094 -0.142 0.000 1.021 267 V CA -1.580 60.625 62.300 -0.159 0.000 0.848 267 V CB 1.869 33.655 31.823 -0.061 0.000 0.998 267 V HN 0.158 nan 8.190 nan 0.000 0.424 268 P HA 0.192 nan 4.420 nan 0.000 0.249 268 P C -0.120 177.145 177.300 -0.058 0.000 1.593 268 P CA 0.015 63.028 63.100 -0.145 0.000 0.896 268 P CB 0.240 31.811 31.700 -0.215 0.000 1.581 269 L N -0.278 120.945 121.223 0.001 0.000 2.399 269 L HA 0.333 4.673 4.340 -0.000 0.000 0.266 269 L C 0.812 177.785 176.870 0.171 0.000 1.114 269 L CA -0.626 54.254 54.840 0.066 0.000 0.804 269 L CB 0.862 42.961 42.059 0.066 0.000 1.146 269 L HN 0.025 nan 8.230 nan 0.000 0.451 270 C N 0.869 120.259 119.300 0.151 0.000 2.407 270 C HA 0.487 4.947 4.460 -0.000 0.000 0.366 270 C C 0.544 175.651 174.990 0.195 0.000 1.213 270 C CA -0.807 58.334 59.018 0.206 0.000 2.011 270 C CB 1.679 29.407 27.740 -0.020 0.000 2.306 270 C HN 0.737 nan 8.230 nan 0.000 0.527 271 R N 1.249 121.860 120.500 0.186 0.000 2.490 271 R HA 0.239 4.579 4.340 -0.000 0.000 0.278 271 R C -0.131 176.281 176.300 0.187 0.000 1.069 271 R CA -0.458 55.653 56.100 0.018 0.000 1.080 271 R CB 0.535 30.733 30.300 -0.170 0.000 1.030 271 R HN 0.523 nan 8.270 nan 0.000 0.491 272 K N 3.005 123.445 120.400 0.066 0.000 2.414 272 K HA 0.017 4.337 4.320 -0.000 0.000 0.272 272 K C -1.338 175.268 176.600 0.011 0.000 0.993 272 K CA -1.003 55.315 56.287 0.051 0.000 0.964 272 K CB 0.370 32.875 32.500 0.008 0.000 0.925 272 K HN 0.498 nan 8.250 nan 0.000 0.487 273 P HA -0.049 nan 4.420 nan 0.000 0.239 273 P C -0.138 177.120 177.300 -0.069 0.000 1.184 273 P CA 0.262 63.309 63.100 -0.087 0.000 0.760 273 P CB 0.140 31.757 31.700 -0.139 0.000 0.884 274 F N 1.447 121.422 119.950 0.042 0.000 2.538 274 F HA 0.321 4.848 4.527 -0.001 0.000 0.371 274 F C 1.818 177.641 175.800 0.039 0.000 1.087 274 F CA 0.414 58.445 58.000 0.052 0.000 1.250 274 F CB 0.177 39.234 39.000 0.094 0.000 1.110 274 F HN -0.090 nan 8.300 nan 0.000 0.570 275 G N 3.808 112.749 108.800 0.235 0.000 2.535 275 G HA2 0.595 4.555 3.960 -0.000 0.000 0.303 275 G HA3 0.595 4.555 3.960 -0.000 0.000 0.303 275 G C -2.559 172.422 174.900 0.136 0.000 1.237 275 G CA -1.269 43.916 45.100 0.143 0.000 0.986 275 G HN 0.419 nan 8.290 nan 0.000 0.494 276 P HA 0.280 nan 4.420 nan 0.000 0.277 276 P C -0.289 177.065 177.300 0.091 0.000 1.271 276 P CA -0.411 62.736 63.100 0.078 0.000 0.795 276 P CB 1.102 32.837 31.700 0.057 0.000 1.101 277 V N 1.389 121.356 119.914 0.088 0.000 2.614 277 V HA 0.018 4.138 4.120 -0.000 0.000 0.291 277 V C 0.950 177.136 176.094 0.154 0.000 1.049 277 V CA 0.045 62.422 62.300 0.129 0.000 1.038 277 V CB 0.210 32.107 31.823 0.124 0.000 0.980 277 V HN 0.599 nan 8.190 nan 0.000 0.481 278 D N 3.654 124.188 120.400 0.224 0.000 2.417 278 D HA 0.008 4.648 4.640 -0.000 0.000 0.250 278 D C 1.238 177.598 176.300 0.100 0.000 1.166 278 D CA 0.140 54.223 54.000 0.139 0.000 0.881 278 D CB 1.001 41.867 40.800 0.110 0.000 1.164 278 D HN 0.663 nan 8.370 nan 0.000 0.467 279 E N 2.894 123.122 120.200 0.046 0.000 2.273 279 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 279 E C 1.641 178.238 176.600 -0.006 0.000 1.002 279 E CA 0.807 57.233 56.400 0.042 0.000 0.828 279 E CB 0.011 29.728 29.700 0.029 0.000 0.747 279 E HN 0.620 nan 8.360 nan 0.000 0.491 280 K N 0.071 120.396 120.400 -0.124 0.000 2.442 280 K HA -0.136 4.184 4.320 -0.000 0.000 0.198 280 K C 0.935 177.408 176.600 -0.212 0.000 1.042 280 K CA 1.090 57.247 56.287 -0.216 0.000 0.958 280 K CB -0.061 32.228 32.500 -0.353 0.000 0.766 280 K HN 0.141 nan 8.250 nan 0.000 0.474 281 Y N 1.173 121.500 120.300 0.045 0.000 2.462 281 Y HA 0.228 4.778 4.550 -0.000 0.000 0.261 281 Y C 1.741 177.684 175.900 0.071 0.000 1.146 281 Y CA -0.393 57.739 58.100 0.052 0.000 1.283 281 Y CB 0.042 38.535 38.460 0.054 0.000 1.090 281 Y HN -0.090 nan 8.280 nan 0.000 0.526 282 L N 0.312 121.657 121.223 0.202 0.000 2.042 282 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 282 L C -0.445 176.484 176.870 0.098 0.000 1.076 282 L CA 1.310 56.260 54.840 0.184 0.000 0.749 282 L CB -1.664 40.492 42.059 0.162 0.000 0.893 282 L HN 0.159 nan 8.230 nan 0.000 0.432 283 P HA -0.181 nan 4.420 nan 0.000 0.215 283 P C 1.315 178.634 177.300 0.030 0.000 1.157 283 P CA 1.367 64.478 63.100 0.019 0.000 0.868 283 P CB 0.057 31.768 31.700 0.020 0.000 0.788 284 E N -0.786 119.463 120.200 0.081 0.000 2.106 284 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 284 E C 2.015 178.667 176.600 0.088 0.000 0.984 284 E CA 0.794 57.244 56.400 0.084 0.000 0.806 284 E CB -0.554 29.217 29.700 0.119 0.000 0.750 284 E HN 0.237 nan 8.360 nan 0.000 0.458 285 L N 0.849 122.150 121.223 0.130 0.000 2.093 285 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 285 L C 2.365 179.322 176.870 0.145 0.000 1.085 285 L CA 1.100 56.050 54.840 0.183 0.000 0.755 285 L CB -0.228 42.006 42.059 0.291 0.000 0.904 285 L HN 0.031 nan 8.230 nan 0.000 0.435 286 K N 0.055 120.417 120.400 -0.063 0.000 2.057 286 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 286 K C 2.239 178.758 176.600 -0.134 0.000 1.050 286 K CA 1.246 57.309 56.287 -0.373 0.000 0.935 286 K CB -0.188 31.986 32.500 -0.543 0.000 0.715 286 K HN 0.246 nan 8.250 nan 0.000 0.439 287 A N 1.455 124.241 122.820 -0.056 0.000 1.933 287 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 287 A C 2.066 179.666 177.584 0.027 0.000 1.175 287 A CA 1.090 53.118 52.037 -0.014 0.000 0.628 287 A CB -0.431 18.570 19.000 0.002 0.000 0.814 287 A HN 0.233 nan 8.150 nan 0.000 0.444 288 L N -0.235 121.020 121.223 0.054 0.000 2.056 288 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 288 L C 2.624 179.560 176.870 0.110 0.000 1.078 288 L CA 2.156 57.045 54.840 0.083 0.000 0.749 288 L CB -0.884 41.231 42.059 0.093 0.000 0.901 288 L HN 0.323 nan 8.230 nan 0.000 0.433 289 A N -0.884 122.011 122.820 0.126 0.000 1.902 289 A HA -0.287 4.032 4.320 -0.000 0.000 0.217 289 A C 2.277 179.930 177.584 0.115 0.000 1.181 289 A CA 1.821 53.951 52.037 0.155 0.000 0.623 289 A CB -0.760 18.368 19.000 0.213 0.000 0.818 289 A HN 0.595 nan 8.150 nan 0.000 0.443 290 Q N -0.152 119.685 119.800 0.061 0.000 2.050 290 Q HA -0.238 4.101 4.340 -0.000 0.000 0.202 290 Q C 2.208 178.245 176.000 0.063 0.000 0.980 290 Q CA 2.443 58.271 55.803 0.042 0.000 0.840 290 Q CB -0.471 28.270 28.738 0.005 0.000 0.898 290 Q HN 0.766 nan 8.270 nan 0.000 0.424 291 Q N -0.524 119.320 119.800 0.072 0.000 2.050 291 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 291 Q C 2.060 178.140 176.000 0.134 0.000 0.980 291 Q CA 1.675 57.529 55.803 0.085 0.000 0.840 291 Q CB -0.182 28.604 28.738 0.079 0.000 0.898 291 Q HN 0.534 nan 8.270 nan 0.000 0.424 292 L N -0.077 121.261 121.223 0.192 0.000 2.083 292 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 292 L C 2.658 179.687 176.870 0.266 0.000 1.083 292 L CA 1.053 56.095 54.840 0.337 0.000 0.752 292 L CB -0.343 41.954 42.059 0.396 0.000 0.899 292 L HN 0.375 nan 8.230 nan 0.000 0.433 293 M N -1.214 118.491 119.600 0.175 0.000 2.175 293 M HA -0.182 4.297 4.480 -0.000 0.000 0.264 293 M C 2.357 178.667 176.300 0.016 0.000 1.063 293 M CA 1.440 56.798 55.300 0.097 0.000 1.119 293 M CB -0.323 32.331 32.600 0.089 0.000 1.377 293 M HN 0.278 nan 8.290 nan 0.000 0.415 294 Q N 0.192 120.010 119.800 0.031 0.000 2.079 294 Q HA -0.204 4.136 4.340 -0.000 0.000 0.200 294 Q C 1.863 177.846 176.000 -0.029 0.000 0.974 294 Q CA 1.547 57.351 55.803 0.002 0.000 0.840 294 Q CB -0.304 28.445 28.738 0.019 0.000 0.898 294 Q HN 0.612 nan 8.270 nan 0.000 0.430 295 E N 0.615 120.815 120.200 0.000 0.000 2.077 295 E HA -0.140 4.209 4.350 -0.000 0.000 0.193 295 E C 1.155 177.608 176.600 -0.245 0.000 0.989 295 E CA 0.323 56.707 56.400 -0.026 0.000 0.800 295 E CB 0.215 30.009 29.700 0.156 0.000 0.746 295 E HN 0.071 nan 8.360 nan 0.000 0.452 296 R N 0.000 120.251 120.500 -0.416 0.000 2.786 296 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 296 R CA 0.000 55.668 56.100 -0.719 0.000 0.921 296 R CB 0.000 29.715 30.300 -0.974 0.000 0.687 296 R HN 0.000 nan 8.270 nan 0.000 0.535