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 1q3q_1_D DATA FIRST_RESID 9 DATA SEQUENCE VVILPEGTQR YVGRDAQRLN ILAARIIAET VRTTLGPKGM DKMLVDSLGD DATA SEQUENCE IVVTNDCATI LDKIDLQHPA AKMMVEVAKT QDKEAGDGTT TAVVIAGELL DATA SEQUENCE RKAEELLDQN IHPSIITKGY ALAAEKAQEI LDEIAIRVDP DDEETLLKIA DATA SEQUENCE ATSITGKNAE SHKELLAKLA VEAVKQVAEK KDGKYVVDLD NIKFEKKAGE DATA SEQUENCE GVEESELVRG VVIDKEVVHP RMPKRVENAK IALINEALEV KKTETDAKIN DATA SEQUENCE ITSPDQLMSF LEQEEKMLKD MVDHIAQTGA NVVFVQKGID DLAQHYLAKY DATA SEQUENCE GIMAVRRVKK SDMEKLAKAT GAKIVTNVKD LTPEDLGYAE VVEERKLAGE DATA SEQUENCE NMIFVEGCKN PKAVTILIRG GTEHVIDEVE RALEDAVKVV KDVMEDGAVL DATA SEQUENCE PAGGAPEIEL AIRLDEYAKQ VGGKEALAIE NFADALKIIP KTLAENAGLD DATA SEQUENCE TVEMLVKVIS EHKNRGLGIG IDVFEGKPAD MLEKGIIEPL RVKKQAIKSA DATA SEQUENCE SEAAIMILRI DDVIAAKA 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 9 V HA 0.000 nan 4.120 nan 0.000 0.244 9 V C 0.000 176.087 176.094 -0.012 0.000 1.182 9 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 9 V CB 0.000 31.818 31.823 -0.008 0.000 1.184 10 V N 8.552 128.459 119.914 -0.011 0.000 2.416 10 V HA 0.119 4.240 4.120 0.001 0.000 0.260 10 V C 1.218 177.305 176.094 -0.012 0.000 1.018 10 V CA 1.178 63.470 62.300 -0.013 0.000 1.120 10 V CB 0.052 31.868 31.823 -0.011 0.000 1.081 10 V HN 0.750 nan 8.190 nan 0.000 0.474 11 I N 3.958 124.520 120.570 -0.014 0.000 3.445 11 I HA 0.192 4.362 4.170 0.001 0.000 0.288 11 I C 0.615 176.724 176.117 -0.014 0.000 1.198 11 I CA 0.458 61.751 61.300 -0.013 0.000 1.417 11 I CB 0.394 38.387 38.000 -0.013 0.000 1.205 11 I HN 0.361 nan 8.210 nan 0.000 0.448 12 L N 1.765 122.978 121.223 -0.018 0.000 2.325 12 L HA 0.430 4.770 4.340 0.001 0.000 0.278 12 L C -2.205 174.654 176.870 -0.018 0.000 1.023 12 L CA -1.893 52.936 54.840 -0.019 0.000 0.811 12 L CB 1.079 43.122 42.059 -0.026 0.000 1.249 12 L HN -0.171 nan 8.230 nan 0.000 0.431 13 P HA -0.015 nan 4.420 nan 0.000 0.266 13 P C -0.852 176.438 177.300 -0.016 0.000 1.193 13 P CA -0.319 62.773 63.100 -0.014 0.000 0.770 13 P CB 0.356 32.049 31.700 -0.011 0.000 0.836 14 E N 1.301 121.493 120.200 -0.014 0.000 2.398 14 E HA 0.322 4.673 4.350 0.001 0.000 0.263 14 E C 1.114 177.705 176.600 -0.014 0.000 1.046 14 E CA 0.231 56.622 56.400 -0.015 0.000 0.908 14 E CB -0.333 29.360 29.700 -0.012 0.000 0.963 14 E HN 0.705 nan 8.360 nan 0.000 0.431 15 G N 2.280 111.070 108.800 -0.016 0.000 2.234 15 G HA2 -0.267 3.694 3.960 0.001 0.000 0.235 15 G HA3 -0.267 3.694 3.960 0.001 0.000 0.235 15 G C 0.349 175.239 174.900 -0.016 0.000 0.997 15 G CA 0.182 45.274 45.100 -0.012 0.000 0.623 15 G HN 0.779 nan 8.290 nan 0.000 0.514 16 T N 2.451 116.990 114.554 -0.024 0.000 2.901 16 T HA 0.496 4.847 4.350 0.001 0.000 0.301 16 T C 0.371 175.038 174.700 -0.056 0.000 1.012 16 T CA 0.665 62.746 62.100 -0.031 0.000 1.135 16 T CB 1.036 69.885 68.868 -0.032 0.000 0.936 16 T HN 0.678 nan 8.240 nan 0.000 0.539 17 Q N 2.553 122.317 119.800 -0.060 0.000 2.342 17 Q HA 0.715 5.056 4.340 0.001 0.000 0.267 17 Q C -0.635 175.230 176.000 -0.225 0.000 1.038 17 Q CA -1.166 54.550 55.803 -0.144 0.000 0.832 17 Q CB 2.297 31.006 28.738 -0.047 0.000 1.323 17 Q HN 0.480 nan 8.270 nan 0.000 0.448 18 R N 1.897 122.116 120.500 -0.467 0.000 2.673 18 R HA 0.517 4.857 4.340 0.001 0.000 0.281 18 R C -1.845 174.027 176.300 -0.712 0.000 0.991 18 R CA -0.540 55.321 56.100 -0.398 0.000 0.896 18 R CB 1.640 31.827 30.300 -0.188 0.000 1.201 18 R HN 0.763 nan 8.270 nan 0.000 0.457 19 Y N 2.615 122.916 120.300 0.001 0.000 2.406 19 Y HA 0.449 5.000 4.550 0.001 0.000 0.340 19 Y C -0.250 175.652 175.900 0.003 0.000 0.975 19 Y CA -0.865 57.238 58.100 0.006 0.000 1.056 19 Y CB 2.292 40.763 38.460 0.018 0.000 1.210 19 Y HN 0.348 nan 8.280 nan 0.000 0.448 20 V N -0.356 119.626 119.914 0.113 0.000 2.960 20 V HA 1.031 5.152 4.120 0.001 0.000 0.315 20 V C 0.575 176.702 176.094 0.054 0.000 1.087 20 V CA -0.328 62.010 62.300 0.063 0.000 0.982 20 V CB 1.123 32.960 31.823 0.023 0.000 1.039 20 V HN 1.168 nan 8.190 nan 0.000 0.437 21 G N 2.366 111.183 108.800 0.028 0.000 2.652 21 G HA2 -0.312 3.648 3.960 0.001 0.000 0.318 21 G HA3 -0.312 3.648 3.960 0.001 0.000 0.318 21 G C 1.027 175.933 174.900 0.011 0.000 1.295 21 G CA 1.053 46.157 45.100 0.007 0.000 0.999 21 G HN 0.994 nan 8.290 nan 0.000 0.548 22 R N 0.628 121.129 120.500 0.002 0.000 2.119 22 R HA -0.120 4.220 4.340 0.001 0.000 0.246 22 R C 2.273 178.583 176.300 0.017 0.000 1.146 22 R CA 2.186 58.286 56.100 0.000 0.000 0.962 22 R CB -0.878 29.421 30.300 -0.002 0.000 0.863 22 R HN 0.667 nan 8.270 nan 0.000 0.442 23 D N 0.091 120.518 120.400 0.045 0.000 2.117 23 D HA -0.104 4.537 4.640 0.001 0.000 0.197 23 D C 1.800 178.143 176.300 0.071 0.000 0.987 23 D CA 1.469 55.515 54.000 0.077 0.000 0.829 23 D CB -0.226 40.664 40.800 0.150 0.000 0.961 23 D HN 0.208 nan 8.370 nan 0.000 0.460 24 A N 0.946 123.823 122.820 0.095 0.000 1.902 24 A HA -0.230 4.091 4.320 0.001 0.000 0.217 24 A C 2.159 179.758 177.584 0.025 0.000 1.181 24 A CA 1.464 53.550 52.037 0.082 0.000 0.623 24 A CB -0.609 18.449 19.000 0.097 0.000 0.818 24 A HN 0.224 nan 8.150 nan 0.000 0.443 25 Q N -0.944 118.864 119.800 0.013 0.000 2.050 25 Q HA -0.191 4.150 4.340 0.001 0.000 0.202 25 Q C 2.377 178.365 176.000 -0.021 0.000 0.980 25 Q CA 1.640 57.439 55.803 -0.006 0.000 0.840 25 Q CB -0.256 28.471 28.738 -0.017 0.000 0.898 25 Q HN 0.728 nan 8.270 nan 0.000 0.424 26 R N 0.529 121.015 120.500 -0.023 0.000 2.083 26 R HA -0.166 4.174 4.340 0.001 0.000 0.237 26 R C 2.105 178.363 176.300 -0.070 0.000 1.137 26 R CA 1.189 57.266 56.100 -0.038 0.000 0.951 26 R CB -0.155 30.129 30.300 -0.027 0.000 0.851 26 R HN 0.179 nan 8.270 nan 0.000 0.434 27 L N 1.186 122.357 121.223 -0.086 0.000 2.017 27 L HA -0.138 4.203 4.340 0.001 0.000 0.208 27 L C 1.924 178.691 176.870 -0.172 0.000 1.073 27 L CA 1.961 56.712 54.840 -0.148 0.000 0.745 27 L CB -1.600 40.332 42.059 -0.211 0.000 0.894 27 L HN 0.388 nan 8.230 nan 0.000 0.432 28 N N -0.150 118.517 118.700 -0.055 0.000 2.084 28 N HA -0.153 4.588 4.740 0.001 0.000 0.190 28 N C 1.963 177.427 175.510 -0.076 0.000 1.030 28 N CA 0.899 53.944 53.050 -0.009 0.000 0.849 28 N CB -0.001 38.517 38.487 0.051 0.000 1.012 28 N HN 0.241 nan 8.380 nan 0.000 0.423 29 I N 0.941 121.474 120.570 -0.062 0.000 2.315 29 I HA -0.222 3.948 4.170 0.001 0.000 0.248 29 I C 2.245 178.311 176.117 -0.085 0.000 1.117 29 I CA 0.780 62.047 61.300 -0.055 0.000 1.404 29 I CB -0.122 37.857 38.000 -0.035 0.000 1.071 29 I HN 0.242 nan 8.210 nan 0.000 0.419 30 L N 0.517 121.671 121.223 -0.116 0.000 2.056 30 L HA -0.199 4.141 4.340 0.001 0.000 0.207 30 L C 2.753 179.522 176.870 -0.170 0.000 1.078 30 L CA 1.563 56.327 54.840 -0.126 0.000 0.749 30 L CB -0.341 41.640 42.059 -0.129 0.000 0.901 30 L HN 0.245 nan 8.230 nan 0.000 0.433 31 A N -0.409 122.243 122.820 -0.281 0.000 1.930 31 A HA -0.145 4.176 4.320 0.001 0.000 0.217 31 A C 2.383 179.864 177.584 -0.173 0.000 1.175 31 A CA 1.571 53.402 52.037 -0.342 0.000 0.627 31 A CB -0.609 17.902 19.000 -0.815 0.000 0.815 31 A HN 0.511 nan 8.150 nan 0.000 0.443 32 A N -0.424 122.322 122.820 -0.122 0.000 1.929 32 A HA -0.067 4.253 4.320 0.001 0.000 0.216 32 A C 2.231 179.781 177.584 -0.056 0.000 1.176 32 A CA 1.259 53.260 52.037 -0.061 0.000 0.628 32 A CB -0.373 18.607 19.000 -0.033 0.000 0.816 32 A HN 0.530 nan 8.150 nan 0.000 0.444 33 R N -0.485 119.977 120.500 -0.064 0.000 2.066 33 R HA -0.013 4.327 4.340 0.001 0.000 0.232 33 R C 1.976 178.244 176.300 -0.054 0.000 1.131 33 R CA 1.561 57.629 56.100 -0.054 0.000 0.955 33 R CB -0.494 29.775 30.300 -0.052 0.000 0.851 33 R HN 0.538 nan 8.270 nan 0.000 0.432 34 I N 0.823 121.354 120.570 -0.065 0.000 2.194 34 I HA -0.317 3.853 4.170 0.001 0.000 0.246 34 I C 2.161 178.250 176.117 -0.046 0.000 1.093 34 I CA 1.097 62.362 61.300 -0.058 0.000 1.355 34 I CB -0.255 37.703 38.000 -0.070 0.000 1.046 34 I HN 0.154 nan 8.210 nan 0.000 0.413 35 I N 0.939 121.481 120.570 -0.046 0.000 2.179 35 I HA -0.274 3.896 4.170 0.001 0.000 0.242 35 I C 2.863 178.962 176.117 -0.030 0.000 1.088 35 I CA 1.795 63.076 61.300 -0.032 0.000 1.357 35 I CB -1.558 36.427 38.000 -0.025 0.000 1.051 35 I HN 0.196 nan 8.210 nan 0.000 0.409 36 A N 0.464 123.264 122.820 -0.034 0.000 1.902 36 A HA -0.218 4.102 4.320 0.001 0.000 0.217 36 A C 2.226 179.790 177.584 -0.035 0.000 1.181 36 A CA 1.648 53.664 52.037 -0.034 0.000 0.623 36 A CB -0.677 18.300 19.000 -0.039 0.000 0.818 36 A HN 0.487 nan 8.150 nan 0.000 0.443 37 E N -0.920 119.259 120.200 -0.036 0.000 2.204 37 E HA -0.110 4.240 4.350 0.001 0.000 0.195 37 E C 1.918 178.501 176.600 -0.030 0.000 0.990 37 E CA 1.426 57.805 56.400 -0.034 0.000 0.821 37 E CB -0.222 29.457 29.700 -0.035 0.000 0.750 37 E HN 0.612 nan 8.360 nan 0.000 0.477 38 T N 0.336 114.873 114.554 -0.028 0.000 2.857 38 T HA -0.107 4.244 4.350 0.001 0.000 0.266 38 T C 2.053 176.740 174.700 -0.022 0.000 1.048 38 T CA 1.375 63.461 62.100 -0.023 0.000 1.139 38 T CB 0.040 68.895 68.868 -0.021 0.000 0.874 38 T HN 0.204 nan 8.240 nan 0.000 0.455 39 V N 1.208 121.108 119.914 -0.023 0.000 3.471 39 V HA 0.162 4.282 4.120 0.001 0.000 0.258 39 V C 2.262 178.340 176.094 -0.026 0.000 1.192 39 V CA 0.459 62.746 62.300 -0.022 0.000 1.116 39 V CB -0.677 31.134 31.823 -0.020 0.000 0.792 39 V HN 0.420 nan 8.190 nan 0.000 0.459 40 R N 1.108 121.591 120.500 -0.029 0.000 2.127 40 R HA -0.096 4.245 4.340 0.001 0.000 0.238 40 R C 1.810 178.091 176.300 -0.033 0.000 1.134 40 R CA 1.957 58.037 56.100 -0.033 0.000 0.975 40 R CB -1.735 28.543 30.300 -0.037 0.000 0.865 40 R HN 0.434 nan 8.270 nan 0.000 0.447 41 T N 0.599 115.135 114.554 -0.029 0.000 3.077 41 T HA -0.088 4.263 4.350 0.001 0.000 0.269 41 T C 1.516 176.200 174.700 -0.027 0.000 1.146 41 T CA 1.574 63.657 62.100 -0.028 0.000 1.091 41 T CB -0.151 68.703 68.868 -0.024 0.000 0.892 41 T HN 0.662 nan 8.240 nan 0.000 0.533 42 T N -0.813 113.725 114.554 -0.025 0.000 3.060 42 T HA 0.275 4.626 4.350 0.001 0.000 0.249 42 T C 0.577 175.260 174.700 -0.027 0.000 1.079 42 T CA -0.439 61.647 62.100 -0.023 0.000 1.013 42 T CB -0.284 68.573 68.868 -0.018 0.000 0.975 42 T HN 0.151 nan 8.240 nan 0.000 0.518 43 L N 2.799 124.002 121.223 -0.033 0.000 2.462 43 L HA 0.524 4.865 4.340 0.001 0.000 0.272 43 L C 0.836 177.676 176.870 -0.050 0.000 1.166 43 L CA 1.606 56.423 54.840 -0.039 0.000 0.880 43 L CB -0.592 41.441 42.059 -0.042 0.000 1.142 43 L HN 0.691 nan 8.230 nan 0.000 0.473 44 G N 4.209 112.979 108.800 -0.049 0.000 2.760 44 G HA2 -0.205 3.755 3.960 0.001 0.000 0.246 44 G HA3 -0.205 3.755 3.960 0.001 0.000 0.246 44 G C -1.974 172.881 174.900 -0.075 0.000 1.359 44 G CA -0.402 44.657 45.100 -0.070 0.000 0.861 44 G HN 0.514 nan 8.290 nan 0.000 0.541 45 P HA -0.024 nan 4.420 nan 0.000 0.218 45 P C 1.434 178.675 177.300 -0.099 0.000 1.148 45 P CA 1.714 64.738 63.100 -0.126 0.000 0.822 45 P CB 0.089 31.536 31.700 -0.422 0.000 0.784 46 K N -0.799 119.514 120.400 -0.145 0.000 2.397 46 K HA 0.259 4.580 4.320 0.001 0.000 0.202 46 K C 1.026 177.597 176.600 -0.050 0.000 1.022 46 K CA -0.002 56.235 56.287 -0.083 0.000 1.141 46 K CB -0.043 32.391 32.500 -0.110 0.000 0.857 46 K HN 0.069 nan 8.250 nan 0.000 0.514 47 G N 1.158 109.931 108.800 -0.046 0.000 2.467 47 G HA2 0.308 4.269 3.960 0.001 0.000 0.257 47 G HA3 0.308 4.269 3.960 0.001 0.000 0.257 47 G C 0.126 175.015 174.900 -0.017 0.000 1.227 47 G CA -0.334 44.746 45.100 -0.033 0.000 0.835 47 G HN -0.089 nan 8.290 nan 0.000 0.556 48 M N 0.457 120.047 119.600 -0.016 0.000 2.792 48 M HA 0.445 4.926 4.480 0.001 0.000 0.294 48 M C -0.391 175.904 176.300 -0.009 0.000 1.215 48 M CA -0.753 54.541 55.300 -0.010 0.000 0.883 48 M CB 1.477 34.071 32.600 -0.010 0.000 1.620 48 M HN 0.379 nan 8.290 nan 0.000 0.511 49 D N 0.271 120.666 120.400 -0.008 0.000 2.449 49 D HA 0.555 5.196 4.640 0.001 0.000 0.250 49 D C -0.674 175.620 176.300 -0.010 0.000 1.050 49 D CA -0.433 53.562 54.000 -0.007 0.000 1.024 49 D CB 1.256 42.053 40.800 -0.004 0.000 1.218 49 D HN 0.256 nan 8.370 nan 0.000 0.566 50 K N 0.104 120.499 120.400 -0.008 0.000 2.318 50 K HA 0.541 4.861 4.320 0.001 0.000 0.249 50 K C -0.651 175.943 176.600 -0.010 0.000 0.942 50 K CA -0.780 55.501 56.287 -0.010 0.000 0.808 50 K CB 2.711 35.206 32.500 -0.008 0.000 1.189 50 K HN 0.279 nan 8.250 nan 0.000 0.428 51 M N 4.085 123.676 119.600 -0.016 0.000 2.114 51 M HA 0.345 4.826 4.480 0.001 0.000 0.332 51 M C -1.721 174.573 176.300 -0.010 0.000 1.014 51 M CA -0.695 54.593 55.300 -0.021 0.000 0.956 51 M CB 0.556 33.132 32.600 -0.039 0.000 1.551 51 M HN 0.484 nan 8.290 nan 0.000 0.427 52 L N 6.092 127.316 121.223 0.002 0.000 2.287 52 L HA 0.626 4.967 4.340 0.001 0.000 0.287 52 L C -1.009 175.869 176.870 0.013 0.000 1.022 52 L CA -0.988 53.856 54.840 0.007 0.000 0.814 52 L CB 1.615 43.681 42.059 0.012 0.000 1.217 52 L HN 0.408 nan 8.230 nan 0.000 0.420 53 V N 1.594 121.513 119.914 0.009 0.000 2.378 53 V HA 0.238 4.359 4.120 0.001 0.000 0.288 53 V C -0.268 175.833 176.094 0.012 0.000 1.016 53 V CA -0.897 61.410 62.300 0.012 0.000 0.840 53 V CB 1.482 33.309 31.823 0.006 0.000 0.994 53 V HN 0.803 nan 8.190 nan 0.000 0.431 54 D N 3.504 123.914 120.400 0.015 0.000 2.398 54 D HA 0.117 4.758 4.640 0.001 0.000 0.264 54 D C 1.499 177.806 176.300 0.011 0.000 1.263 54 D CA 0.144 54.152 54.000 0.012 0.000 1.037 54 D CB 0.462 41.270 40.800 0.013 0.000 1.101 54 D HN 0.437 nan 8.370 nan 0.000 0.551 55 S N -1.118 114.587 115.700 0.009 0.000 2.423 55 S HA -0.103 4.367 4.470 0.001 0.000 0.231 55 S C 1.832 176.437 174.600 0.009 0.000 1.014 55 S CA 0.404 58.609 58.200 0.008 0.000 0.965 55 S CB -0.718 62.487 63.200 0.007 0.000 0.785 55 S HN 0.506 nan 8.310 nan 0.000 0.495 56 L N 0.908 122.137 121.223 0.010 0.000 2.599 56 L HA 0.310 4.651 4.340 0.001 0.000 0.230 56 L C 1.897 178.774 176.870 0.013 0.000 1.141 56 L CA 0.390 55.236 54.840 0.010 0.000 0.877 56 L CB -0.797 41.268 42.059 0.010 0.000 1.009 56 L HN 0.599 nan 8.230 nan 0.000 0.447 57 G N 0.009 108.818 108.800 0.014 0.000 2.157 57 G HA2 -0.259 3.701 3.960 0.001 0.000 0.248 57 G HA3 -0.259 3.701 3.960 0.001 0.000 0.248 57 G C -0.132 174.784 174.900 0.027 0.000 0.979 57 G CA -0.067 45.044 45.100 0.017 0.000 0.650 57 G HN 0.364 nan 8.290 nan 0.000 0.529 58 D N 0.180 120.597 120.400 0.028 0.000 2.389 58 D HA 0.530 5.170 4.640 0.001 0.000 0.247 58 D C 0.841 177.176 176.300 0.058 0.000 1.128 58 D CA 0.291 54.315 54.000 0.041 0.000 0.884 58 D CB 0.702 41.519 40.800 0.028 0.000 1.194 58 D HN 0.341 nan 8.370 nan 0.000 0.441 59 I N 2.307 122.942 120.570 0.108 0.000 2.412 59 I HA 0.359 4.529 4.170 0.001 0.000 0.296 59 I C -0.627 175.620 176.117 0.217 0.000 0.987 59 I CA -0.878 60.504 61.300 0.137 0.000 1.180 59 I CB 1.713 39.780 38.000 0.112 0.000 1.340 59 I HN -0.020 nan 8.210 nan 0.000 0.455 60 V N 6.834 126.821 119.914 0.122 0.000 2.482 60 V HA 0.372 4.492 4.120 0.001 0.000 0.295 60 V C -0.377 175.763 176.094 0.078 0.000 1.026 60 V CA -0.644 61.727 62.300 0.119 0.000 0.856 60 V CB 2.035 33.893 31.823 0.059 0.000 1.001 60 V HN 0.392 nan 8.190 nan 0.000 0.424 61 V N 4.249 124.229 119.914 0.110 0.000 2.378 61 V HA 0.799 4.920 4.120 0.001 0.000 0.288 61 V C 0.055 176.176 176.094 0.045 0.000 1.016 61 V CA 0.019 62.343 62.300 0.040 0.000 0.840 61 V CB 1.598 33.417 31.823 -0.007 0.000 0.994 61 V HN 0.988 nan 8.190 nan 0.000 0.431 62 T N 2.543 117.110 114.554 0.020 0.000 2.711 62 T HA 0.310 4.660 4.350 0.001 0.000 0.302 62 T C 0.111 174.813 174.700 0.003 0.000 1.373 62 T CA -0.283 61.824 62.100 0.013 0.000 1.000 62 T CB 2.063 70.937 68.868 0.010 0.000 1.483 62 T HN 0.615 nan 8.240 nan 0.000 0.499 63 N N 0.278 118.977 118.700 -0.001 0.000 2.210 63 N HA 0.077 4.817 4.740 0.001 0.000 0.203 63 N C -0.472 175.033 175.510 -0.008 0.000 1.175 63 N CA 0.017 53.064 53.050 -0.005 0.000 0.894 63 N CB 0.477 38.962 38.487 -0.003 0.000 1.041 63 N HN 0.626 nan 8.380 nan 0.000 0.506 64 D N 1.061 121.456 120.400 -0.008 0.000 2.346 64 D HA 0.005 4.645 4.640 0.001 0.000 0.260 64 D C 1.515 177.810 176.300 -0.009 0.000 1.252 64 D CA -0.073 53.921 54.000 -0.010 0.000 0.895 64 D CB 0.768 41.560 40.800 -0.013 0.000 1.097 64 D HN 0.137 nan 8.370 nan 0.000 0.489 65 C N 4.146 123.440 119.300 -0.010 0.000 2.401 65 C HA -0.168 4.293 4.460 0.001 0.000 0.276 65 C C 2.556 177.542 174.990 -0.006 0.000 1.233 65 C CA 1.434 60.447 59.018 -0.009 0.000 1.753 65 C CB -1.282 26.451 27.740 -0.012 0.000 2.029 65 C HN 0.794 nan 8.230 nan 0.000 0.478 66 A N -0.476 122.340 122.820 -0.006 0.000 1.902 66 A HA -0.144 4.177 4.320 0.001 0.000 0.217 66 A C 2.320 179.903 177.584 -0.002 0.000 1.181 66 A CA 2.654 54.689 52.037 -0.003 0.000 0.623 66 A CB -1.351 17.648 19.000 -0.002 0.000 0.818 66 A HN 0.641 nan 8.150 nan 0.000 0.443 67 T N 0.277 114.829 114.554 -0.004 0.000 2.746 67 T HA -0.077 4.274 4.350 0.001 0.000 0.267 67 T C 1.807 176.507 174.700 0.001 0.000 1.039 67 T CA 1.445 63.544 62.100 -0.002 0.000 1.142 67 T CB -0.400 68.466 68.868 -0.004 0.000 0.866 67 T HN 0.417 nan 8.240 nan 0.000 0.444 68 I N 0.802 121.372 120.570 -0.001 0.000 2.163 68 I HA -0.151 4.020 4.170 0.001 0.000 0.243 68 I C 2.223 178.340 176.117 0.001 0.000 1.085 68 I CA 1.360 62.660 61.300 -0.000 0.000 1.347 68 I CB -0.369 37.629 38.000 -0.003 0.000 1.044 68 I HN 0.210 nan 8.210 nan 0.000 0.408 69 L N 0.053 121.276 121.223 -0.000 0.000 2.201 69 L HA -0.199 4.142 4.340 0.001 0.000 0.212 69 L C 2.079 178.951 176.870 0.004 0.000 1.105 69 L CA 1.110 55.951 54.840 0.001 0.000 0.775 69 L CB -0.584 41.475 42.059 0.001 0.000 0.913 69 L HN 0.298 nan 8.230 nan 0.000 0.440 70 D N 0.104 120.507 120.400 0.004 0.000 2.137 70 D HA -0.147 4.493 4.640 0.001 0.000 0.202 70 D C 2.109 178.412 176.300 0.006 0.000 0.970 70 D CA 1.057 55.060 54.000 0.005 0.000 0.837 70 D CB 0.283 41.085 40.800 0.004 0.000 0.981 70 D HN -0.097 nan 8.370 nan 0.000 0.475 71 K N -0.035 120.368 120.400 0.006 0.000 2.296 71 K HA 0.108 4.428 4.320 0.001 0.000 0.200 71 K C 0.585 177.189 176.600 0.008 0.000 1.048 71 K CA 0.084 56.375 56.287 0.008 0.000 0.966 71 K CB 0.216 32.722 32.500 0.010 0.000 0.754 71 K HN 0.336 nan 8.250 nan 0.000 0.466 72 I N 1.846 122.420 120.570 0.006 0.000 2.519 72 I HA -0.040 4.131 4.170 0.001 0.000 0.287 72 I C 0.264 176.386 176.117 0.008 0.000 1.047 72 I CA -0.388 60.916 61.300 0.006 0.000 1.381 72 I CB 0.672 38.675 38.000 0.005 0.000 1.417 72 I HN -0.105 nan 8.210 nan 0.000 0.540 73 D N 7.033 127.438 120.400 0.009 0.000 2.522 73 D HA 0.278 4.918 4.640 0.001 0.000 0.218 73 D C -0.315 175.993 176.300 0.013 0.000 1.149 73 D CA -0.205 53.801 54.000 0.010 0.000 0.981 73 D CB 0.026 40.831 40.800 0.009 0.000 1.041 73 D HN 0.246 nan 8.370 nan 0.000 0.518 74 L N 2.508 123.740 121.223 0.015 0.000 2.426 74 L HA 0.135 4.475 4.340 0.001 0.000 0.271 74 L C 1.570 178.456 176.870 0.026 0.000 1.169 74 L CA -0.328 54.526 54.840 0.023 0.000 0.836 74 L CB 1.040 43.115 42.059 0.026 0.000 1.112 74 L HN 0.321 nan 8.230 nan 0.000 0.465 75 Q N 0.337 120.161 119.800 0.039 0.000 2.481 75 Q HA 0.051 4.392 4.340 0.001 0.000 0.219 75 Q C 0.303 176.324 176.000 0.034 0.000 0.920 75 Q CA 0.443 56.266 55.803 0.032 0.000 0.915 75 Q CB 0.039 28.797 28.738 0.033 0.000 1.057 75 Q HN 0.595 nan 8.270 nan 0.000 0.581 76 H N 3.007 122.068 119.070 -0.015 0.000 2.886 76 H HA 0.005 4.561 4.556 0.001 0.000 0.329 76 H C -1.585 173.733 175.328 -0.017 0.000 1.044 76 H CA -1.002 55.032 56.048 -0.023 0.000 1.456 76 H CB 1.286 31.025 29.762 -0.040 0.000 1.464 76 H HN -0.096 nan 8.280 nan 0.000 0.573 77 P HA -0.200 nan 4.420 nan 0.000 0.215 77 P C 0.954 178.308 177.300 0.089 0.000 1.153 77 P CA 2.038 65.098 63.100 -0.067 0.000 0.853 77 P CB 0.089 31.701 31.700 -0.147 0.000 0.788 78 A N -0.086 122.917 122.820 0.305 0.000 1.933 78 A HA -0.111 4.209 4.320 0.001 0.000 0.218 78 A C 2.316 179.980 177.584 0.132 0.000 1.175 78 A CA 2.072 54.243 52.037 0.224 0.000 0.628 78 A CB -1.573 17.559 19.000 0.221 0.000 0.814 78 A HN 0.205 nan 8.150 nan 0.000 0.444 79 A N -0.154 122.762 122.820 0.160 0.000 1.898 79 A HA -0.118 4.202 4.320 0.001 0.000 0.216 79 A C 2.087 179.701 177.584 0.051 0.000 1.181 79 A CA 1.614 53.691 52.037 0.066 0.000 0.620 79 A CB -0.384 18.654 19.000 0.063 0.000 0.819 79 A HN 0.521 nan 8.150 nan 0.000 0.442 80 K N -0.772 119.663 120.400 0.059 0.000 2.147 80 K HA -0.057 4.264 4.320 0.001 0.000 0.205 80 K C 1.915 178.532 176.600 0.028 0.000 1.049 80 K CA 1.536 57.843 56.287 0.034 0.000 0.936 80 K CB -0.288 32.226 32.500 0.025 0.000 0.722 80 K HN 0.516 nan 8.250 nan 0.000 0.446 81 M N -0.266 119.356 119.600 0.036 0.000 2.296 81 M HA -0.110 4.371 4.480 0.001 0.000 0.265 81 M C 2.099 178.413 176.300 0.024 0.000 1.064 81 M CA 1.105 56.423 55.300 0.030 0.000 1.109 81 M CB -0.104 32.517 32.600 0.036 0.000 1.396 81 M HN 0.080 nan 8.290 nan 0.000 0.430 82 M N -0.262 119.351 119.600 0.022 0.000 2.254 82 M HA -0.081 4.399 4.480 0.001 0.000 0.265 82 M C 1.838 178.143 176.300 0.009 0.000 1.066 82 M CA 1.203 56.510 55.300 0.012 0.000 1.123 82 M CB -0.199 32.403 32.600 0.005 0.000 1.388 82 M HN -0.001 nan 8.290 nan 0.000 0.425 83 V N 0.212 120.133 119.914 0.011 0.000 2.392 83 V HA -0.297 3.824 4.120 0.001 0.000 0.249 83 V C 2.019 178.119 176.094 0.009 0.000 1.059 83 V CA 1.992 64.298 62.300 0.009 0.000 1.051 83 V CB -0.888 30.941 31.823 0.011 0.000 0.658 83 V HN 0.507 nan 8.190 nan 0.000 0.455 84 E N -0.145 120.062 120.200 0.012 0.000 2.153 84 E HA -0.163 4.188 4.350 0.001 0.000 0.194 84 E C 2.244 178.851 176.600 0.011 0.000 0.988 84 E CA 1.313 57.720 56.400 0.012 0.000 0.811 84 E CB -0.224 29.485 29.700 0.015 0.000 0.746 84 E HN 0.501 nan 8.360 nan 0.000 0.466 85 V N 1.582 121.502 119.914 0.010 0.000 2.295 85 V HA -0.279 3.842 4.120 0.001 0.000 0.246 85 V C 2.399 178.496 176.094 0.004 0.000 1.049 85 V CA 1.925 64.230 62.300 0.008 0.000 1.024 85 V CB -0.710 31.116 31.823 0.004 0.000 0.648 85 V HN 0.315 nan 8.190 nan 0.000 0.447 86 A N -0.397 122.424 122.820 0.002 0.000 1.902 86 A HA -0.183 4.138 4.320 0.001 0.000 0.217 86 A C 2.301 179.887 177.584 0.003 0.000 1.181 86 A CA 1.574 53.611 52.037 0.000 0.000 0.623 86 A CB -0.379 18.620 19.000 -0.002 0.000 0.818 86 A HN 0.428 nan 8.150 nan 0.000 0.443 87 K N -0.604 119.799 120.400 0.005 0.000 2.025 87 K HA -0.085 4.236 4.320 0.001 0.000 0.207 87 K C 2.086 178.691 176.600 0.009 0.000 1.049 87 K CA 1.805 58.096 56.287 0.007 0.000 0.933 87 K CB -1.009 31.496 32.500 0.008 0.000 0.714 87 K HN 0.477 nan 8.250 nan 0.000 0.438 88 T N 1.605 116.165 114.554 0.010 0.000 2.777 88 T HA -0.165 4.186 4.350 0.001 0.000 0.266 88 T C 1.962 176.668 174.700 0.011 0.000 1.040 88 T CA 1.561 63.667 62.100 0.011 0.000 1.141 88 T CB -0.108 68.768 68.868 0.013 0.000 0.868 88 T HN 0.224 nan 8.240 nan 0.000 0.444 89 Q N 1.518 121.324 119.800 0.009 0.000 2.061 89 Q HA -0.150 4.191 4.340 0.001 0.000 0.204 89 Q C 1.882 177.887 176.000 0.008 0.000 0.984 89 Q CA 2.148 57.956 55.803 0.007 0.000 0.846 89 Q CB -0.635 28.105 28.738 0.003 0.000 0.902 89 Q HN 0.514 nan 8.270 nan 0.000 0.421 90 D N -0.682 119.723 120.400 0.007 0.000 2.117 90 D HA -0.155 4.486 4.640 0.001 0.000 0.197 90 D C 1.514 177.821 176.300 0.012 0.000 0.987 90 D CA 1.391 55.396 54.000 0.007 0.000 0.829 90 D CB 0.090 40.893 40.800 0.005 0.000 0.961 90 D HN 0.268 nan 8.370 nan 0.000 0.460 91 K N -0.168 120.239 120.400 0.012 0.000 2.057 91 K HA -0.080 4.241 4.320 0.001 0.000 0.206 91 K C 2.106 178.716 176.600 0.016 0.000 1.050 91 K CA 0.915 57.211 56.287 0.015 0.000 0.935 91 K CB 0.065 32.574 32.500 0.014 0.000 0.715 91 K HN 0.190 nan 8.250 nan 0.000 0.439 92 E N -0.318 119.891 120.200 0.015 0.000 2.122 92 E HA -0.051 4.300 4.350 0.001 0.000 0.190 92 E C 1.427 178.036 176.600 0.016 0.000 0.977 92 E CA 1.038 57.447 56.400 0.015 0.000 0.820 92 E CB 0.401 30.109 29.700 0.015 0.000 0.770 92 E HN 0.276 nan 8.360 nan 0.000 0.462 93 A N -0.980 121.849 122.820 0.015 0.000 2.427 93 A HA 0.500 4.821 4.320 0.001 0.000 0.225 93 A C 1.409 179.001 177.584 0.014 0.000 1.257 93 A CA 1.047 53.093 52.037 0.015 0.000 0.985 93 A CB 0.713 19.721 19.000 0.012 0.000 1.136 93 A HN 0.261 nan 8.150 nan 0.000 0.538 94 G N 0.209 109.017 108.800 0.013 0.000 5.347 94 G HA2 -0.272 3.688 3.960 0.001 0.000 0.299 94 G HA3 -0.272 3.688 3.960 0.001 0.000 0.299 94 G C 0.045 174.949 174.900 0.006 0.000 1.492 94 G CA 0.329 45.436 45.100 0.012 0.000 0.991 94 G HN 0.460 nan 8.290 nan 0.000 0.749 95 D N 1.865 122.269 120.400 0.006 0.000 2.384 95 D HA 0.474 5.114 4.640 0.001 0.000 0.244 95 D C 1.427 177.727 176.300 -0.000 0.000 1.251 95 D CA 1.708 55.709 54.000 0.002 0.000 0.961 95 D CB 0.337 41.140 40.800 0.004 0.000 1.116 95 D HN 1.822 nan 8.370 nan 0.000 0.484 96 G N -0.492 108.306 108.800 -0.004 0.000 2.136 96 G HA2 -0.303 3.657 3.960 0.001 0.000 0.242 96 G HA3 -0.303 3.657 3.960 0.001 0.000 0.242 96 G C 1.034 175.929 174.900 -0.009 0.000 0.989 96 G CA 1.178 46.274 45.100 -0.008 0.000 0.682 96 G HN 0.581 nan 8.290 nan 0.000 0.522 97 T N -3.372 111.177 114.554 -0.009 0.000 2.857 97 T HA -0.024 4.327 4.350 0.001 0.000 0.266 97 T C 2.225 176.916 174.700 -0.014 0.000 1.048 97 T CA 2.368 64.462 62.100 -0.009 0.000 1.139 97 T CB -0.373 68.491 68.868 -0.006 0.000 0.874 97 T HN 0.265 nan 8.240 nan 0.000 0.455 98 T N 2.015 116.559 114.554 -0.017 0.000 2.770 98 T HA -0.057 4.293 4.350 0.001 0.000 0.263 98 T C 2.249 176.932 174.700 -0.028 0.000 1.039 98 T CA 1.727 63.814 62.100 -0.022 0.000 1.142 98 T CB -0.931 67.923 68.868 -0.023 0.000 0.868 98 T HN 0.468 nan 8.240 nan 0.000 0.435 99 T N 2.206 116.743 114.554 -0.028 0.000 2.665 99 T HA -0.121 4.230 4.350 0.001 0.000 0.268 99 T C 2.377 177.053 174.700 -0.040 0.000 1.035 99 T CA 1.359 63.438 62.100 -0.035 0.000 1.151 99 T CB -0.622 68.228 68.868 -0.030 0.000 0.862 99 T HN 0.440 nan 8.240 nan 0.000 0.438 100 A N 0.888 123.690 122.820 -0.030 0.000 1.865 100 A HA -0.077 4.244 4.320 0.001 0.000 0.217 100 A C 2.617 180.180 177.584 -0.035 0.000 1.191 100 A CA 1.644 53.663 52.037 -0.029 0.000 0.623 100 A CB -1.112 17.879 19.000 -0.015 0.000 0.826 100 A HN 0.353 nan 8.150 nan 0.000 0.444 101 V N -0.317 119.580 119.914 -0.029 0.000 2.343 101 V HA -0.233 3.887 4.120 0.001 0.000 0.247 101 V C 2.571 178.641 176.094 -0.040 0.000 1.051 101 V CA 2.005 64.288 62.300 -0.028 0.000 1.036 101 V CB -0.741 31.069 31.823 -0.022 0.000 0.654 101 V HN 0.376 nan 8.190 nan 0.000 0.451 102 V N -0.358 119.528 119.914 -0.046 0.000 2.427 102 V HA -0.231 3.889 4.120 0.001 0.000 0.248 102 V C 2.133 178.181 176.094 -0.075 0.000 1.051 102 V CA 2.012 64.279 62.300 -0.055 0.000 1.048 102 V CB -0.430 31.361 31.823 -0.053 0.000 0.666 102 V HN 0.445 nan 8.190 nan 0.000 0.456 103 I N 0.209 120.725 120.570 -0.089 0.000 2.286 103 I HA -0.182 3.989 4.170 0.001 0.000 0.245 103 I C 2.680 178.708 176.117 -0.147 0.000 1.104 103 I CA 1.282 62.499 61.300 -0.138 0.000 1.397 103 I CB -0.549 37.358 38.000 -0.154 0.000 1.072 103 I HN 0.284 nan 8.210 nan 0.000 0.417 104 A N 1.033 123.793 122.820 -0.099 0.000 1.883 104 A HA -0.179 4.141 4.320 0.001 0.000 0.217 104 A C 2.430 179.982 177.584 -0.055 0.000 1.186 104 A CA 2.095 54.090 52.037 -0.070 0.000 0.624 104 A CB -1.527 17.454 19.000 -0.032 0.000 0.822 104 A HN 0.460 nan 8.150 nan 0.000 0.444 105 G N -0.624 108.145 108.800 -0.051 0.000 2.446 105 G HA2 -0.274 3.687 3.960 0.001 0.000 0.217 105 G HA3 -0.274 3.687 3.960 0.001 0.000 0.217 105 G C 1.478 176.349 174.900 -0.048 0.000 1.168 105 G CA 1.434 46.508 45.100 -0.043 0.000 0.771 105 G HN 0.584 nan 8.290 nan 0.000 0.551 106 E N -0.179 119.978 120.200 -0.072 0.000 2.077 106 E HA -0.065 4.286 4.350 0.001 0.000 0.193 106 E C 2.399 178.953 176.600 -0.076 0.000 0.989 106 E CA 0.428 56.781 56.400 -0.077 0.000 0.800 106 E CB -0.356 29.281 29.700 -0.104 0.000 0.746 106 E HN 0.217 nan 8.360 nan 0.000 0.452 107 L N 0.335 121.484 121.223 -0.123 0.000 2.012 107 L HA -0.149 4.192 4.340 0.001 0.000 0.210 107 L C 2.288 179.237 176.870 0.132 0.000 1.073 107 L CA 1.586 56.361 54.840 -0.108 0.000 0.748 107 L CB -0.941 40.977 42.059 -0.234 0.000 0.891 107 L HN 0.299 nan 8.230 nan 0.000 0.431 108 L N -1.295 119.975 121.223 0.079 0.000 2.083 108 L HA -0.213 4.128 4.340 0.001 0.000 0.209 108 L C 2.742 179.640 176.870 0.047 0.000 1.083 108 L CA 1.049 55.936 54.840 0.079 0.000 0.752 108 L CB -0.475 41.603 42.059 0.032 0.000 0.899 108 L HN 0.297 nan 8.230 nan 0.000 0.433 109 R N 0.511 121.025 120.500 0.022 0.000 2.066 109 R HA -0.147 4.194 4.340 0.001 0.000 0.232 109 R C 2.242 178.558 176.300 0.028 0.000 1.131 109 R CA 1.218 57.323 56.100 0.008 0.000 0.955 109 R CB 0.045 30.339 30.300 -0.010 0.000 0.851 109 R HN 0.232 nan 8.270 nan 0.000 0.432 110 K N 0.101 120.534 120.400 0.055 0.000 2.148 110 K HA -0.060 4.261 4.320 0.001 0.000 0.204 110 K C 1.989 178.652 176.600 0.105 0.000 1.050 110 K CA 1.122 57.459 56.287 0.083 0.000 0.942 110 K CB -0.111 32.453 32.500 0.106 0.000 0.724 110 K HN 0.233 nan 8.250 nan 0.000 0.446 111 A N 1.558 124.453 122.820 0.125 0.000 1.898 111 A HA -0.189 4.131 4.320 0.001 0.000 0.216 111 A C 2.095 179.664 177.584 -0.025 0.000 1.181 111 A CA 1.512 53.550 52.037 0.001 0.000 0.620 111 A CB -0.393 18.564 19.000 -0.071 0.000 0.819 111 A HN 0.398 nan 8.150 nan 0.000 0.442 112 E N -0.024 120.173 120.200 -0.006 0.000 2.204 112 E HA -0.217 4.134 4.350 0.001 0.000 0.195 112 E C 1.795 178.387 176.600 -0.013 0.000 0.990 112 E CA 1.260 57.649 56.400 -0.017 0.000 0.821 112 E CB -0.104 29.588 29.700 -0.014 0.000 0.750 112 E HN 0.756 nan 8.360 nan 0.000 0.477 113 E N 0.109 120.309 120.200 -0.001 0.000 2.110 113 E HA -0.181 4.169 4.350 0.001 0.000 0.193 113 E C 2.145 178.742 176.600 -0.004 0.000 0.988 113 E CA 0.931 57.331 56.400 0.001 0.000 0.804 113 E CB -0.011 29.697 29.700 0.013 0.000 0.745 113 E HN 0.368 nan 8.360 nan 0.000 0.458 114 L N 0.515 121.732 121.223 -0.009 0.000 2.156 114 L HA -0.111 4.229 4.340 0.001 0.000 0.208 114 L C 2.376 179.229 176.870 -0.028 0.000 1.095 114 L CA 0.514 55.344 54.840 -0.017 0.000 0.770 114 L CB -0.238 41.803 42.059 -0.030 0.000 0.914 114 L HN 0.152 nan 8.230 nan 0.000 0.439 115 L N -0.297 120.903 121.223 -0.039 0.000 2.093 115 L HA -0.226 4.115 4.340 0.001 0.000 0.208 115 L C 2.376 179.227 176.870 -0.032 0.000 1.085 115 L CA 1.305 56.118 54.840 -0.045 0.000 0.755 115 L CB -0.539 41.489 42.059 -0.051 0.000 0.904 115 L HN 0.375 nan 8.230 nan 0.000 0.435 116 D N -0.062 120.325 120.400 -0.023 0.000 2.264 116 D HA -0.242 4.399 4.640 0.001 0.000 0.208 116 D C 1.924 178.216 176.300 -0.013 0.000 0.966 116 D CA 0.878 54.869 54.000 -0.016 0.000 0.864 116 D CB 0.240 41.033 40.800 -0.012 0.000 0.933 116 D HN 0.394 nan 8.370 nan 0.000 0.499 117 Q N 0.218 120.011 119.800 -0.011 0.000 2.403 117 Q HA 0.011 4.352 4.340 0.001 0.000 0.203 117 Q C -0.071 175.925 176.000 -0.006 0.000 0.932 117 Q CA 0.169 55.968 55.803 -0.006 0.000 0.945 117 Q CB -0.104 28.632 28.738 -0.003 0.000 1.045 117 Q HN 0.284 nan 8.270 nan 0.000 0.511 118 N N -0.440 118.252 118.700 -0.013 0.000 2.850 118 N HA -0.173 4.568 4.740 0.001 0.000 0.249 118 N C -0.886 174.623 175.510 -0.002 0.000 1.060 118 N CA 0.153 53.196 53.050 -0.012 0.000 0.825 118 N CB -1.054 37.430 38.487 -0.004 0.000 1.132 118 N HN 0.275 nan 8.380 nan 0.000 0.564 119 I N 1.601 122.169 120.570 -0.003 0.000 2.496 119 I HA -0.006 4.165 4.170 0.001 0.000 0.285 119 I C 1.244 177.376 176.117 0.024 0.000 1.080 119 I CA -0.197 61.113 61.300 0.017 0.000 1.404 119 I CB 0.350 38.351 38.000 0.002 0.000 1.403 119 I HN 0.176 nan 8.210 nan 0.000 0.539 120 H N 9.586 128.639 119.070 -0.029 0.000 3.004 120 H HA 0.042 4.599 4.556 0.001 0.000 0.316 120 H C -1.565 173.738 175.328 -0.042 0.000 1.014 120 H CA -1.357 54.674 56.048 -0.029 0.000 1.454 120 H CB 1.322 31.071 29.762 -0.021 0.000 1.472 120 H HN 0.388 nan 8.280 nan 0.000 0.571 121 P HA -0.223 nan 4.420 nan 0.000 0.217 121 P C 1.466 178.829 177.300 0.104 0.000 1.148 121 P CA 1.926 65.018 63.100 -0.014 0.000 0.834 121 P CB 0.127 31.771 31.700 -0.094 0.000 0.783 122 S N -0.883 115.020 115.700 0.338 0.000 2.423 122 S HA -0.097 4.373 4.470 0.001 0.000 0.231 122 S C 2.082 176.719 174.600 0.062 0.000 1.014 122 S CA 0.744 59.038 58.200 0.155 0.000 0.965 122 S CB -1.395 61.851 63.200 0.076 0.000 0.785 122 S HN 0.094 nan 8.310 nan 0.000 0.495 123 I N 0.957 121.569 120.570 0.070 0.000 2.333 123 I HA -0.028 4.142 4.170 0.001 0.000 0.246 123 I C 2.325 178.434 176.117 -0.014 0.000 1.106 123 I CA 0.962 62.272 61.300 0.016 0.000 1.411 123 I CB -0.296 37.716 38.000 0.020 0.000 1.082 123 I HN 0.276 nan 8.210 nan 0.000 0.420 124 I N 0.267 120.805 120.570 -0.052 0.000 2.179 124 I HA -0.285 3.885 4.170 0.001 0.000 0.242 124 I C 2.563 178.549 176.117 -0.219 0.000 1.088 124 I CA 1.517 62.706 61.300 -0.186 0.000 1.357 124 I CB -0.568 37.271 38.000 -0.268 0.000 1.051 124 I HN 0.173 nan 8.210 nan 0.000 0.409 125 T N 0.315 114.802 114.554 -0.112 0.000 2.788 125 T HA -0.216 4.134 4.350 0.001 0.000 0.268 125 T C 1.887 176.623 174.700 0.059 0.000 1.044 125 T CA 1.637 63.728 62.100 -0.015 0.000 1.139 125 T CB -0.098 68.780 68.868 0.016 0.000 0.867 125 T HN 0.149 nan 8.240 nan 0.000 0.454 126 K N 1.010 121.431 120.400 0.035 0.000 2.025 126 K HA 0.042 4.362 4.320 0.001 0.000 0.207 126 K C 2.329 178.967 176.600 0.064 0.000 1.049 126 K CA 1.826 58.138 56.287 0.042 0.000 0.933 126 K CB -1.063 31.446 32.500 0.016 0.000 0.714 126 K HN 0.262 nan 8.250 nan 0.000 0.438 127 G N -0.540 108.300 108.800 0.067 0.000 2.418 127 G HA2 -0.244 3.716 3.960 0.001 0.000 0.217 127 G HA3 -0.244 3.716 3.960 0.001 0.000 0.217 127 G C 1.536 176.562 174.900 0.211 0.000 1.158 127 G CA 0.999 46.162 45.100 0.105 0.000 0.771 127 G HN 0.432 nan 8.290 nan 0.000 0.545 128 Y N 0.935 121.268 120.300 0.055 0.000 2.181 128 Y HA -0.126 4.424 4.550 0.001 0.000 0.288 128 Y C 3.275 179.147 175.900 -0.046 0.000 1.146 128 Y CA 0.431 58.593 58.100 0.105 0.000 1.164 128 Y CB 0.029 38.638 38.460 0.248 0.000 0.982 128 Y HN 0.312 nan 8.280 nan 0.000 0.515 129 A N 0.117 123.034 122.820 0.162 0.000 1.933 129 A HA -0.166 4.154 4.320 0.001 0.000 0.218 129 A C 2.166 179.743 177.584 -0.011 0.000 1.175 129 A CA 1.270 53.346 52.037 0.066 0.000 0.628 129 A CB -0.961 18.083 19.000 0.073 0.000 0.814 129 A HN 0.464 nan 8.150 nan 0.000 0.444 130 L N -0.839 120.392 121.223 0.012 0.000 2.017 130 L HA -0.200 4.141 4.340 0.001 0.000 0.208 130 L C 3.135 180.002 176.870 -0.004 0.000 1.073 130 L CA 1.119 55.989 54.840 0.051 0.000 0.745 130 L CB -0.529 41.596 42.059 0.110 0.000 0.894 130 L HN 0.444 nan 8.230 nan 0.000 0.432 131 A N -0.130 122.589 122.820 -0.169 0.000 1.902 131 A HA -0.194 4.126 4.320 0.001 0.000 0.217 131 A C 2.472 179.649 177.584 -0.679 0.000 1.181 131 A CA 1.817 53.577 52.037 -0.462 0.000 0.623 131 A CB -0.696 17.739 19.000 -0.942 0.000 0.818 131 A HN 0.430 nan 8.150 nan 0.000 0.443 132 A N -0.421 121.991 122.820 -0.679 0.000 1.930 132 A HA -0.112 4.208 4.320 0.001 0.000 0.217 132 A C 1.913 179.407 177.584 -0.150 0.000 1.175 132 A CA 1.507 53.345 52.037 -0.331 0.000 0.627 132 A CB -0.414 18.541 19.000 -0.076 0.000 0.815 132 A HN 0.636 nan 8.150 nan 0.000 0.443 133 E N -0.637 119.485 120.200 -0.131 0.000 2.107 133 E HA -0.168 4.182 4.350 0.001 0.000 0.191 133 E C 2.016 178.535 176.600 -0.135 0.000 0.982 133 E CA 1.169 57.515 56.400 -0.090 0.000 0.809 133 E CB -0.048 29.618 29.700 -0.055 0.000 0.756 133 E HN 0.431 nan 8.360 nan 0.000 0.459 134 K N 1.444 121.718 120.400 -0.210 0.000 2.057 134 K HA -0.070 4.251 4.320 0.001 0.000 0.206 134 K C 1.864 178.338 176.600 -0.210 0.000 1.050 134 K CA 1.372 57.468 56.287 -0.320 0.000 0.935 134 K CB -0.465 31.682 32.500 -0.589 0.000 0.715 134 K HN 0.080 nan 8.250 nan 0.000 0.439 135 A N 0.777 123.499 122.820 -0.163 0.000 1.917 135 A HA -0.224 4.097 4.320 0.001 0.000 0.219 135 A C 2.051 179.605 177.584 -0.050 0.000 1.182 135 A CA 1.748 53.740 52.037 -0.074 0.000 0.633 135 A CB -0.609 18.385 19.000 -0.010 0.000 0.819 135 A HN 0.405 nan 8.150 nan 0.000 0.448 136 Q N -0.217 119.552 119.800 -0.052 0.000 2.124 136 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 136 Q C 1.860 177.834 176.000 -0.043 0.000 0.977 136 Q CA 1.728 57.511 55.803 -0.033 0.000 0.850 136 Q CB -0.429 28.293 28.738 -0.027 0.000 0.901 136 Q HN 0.831 nan 8.270 nan 0.000 0.429 137 E N 0.161 120.318 120.200 -0.071 0.000 2.106 137 E HA -0.093 4.257 4.350 0.001 0.000 0.192 137 E C 2.115 178.678 176.600 -0.061 0.000 0.984 137 E CA 0.588 56.945 56.400 -0.071 0.000 0.806 137 E CB -0.056 29.582 29.700 -0.104 0.000 0.750 137 E HN 0.337 nan 8.360 nan 0.000 0.458 138 I N 0.991 121.520 120.570 -0.068 0.000 2.202 138 I HA -0.258 3.912 4.170 0.001 0.000 0.242 138 I C 2.375 178.480 176.117 -0.020 0.000 1.091 138 I CA 0.914 62.186 61.300 -0.045 0.000 1.368 138 I CB -0.201 37.772 38.000 -0.046 0.000 1.058 138 I HN 0.098 nan 8.210 nan 0.000 0.410 139 L N 0.369 121.583 121.223 -0.015 0.000 2.046 139 L HA -0.244 4.096 4.340 0.001 0.000 0.208 139 L C 2.146 179.014 176.870 -0.002 0.000 1.077 139 L CA 1.280 56.119 54.840 -0.002 0.000 0.747 139 L CB -0.677 41.384 42.059 0.002 0.000 0.896 139 L HN 0.274 nan 8.230 nan 0.000 0.432 140 D N -0.396 119.998 120.400 -0.009 0.000 2.144 140 D HA -0.216 4.424 4.640 0.001 0.000 0.199 140 D C 2.037 178.333 176.300 -0.006 0.000 0.984 140 D CA 1.117 55.113 54.000 -0.007 0.000 0.834 140 D CB 0.071 40.863 40.800 -0.012 0.000 0.955 140 D HN 0.411 nan 8.370 nan 0.000 0.465 141 E N 0.442 120.636 120.200 -0.010 0.000 2.051 141 E HA -0.093 4.257 4.350 0.001 0.000 0.189 141 E C 2.281 178.881 176.600 0.000 0.000 0.979 141 E CA 0.492 56.888 56.400 -0.008 0.000 0.803 141 E CB 0.036 29.728 29.700 -0.014 0.000 0.761 141 E HN 0.392 nan 8.360 nan 0.000 0.451 142 I N -1.186 119.387 120.570 0.005 0.000 3.251 142 I HA 0.218 4.389 4.170 0.001 0.000 0.277 142 I C 0.985 177.111 176.117 0.014 0.000 1.268 142 I CA -0.068 61.240 61.300 0.013 0.000 1.449 142 I CB -0.280 37.735 38.000 0.025 0.000 1.083 142 I HN -0.103 nan 8.210 nan 0.000 0.464 143 A N 2.386 125.212 122.820 0.011 0.000 2.565 143 A HA 0.289 4.610 4.320 0.001 0.000 0.237 143 A C 0.115 177.706 177.584 0.012 0.000 1.053 143 A CA 0.187 52.232 52.037 0.013 0.000 0.755 143 A CB -0.319 18.687 19.000 0.010 0.000 0.980 143 A HN 0.465 nan 8.150 nan 0.000 0.506 144 I N 3.912 124.491 120.570 0.014 0.000 2.291 144 I HA 0.174 4.345 4.170 0.001 0.000 0.290 144 I C 0.256 176.381 176.117 0.014 0.000 1.050 144 I CA -0.535 60.773 61.300 0.013 0.000 1.245 144 I CB 0.535 38.543 38.000 0.014 0.000 1.405 144 I HN 0.535 nan 8.210 nan 0.000 0.478 145 R N 5.349 125.857 120.500 0.013 0.000 2.370 145 R HA 0.362 4.703 4.340 0.001 0.000 0.309 145 R C -0.352 175.958 176.300 0.017 0.000 1.059 145 R CA -0.190 55.920 56.100 0.016 0.000 0.981 145 R CB 1.122 31.430 30.300 0.013 0.000 0.972 145 R HN 0.422 nan 8.270 nan 0.000 0.437 146 V N 1.466 121.393 119.914 0.022 0.000 3.126 146 V HA 0.230 4.350 4.120 0.001 0.000 0.314 146 V C -0.725 175.388 176.094 0.031 0.000 1.138 146 V CA -0.989 61.325 62.300 0.023 0.000 1.034 146 V CB 2.764 34.599 31.823 0.020 0.000 1.075 146 V HN 0.726 nan 8.190 nan 0.000 0.442 147 D N 3.415 123.835 120.400 0.033 0.000 2.339 147 D HA 0.332 4.973 4.640 0.001 0.000 0.256 147 D C -1.684 174.651 176.300 0.059 0.000 1.214 147 D CA -1.050 52.978 54.000 0.047 0.000 0.877 147 D CB 1.773 42.598 40.800 0.042 0.000 1.111 147 D HN 0.330 nan 8.370 nan 0.000 0.478 148 P HA -0.208 nan 4.420 nan 0.000 0.220 148 P C 0.199 177.524 177.300 0.041 0.000 1.155 148 P CA 1.277 64.449 63.100 0.120 0.000 0.880 148 P CB 0.109 31.973 31.700 0.273 0.000 0.790 149 D N -2.860 117.576 120.400 0.060 0.000 2.501 149 D HA 0.042 4.683 4.640 0.001 0.000 0.226 149 D C -0.241 176.054 176.300 -0.009 0.000 1.198 149 D CA -0.309 53.668 54.000 -0.038 0.000 0.830 149 D CB -1.017 39.767 40.800 -0.027 0.000 1.014 149 D HN 0.050 nan 8.370 nan 0.000 0.496 150 D N 1.747 122.153 120.400 0.010 0.000 2.356 150 D HA -0.073 4.568 4.640 0.001 0.000 0.272 150 D C 1.276 177.574 176.300 -0.003 0.000 1.337 150 D CA 0.148 54.154 54.000 0.010 0.000 0.970 150 D CB 0.636 41.445 40.800 0.015 0.000 1.092 150 D HN 0.192 nan 8.370 nan 0.000 0.516 151 E N 2.837 123.034 120.200 -0.005 0.000 2.147 151 E HA -0.290 4.060 4.350 0.001 0.000 0.199 151 E C 1.233 177.832 176.600 -0.002 0.000 1.005 151 E CA 0.979 57.374 56.400 -0.009 0.000 0.810 151 E CB 0.262 29.959 29.700 -0.005 0.000 0.736 151 E HN 0.549 nan 8.360 nan 0.000 0.460 152 E N -0.273 119.929 120.200 0.003 0.000 2.023 152 E HA -0.180 4.171 4.350 0.001 0.000 0.196 152 E C 2.295 178.899 176.600 0.006 0.000 1.003 152 E CA 2.060 58.463 56.400 0.006 0.000 0.809 152 E CB -0.327 29.378 29.700 0.007 0.000 0.755 152 E HN 0.500 nan 8.360 nan 0.000 0.449 153 T N -0.502 114.056 114.554 0.006 0.000 2.777 153 T HA -0.130 4.221 4.350 0.001 0.000 0.266 153 T C 2.076 176.779 174.700 0.005 0.000 1.040 153 T CA 0.787 62.891 62.100 0.008 0.000 1.141 153 T CB -0.355 68.519 68.868 0.010 0.000 0.868 153 T HN -0.028 nan 8.240 nan 0.000 0.444 154 L N 0.430 121.652 121.223 -0.002 0.000 2.042 154 L HA 0.057 4.397 4.340 0.001 0.000 0.210 154 L C 2.502 179.372 176.870 0.001 0.000 1.076 154 L CA 1.185 56.021 54.840 -0.007 0.000 0.749 154 L CB -1.359 40.686 42.059 -0.023 0.000 0.893 154 L HN 0.258 nan 8.230 nan 0.000 0.432 155 L N -0.791 120.434 121.223 0.003 0.000 2.083 155 L HA -0.191 4.149 4.340 0.001 0.000 0.209 155 L C 2.411 179.289 176.870 0.013 0.000 1.083 155 L CA 1.614 56.459 54.840 0.009 0.000 0.752 155 L CB -0.814 41.250 42.059 0.008 0.000 0.899 155 L HN 0.264 nan 8.230 nan 0.000 0.433 156 K N -1.069 119.338 120.400 0.013 0.000 2.097 156 K HA -0.086 4.235 4.320 0.001 0.000 0.205 156 K C 1.989 178.600 176.600 0.019 0.000 1.050 156 K CA 0.775 57.072 56.287 0.017 0.000 0.938 156 K CB -0.017 32.492 32.500 0.016 0.000 0.718 156 K HN 0.156 nan 8.250 nan 0.000 0.442 157 I N 1.213 121.792 120.570 0.015 0.000 2.202 157 I HA -0.218 3.952 4.170 0.001 0.000 0.242 157 I C 2.479 178.607 176.117 0.018 0.000 1.091 157 I CA 1.274 62.583 61.300 0.015 0.000 1.368 157 I CB -1.213 36.793 38.000 0.011 0.000 1.058 157 I HN 0.105 nan 8.210 nan 0.000 0.410 158 A N 0.967 123.797 122.820 0.018 0.000 1.858 158 A HA -0.151 4.170 4.320 0.001 0.000 0.216 158 A C 2.587 180.186 177.584 0.026 0.000 1.190 158 A CA 2.189 54.240 52.037 0.022 0.000 0.617 158 A CB -0.927 18.087 19.000 0.024 0.000 0.827 158 A HN 0.416 nan 8.150 nan 0.000 0.443 159 A N -1.080 121.756 122.820 0.026 0.000 1.908 159 A HA -0.126 4.195 4.320 0.001 0.000 0.218 159 A C 2.299 179.904 177.584 0.035 0.000 1.181 159 A CA 2.418 54.473 52.037 0.030 0.000 0.627 159 A CB -1.405 17.611 19.000 0.026 0.000 0.818 159 A HN 0.443 nan 8.150 nan 0.000 0.445 160 T N -0.527 114.047 114.554 0.033 0.000 2.788 160 T HA -0.139 4.211 4.350 0.001 0.000 0.268 160 T C 2.257 176.976 174.700 0.031 0.000 1.044 160 T CA 1.746 63.869 62.100 0.037 0.000 1.139 160 T CB -0.291 68.595 68.868 0.031 0.000 0.867 160 T HN 0.594 nan 8.240 nan 0.000 0.454 161 S N 0.615 116.330 115.700 0.025 0.000 2.371 161 S HA 0.016 4.487 4.470 0.001 0.000 0.224 161 S C 2.019 176.631 174.600 0.020 0.000 1.029 161 S CA 0.664 58.876 58.200 0.019 0.000 0.978 161 S CB -0.416 62.794 63.200 0.017 0.000 0.833 161 S HN 0.502 nan 8.310 nan 0.000 0.466 162 I N 1.366 121.951 120.570 0.025 0.000 2.493 162 I HA -0.047 4.124 4.170 0.001 0.000 0.254 162 I C 1.584 177.721 176.117 0.034 0.000 1.160 162 I CA 0.754 62.069 61.300 0.026 0.000 1.445 162 I CB -0.624 37.394 38.000 0.031 0.000 1.086 162 I HN 0.349 nan 8.210 nan 0.000 0.433 163 T N -0.000 114.581 114.554 0.046 0.000 2.900 163 T HA 0.301 4.651 4.350 0.001 0.000 0.307 163 T C 1.059 175.792 174.700 0.056 0.000 1.065 163 T CA 0.581 62.722 62.100 0.068 0.000 1.105 163 T CB 1.038 69.972 68.868 0.111 0.000 0.979 163 T HN 0.654 nan 8.240 nan 0.000 0.544 164 G N 2.600 111.440 108.800 0.067 0.000 2.141 164 G HA2 -0.162 3.799 3.960 0.001 0.000 0.231 164 G HA3 -0.162 3.799 3.960 0.001 0.000 0.231 164 G C -0.173 174.742 174.900 0.025 0.000 0.984 164 G CA 0.338 45.461 45.100 0.038 0.000 0.660 164 G HN 0.914 nan 8.290 nan 0.000 0.525 165 K N 0.656 121.073 120.400 0.029 0.000 2.426 165 K HA 0.458 4.779 4.320 0.001 0.000 0.251 165 K C 0.179 176.795 176.600 0.026 0.000 0.941 165 K CA -0.894 55.405 56.287 0.021 0.000 0.808 165 K CB 1.492 34.000 32.500 0.014 0.000 1.265 165 K HN 0.243 nan 8.250 nan 0.000 0.432 166 N N 0.997 119.711 118.700 0.024 0.000 2.273 166 N HA -0.037 4.703 4.740 0.001 0.000 0.227 166 N C 0.326 175.862 175.510 0.044 0.000 1.292 166 N CA 0.742 53.810 53.050 0.031 0.000 0.875 166 N CB 0.374 38.879 38.487 0.030 0.000 1.105 166 N HN 0.804 nan 8.380 nan 0.000 0.434 167 A N -0.959 121.901 122.820 0.065 0.000 2.945 167 A HA -0.237 4.084 4.320 0.001 0.000 0.251 167 A C 1.062 178.693 177.584 0.078 0.000 1.355 167 A CA 1.223 53.332 52.037 0.120 0.000 0.905 167 A CB -2.595 16.465 19.000 0.100 0.000 1.104 167 A HN 0.908 nan 8.150 nan 0.000 0.733 168 E N -0.476 119.740 120.200 0.027 0.000 2.447 168 E HA 0.094 4.444 4.350 0.001 0.000 0.195 168 E C 1.539 178.111 176.600 -0.047 0.000 1.028 168 E CA 0.731 57.139 56.400 0.013 0.000 0.876 168 E CB -0.284 29.433 29.700 0.028 0.000 0.885 168 E HN 0.634 nan 8.360 nan 0.000 0.500 169 S N 1.197 116.822 115.700 -0.126 0.000 2.400 169 S HA -0.163 4.308 4.470 0.001 0.000 0.232 169 S C 0.819 175.172 174.600 -0.413 0.000 1.025 169 S CA 1.458 59.472 58.200 -0.310 0.000 0.993 169 S CB -0.403 62.521 63.200 -0.460 0.000 0.808 169 S HN 0.520 nan 8.310 nan 0.000 0.478 170 H N 1.001 120.073 119.070 0.004 0.000 2.488 170 H HA 0.271 4.828 4.556 0.001 0.000 0.294 170 H C 1.524 176.856 175.328 0.008 0.000 1.088 170 H CA -0.195 55.856 56.048 0.005 0.000 1.086 170 H CB 0.059 29.826 29.762 0.008 0.000 1.569 170 H HN 0.482 nan 8.280 nan 0.000 0.548 171 K N 0.891 121.326 120.400 0.058 0.000 2.103 171 K HA -0.231 4.090 4.320 0.001 0.000 0.207 171 K C 1.756 178.385 176.600 0.048 0.000 1.048 171 K CA 1.833 58.150 56.287 0.050 0.000 0.930 171 K CB 0.172 32.688 32.500 0.027 0.000 0.716 171 K HN 0.399 nan 8.250 nan 0.000 0.444 172 E N 0.793 121.017 120.200 0.040 0.000 2.051 172 E HA -0.217 4.133 4.350 0.001 0.000 0.192 172 E C 2.050 178.677 176.600 0.046 0.000 0.991 172 E CA 1.218 57.639 56.400 0.035 0.000 0.799 172 E CB -0.061 29.654 29.700 0.025 0.000 0.748 172 E HN 0.366 nan 8.360 nan 0.000 0.449 173 L N 1.024 122.287 121.223 0.067 0.000 1.988 173 L HA -0.143 4.198 4.340 0.001 0.000 0.207 173 L C 2.290 179.194 176.870 0.057 0.000 1.071 173 L CA 1.594 56.471 54.840 0.062 0.000 0.744 173 L CB -0.682 41.422 42.059 0.074 0.000 0.893 173 L HN 0.208 nan 8.230 nan 0.000 0.433 174 L N -0.189 121.076 121.223 0.069 0.000 2.043 174 L HA -0.234 4.107 4.340 0.001 0.000 0.212 174 L C 2.705 179.608 176.870 0.055 0.000 1.075 174 L CA 1.333 56.210 54.840 0.062 0.000 0.752 174 L CB -1.158 40.939 42.059 0.063 0.000 0.891 174 L HN 0.449 nan 8.230 nan 0.000 0.432 175 A N 0.107 122.956 122.820 0.048 0.000 1.902 175 A HA -0.248 4.073 4.320 0.001 0.000 0.217 175 A C 2.433 180.037 177.584 0.034 0.000 1.181 175 A CA 1.931 53.991 52.037 0.039 0.000 0.623 175 A CB -0.461 18.558 19.000 0.032 0.000 0.818 175 A HN 0.347 nan 8.150 nan 0.000 0.443 176 K N -0.201 120.219 120.400 0.033 0.000 2.063 176 K HA -0.113 4.208 4.320 0.001 0.000 0.208 176 K C 1.872 178.488 176.600 0.028 0.000 1.048 176 K CA 1.543 57.846 56.287 0.026 0.000 0.928 176 K CB -0.327 32.189 32.500 0.026 0.000 0.713 176 K HN 0.503 nan 8.250 nan 0.000 0.442 177 L N 0.259 121.505 121.223 0.039 0.000 2.056 177 L HA -0.125 4.215 4.340 0.001 0.000 0.207 177 L C 2.688 179.587 176.870 0.049 0.000 1.078 177 L CA 1.151 56.018 54.840 0.045 0.000 0.749 177 L CB -0.630 41.466 42.059 0.063 0.000 0.901 177 L HN 0.267 nan 8.230 nan 0.000 0.433 178 A N -0.087 122.771 122.820 0.064 0.000 1.902 178 A HA -0.147 4.174 4.320 0.001 0.000 0.217 178 A C 2.347 179.948 177.584 0.029 0.000 1.181 178 A CA 1.864 53.943 52.037 0.070 0.000 0.623 178 A CB -0.825 18.221 19.000 0.077 0.000 0.818 178 A HN 0.191 nan 8.150 nan 0.000 0.443 179 V N -0.160 119.764 119.914 0.016 0.000 2.307 179 V HA -0.245 3.875 4.120 0.001 0.000 0.245 179 V C 2.507 178.590 176.094 -0.019 0.000 1.045 179 V CA 2.226 64.522 62.300 -0.007 0.000 1.024 179 V CB -0.707 31.113 31.823 -0.005 0.000 0.651 179 V HN 0.738 nan 8.190 nan 0.000 0.449 180 E N 0.099 120.294 120.200 -0.008 0.000 2.077 180 E HA -0.225 4.126 4.350 0.001 0.000 0.193 180 E C 2.255 178.840 176.600 -0.024 0.000 0.989 180 E CA 1.329 57.721 56.400 -0.013 0.000 0.800 180 E CB -0.181 29.518 29.700 -0.002 0.000 0.746 180 E HN 0.571 nan 8.360 nan 0.000 0.452 181 A N 0.354 123.160 122.820 -0.023 0.000 1.877 181 A HA -0.138 4.183 4.320 0.001 0.000 0.216 181 A C 2.379 179.930 177.584 -0.055 0.000 1.186 181 A CA 1.455 53.465 52.037 -0.045 0.000 0.620 181 A CB -0.605 18.360 19.000 -0.058 0.000 0.822 181 A HN 0.213 nan 8.150 nan 0.000 0.443 182 V N 0.005 119.890 119.914 -0.049 0.000 2.358 182 V HA -0.233 3.887 4.120 0.001 0.000 0.246 182 V C 2.432 178.471 176.094 -0.092 0.000 1.047 182 V CA 2.212 64.475 62.300 -0.063 0.000 1.035 182 V CB -0.673 31.118 31.823 -0.053 0.000 0.658 182 V HN 0.514 nan 8.190 nan 0.000 0.452 183 K N -0.263 120.079 120.400 -0.097 0.000 2.063 183 K HA -0.288 4.032 4.320 0.001 0.000 0.208 183 K C 2.313 178.865 176.600 -0.079 0.000 1.048 183 K CA 1.924 58.136 56.287 -0.125 0.000 0.928 183 K CB -0.161 32.285 32.500 -0.090 0.000 0.713 183 K HN 0.350 nan 8.250 nan 0.000 0.442 184 Q N 0.665 120.437 119.800 -0.048 0.000 2.079 184 Q HA -0.115 4.226 4.340 0.001 0.000 0.200 184 Q C 1.753 177.742 176.000 -0.018 0.000 0.974 184 Q CA 1.606 57.394 55.803 -0.025 0.000 0.840 184 Q CB 0.101 28.825 28.738 -0.024 0.000 0.898 184 Q HN 0.274 nan 8.270 nan 0.000 0.430 185 V N -2.179 117.716 119.914 -0.032 0.000 3.608 185 V HA 0.489 4.609 4.120 0.001 0.000 0.269 185 V C 0.818 176.912 176.094 -0.000 0.000 1.245 185 V CA 0.188 62.475 62.300 -0.021 0.000 1.138 185 V CB -1.045 30.753 31.823 -0.041 0.000 0.841 185 V HN 0.287 nan 8.190 nan 0.000 0.451 186 A N 0.952 123.768 122.820 -0.006 0.000 2.498 186 A HA 0.383 4.703 4.320 0.001 0.000 0.239 186 A C 0.212 177.885 177.584 0.147 0.000 1.068 186 A CA 0.037 52.098 52.037 0.040 0.000 0.766 186 A CB -0.161 18.780 19.000 -0.098 0.000 1.003 186 A HN 0.702 nan 8.150 nan 0.000 0.497 187 E N 1.059 121.367 120.200 0.180 0.000 2.145 187 E HA 0.279 4.630 4.350 0.001 0.000 0.270 187 E C -0.700 175.992 176.600 0.153 0.000 0.906 187 E CA -0.513 55.972 56.400 0.141 0.000 0.761 187 E CB 1.623 31.363 29.700 0.068 0.000 1.116 187 E HN 0.575 nan 8.360 nan 0.000 0.408 188 K N 3.956 124.385 120.400 0.048 0.000 2.264 188 K HA 0.106 4.426 4.320 0.001 0.000 0.277 188 K C 0.939 177.454 176.600 -0.141 0.000 1.067 188 K CA -0.211 55.935 56.287 -0.235 0.000 0.900 188 K CB 0.524 32.735 32.500 -0.481 0.000 1.124 188 K HN 0.447 nan 8.250 nan 0.000 0.469 189 K N 2.133 122.461 120.400 -0.120 0.000 2.076 189 K HA -0.049 4.272 4.320 0.001 0.000 0.204 189 K C -0.583 175.961 176.600 -0.093 0.000 1.051 189 K CA 0.916 57.157 56.287 -0.076 0.000 0.949 189 K CB 0.073 32.545 32.500 -0.046 0.000 0.726 189 K HN 0.571 nan 8.250 nan 0.000 0.443 190 D N -1.548 118.775 120.400 -0.128 0.000 2.484 190 D HA 0.159 4.799 4.640 0.001 0.000 0.223 190 D C 0.454 176.673 176.300 -0.135 0.000 1.350 190 D CA -0.044 53.889 54.000 -0.112 0.000 0.940 190 D CB 0.134 40.894 40.800 -0.068 0.000 1.525 190 D HN 0.262 nan 8.370 nan 0.000 0.504 191 G N 1.334 110.018 108.800 -0.193 0.000 2.382 191 G HA2 -0.354 3.607 3.960 0.001 0.000 0.259 191 G HA3 -0.354 3.607 3.960 0.001 0.000 0.259 191 G C 0.164 174.934 174.900 -0.217 0.000 1.009 191 G CA 0.638 45.625 45.100 -0.188 0.000 0.625 191 G HN 0.574 nan 8.290 nan 0.000 0.541 192 K N 0.632 120.920 120.400 -0.186 0.000 2.234 192 K HA 0.533 4.854 4.320 0.001 0.000 0.277 192 K C -0.515 175.999 176.600 -0.144 0.000 1.038 192 K CA -0.573 55.649 56.287 -0.107 0.000 0.888 192 K CB 0.963 33.437 32.500 -0.044 0.000 1.091 192 K HN 0.350 nan 8.250 nan 0.000 0.467 193 Y N 0.429 120.730 120.300 0.002 0.000 2.307 193 Y HA 0.354 4.905 4.550 0.001 0.000 0.324 193 Y C 0.443 176.344 175.900 0.002 0.000 1.238 193 Y CA -0.562 57.539 58.100 0.002 0.000 1.280 193 Y CB 1.715 40.176 38.460 0.003 0.000 1.248 193 Y HN 0.212 nan 8.280 nan 0.000 0.508 194 V N 3.720 123.752 119.914 0.198 0.000 2.686 194 V HA 0.632 4.753 4.120 0.001 0.000 0.306 194 V C -1.698 174.451 176.094 0.092 0.000 1.065 194 V CA -0.604 61.760 62.300 0.105 0.000 0.894 194 V CB 1.802 33.662 31.823 0.061 0.000 1.004 194 V HN 0.494 nan 8.190 nan 0.000 0.424 195 V N 5.461 125.409 119.914 0.056 0.000 2.487 195 V HA 0.512 4.632 4.120 0.001 0.000 0.298 195 V C -0.762 175.342 176.094 0.016 0.000 1.028 195 V CA -0.554 61.764 62.300 0.029 0.000 0.860 195 V CB 1.890 33.718 31.823 0.007 0.000 0.991 195 V HN 0.919 nan 8.190 nan 0.000 0.427 196 D N 4.070 124.475 120.400 0.007 0.000 2.443 196 D HA 0.328 4.968 4.640 0.001 0.000 0.221 196 D C 1.010 177.301 176.300 -0.014 0.000 1.097 196 D CA -0.261 53.739 54.000 -0.000 0.000 0.865 196 D CB 1.391 42.189 40.800 -0.003 0.000 1.034 196 D HN 0.447 nan 8.370 nan 0.000 0.511 197 L N 2.298 123.516 121.223 -0.008 0.000 2.349 197 L HA -0.121 4.220 4.340 0.001 0.000 0.220 197 L C 1.248 178.094 176.870 -0.040 0.000 1.130 197 L CA 0.696 55.525 54.840 -0.018 0.000 0.791 197 L CB -0.042 42.028 42.059 0.018 0.000 0.918 197 L HN 0.340 nan 8.230 nan 0.000 0.444 198 D N -0.025 120.356 120.400 -0.031 0.000 2.371 198 D HA -0.098 4.543 4.640 0.001 0.000 0.221 198 D C 1.426 177.685 176.300 -0.069 0.000 0.986 198 D CA 0.627 54.602 54.000 -0.041 0.000 0.899 198 D CB -0.054 40.730 40.800 -0.025 0.000 0.902 198 D HN 0.370 nan 8.370 nan 0.000 0.530 199 N N 0.182 118.838 118.700 -0.073 0.000 2.398 199 N HA 0.071 4.812 4.740 0.001 0.000 0.188 199 N C 0.305 175.736 175.510 -0.130 0.000 1.122 199 N CA 0.157 53.157 53.050 -0.085 0.000 0.866 199 N CB 1.128 39.579 38.487 -0.059 0.000 0.970 199 N HN 0.269 nan 8.380 nan 0.000 0.462 200 I N 1.100 121.561 120.570 -0.182 0.000 2.354 200 I HA 0.178 4.349 4.170 0.001 0.000 0.286 200 I C 0.195 176.046 176.117 -0.444 0.000 1.007 200 I CA -0.654 60.461 61.300 -0.308 0.000 1.167 200 I CB 1.529 39.316 38.000 -0.356 0.000 1.320 200 I HN -0.247 nan 8.210 nan 0.000 0.458 201 K N 6.510 126.675 120.400 -0.392 0.000 2.130 201 K HA 0.528 4.849 4.320 0.001 0.000 0.268 201 K C -1.432 174.901 176.600 -0.445 0.000 0.983 201 K CA -0.372 55.713 56.287 -0.336 0.000 0.893 201 K CB 1.052 33.440 32.500 -0.186 0.000 1.066 201 K HN 0.348 nan 8.250 nan 0.000 0.450 202 F N 2.539 122.466 119.950 -0.039 0.000 2.402 202 F HA 0.217 4.745 4.527 0.001 0.000 0.355 202 F C -0.047 175.727 175.800 -0.043 0.000 1.123 202 F CA -0.833 57.146 58.000 -0.035 0.000 1.021 202 F CB 1.751 40.736 39.000 -0.026 0.000 1.160 202 F HN 0.526 nan 8.300 nan 0.000 0.451 203 E N 4.191 124.464 120.200 0.121 0.000 2.158 203 E HA 0.414 4.765 4.350 0.001 0.000 0.271 203 E C -1.435 175.194 176.600 0.049 0.000 0.911 203 E CA -0.746 55.677 56.400 0.038 0.000 0.767 203 E CB 1.081 30.756 29.700 -0.041 0.000 1.120 203 E HN 0.439 nan 8.360 nan 0.000 0.405 204 K N 3.683 124.100 120.400 0.029 0.000 2.292 204 K HA 0.554 4.875 4.320 0.001 0.000 0.257 204 K C -0.802 175.803 176.600 0.009 0.000 0.940 204 K CA -1.113 55.185 56.287 0.018 0.000 0.811 204 K CB 1.559 34.061 32.500 0.003 0.000 1.120 204 K HN 0.144 nan 8.250 nan 0.000 0.428 205 K N 1.855 122.265 120.400 0.016 0.000 2.652 205 K HA 0.337 4.657 4.320 0.001 0.000 0.249 205 K C -0.934 175.676 176.600 0.016 0.000 0.986 205 K CA -0.525 55.773 56.287 0.019 0.000 0.867 205 K CB 2.010 34.532 32.500 0.037 0.000 1.201 205 K HN 0.849 nan 8.250 nan 0.000 0.450 206 A N 1.313 124.139 122.820 0.009 0.000 2.466 206 A HA 0.617 4.938 4.320 0.001 0.000 0.238 206 A C 0.587 178.179 177.584 0.014 0.000 1.074 206 A CA 1.140 53.182 52.037 0.009 0.000 0.774 206 A CB 0.007 19.011 19.000 0.007 0.000 1.015 206 A HN 0.879 nan 8.150 nan 0.000 0.498 207 G N 0.487 109.295 108.800 0.012 0.000 2.528 207 G HA2 0.446 4.407 3.960 0.001 0.000 0.681 207 G HA3 0.446 4.407 3.960 0.001 0.000 0.681 207 G C -0.464 174.441 174.900 0.008 0.000 1.340 207 G CA -0.067 45.040 45.100 0.013 0.000 0.855 207 G HN 1.573 nan 8.290 nan 0.000 0.649 208 E N -1.591 118.612 120.200 0.005 0.000 3.611 208 E HA -0.101 4.249 4.350 0.001 0.000 0.238 208 E C 0.757 177.352 176.600 -0.008 0.000 1.468 208 E CA 1.529 57.928 56.400 -0.002 0.000 2.235 208 E CB -1.339 28.358 29.700 -0.005 0.000 2.090 208 E HN 2.074 nan 8.360 nan 0.000 0.483 209 G N -1.396 107.388 108.800 -0.028 0.000 2.730 209 G HA2 0.489 4.450 3.960 0.001 0.000 0.289 209 G HA3 0.489 4.450 3.960 0.001 0.000 0.289 209 G C 0.732 175.563 174.900 -0.114 0.000 1.341 209 G CA -0.125 44.946 45.100 -0.048 0.000 0.932 209 G HN 0.274 nan 8.290 nan 0.000 0.481 210 V N 0.283 120.087 119.914 -0.183 0.000 2.453 210 V HA -0.145 3.976 4.120 0.001 0.000 0.252 210 V C 2.698 178.549 176.094 -0.405 0.000 1.068 210 V CA 2.060 64.196 62.300 -0.274 0.000 1.070 210 V CB -0.310 31.345 31.823 -0.279 0.000 0.664 210 V HN 0.702 nan 8.190 nan 0.000 0.461 211 E N 0.144 120.003 120.200 -0.569 0.000 2.209 211 E HA -0.231 4.120 4.350 0.001 0.000 0.196 211 E C 2.004 178.520 176.600 -0.139 0.000 0.993 211 E CA 1.125 57.309 56.400 -0.360 0.000 0.819 211 E CB -0.023 29.572 29.700 -0.176 0.000 0.745 211 E HN 0.656 nan 8.360 nan 0.000 0.477 212 E N -0.028 120.108 120.200 -0.106 0.000 2.489 212 E HA 0.058 4.408 4.350 0.001 0.000 0.193 212 E C 0.154 176.741 176.600 -0.022 0.000 1.057 212 E CA -0.084 56.290 56.400 -0.044 0.000 0.866 212 E CB 0.284 29.968 29.700 -0.027 0.000 0.916 212 E HN -0.060 nan 8.360 nan 0.000 0.500 213 S N 1.530 117.208 115.700 -0.038 0.000 2.568 213 S HA 0.136 4.607 4.470 0.001 0.000 0.282 213 S C 0.310 174.922 174.600 0.020 0.000 1.338 213 S CA -0.021 58.179 58.200 0.001 0.000 1.045 213 S CB 0.381 63.577 63.200 -0.007 0.000 0.873 213 S HN 0.297 nan 8.310 nan 0.000 0.516 214 E N 0.483 120.710 120.200 0.046 0.000 2.445 214 E HA 0.607 4.957 4.350 0.001 0.000 0.279 214 E C -1.670 174.963 176.600 0.056 0.000 1.018 214 E CA -1.062 55.367 56.400 0.048 0.000 0.816 214 E CB 0.835 30.566 29.700 0.051 0.000 1.356 214 E HN 0.328 nan 8.360 nan 0.000 0.462 215 L N 1.400 122.649 121.223 0.045 0.000 2.296 215 L HA 0.473 4.814 4.340 0.001 0.000 0.286 215 L C -1.448 175.444 176.870 0.037 0.000 1.023 215 L CA -0.635 54.225 54.840 0.032 0.000 0.812 215 L CB 1.668 43.739 42.059 0.021 0.000 1.223 215 L HN 0.498 nan 8.230 nan 0.000 0.421 216 V N 6.133 126.066 119.914 0.031 0.000 2.357 216 V HA 0.439 4.560 4.120 0.001 0.000 0.284 216 V C 0.459 176.559 176.094 0.010 0.000 1.018 216 V CA -0.616 61.711 62.300 0.045 0.000 0.841 216 V CB 1.194 33.061 31.823 0.073 0.000 0.991 216 V HN 0.642 nan 8.190 nan 0.000 0.437 217 R N 4.133 124.643 120.500 0.017 0.000 3.688 217 R HA 0.508 4.849 4.340 0.001 0.000 0.194 217 R C 0.734 177.034 176.300 0.000 0.000 1.677 217 R CA 0.297 56.400 56.100 0.004 0.000 1.351 217 R CB 0.092 30.402 30.300 0.016 0.000 1.338 217 R HN 0.965 nan 8.270 nan 0.000 0.731 218 G N -0.582 108.205 108.800 -0.021 0.000 2.452 218 G HA2 0.172 4.132 3.960 0.001 0.000 0.224 218 G HA3 0.172 4.132 3.960 0.001 0.000 0.224 218 G C -1.579 173.276 174.900 -0.075 0.000 1.208 218 G CA -0.623 44.454 45.100 -0.038 0.000 0.946 218 G HN 0.081 nan 8.290 nan 0.000 0.481 219 V N 0.111 119.964 119.914 -0.102 0.000 2.656 219 V HA 0.700 4.820 4.120 0.001 0.000 0.307 219 V C -0.302 175.674 176.094 -0.197 0.000 1.051 219 V CA -0.743 61.464 62.300 -0.156 0.000 0.893 219 V CB 1.610 33.311 31.823 -0.204 0.000 0.999 219 V HN 0.711 nan 8.190 nan 0.000 0.426 220 V N 5.513 125.277 119.914 -0.250 0.000 2.435 220 V HA 0.583 4.703 4.120 0.001 0.000 0.290 220 V C -0.333 175.588 176.094 -0.288 0.000 1.030 220 V CA -0.353 61.701 62.300 -0.410 0.000 0.881 220 V CB 1.671 33.185 31.823 -0.515 0.000 0.983 220 V HN 0.696 nan 8.190 nan 0.000 0.445 221 I N 2.935 123.349 120.570 -0.260 0.000 2.533 221 I HA 0.343 4.514 4.170 0.001 0.000 0.290 221 I C -0.520 175.538 176.117 -0.098 0.000 1.056 221 I CA -0.558 60.656 61.300 -0.143 0.000 1.057 221 I CB 2.239 40.185 38.000 -0.089 0.000 1.240 221 I HN 0.476 nan 8.210 nan 0.000 0.423 222 D N 7.367 127.727 120.400 -0.067 0.000 2.545 222 D HA 0.177 4.817 4.640 0.001 0.000 0.227 222 D C -0.517 175.783 176.300 -0.000 0.000 1.150 222 D CA 0.450 54.429 54.000 -0.033 0.000 1.046 222 D CB 0.190 40.974 40.800 -0.027 0.000 1.098 222 D HN 0.295 nan 8.370 nan 0.000 0.502 223 K N 1.371 121.783 120.400 0.019 0.000 2.548 223 K HA 0.394 4.715 4.320 0.001 0.000 0.282 223 K C -0.425 176.206 176.600 0.051 0.000 1.006 223 K CA -0.659 55.654 56.287 0.044 0.000 0.892 223 K CB 1.762 34.308 32.500 0.077 0.000 1.499 223 K HN 0.215 nan 8.250 nan 0.000 0.433 224 E N 0.363 120.591 120.200 0.046 0.000 2.320 224 E HA 0.381 4.732 4.350 0.001 0.000 0.264 224 E C -0.743 175.875 176.600 0.030 0.000 0.923 224 E CA -1.125 55.298 56.400 0.039 0.000 0.796 224 E CB 2.381 32.097 29.700 0.026 0.000 1.262 224 E HN 0.100 nan 8.360 nan 0.000 0.428 225 V N 2.474 122.401 119.914 0.022 0.000 2.479 225 V HA -0.071 4.050 4.120 0.001 0.000 0.281 225 V C 1.337 177.441 176.094 0.017 0.000 1.031 225 V CA 0.386 62.689 62.300 0.006 0.000 1.038 225 V CB 1.086 32.914 31.823 0.008 0.000 0.981 225 V HN 0.633 nan 8.190 nan 0.000 0.478 226 V N 4.602 124.529 119.914 0.022 0.000 2.392 226 V HA -0.171 3.950 4.120 0.001 0.000 0.249 226 V C 0.905 177.038 176.094 0.064 0.000 1.059 226 V CA 1.933 64.257 62.300 0.041 0.000 1.051 226 V CB -0.398 31.454 31.823 0.048 0.000 0.658 226 V HN 1.001 nan 8.190 nan 0.000 0.455 227 H N -0.962 118.099 119.070 -0.015 0.000 2.469 227 H HA 0.408 4.965 4.556 0.001 0.000 0.342 227 H C -1.797 173.518 175.328 -0.021 0.000 1.115 227 H CA -1.886 54.152 56.048 -0.017 0.000 1.204 227 H CB 2.155 31.903 29.762 -0.023 0.000 1.492 227 H HN -0.011 nan 8.280 nan 0.000 0.499 228 P HA -0.111 nan 4.420 nan 0.000 0.218 228 P C 1.371 178.684 177.300 0.022 0.000 1.149 228 P CA 0.918 63.954 63.100 -0.107 0.000 0.817 228 P CB 0.340 31.930 31.700 -0.184 0.000 0.785 229 R N -1.152 119.461 120.500 0.189 0.000 2.276 229 R HA 0.140 4.480 4.340 0.001 0.000 0.203 229 R C 1.014 177.376 176.300 0.102 0.000 1.017 229 R CA 0.319 56.518 56.100 0.165 0.000 1.010 229 R CB -0.485 29.928 30.300 0.189 0.000 0.900 229 R HN 0.329 nan 8.270 nan 0.000 0.469 230 M N 0.927 120.601 119.600 0.123 0.000 2.207 230 M HA 0.111 4.591 4.480 0.001 0.000 0.311 230 M C -1.988 174.327 176.300 0.025 0.000 1.127 230 M CA -1.353 53.975 55.300 0.046 0.000 1.181 230 M CB 0.066 32.691 32.600 0.042 0.000 1.409 230 M HN -0.220 nan 8.290 nan 0.000 0.461 231 P HA 0.100 nan 4.420 nan 0.000 0.271 231 P C -0.374 176.929 177.300 0.006 0.000 1.218 231 P CA -0.168 62.935 63.100 0.006 0.000 0.780 231 P CB 0.587 32.288 31.700 0.002 0.000 0.901 232 K N 1.033 121.438 120.400 0.008 0.000 2.353 232 K HA 0.149 4.470 4.320 0.001 0.000 0.195 232 K C 0.565 177.175 176.600 0.017 0.000 1.031 232 K CA 0.396 56.691 56.287 0.014 0.000 1.079 232 K CB 0.537 33.045 32.500 0.014 0.000 0.857 232 K HN 0.403 nan 8.250 nan 0.000 0.535 233 R N 0.271 120.777 120.500 0.010 0.000 2.548 233 R HA 0.365 4.706 4.340 0.001 0.000 0.280 233 R C -1.756 174.546 176.300 0.004 0.000 1.061 233 R CA -0.330 55.775 56.100 0.009 0.000 0.915 233 R CB 1.748 32.049 30.300 0.002 0.000 1.210 233 R HN -0.239 nan 8.270 nan 0.000 0.442 234 V N 4.642 124.558 119.914 0.003 0.000 2.525 234 V HA 0.211 4.331 4.120 0.001 0.000 0.299 234 V C 0.676 176.765 176.094 -0.008 0.000 1.034 234 V CA -0.755 61.544 62.300 -0.001 0.000 0.863 234 V CB 1.651 33.470 31.823 -0.006 0.000 0.999 234 V HN 0.840 nan 8.190 nan 0.000 0.423 235 E N 2.705 122.905 120.200 0.000 0.000 1.969 235 E HA -0.074 4.277 4.350 0.001 0.000 0.204 235 E C 0.329 176.924 176.600 -0.010 0.000 0.982 235 E CA 1.044 57.446 56.400 0.003 0.000 0.871 235 E CB -0.035 29.678 29.700 0.021 0.000 0.815 235 E HN 0.634 nan 8.360 nan 0.000 0.527 236 N N 1.608 120.329 118.700 0.035 0.000 3.034 236 N HA 0.265 5.006 4.740 0.001 0.000 0.265 236 N C -0.686 174.852 175.510 0.046 0.000 1.166 236 N CA 0.003 53.105 53.050 0.086 0.000 1.081 236 N CB 0.725 39.352 38.487 0.234 0.000 1.378 236 N HN 0.126 nan 8.380 nan 0.000 0.520 237 A N 1.915 124.681 122.820 -0.091 0.000 2.477 237 A HA 0.108 4.429 4.320 0.001 0.000 0.246 237 A C 0.415 178.006 177.584 0.012 0.000 1.078 237 A CA 0.091 52.100 52.037 -0.047 0.000 0.770 237 A CB 0.427 19.387 19.000 -0.068 0.000 1.011 237 A HN 0.385 nan 8.150 nan 0.000 0.494 238 K N 2.889 123.319 120.400 0.049 0.000 2.404 238 K HA 0.413 4.733 4.320 0.001 0.000 0.257 238 K C -1.140 175.493 176.600 0.055 0.000 1.026 238 K CA 0.106 56.440 56.287 0.077 0.000 0.951 238 K CB 1.084 33.622 32.500 0.064 0.000 1.203 238 K HN 0.643 nan 8.250 nan 0.000 0.446 239 I N 2.494 123.109 120.570 0.077 0.000 2.371 239 I HA 0.232 4.403 4.170 0.001 0.000 0.290 239 I C 0.231 176.410 176.117 0.104 0.000 1.028 239 I CA -0.455 60.908 61.300 0.106 0.000 1.345 239 I CB 1.384 39.479 38.000 0.159 0.000 1.407 239 I HN 0.526 nan 8.210 nan 0.000 0.501 240 A N 7.433 130.311 122.820 0.097 0.000 2.317 240 A HA 0.778 5.099 4.320 0.001 0.000 0.327 240 A C -0.950 176.713 177.584 0.132 0.000 1.178 240 A CA -0.461 51.627 52.037 0.084 0.000 0.817 240 A CB 0.884 19.910 19.000 0.044 0.000 1.189 240 A HN 0.523 nan 8.150 nan 0.000 0.489 241 L N 4.134 125.424 121.223 0.112 0.000 2.318 241 L HA 0.483 4.824 4.340 0.001 0.000 0.277 241 L C -0.800 176.118 176.870 0.080 0.000 1.008 241 L CA -0.174 54.738 54.840 0.120 0.000 0.846 241 L CB 1.175 43.284 42.059 0.085 0.000 1.220 241 L HN 0.501 nan 8.230 nan 0.000 0.423 242 I N 3.109 123.728 120.570 0.081 0.000 2.465 242 I HA 0.346 4.517 4.170 0.001 0.000 0.291 242 I C 0.652 176.800 176.117 0.051 0.000 1.014 242 I CA -0.507 60.826 61.300 0.054 0.000 1.093 242 I CB 1.776 39.803 38.000 0.045 0.000 1.267 242 I HN 0.561 nan 8.210 nan 0.000 0.431 243 N N 3.263 121.984 118.700 0.036 0.000 2.282 243 N HA -0.009 4.732 4.740 0.001 0.000 0.185 243 N C 0.383 175.908 175.510 0.025 0.000 1.099 243 N CA -0.072 52.997 53.050 0.031 0.000 0.878 243 N CB 0.303 38.803 38.487 0.022 0.000 0.993 243 N HN 0.675 nan 8.380 nan 0.000 0.481 244 E N 0.654 120.866 120.200 0.021 0.000 2.354 244 E HA 0.420 4.771 4.350 0.001 0.000 0.269 244 E C -0.532 176.080 176.600 0.020 0.000 1.036 244 E CA -0.732 55.678 56.400 0.015 0.000 0.876 244 E CB 0.850 30.555 29.700 0.007 0.000 1.009 244 E HN 0.321 nan 8.360 nan 0.000 0.416 245 A N 3.884 126.716 122.820 0.020 0.000 2.462 245 A HA 0.165 4.486 4.320 0.001 0.000 0.243 245 A C -0.354 177.245 177.584 0.025 0.000 1.076 245 A CA -0.387 51.665 52.037 0.024 0.000 0.773 245 A CB 0.278 19.292 19.000 0.023 0.000 1.010 245 A HN 0.540 nan 8.150 nan 0.000 0.493 246 L N 2.970 124.212 121.223 0.031 0.000 2.422 246 L HA 0.301 4.642 4.340 0.001 0.000 0.256 246 L C 0.263 177.157 176.870 0.041 0.000 1.202 246 L CA 0.880 55.741 54.840 0.035 0.000 1.119 246 L CB -1.193 40.892 42.059 0.043 0.000 1.383 246 L HN 0.822 nan 8.230 nan 0.000 0.411 247 E N -0.112 120.109 120.200 0.034 0.000 2.456 247 E HA 0.415 4.765 4.350 0.001 0.000 0.276 247 E C -1.022 175.597 176.600 0.032 0.000 0.981 247 E CA -1.212 55.210 56.400 0.036 0.000 0.814 247 E CB 1.830 31.549 29.700 0.031 0.000 1.382 247 E HN -0.179 nan 8.360 nan 0.000 0.459 248 V N 2.718 122.653 119.914 0.034 0.000 2.434 248 V HA -0.023 4.097 4.120 0.001 0.000 0.281 248 V C 0.286 176.395 176.094 0.025 0.000 1.005 248 V CA 0.378 62.697 62.300 0.032 0.000 1.089 248 V CB -0.604 31.241 31.823 0.037 0.000 0.978 248 V HN 0.423 nan 8.190 nan 0.000 0.474 249 K N 5.416 125.828 120.400 0.020 0.000 2.326 249 K HA 0.368 4.688 4.320 0.001 0.000 0.275 249 K C -0.285 176.324 176.600 0.016 0.000 1.018 249 K CA -0.261 56.035 56.287 0.015 0.000 0.962 249 K CB 0.985 33.490 32.500 0.009 0.000 0.953 249 K HN 0.565 nan 8.250 nan 0.000 0.475 250 K N 1.104 121.511 120.400 0.012 0.000 2.318 250 K HA 0.205 4.526 4.320 0.001 0.000 0.249 250 K C -0.177 176.427 176.600 0.007 0.000 0.942 250 K CA -0.693 55.600 56.287 0.010 0.000 0.808 250 K CB 1.808 34.312 32.500 0.007 0.000 1.189 250 K HN 0.653 nan 8.250 nan 0.000 0.428 251 T N -1.201 113.357 114.554 0.007 0.000 2.856 251 T HA 0.027 4.378 4.350 0.001 0.000 0.306 251 T C 1.091 175.793 174.700 0.003 0.000 1.062 251 T CA -0.364 61.739 62.100 0.005 0.000 1.083 251 T CB 0.992 69.863 68.868 0.006 0.000 0.984 251 T HN 0.617 nan 8.240 nan 0.000 0.542 252 E N 0.682 120.883 120.200 0.002 0.000 2.152 252 E HA 0.033 4.384 4.350 0.001 0.000 0.192 252 E C 0.566 177.166 176.600 0.000 0.000 0.983 252 E CA 0.684 57.085 56.400 0.001 0.000 0.818 252 E CB -0.332 29.368 29.700 0.001 0.000 0.758 252 E HN 0.794 nan 8.360 nan 0.000 0.467 253 T N 2.043 116.597 114.554 0.000 0.000 2.884 253 T HA 0.090 4.440 4.350 0.001 0.000 0.298 253 T C -0.430 174.269 174.700 -0.002 0.000 0.998 253 T CA -0.567 61.532 62.100 -0.001 0.000 1.124 253 T CB 0.675 69.544 68.868 0.000 0.000 0.931 253 T HN 0.001 nan 8.240 nan 0.000 0.531 254 D N 1.946 122.343 120.400 -0.004 0.000 2.506 254 D HA 0.399 5.039 4.640 0.001 0.000 0.234 254 D C -0.013 176.281 176.300 -0.009 0.000 1.143 254 D CA 0.561 54.557 54.000 -0.007 0.000 0.871 254 D CB 0.374 41.169 40.800 -0.008 0.000 1.190 254 D HN 0.749 nan 8.370 nan 0.000 0.459 255 A N 1.759 124.571 122.820 -0.014 0.000 2.594 255 A HA 0.664 4.985 4.320 0.001 0.000 0.295 255 A C -0.927 176.636 177.584 -0.035 0.000 1.071 255 A CA -0.798 51.227 52.037 -0.020 0.000 0.685 255 A CB 1.764 20.756 19.000 -0.013 0.000 1.285 255 A HN 0.414 nan 8.150 nan 0.000 0.405 256 K N 1.685 122.055 120.400 -0.049 0.000 2.550 256 K HA 0.582 4.903 4.320 0.001 0.000 0.252 256 K C -1.604 174.926 176.600 -0.117 0.000 0.943 256 K CA -0.562 55.679 56.287 -0.076 0.000 0.806 256 K CB 1.376 33.840 32.500 -0.060 0.000 1.289 256 K HN 0.675 nan 8.250 nan 0.000 0.435 257 I N 3.494 123.946 120.570 -0.196 0.000 2.471 257 I HA 0.093 4.263 4.170 0.001 0.000 0.286 257 I C -0.086 175.886 176.117 -0.241 0.000 1.079 257 I CA -0.368 60.730 61.300 -0.336 0.000 1.398 257 I CB 0.658 38.256 38.000 -0.670 0.000 1.403 257 I HN 0.406 nan 8.210 nan 0.000 0.530 258 N N 8.181 126.776 118.700 -0.176 0.000 2.546 258 N HA 0.399 5.140 4.740 0.001 0.000 0.238 258 N C -0.506 174.961 175.510 -0.071 0.000 0.984 258 N CA -0.311 52.682 53.050 -0.095 0.000 0.935 258 N CB 1.461 39.922 38.487 -0.044 0.000 1.122 258 N HN 0.450 nan 8.380 nan 0.000 0.510 259 I N 1.498 122.025 120.570 -0.073 0.000 2.416 259 I HA 0.066 4.237 4.170 0.001 0.000 0.288 259 I C 1.392 177.520 176.117 0.019 0.000 1.051 259 I CA 0.095 61.389 61.300 -0.008 0.000 1.375 259 I CB 0.854 38.844 38.000 -0.017 0.000 1.407 259 I HN 0.458 nan 8.210 nan 0.000 0.516 260 T N -0.229 114.354 114.554 0.049 0.000 3.043 260 T HA 0.196 4.547 4.350 0.001 0.000 0.272 260 T C 0.263 174.987 174.700 0.039 0.000 0.990 260 T CA -0.248 61.873 62.100 0.036 0.000 0.897 260 T CB 0.108 68.996 68.868 0.035 0.000 1.111 260 T HN 0.589 nan 8.240 nan 0.000 0.529 261 S N 0.119 115.852 115.700 0.054 0.000 2.533 261 S HA 0.563 5.033 4.470 0.001 0.000 0.271 261 S C -2.827 171.804 174.600 0.051 0.000 1.143 261 S CA -1.154 57.072 58.200 0.045 0.000 0.891 261 S CB 1.971 65.195 63.200 0.040 0.000 1.105 261 S HN -0.183 nan 8.310 nan 0.000 0.468 262 P HA -0.174 nan 4.420 nan 0.000 0.217 262 P C 0.826 178.151 177.300 0.042 0.000 1.151 262 P CA 1.774 64.896 63.100 0.036 0.000 0.849 262 P CB -0.138 31.576 31.700 0.024 0.000 0.787 263 D N -1.012 119.410 120.400 0.036 0.000 2.348 263 D HA -0.157 4.483 4.640 0.001 0.000 0.216 263 D C 1.604 177.928 176.300 0.040 0.000 0.970 263 D CA 0.884 54.900 54.000 0.027 0.000 0.889 263 D CB -1.048 39.758 40.800 0.010 0.000 0.912 263 D HN 0.282 nan 8.370 nan 0.000 0.524 264 Q N -0.154 119.698 119.800 0.086 0.000 2.311 264 Q HA 0.109 4.450 4.340 0.001 0.000 0.203 264 Q C 2.279 178.429 176.000 0.249 0.000 0.954 264 Q CA 0.250 56.158 55.803 0.174 0.000 0.885 264 Q CB 0.051 28.979 28.738 0.318 0.000 0.963 264 Q HN 0.345 nan 8.270 nan 0.000 0.471 265 L N -0.132 121.183 121.223 0.153 0.000 2.079 265 L HA -0.202 4.138 4.340 0.001 0.000 0.210 265 L C 2.331 179.269 176.870 0.114 0.000 1.081 265 L CA 0.860 55.777 54.840 0.128 0.000 0.752 265 L CB -0.260 41.841 42.059 0.071 0.000 0.896 265 L HN 0.369 nan 8.230 nan 0.000 0.433 266 M N -0.940 118.705 119.600 0.074 0.000 2.357 266 M HA -0.061 4.419 4.480 0.001 0.000 0.266 266 M C 2.706 179.020 176.300 0.023 0.000 1.095 266 M CA 1.543 56.869 55.300 0.044 0.000 1.156 266 M CB -0.714 31.899 32.600 0.021 0.000 1.365 266 M HN 0.348 nan 8.290 nan 0.000 0.447 267 S N 0.321 116.011 115.700 -0.017 0.000 2.368 267 S HA -0.112 4.359 4.470 0.001 0.000 0.225 267 S C 1.896 176.389 174.600 -0.179 0.000 1.030 267 S CA 1.116 59.238 58.200 -0.130 0.000 0.999 267 S CB -1.025 62.034 63.200 -0.234 0.000 0.844 267 S HN 0.348 nan 8.310 nan 0.000 0.459 268 F N 0.877 120.830 119.950 0.004 0.000 2.206 268 F HA 0.162 4.690 4.527 0.001 0.000 0.298 268 F C 2.226 178.030 175.800 0.006 0.000 1.090 268 F CA 0.366 58.369 58.000 0.005 0.000 1.323 268 F CB -0.377 38.626 39.000 0.004 0.000 1.028 268 F HN 0.199 nan 8.300 nan 0.000 0.492 269 L N 0.550 121.876 121.223 0.173 0.000 2.017 269 L HA -0.197 4.144 4.340 0.001 0.000 0.208 269 L C 2.129 179.037 176.870 0.064 0.000 1.073 269 L CA 1.875 56.777 54.840 0.103 0.000 0.745 269 L CB -0.931 41.174 42.059 0.078 0.000 0.894 269 L HN 0.156 nan 8.230 nan 0.000 0.432 270 E N -1.569 118.652 120.200 0.036 0.000 2.204 270 E HA -0.254 4.096 4.350 0.001 0.000 0.194 270 E C 2.011 178.616 176.600 0.009 0.000 0.989 270 E CA 0.718 57.128 56.400 0.016 0.000 0.824 270 E CB -0.010 29.686 29.700 -0.005 0.000 0.756 270 E HN 0.404 nan 8.360 nan 0.000 0.477 271 Q N 1.472 121.273 119.800 0.001 0.000 2.123 271 Q HA -0.150 4.190 4.340 0.001 0.000 0.199 271 Q C 1.520 177.539 176.000 0.032 0.000 0.966 271 Q CA 1.489 57.290 55.803 -0.003 0.000 0.845 271 Q CB 0.132 28.852 28.738 -0.031 0.000 0.907 271 Q HN 0.284 nan 8.270 nan 0.000 0.439 272 E N -0.077 120.159 120.200 0.060 0.000 2.152 272 E HA -0.154 4.197 4.350 0.001 0.000 0.192 272 E C 1.869 178.500 176.600 0.052 0.000 0.983 272 E CA 0.986 57.423 56.400 0.061 0.000 0.818 272 E CB 0.022 29.766 29.700 0.072 0.000 0.758 272 E HN 0.531 nan 8.360 nan 0.000 0.467 273 E N 1.211 121.442 120.200 0.052 0.000 2.051 273 E HA -0.194 4.157 4.350 0.001 0.000 0.192 273 E C 2.072 178.699 176.600 0.045 0.000 0.991 273 E CA 0.892 57.331 56.400 0.063 0.000 0.799 273 E CB -0.037 29.701 29.700 0.064 0.000 0.748 273 E HN 0.063 nan 8.360 nan 0.000 0.449 274 K N 0.800 121.212 120.400 0.019 0.000 2.057 274 K HA -0.154 4.167 4.320 0.001 0.000 0.207 274 K C 2.156 178.752 176.600 -0.007 0.000 1.049 274 K CA 1.265 57.547 56.287 -0.007 0.000 0.931 274 K CB -0.005 32.488 32.500 -0.012 0.000 0.714 274 K HN 0.065 nan 8.250 nan 0.000 0.440 275 M N 0.327 119.933 119.600 0.009 0.000 2.117 275 M HA -0.187 4.294 4.480 0.001 0.000 0.262 275 M C 2.154 178.462 176.300 0.014 0.000 1.065 275 M CA 1.137 56.442 55.300 0.009 0.000 1.114 275 M CB -0.253 32.358 32.600 0.020 0.000 1.361 275 M HN 0.170 nan 8.290 nan 0.000 0.408 276 L N 0.615 121.857 121.223 0.033 0.000 2.027 276 L HA -0.169 4.172 4.340 0.001 0.000 0.206 276 L C 2.403 179.299 176.870 0.045 0.000 1.074 276 L CA 1.897 56.770 54.840 0.055 0.000 0.745 276 L CB -0.728 41.386 42.059 0.090 0.000 0.898 276 L HN 0.220 nan 8.230 nan 0.000 0.433 277 K N -0.902 119.495 120.400 -0.005 0.000 2.057 277 K HA -0.193 4.127 4.320 0.001 0.000 0.207 277 K C 1.703 178.243 176.600 -0.100 0.000 1.049 277 K CA 1.671 57.863 56.287 -0.158 0.000 0.931 277 K CB -0.122 32.182 32.500 -0.325 0.000 0.714 277 K HN 0.301 nan 8.250 nan 0.000 0.440 278 D N 0.780 121.150 120.400 -0.049 0.000 2.117 278 D HA -0.180 4.461 4.640 0.001 0.000 0.197 278 D C 1.982 178.289 176.300 0.011 0.000 0.987 278 D CA 1.440 55.429 54.000 -0.018 0.000 0.829 278 D CB -0.141 40.653 40.800 -0.011 0.000 0.961 278 D HN 0.326 nan 8.370 nan 0.000 0.460 279 M N 0.141 119.744 119.600 0.006 0.000 2.082 279 M HA -0.172 4.309 4.480 0.001 0.000 0.258 279 M C 2.380 178.700 176.300 0.034 0.000 1.069 279 M CA 1.117 56.425 55.300 0.014 0.000 1.102 279 M CB -0.322 32.284 32.600 0.011 0.000 1.336 279 M HN -0.096 nan 8.290 nan 0.000 0.404 280 V N 0.295 120.222 119.914 0.022 0.000 2.307 280 V HA -0.262 3.858 4.120 0.001 0.000 0.245 280 V C 1.834 177.864 176.094 -0.106 0.000 1.045 280 V CA 1.894 64.196 62.300 0.004 0.000 1.024 280 V CB -0.785 31.100 31.823 0.102 0.000 0.651 280 V HN 0.401 nan 8.190 nan 0.000 0.449 281 D N -1.000 119.355 120.400 -0.076 0.000 2.149 281 D HA -0.208 4.433 4.640 0.001 0.000 0.198 281 D C 2.069 178.279 176.300 -0.150 0.000 0.990 281 D CA 1.471 55.390 54.000 -0.136 0.000 0.839 281 D CB -0.361 40.431 40.800 -0.012 0.000 0.948 281 D HN 0.536 nan 8.370 nan 0.000 0.460 282 H N 0.618 119.613 119.070 -0.125 0.000 2.357 282 H HA -0.023 4.534 4.556 0.001 0.000 0.301 282 H C 2.356 177.614 175.328 -0.117 0.000 1.082 282 H CA 0.836 56.825 56.048 -0.097 0.000 1.342 282 H CB -0.103 29.622 29.762 -0.060 0.000 1.389 282 H HN 0.143 nan 8.280 nan 0.000 0.511 283 I N 0.702 121.258 120.570 -0.024 0.000 2.179 283 I HA -0.262 3.909 4.170 0.001 0.000 0.242 283 I C 2.991 178.988 176.117 -0.199 0.000 1.088 283 I CA 1.055 62.314 61.300 -0.070 0.000 1.357 283 I CB -0.435 37.538 38.000 -0.045 0.000 1.051 283 I HN 0.239 nan 8.210 nan 0.000 0.409 284 A N 0.243 122.854 122.820 -0.349 0.000 1.908 284 A HA -0.286 4.034 4.320 0.001 0.000 0.218 284 A C 2.209 179.617 177.584 -0.294 0.000 1.181 284 A CA 1.722 53.482 52.037 -0.461 0.000 0.627 284 A CB -0.731 17.579 19.000 -1.150 0.000 0.818 284 A HN 0.503 nan 8.150 nan 0.000 0.445 285 Q N -0.560 119.068 119.800 -0.287 0.000 2.291 285 Q HA -0.125 4.216 4.340 0.001 0.000 0.206 285 Q C 2.055 177.939 176.000 -0.193 0.000 0.976 285 Q CA 1.679 57.354 55.803 -0.214 0.000 0.875 285 Q CB -0.427 28.172 28.738 -0.232 0.000 0.927 285 Q HN 0.923 nan 8.270 nan 0.000 0.450 286 T N -4.126 110.303 114.554 -0.208 0.000 3.023 286 T HA 0.146 4.497 4.350 0.001 0.000 0.266 286 T C 1.485 176.136 174.700 -0.081 0.000 1.093 286 T CA 0.766 62.781 62.100 -0.142 0.000 1.129 286 T CB 0.347 69.148 68.868 -0.112 0.000 0.899 286 T HN 0.430 nan 8.240 nan 0.000 0.491 287 G N 1.086 109.837 108.800 -0.083 0.000 2.201 287 G HA2 0.028 3.989 3.960 0.001 0.000 0.212 287 G HA3 0.028 3.989 3.960 0.001 0.000 0.212 287 G C 0.324 175.206 174.900 -0.030 0.000 0.994 287 G CA -0.154 44.919 45.100 -0.044 0.000 0.644 287 G HN 1.138 nan 8.290 nan 0.000 0.508 288 A N 0.603 123.398 122.820 -0.041 0.000 2.546 288 A HA 0.511 4.832 4.320 0.001 0.000 0.243 288 A C 1.088 178.653 177.584 -0.032 0.000 1.063 288 A CA 1.288 53.310 52.037 -0.024 0.000 0.757 288 A CB 0.075 19.060 19.000 -0.025 0.000 0.991 288 A HN 1.189 nan 8.150 nan 0.000 0.503 289 N N 0.464 119.154 118.700 -0.016 0.000 2.171 289 N HA 0.222 4.963 4.740 0.001 0.000 0.212 289 N C -0.689 174.798 175.510 -0.039 0.000 1.184 289 N CA 0.095 53.134 53.050 -0.018 0.000 0.888 289 N CB 0.557 39.044 38.487 -0.001 0.000 1.038 289 N HN 0.252 nan 8.380 nan 0.000 0.517 290 V N 0.733 120.617 119.914 -0.049 0.000 2.686 290 V HA 0.586 4.706 4.120 0.001 0.000 0.306 290 V C -1.047 174.968 176.094 -0.132 0.000 1.065 290 V CA -0.882 61.350 62.300 -0.113 0.000 0.894 290 V CB 2.340 34.123 31.823 -0.068 0.000 1.004 290 V HN -0.086 nan 8.190 nan 0.000 0.424 291 V N 4.729 124.485 119.914 -0.264 0.000 2.569 291 V HA 0.543 4.663 4.120 0.001 0.000 0.301 291 V C -1.139 174.748 176.094 -0.346 0.000 1.044 291 V CA -0.513 61.675 62.300 -0.186 0.000 0.874 291 V CB 1.812 33.578 31.823 -0.094 0.000 1.002 291 V HN 0.687 nan 8.190 nan 0.000 0.424 292 F N 3.487 123.441 119.950 0.007 0.000 2.411 292 F HA 0.659 5.187 4.527 0.001 0.000 0.352 292 F C 0.095 175.900 175.800 0.007 0.000 1.123 292 F CA -0.763 57.240 58.000 0.005 0.000 1.044 292 F CB 1.947 40.946 39.000 -0.002 0.000 1.135 292 F HN 0.198 nan 8.300 nan 0.000 0.461 293 V N 4.140 124.138 119.914 0.141 0.000 2.459 293 V HA 0.182 4.302 4.120 0.001 0.000 0.295 293 V C 0.732 176.882 176.094 0.092 0.000 1.029 293 V CA -0.538 61.818 62.300 0.092 0.000 0.874 293 V CB 1.629 33.483 31.823 0.052 0.000 0.985 293 V HN 0.881 nan 8.190 nan 0.000 0.438 294 Q N 3.382 123.224 119.800 0.071 0.000 2.119 294 Q HA -0.058 4.283 4.340 0.001 0.000 0.201 294 Q C 1.120 177.146 176.000 0.042 0.000 0.972 294 Q CA 1.207 57.042 55.803 0.053 0.000 0.847 294 Q CB 0.298 29.058 28.738 0.037 0.000 0.903 294 Q HN 0.599 nan 8.270 nan 0.000 0.433 295 K N -0.461 119.962 120.400 0.038 0.000 2.727 295 K HA 0.349 4.669 4.320 0.001 0.000 0.299 295 K C 0.341 176.962 176.600 0.034 0.000 0.996 295 K CA 0.109 56.414 56.287 0.031 0.000 1.212 295 K CB -0.537 31.978 32.500 0.026 0.000 1.529 295 K HN 0.182 nan 8.250 nan 0.000 0.646 296 G N 0.100 108.919 108.800 0.030 0.000 2.588 296 G HA2 0.560 4.521 3.960 0.001 0.000 0.281 296 G HA3 0.560 4.521 3.960 0.001 0.000 0.281 296 G C -0.524 174.397 174.900 0.036 0.000 1.236 296 G CA -0.532 44.588 45.100 0.032 0.000 0.969 296 G HN 0.332 nan 8.290 nan 0.000 0.504 297 I N 0.500 121.093 120.570 0.039 0.000 2.529 297 I HA 0.151 4.322 4.170 0.001 0.000 0.284 297 I C -1.190 174.959 176.117 0.053 0.000 1.088 297 I CA -0.827 60.501 61.300 0.046 0.000 1.062 297 I CB 2.100 40.127 38.000 0.046 0.000 1.218 297 I HN 0.277 nan 8.210 nan 0.000 0.442 298 D N 4.773 125.207 120.400 0.056 0.000 2.400 298 D HA -0.010 4.631 4.640 0.001 0.000 0.238 298 D C 0.997 177.340 176.300 0.071 0.000 1.157 298 D CA 0.184 54.219 54.000 0.058 0.000 0.889 298 D CB 1.108 41.943 40.800 0.058 0.000 1.199 298 D HN 0.441 nan 8.370 nan 0.000 0.436 299 D N 0.793 121.233 120.400 0.066 0.000 2.158 299 D HA -0.170 4.470 4.640 0.001 0.000 0.197 299 D C 1.982 178.330 176.300 0.080 0.000 0.995 299 D CA 0.706 54.756 54.000 0.083 0.000 0.846 299 D CB 0.088 40.927 40.800 0.065 0.000 0.941 299 D HN 0.216 nan 8.370 nan 0.000 0.456 300 L N 1.138 122.394 121.223 0.055 0.000 2.017 300 L HA -0.112 4.229 4.340 0.001 0.000 0.208 300 L C 2.264 179.211 176.870 0.128 0.000 1.073 300 L CA 1.785 56.645 54.840 0.034 0.000 0.745 300 L CB -0.810 41.293 42.059 0.075 0.000 0.894 300 L HN -0.041 nan 8.230 nan 0.000 0.432 301 A N -1.197 121.717 122.820 0.158 0.000 1.883 301 A HA -0.283 4.038 4.320 0.001 0.000 0.217 301 A C 2.186 179.852 177.584 0.136 0.000 1.186 301 A CA 1.925 54.073 52.037 0.185 0.000 0.624 301 A CB -0.623 18.450 19.000 0.121 0.000 0.822 301 A HN 0.651 nan 8.150 nan 0.000 0.444 302 Q N -1.496 118.355 119.800 0.084 0.000 2.096 302 Q HA -0.228 4.113 4.340 0.001 0.000 0.204 302 Q C 2.204 178.108 176.000 -0.159 0.000 0.982 302 Q CA 1.535 57.354 55.803 0.026 0.000 0.850 302 Q CB -0.393 28.425 28.738 0.133 0.000 0.901 302 Q HN 0.882 nan 8.270 nan 0.000 0.422 303 H N -0.200 118.727 119.070 -0.239 0.000 2.319 303 H HA -0.181 4.375 4.556 0.001 0.000 0.299 303 H C 1.606 176.728 175.328 -0.343 0.000 1.092 303 H CA 1.774 57.576 56.048 -0.409 0.000 1.302 303 H CB -0.074 29.461 29.762 -0.378 0.000 1.373 303 H HN 0.297 nan 8.280 nan 0.000 0.497 304 Y N 0.132 120.502 120.300 0.117 0.000 2.293 304 Y HA -0.148 4.403 4.550 0.001 0.000 0.291 304 Y C 2.757 178.730 175.900 0.122 0.000 1.137 304 Y CA 0.349 58.524 58.100 0.125 0.000 1.202 304 Y CB -0.281 38.301 38.460 0.203 0.000 0.990 304 Y HN 0.178 nan 8.280 nan 0.000 0.537 305 L N -0.553 120.781 121.223 0.186 0.000 2.046 305 L HA -0.204 4.136 4.340 0.001 0.000 0.208 305 L C 2.504 179.395 176.870 0.034 0.000 1.077 305 L CA 1.952 56.865 54.840 0.121 0.000 0.747 305 L CB -1.827 40.251 42.059 0.032 0.000 0.896 305 L HN 0.233 nan 8.230 nan 0.000 0.432 306 A N -0.540 122.189 122.820 -0.151 0.000 1.877 306 A HA -0.221 4.100 4.320 0.001 0.000 0.216 306 A C 2.358 179.846 177.584 -0.160 0.000 1.186 306 A CA 1.527 53.430 52.037 -0.224 0.000 0.620 306 A CB -0.380 18.289 19.000 -0.552 0.000 0.822 306 A HN 0.339 nan 8.150 nan 0.000 0.443 307 K N -1.557 118.717 120.400 -0.210 0.000 2.063 307 K HA -0.175 4.145 4.320 0.001 0.000 0.208 307 K C 1.620 178.146 176.600 -0.122 0.000 1.048 307 K CA 1.839 58.012 56.287 -0.189 0.000 0.928 307 K CB -0.347 32.042 32.500 -0.184 0.000 0.713 307 K HN 0.671 nan 8.250 nan 0.000 0.442 308 Y N 0.096 120.384 120.300 -0.019 0.000 2.583 308 Y HA -0.016 4.535 4.550 0.001 0.000 0.293 308 Y C 1.287 177.173 175.900 -0.023 0.000 1.157 308 Y CA 0.518 58.614 58.100 -0.007 0.000 1.315 308 Y CB 0.445 38.909 38.460 0.006 0.000 1.021 308 Y HN 0.289 nan 8.280 nan 0.000 0.536 309 G N 1.272 110.124 108.800 0.087 0.000 2.198 309 G HA2 -0.295 3.665 3.960 0.001 0.000 0.257 309 G HA3 -0.295 3.665 3.960 0.001 0.000 0.257 309 G C -0.195 174.729 174.900 0.041 0.000 1.042 309 G CA 0.066 45.191 45.100 0.043 0.000 0.791 309 G HN 0.332 nan 8.290 nan 0.000 0.502 310 I N 0.303 120.898 120.570 0.042 0.000 2.377 310 I HA 0.438 4.608 4.170 0.001 0.000 0.293 310 I C 0.734 176.835 176.117 -0.027 0.000 0.987 310 I CA -0.825 60.478 61.300 0.004 0.000 1.185 310 I CB 1.745 39.745 38.000 0.000 0.000 1.341 310 I HN 0.249 nan 8.210 nan 0.000 0.455 311 M N 6.256 125.822 119.600 -0.056 0.000 2.180 311 M HA 0.623 5.104 4.480 0.001 0.000 0.358 311 M C -0.731 175.476 176.300 -0.154 0.000 1.233 311 M CA -0.044 55.204 55.300 -0.086 0.000 1.114 311 M CB 0.866 33.409 32.600 -0.095 0.000 1.594 311 M HN 0.749 nan 8.290 nan 0.000 0.467 312 A N 4.685 127.422 122.820 -0.139 0.000 2.475 312 A HA 0.806 5.127 4.320 0.001 0.000 0.301 312 A C -1.598 175.885 177.584 -0.167 0.000 1.059 312 A CA -0.658 51.272 52.037 -0.178 0.000 0.710 312 A CB 1.871 20.821 19.000 -0.083 0.000 1.288 312 A HN 0.633 nan 8.150 nan 0.000 0.408 313 V N 2.460 122.248 119.914 -0.210 0.000 2.577 313 V HA 0.581 4.702 4.120 0.001 0.000 0.303 313 V C 0.125 176.224 176.094 0.008 0.000 1.042 313 V CA -0.722 61.528 62.300 -0.084 0.000 0.872 313 V CB 1.566 33.354 31.823 -0.059 0.000 0.998 313 V HN 1.147 nan 8.190 nan 0.000 0.423 314 R N 2.822 123.343 120.500 0.034 0.000 2.700 314 R HA 0.780 5.121 4.340 0.001 0.000 0.253 314 R C -0.066 176.269 176.300 0.060 0.000 1.091 314 R CA -0.929 55.200 56.100 0.048 0.000 1.104 314 R CB 0.454 30.777 30.300 0.038 0.000 1.202 314 R HN 0.337 nan 8.270 nan 0.000 0.532 315 R N -0.687 119.844 120.500 0.051 0.000 3.387 315 R HA -0.120 4.221 4.340 0.001 0.000 0.254 315 R C -0.894 175.437 176.300 0.051 0.000 1.006 315 R CA 0.663 56.789 56.100 0.044 0.000 0.677 315 R CB -2.223 28.097 30.300 0.034 0.000 1.063 315 R HN 0.441 nan 8.270 nan 0.000 0.453 316 V N 1.089 121.046 119.914 0.072 0.000 2.555 316 V HA 0.069 4.190 4.120 0.001 0.000 0.286 316 V C 1.220 177.333 176.094 0.032 0.000 1.044 316 V CA -0.367 61.977 62.300 0.072 0.000 1.026 316 V CB 1.282 33.182 31.823 0.130 0.000 0.981 316 V HN 0.222 nan 8.190 nan 0.000 0.480 317 K N 3.698 124.104 120.400 0.010 0.000 2.489 317 K HA -0.008 4.313 4.320 0.001 0.000 0.278 317 K C 1.296 177.888 176.600 -0.014 0.000 1.000 317 K CA 0.044 56.328 56.287 -0.004 0.000 1.012 317 K CB 0.587 33.078 32.500 -0.015 0.000 0.903 317 K HN 0.596 nan 8.250 nan 0.000 0.485 318 K N 1.938 122.333 120.400 -0.009 0.000 2.059 318 K HA -0.256 4.065 4.320 0.001 0.000 0.212 318 K C 1.934 178.519 176.600 -0.026 0.000 1.050 318 K CA 2.373 58.653 56.287 -0.012 0.000 0.927 318 K CB -0.121 32.375 32.500 -0.007 0.000 0.714 318 K HN 0.706 nan 8.250 nan 0.000 0.447 319 S N 0.393 116.076 115.700 -0.029 0.000 2.400 319 S HA -0.165 4.305 4.470 0.001 0.000 0.232 319 S C 1.476 176.039 174.600 -0.062 0.000 1.025 319 S CA 1.599 59.776 58.200 -0.039 0.000 0.993 319 S CB -0.286 62.894 63.200 -0.033 0.000 0.808 319 S HN 0.319 nan 8.310 nan 0.000 0.478 320 D N 0.923 121.281 120.400 -0.070 0.000 2.194 320 D HA 0.104 4.745 4.640 0.001 0.000 0.204 320 D C 1.972 178.188 176.300 -0.140 0.000 0.964 320 D CA 0.757 54.689 54.000 -0.112 0.000 0.846 320 D CB -0.206 40.527 40.800 -0.112 0.000 0.962 320 D HN 0.315 nan 8.370 nan 0.000 0.490 321 M N 0.668 120.211 119.600 -0.095 0.000 2.117 321 M HA -0.091 4.390 4.480 0.001 0.000 0.262 321 M C 1.870 178.121 176.300 -0.081 0.000 1.065 321 M CA 1.226 56.475 55.300 -0.086 0.000 1.114 321 M CB -0.808 31.774 32.600 -0.030 0.000 1.361 321 M HN 0.116 nan 8.290 nan 0.000 0.408 322 E N 0.114 120.276 120.200 -0.063 0.000 2.110 322 E HA -0.183 4.168 4.350 0.001 0.000 0.193 322 E C 2.014 178.573 176.600 -0.069 0.000 0.988 322 E CA 0.968 57.336 56.400 -0.052 0.000 0.804 322 E CB -0.253 29.423 29.700 -0.040 0.000 0.745 322 E HN 0.544 nan 8.360 nan 0.000 0.458 323 K N 0.743 121.088 120.400 -0.092 0.000 2.097 323 K HA -0.059 4.261 4.320 0.001 0.000 0.205 323 K C 2.265 178.790 176.600 -0.124 0.000 1.050 323 K CA 0.713 56.936 56.287 -0.106 0.000 0.938 323 K CB -0.071 32.356 32.500 -0.123 0.000 0.718 323 K HN 0.080 nan 8.250 nan 0.000 0.442 324 L N 0.382 121.504 121.223 -0.169 0.000 2.093 324 L HA -0.173 4.168 4.340 0.001 0.000 0.208 324 L C 2.519 179.324 176.870 -0.108 0.000 1.085 324 L CA 0.959 55.677 54.840 -0.202 0.000 0.755 324 L CB -0.475 41.371 42.059 -0.354 0.000 0.904 324 L HN 0.204 nan 8.230 nan 0.000 0.435 325 A N 0.397 123.171 122.820 -0.076 0.000 1.858 325 A HA -0.212 4.109 4.320 0.001 0.000 0.216 325 A C 2.292 179.862 177.584 -0.024 0.000 1.190 325 A CA 1.652 53.669 52.037 -0.033 0.000 0.617 325 A CB -0.345 18.641 19.000 -0.023 0.000 0.827 325 A HN 0.317 nan 8.150 nan 0.000 0.443 326 K N -0.228 120.152 120.400 -0.034 0.000 2.147 326 K HA -0.011 4.310 4.320 0.001 0.000 0.205 326 K C 2.212 178.799 176.600 -0.022 0.000 1.049 326 K CA 1.030 57.303 56.287 -0.024 0.000 0.936 326 K CB -0.267 32.215 32.500 -0.031 0.000 0.722 326 K HN 0.449 nan 8.250 nan 0.000 0.446 327 A N 1.386 124.184 122.820 -0.038 0.000 1.855 327 A HA -0.111 4.209 4.320 0.001 0.000 0.213 327 A C 2.305 179.887 177.584 -0.003 0.000 1.195 327 A CA 1.890 53.908 52.037 -0.031 0.000 0.610 327 A CB -0.788 18.175 19.000 -0.062 0.000 0.837 327 A HN 0.416 nan 8.150 nan 0.000 0.444 328 T N -4.732 109.819 114.554 -0.005 0.000 3.067 328 T HA 0.390 4.741 4.350 0.001 0.000 0.257 328 T C 1.444 176.183 174.700 0.066 0.000 1.105 328 T CA 1.204 63.325 62.100 0.035 0.000 1.104 328 T CB 0.209 69.090 68.868 0.021 0.000 0.925 328 T HN 1.732 nan 8.240 nan 0.000 0.498 329 G N 1.237 110.060 108.800 0.039 0.000 2.176 329 G HA2 -0.031 3.930 3.960 0.001 0.000 0.253 329 G HA3 -0.031 3.930 3.960 0.001 0.000 0.253 329 G C 0.320 175.244 174.900 0.040 0.000 0.979 329 G CA -0.046 45.079 45.100 0.041 0.000 0.641 329 G HN 1.149 nan 8.290 nan 0.000 0.530 330 A N -0.068 122.776 122.820 0.040 0.000 2.366 330 A HA 0.658 4.978 4.320 0.001 0.000 0.249 330 A C 0.500 178.101 177.584 0.028 0.000 1.084 330 A CA 0.306 52.369 52.037 0.042 0.000 0.794 330 A CB 0.441 19.473 19.000 0.054 0.000 1.034 330 A HN 0.384 nan 8.150 nan 0.000 0.491 331 K N 1.377 121.795 120.400 0.030 0.000 2.274 331 K HA 0.437 4.757 4.320 0.001 0.000 0.262 331 K C -1.022 175.594 176.600 0.026 0.000 0.961 331 K CA -0.248 56.053 56.287 0.023 0.000 0.833 331 K CB 1.732 34.245 32.500 0.021 0.000 1.102 331 K HN 0.614 nan 8.250 nan 0.000 0.436 332 I N 3.273 123.855 120.570 0.019 0.000 2.598 332 I HA -0.005 4.166 4.170 0.001 0.000 0.284 332 I C -0.019 176.111 176.117 0.022 0.000 1.140 332 I CA -0.251 61.062 61.300 0.022 0.000 1.420 332 I CB 0.441 38.449 38.000 0.013 0.000 1.387 332 I HN 0.160 nan 8.210 nan 0.000 0.553 333 V N 6.090 126.021 119.914 0.027 0.000 2.513 333 V HA 0.187 4.308 4.120 0.001 0.000 0.299 333 V C 0.794 176.898 176.094 0.017 0.000 1.035 333 V CA -0.390 61.923 62.300 0.022 0.000 0.889 333 V CB 1.594 33.434 31.823 0.028 0.000 0.988 333 V HN 0.833 nan 8.190 nan 0.000 0.440 334 T N 2.554 117.114 114.554 0.009 0.000 2.770 334 T HA 0.005 4.356 4.350 0.001 0.000 0.258 334 T C 0.718 175.417 174.700 -0.001 0.000 1.039 334 T CA 1.149 63.252 62.100 0.005 0.000 1.143 334 T CB -0.100 68.769 68.868 0.002 0.000 0.866 334 T HN 0.662 nan 8.240 nan 0.000 0.428 335 N N 0.781 119.474 118.700 -0.012 0.000 2.430 335 N HA 0.304 5.045 4.740 0.001 0.000 0.292 335 N C 0.849 176.332 175.510 -0.045 0.000 1.051 335 N CA -0.500 52.532 53.050 -0.029 0.000 0.917 335 N CB 2.361 40.824 38.487 -0.041 0.000 1.164 335 N HN -0.141 nan 8.380 nan 0.000 0.484 336 V N 3.403 123.285 119.914 -0.054 0.000 2.278 336 V HA -0.352 3.768 4.120 0.001 0.000 0.251 336 V C 2.357 178.324 176.094 -0.212 0.000 1.062 336 V CA 1.867 64.126 62.300 -0.068 0.000 1.038 336 V CB -0.671 31.119 31.823 -0.056 0.000 0.646 336 V HN 0.803 nan 8.190 nan 0.000 0.447 337 K N 0.140 120.350 120.400 -0.317 0.000 2.218 337 K HA -0.226 4.095 4.320 0.001 0.000 0.205 337 K C 1.259 177.674 176.600 -0.309 0.000 1.046 337 K CA 2.055 58.024 56.287 -0.531 0.000 0.933 337 K CB -0.404 31.923 32.500 -0.288 0.000 0.728 337 K HN 0.425 nan 8.250 nan 0.000 0.454 338 D N 0.786 121.114 120.400 -0.119 0.000 2.340 338 D HA 0.014 4.655 4.640 0.001 0.000 0.220 338 D C 0.175 176.507 176.300 0.054 0.000 1.039 338 D CA 0.037 54.026 54.000 -0.018 0.000 0.866 338 D CB 0.028 40.821 40.800 -0.013 0.000 0.913 338 D HN 0.130 nan 8.370 nan 0.000 0.523 339 L N 1.866 123.151 121.223 0.103 0.000 2.455 339 L HA 0.148 4.489 4.340 0.001 0.000 0.272 339 L C 0.483 177.464 176.870 0.185 0.000 1.174 339 L CA 0.518 55.448 54.840 0.150 0.000 0.869 339 L CB 0.684 42.841 42.059 0.162 0.000 1.130 339 L HN -0.052 nan 8.230 nan 0.000 0.474 340 T N 1.417 116.021 114.554 0.083 0.000 2.887 340 T HA 0.568 4.919 4.350 0.001 0.000 0.292 340 T C -2.236 172.472 174.700 0.014 0.000 1.087 340 T CA -1.632 60.491 62.100 0.039 0.000 1.009 340 T CB 1.601 70.490 68.868 0.035 0.000 1.203 340 T HN 0.324 nan 8.240 nan 0.000 0.518 341 P HA -0.007 nan 4.420 nan 0.000 0.217 341 P C 1.024 178.332 177.300 0.012 0.000 1.150 341 P CA 0.949 64.047 63.100 -0.004 0.000 0.832 341 P CB 0.012 31.704 31.700 -0.013 0.000 0.787 342 E N -0.678 119.529 120.200 0.012 0.000 2.333 342 E HA -0.152 4.198 4.350 0.001 0.000 0.198 342 E C 1.306 177.920 176.600 0.023 0.000 1.007 342 E CA 0.946 57.356 56.400 0.016 0.000 0.845 342 E CB -0.824 28.883 29.700 0.013 0.000 0.766 342 E HN 0.329 nan 8.360 nan 0.000 0.507 343 D N -0.402 120.015 120.400 0.028 0.000 2.333 343 D HA 0.013 4.654 4.640 0.001 0.000 0.208 343 D C 0.370 176.696 176.300 0.042 0.000 0.984 343 D CA 0.167 54.188 54.000 0.034 0.000 0.873 343 D CB 0.185 41.008 40.800 0.038 0.000 0.935 343 D HN 0.198 nan 8.370 nan 0.000 0.521 344 L N 0.781 122.030 121.223 0.044 0.000 2.439 344 L HA 0.310 4.651 4.340 0.001 0.000 0.269 344 L C 1.331 178.246 176.870 0.074 0.000 1.179 344 L CA -0.287 54.587 54.840 0.058 0.000 0.828 344 L CB 0.723 42.814 42.059 0.053 0.000 1.106 344 L HN -0.094 nan 8.230 nan 0.000 0.467 345 G N 0.767 109.621 108.800 0.089 0.000 2.613 345 G HA2 0.432 4.392 3.960 0.001 0.000 0.303 345 G HA3 0.432 4.392 3.960 0.001 0.000 0.303 345 G C -1.949 173.049 174.900 0.164 0.000 1.312 345 G CA -0.245 44.919 45.100 0.108 0.000 1.036 345 G HN 0.502 nan 8.290 nan 0.000 0.513 346 Y N -0.646 119.673 120.300 0.032 0.000 2.477 346 Y HA 0.647 5.197 4.550 0.001 0.000 0.347 346 Y C -0.499 175.423 175.900 0.037 0.000 0.981 346 Y CA -0.910 57.209 58.100 0.033 0.000 1.033 346 Y CB 2.122 40.596 38.460 0.023 0.000 1.245 346 Y HN 0.829 nan 8.280 nan 0.000 0.455 347 A N 4.924 127.161 122.820 -0.972 0.000 2.459 347 A HA 0.336 4.657 4.320 0.001 0.000 0.296 347 A C 0.252 177.301 177.584 -0.892 0.000 1.039 347 A CA -0.455 51.171 52.037 -0.685 0.000 0.698 347 A CB 1.407 20.259 19.000 -0.245 0.000 1.261 347 A HN 0.976 nan 8.150 nan 0.000 0.405 348 E N 0.826 120.699 120.200 -0.545 0.000 2.160 348 E HA -0.023 4.327 4.350 0.001 0.000 0.195 348 E C -0.154 176.365 176.600 -0.135 0.000 0.991 348 E CA 1.576 57.844 56.400 -0.221 0.000 0.810 348 E CB 0.123 29.822 29.700 -0.001 0.000 0.742 348 E HN 0.523 nan 8.360 nan 0.000 0.466 349 V N 0.179 120.024 119.914 -0.115 0.000 2.969 349 V HA 0.267 4.388 4.120 0.001 0.000 0.304 349 V C -1.095 174.992 176.094 -0.012 0.000 1.192 349 V CA -0.886 61.386 62.300 -0.047 0.000 0.962 349 V CB 2.298 34.112 31.823 -0.014 0.000 1.045 349 V HN -0.171 nan 8.190 nan 0.000 0.428 350 V N 3.517 123.441 119.914 0.016 0.000 2.525 350 V HA 0.700 4.820 4.120 0.001 0.000 0.299 350 V C -0.536 175.604 176.094 0.077 0.000 1.034 350 V CA -0.330 62.015 62.300 0.075 0.000 0.863 350 V CB 1.761 33.633 31.823 0.082 0.000 0.999 350 V HN 0.994 nan 8.190 nan 0.000 0.423 351 E N 3.163 123.439 120.200 0.127 0.000 2.372 351 E HA 0.424 4.774 4.350 0.001 0.000 0.279 351 E C -1.326 175.373 176.600 0.166 0.000 0.946 351 E CA -0.680 55.781 56.400 0.101 0.000 0.769 351 E CB 2.478 32.204 29.700 0.044 0.000 1.230 351 E HN 0.750 nan 8.360 nan 0.000 0.442 352 E N 3.629 123.899 120.200 0.116 0.000 2.200 352 E HA 0.329 4.679 4.350 0.001 0.000 0.283 352 E C -0.937 175.733 176.600 0.116 0.000 1.015 352 E CA -0.319 56.163 56.400 0.137 0.000 0.819 352 E CB 0.841 30.589 29.700 0.081 0.000 1.081 352 E HN 0.364 nan 8.360 nan 0.000 0.397 353 R N 3.406 124.014 120.500 0.181 0.000 2.771 353 R HA 0.390 4.731 4.340 0.001 0.000 0.274 353 R C -0.796 175.586 176.300 0.138 0.000 0.987 353 R CA -0.966 55.192 56.100 0.096 0.000 0.908 353 R CB 1.957 32.224 30.300 -0.055 0.000 1.213 353 R HN 0.343 nan 8.270 nan 0.000 0.468 354 K N 2.141 122.584 120.400 0.072 0.000 2.183 354 K HA 0.429 4.749 4.320 0.001 0.000 0.274 354 K C -0.792 175.853 176.600 0.075 0.000 1.009 354 K CA -0.359 55.972 56.287 0.072 0.000 0.888 354 K CB 1.022 33.545 32.500 0.039 0.000 1.078 354 K HN 0.318 nan 8.250 nan 0.000 0.459 355 L N 2.404 123.682 121.223 0.092 0.000 2.343 355 L HA 0.340 4.680 4.340 0.001 0.000 0.278 355 L C 0.230 177.132 176.870 0.054 0.000 0.996 355 L CA -0.586 54.305 54.840 0.085 0.000 0.831 355 L CB 1.719 43.855 42.059 0.129 0.000 1.232 355 L HN 0.943 nan 8.230 nan 0.000 0.413 356 A N 2.789 125.631 122.820 0.038 0.000 2.791 356 A HA -0.101 4.219 4.320 0.001 0.000 0.292 356 A C 1.370 178.968 177.584 0.025 0.000 1.487 356 A CA 1.035 53.088 52.037 0.027 0.000 0.760 356 A CB -1.884 17.131 19.000 0.025 0.000 1.031 356 A HN 1.686 nan 8.150 nan 0.000 0.503 357 G N -1.932 106.883 108.800 0.025 0.000 2.196 357 G HA2 -0.274 3.686 3.960 0.001 0.000 0.268 357 G HA3 -0.274 3.686 3.960 0.001 0.000 0.268 357 G C -0.117 174.799 174.900 0.026 0.000 0.975 357 G CA 1.193 46.306 45.100 0.022 0.000 0.648 357 G HN 1.314 nan 8.290 nan 0.000 0.538 358 E N 0.892 121.113 120.200 0.034 0.000 2.151 358 E HA 0.380 4.730 4.350 0.001 0.000 0.275 358 E C -0.120 176.511 176.600 0.052 0.000 0.936 358 E CA -0.904 55.517 56.400 0.035 0.000 0.777 358 E CB 0.736 30.454 29.700 0.029 0.000 1.108 358 E HN 0.227 nan 8.360 nan 0.000 0.401 359 N N 3.308 122.037 118.700 0.048 0.000 2.492 359 N HA 0.185 4.926 4.740 0.001 0.000 0.262 359 N C -0.472 175.082 175.510 0.073 0.000 1.202 359 N CA 0.665 53.754 53.050 0.065 0.000 0.926 359 N CB 0.615 39.132 38.487 0.050 0.000 1.078 359 N HN 0.421 nan 8.380 nan 0.000 0.454 360 M N 1.511 121.181 119.600 0.117 0.000 2.618 360 M HA 0.486 4.966 4.480 0.001 0.000 0.281 360 M C -0.804 175.580 176.300 0.139 0.000 1.267 360 M CA -0.665 54.684 55.300 0.081 0.000 0.845 360 M CB 2.341 34.957 32.600 0.026 0.000 1.732 360 M HN 0.172 nan 8.290 nan 0.000 0.461 361 I N 1.533 122.126 120.570 0.038 0.000 2.362 361 I HA 0.405 4.576 4.170 0.001 0.000 0.289 361 I C -1.427 174.683 176.117 -0.010 0.000 0.994 361 I CA -0.412 60.962 61.300 0.124 0.000 1.158 361 I CB 1.206 39.312 38.000 0.177 0.000 1.315 361 I HN 0.432 nan 8.210 nan 0.000 0.451 362 F N 5.770 125.751 119.950 0.051 0.000 2.415 362 F HA 0.419 4.946 4.527 0.001 0.000 0.348 362 F C 0.113 175.932 175.800 0.031 0.000 1.119 362 F CA -0.732 57.283 58.000 0.026 0.000 1.069 362 F CB 1.656 40.663 39.000 0.012 0.000 1.124 362 F HN -0.003 nan 8.300 nan 0.000 0.472 363 V N 4.196 124.179 119.914 0.115 0.000 2.284 363 V HA 0.308 4.429 4.120 0.001 0.000 0.274 363 V C -0.349 175.770 176.094 0.043 0.000 1.023 363 V CA -0.634 61.704 62.300 0.064 0.000 0.808 363 V CB 0.531 32.346 31.823 -0.013 0.000 1.035 363 V HN 0.802 nan 8.190 nan 0.000 0.445 364 E N 2.502 122.736 120.200 0.057 0.000 2.339 364 E HA 0.736 5.087 4.350 0.001 0.000 0.262 364 E C 0.633 177.234 176.600 0.001 0.000 0.934 364 E CA -0.638 55.789 56.400 0.045 0.000 0.802 364 E CB 1.990 31.743 29.700 0.088 0.000 1.275 364 E HN 0.680 nan 8.360 nan 0.000 0.427 365 G N 0.241 109.053 108.800 0.019 0.000 2.221 365 G HA2 -0.284 3.676 3.960 0.001 0.000 0.265 365 G HA3 -0.284 3.676 3.960 0.001 0.000 0.265 365 G C 0.104 175.034 174.900 0.051 0.000 1.041 365 G CA 0.076 45.195 45.100 0.032 0.000 0.807 365 G HN 0.581 nan 8.290 nan 0.000 0.502 366 C N 0.329 119.654 119.300 0.041 0.000 2.657 366 C HA 0.412 4.873 4.460 0.001 0.000 0.404 366 C C 2.131 177.207 174.990 0.143 0.000 1.291 366 C CA -0.212 58.859 59.018 0.088 0.000 2.218 366 C CB 1.471 29.237 27.740 0.043 0.000 2.687 366 C HN 0.601 nan 8.230 nan 0.000 0.634 367 K N 1.759 122.286 120.400 0.212 0.000 1.974 367 K HA -0.144 4.177 4.320 0.001 0.000 0.226 367 K C 0.820 177.463 176.600 0.072 0.000 1.039 367 K CA 1.688 58.053 56.287 0.130 0.000 1.022 367 K CB -0.284 32.272 32.500 0.093 0.000 0.746 367 K HN 0.787 nan 8.250 nan 0.000 0.445 368 N N 1.224 119.957 118.700 0.055 0.000 2.918 368 N HA 0.188 4.928 4.740 0.001 0.000 0.270 368 N C -2.660 172.867 175.510 0.029 0.000 1.536 368 N CA -1.446 51.625 53.050 0.035 0.000 0.877 368 N CB 0.868 39.371 38.487 0.027 0.000 1.190 368 N HN 0.084 nan 8.380 nan 0.000 0.492 369 P HA 0.008 nan 4.420 nan 0.000 0.265 369 P C 0.079 177.378 177.300 -0.002 0.000 1.187 369 P CA 0.002 63.107 63.100 0.009 0.000 0.766 369 P CB 1.034 32.733 31.700 -0.001 0.000 0.820 370 K N 0.641 121.036 120.400 -0.009 0.000 2.358 370 K HA 0.362 4.683 4.320 0.001 0.000 0.197 370 K C 0.670 177.252 176.600 -0.031 0.000 1.025 370 K CA -0.023 56.257 56.287 -0.012 0.000 1.104 370 K CB 0.508 33.005 32.500 -0.005 0.000 0.855 370 K HN 0.571 nan 8.250 nan 0.000 0.531 371 A N 0.475 123.268 122.820 -0.044 0.000 2.414 371 A HA 0.711 5.032 4.320 0.001 0.000 0.306 371 A C -0.896 176.642 177.584 -0.076 0.000 1.054 371 A CA -0.563 51.433 52.037 -0.068 0.000 0.724 371 A CB 1.763 20.717 19.000 -0.076 0.000 1.267 371 A HN -0.088 nan 8.150 nan 0.000 0.418 372 V N 0.357 120.210 119.914 -0.101 0.000 3.167 372 V HA 0.825 4.946 4.120 0.001 0.000 0.310 372 V C -0.439 175.570 176.094 -0.142 0.000 1.207 372 V CA -0.351 61.889 62.300 -0.101 0.000 1.059 372 V CB 2.853 34.626 31.823 -0.084 0.000 1.079 372 V HN 1.013 nan 8.190 nan 0.000 0.446 373 T N 2.650 117.132 114.554 -0.120 0.000 2.921 373 T HA 0.599 4.950 4.350 0.001 0.000 0.297 373 T C -0.868 173.779 174.700 -0.089 0.000 1.013 373 T CA -0.115 61.902 62.100 -0.138 0.000 0.990 373 T CB 1.205 70.000 68.868 -0.121 0.000 1.023 373 T HN 0.385 nan 8.240 nan 0.000 0.447 374 I N 3.403 123.916 120.570 -0.095 0.000 2.328 374 I HA 0.346 4.517 4.170 0.001 0.000 0.287 374 I C -0.280 175.895 176.117 0.096 0.000 1.012 374 I CA -0.677 60.644 61.300 0.036 0.000 1.195 374 I CB 1.144 39.231 38.000 0.146 0.000 1.350 374 I HN 0.333 nan 8.210 nan 0.000 0.464 375 L N 8.004 129.273 121.223 0.076 0.000 2.278 375 L HA 0.470 4.811 4.340 0.001 0.000 0.287 375 L C -0.347 176.572 176.870 0.082 0.000 1.072 375 L CA -0.378 54.508 54.840 0.076 0.000 0.819 375 L CB 0.597 42.716 42.059 0.100 0.000 1.176 375 L HN 0.531 nan 8.230 nan 0.000 0.435 376 I N 5.568 126.184 120.570 0.077 0.000 2.353 376 I HA 0.372 4.543 4.170 0.001 0.000 0.293 376 I C 0.063 176.195 176.117 0.025 0.000 0.992 376 I CA -0.592 60.736 61.300 0.046 0.000 1.268 376 I CB 1.019 39.038 38.000 0.032 0.000 1.387 376 I HN 0.521 nan 8.210 nan 0.000 0.478 377 R N 3.838 124.342 120.500 0.006 0.000 2.892 377 R HA 0.888 5.229 4.340 0.001 0.000 0.265 377 R C -0.400 175.887 176.300 -0.021 0.000 1.025 377 R CA -1.070 55.029 56.100 -0.001 0.000 0.982 377 R CB 2.077 32.376 30.300 -0.001 0.000 1.185 377 R HN 0.869 nan 8.270 nan 0.000 0.484 378 G N -1.406 107.386 108.800 -0.013 0.000 2.377 378 G HA2 0.301 4.262 3.960 0.001 0.000 0.297 378 G HA3 0.301 4.262 3.960 0.001 0.000 0.297 378 G C 0.053 174.955 174.900 0.004 0.000 1.547 378 G CA -0.274 44.819 45.100 -0.011 0.000 0.833 378 G HN 0.526 nan 8.290 nan 0.000 0.583 379 G N -0.936 107.872 108.800 0.012 0.000 2.776 379 G HA2 0.408 4.368 3.960 0.001 0.000 0.209 379 G HA3 0.408 4.368 3.960 0.001 0.000 0.209 379 G C 0.490 175.406 174.900 0.027 0.000 1.145 379 G CA 1.431 46.542 45.100 0.019 0.000 0.791 379 G HN 0.885 nan 8.290 nan 0.000 0.530 380 T N -1.384 113.189 114.554 0.031 0.000 2.885 380 T HA 0.286 4.636 4.350 0.001 0.000 0.322 380 T C 0.328 175.049 174.700 0.034 0.000 1.387 380 T CA -0.564 61.563 62.100 0.045 0.000 1.041 380 T CB 1.897 70.808 68.868 0.071 0.000 1.287 380 T HN 0.010 nan 8.240 nan 0.000 0.491 381 E N 0.371 120.582 120.200 0.018 0.000 2.077 381 E HA -0.099 4.252 4.350 0.001 0.000 0.193 381 E C 1.445 177.992 176.600 -0.089 0.000 0.989 381 E CA 1.638 58.008 56.400 -0.052 0.000 0.800 381 E CB -0.079 29.560 29.700 -0.103 0.000 0.746 381 E HN 0.601 nan 8.360 nan 0.000 0.452 382 H N -0.938 118.130 119.070 -0.003 0.000 2.387 382 H HA -0.055 4.502 4.556 0.001 0.000 0.299 382 H C 1.951 177.275 175.328 -0.008 0.000 1.090 382 H CA 1.346 57.390 56.048 -0.006 0.000 1.332 382 H CB -0.016 29.744 29.762 -0.003 0.000 1.386 382 H HN -0.022 nan 8.280 nan 0.000 0.516 383 V N 0.195 120.174 119.914 0.108 0.000 2.295 383 V HA -0.236 3.885 4.120 0.001 0.000 0.246 383 V C 2.204 178.310 176.094 0.021 0.000 1.049 383 V CA 1.661 63.996 62.300 0.059 0.000 1.024 383 V CB -0.464 31.389 31.823 0.049 0.000 0.648 383 V HN 0.298 nan 8.190 nan 0.000 0.447 384 I N 0.511 121.083 120.570 0.003 0.000 2.151 384 I HA -0.271 3.899 4.170 0.001 0.000 0.243 384 I C 2.160 178.251 176.117 -0.042 0.000 1.080 384 I CA 1.852 63.140 61.300 -0.021 0.000 1.339 384 I CB -0.579 37.406 38.000 -0.024 0.000 1.039 384 I HN 0.342 nan 8.210 nan 0.000 0.409 385 D N -0.364 120.006 120.400 -0.050 0.000 2.117 385 D HA -0.206 4.435 4.640 0.001 0.000 0.198 385 D C 2.141 178.408 176.300 -0.055 0.000 0.982 385 D CA 1.039 55.001 54.000 -0.064 0.000 0.828 385 D CB -0.217 40.536 40.800 -0.079 0.000 0.967 385 D HN 0.325 nan 8.370 nan 0.000 0.464 386 E N 0.528 120.715 120.200 -0.021 0.000 2.208 386 E HA -0.074 4.276 4.350 0.001 0.000 0.193 386 E C 1.923 178.497 176.600 -0.044 0.000 0.988 386 E CA 0.321 56.710 56.400 -0.019 0.000 0.828 386 E CB -0.046 29.663 29.700 0.015 0.000 0.763 386 E HN 0.007 nan 8.360 nan 0.000 0.478 387 V N 0.691 120.577 119.914 -0.047 0.000 2.379 387 V HA -0.191 3.930 4.120 0.001 0.000 0.245 387 V C 2.371 178.379 176.094 -0.143 0.000 1.044 387 V CA 2.033 64.296 62.300 -0.061 0.000 1.036 387 V CB -0.471 31.328 31.823 -0.039 0.000 0.664 387 V HN 0.383 nan 8.190 nan 0.000 0.453 388 E N 0.180 120.270 120.200 -0.184 0.000 2.085 388 E HA -0.263 4.088 4.350 0.001 0.000 0.194 388 E C 2.467 178.840 176.600 -0.378 0.000 0.994 388 E CA 1.412 57.595 56.400 -0.361 0.000 0.801 388 E CB -0.052 29.485 29.700 -0.273 0.000 0.743 388 E HN 0.487 nan 8.360 nan 0.000 0.453 389 R N -0.216 120.160 120.500 -0.207 0.000 2.081 389 R HA -0.122 4.218 4.340 0.001 0.000 0.235 389 R C 2.402 178.620 176.300 -0.136 0.000 1.131 389 R CA 1.112 57.121 56.100 -0.151 0.000 0.960 389 R CB -0.276 29.975 30.300 -0.082 0.000 0.856 389 R HN 0.180 nan 8.270 nan 0.000 0.436 390 A N 1.034 123.785 122.820 -0.114 0.000 1.902 390 A HA -0.127 4.194 4.320 0.001 0.000 0.217 390 A C 2.141 179.669 177.584 -0.093 0.000 1.181 390 A CA 1.110 53.103 52.037 -0.074 0.000 0.623 390 A CB -0.491 18.484 19.000 -0.041 0.000 0.818 390 A HN 0.197 nan 8.150 nan 0.000 0.443 391 L N -0.707 120.409 121.223 -0.178 0.000 2.141 391 L HA -0.189 4.152 4.340 0.001 0.000 0.209 391 L C 2.553 179.338 176.870 -0.142 0.000 1.094 391 L CA 1.395 56.131 54.840 -0.173 0.000 0.763 391 L CB -0.498 41.364 42.059 -0.329 0.000 0.908 391 L HN 0.498 nan 8.230 nan 0.000 0.437 392 E N -0.118 119.917 120.200 -0.274 0.000 2.077 392 E HA -0.210 4.140 4.350 0.001 0.000 0.193 392 E C 1.642 178.247 176.600 0.009 0.000 0.989 392 E CA 1.211 57.561 56.400 -0.083 0.000 0.800 392 E CB -0.000 29.632 29.700 -0.113 0.000 0.746 392 E HN 0.476 nan 8.360 nan 0.000 0.452 393 D N 0.575 120.961 120.400 -0.023 0.000 2.084 393 D HA -0.097 4.543 4.640 0.001 0.000 0.196 393 D C 1.990 178.302 176.300 0.020 0.000 0.985 393 D CA 1.258 55.258 54.000 0.001 0.000 0.826 393 D CB -0.339 40.455 40.800 -0.010 0.000 0.978 393 D HN 0.124 nan 8.370 nan 0.000 0.456 394 A N 0.850 123.682 122.820 0.020 0.000 1.917 394 A HA -0.180 4.141 4.320 0.001 0.000 0.219 394 A C 2.531 180.147 177.584 0.053 0.000 1.182 394 A CA 1.428 53.485 52.037 0.035 0.000 0.633 394 A CB -0.913 18.110 19.000 0.038 0.000 0.819 394 A HN 0.169 nan 8.150 nan 0.000 0.448 395 V N -0.391 119.577 119.914 0.091 0.000 2.515 395 V HA -0.219 3.902 4.120 0.001 0.000 0.250 395 V C 2.489 178.621 176.094 0.064 0.000 1.058 395 V CA 2.339 64.701 62.300 0.103 0.000 1.064 395 V CB -0.470 31.477 31.823 0.208 0.000 0.675 395 V HN 0.571 nan 8.190 nan 0.000 0.461 396 K N -0.261 120.174 120.400 0.059 0.000 2.057 396 K HA -0.125 4.195 4.320 0.001 0.000 0.206 396 K C 2.017 178.633 176.600 0.026 0.000 1.050 396 K CA 1.670 57.981 56.287 0.040 0.000 0.935 396 K CB -0.229 32.293 32.500 0.036 0.000 0.715 396 K HN 0.549 nan 8.250 nan 0.000 0.439 397 V N -1.717 118.211 119.914 0.023 0.000 2.427 397 V HA -0.151 3.969 4.120 0.001 0.000 0.248 397 V C 2.065 178.166 176.094 0.011 0.000 1.051 397 V CA 1.260 63.570 62.300 0.017 0.000 1.048 397 V CB -0.696 31.137 31.823 0.016 0.000 0.666 397 V HN -0.039 nan 8.190 nan 0.000 0.456 398 V N 0.864 120.785 119.914 0.010 0.000 2.295 398 V HA -0.284 3.836 4.120 0.001 0.000 0.246 398 V C 2.726 178.811 176.094 -0.015 0.000 1.049 398 V CA 2.696 64.993 62.300 -0.005 0.000 1.024 398 V CB -0.874 30.945 31.823 -0.006 0.000 0.648 398 V HN 0.712 nan 8.190 nan 0.000 0.447 399 K N 0.014 120.410 120.400 -0.006 0.000 2.032 399 K HA -0.269 4.052 4.320 0.001 0.000 0.209 399 K C 1.842 178.445 176.600 0.005 0.000 1.048 399 K CA 2.158 58.441 56.287 -0.006 0.000 0.927 399 K CB -0.339 32.166 32.500 0.008 0.000 0.712 399 K HN 0.443 nan 8.250 nan 0.000 0.441 400 D N 0.447 120.854 120.400 0.011 0.000 2.116 400 D HA -0.162 4.479 4.640 0.001 0.000 0.193 400 D C 1.996 178.307 176.300 0.018 0.000 0.998 400 D CA 1.437 55.447 54.000 0.017 0.000 0.836 400 D CB -0.270 40.540 40.800 0.016 0.000 0.951 400 D HN 0.105 nan 8.370 nan 0.000 0.449 401 V N 0.890 120.811 119.914 0.011 0.000 2.427 401 V HA -0.194 3.927 4.120 0.001 0.000 0.248 401 V C 2.472 178.577 176.094 0.018 0.000 1.051 401 V CA 1.174 63.482 62.300 0.013 0.000 1.048 401 V CB -0.369 31.457 31.823 0.005 0.000 0.666 401 V HN 0.218 nan 8.190 nan 0.000 0.456 402 M N -0.692 118.907 119.600 -0.003 0.000 2.319 402 M HA -0.120 4.361 4.480 0.001 0.000 0.265 402 M C 2.082 178.447 176.300 0.109 0.000 1.068 402 M CA 1.575 56.874 55.300 -0.002 0.000 1.118 402 M CB -0.316 32.193 32.600 -0.153 0.000 1.395 402 M HN 0.421 nan 8.290 nan 0.000 0.435 403 E N -0.006 120.241 120.200 0.077 0.000 2.190 403 E HA -0.042 4.308 4.350 0.001 0.000 0.191 403 E C -0.353 176.288 176.600 0.068 0.000 0.978 403 E CA 0.530 56.984 56.400 0.090 0.000 0.839 403 E CB 0.338 30.075 29.700 0.062 0.000 0.787 403 E HN 0.421 nan 8.360 nan 0.000 0.473 404 D N 0.500 120.931 120.400 0.051 0.000 2.454 404 D HA 0.161 4.801 4.640 0.001 0.000 0.247 404 D C -0.124 176.200 176.300 0.040 0.000 1.129 404 D CA -0.267 53.757 54.000 0.040 0.000 0.877 404 D CB 1.324 42.141 40.800 0.028 0.000 1.082 404 D HN 0.013 nan 8.370 nan 0.000 0.537 405 G N 1.182 110.010 108.800 0.046 0.000 3.090 405 G HA2 0.419 4.380 3.960 0.001 0.000 0.259 405 G HA3 0.419 4.380 3.960 0.001 0.000 0.259 405 G C 0.079 174.997 174.900 0.030 0.000 0.797 405 G CA -0.234 44.892 45.100 0.044 0.000 2.032 405 G HN 0.518 nan 8.290 nan 0.000 0.614 406 A N 0.163 122.998 122.820 0.025 0.000 2.488 406 A HA 0.784 5.105 4.320 0.001 0.000 0.298 406 A C -0.445 177.150 177.584 0.018 0.000 1.044 406 A CA -0.336 51.712 52.037 0.020 0.000 0.693 406 A CB 1.739 20.750 19.000 0.018 0.000 1.272 406 A HN 1.297 nan 8.150 nan 0.000 0.402 407 V N -0.255 119.669 119.914 0.017 0.000 3.158 407 V HA 0.947 5.068 4.120 0.001 0.000 0.311 407 V C -0.786 175.318 176.094 0.017 0.000 1.181 407 V CA -0.973 61.337 62.300 0.017 0.000 1.054 407 V CB 1.662 33.495 31.823 0.016 0.000 1.085 407 V HN 0.891 nan 8.190 nan 0.000 0.446 408 L N 0.921 122.155 121.223 0.019 0.000 2.415 408 L HA 0.661 5.002 4.340 0.001 0.000 0.256 408 L C -2.665 174.219 176.870 0.025 0.000 1.010 408 L CA -1.877 52.976 54.840 0.022 0.000 0.826 408 L CB 3.163 45.235 42.059 0.021 0.000 1.405 408 L HN 0.527 nan 8.230 nan 0.000 0.410 409 P HA 0.235 nan 4.420 nan 0.000 0.274 409 P C -0.939 176.378 177.300 0.030 0.000 1.246 409 P CA -0.159 62.961 63.100 0.034 0.000 0.795 409 P CB 1.622 33.349 31.700 0.046 0.000 1.006 410 A N 0.826 123.662 122.820 0.026 0.000 3.687 410 A HA 0.668 4.988 4.320 0.001 0.000 0.164 410 A C 1.162 178.754 177.584 0.013 0.000 1.564 410 A CA -0.072 51.975 52.037 0.016 0.000 0.896 410 A CB -0.893 18.115 19.000 0.013 0.000 1.731 410 A HN 0.683 nan 8.150 nan 0.000 0.607 411 G N -2.018 106.781 108.800 -0.001 0.000 2.258 411 G HA2 0.182 4.143 3.960 0.001 0.000 0.274 411 G HA3 0.182 4.143 3.960 0.001 0.000 0.274 411 G C 1.665 176.557 174.900 -0.014 0.000 1.021 411 G CA 1.344 46.437 45.100 -0.011 0.000 0.798 411 G HN 2.604 nan 8.290 nan 0.000 0.507 412 G N -1.688 107.100 108.800 -0.020 0.000 2.184 412 G HA2 0.036 3.996 3.960 0.001 0.000 0.264 412 G HA3 0.036 3.996 3.960 0.001 0.000 0.264 412 G C 1.677 176.553 174.900 -0.040 0.000 0.975 412 G CA 1.372 46.452 45.100 -0.035 0.000 0.642 412 G HN 2.070 nan 8.290 nan 0.000 0.536 413 A N 0.983 123.802 122.820 -0.001 0.000 1.883 413 A HA 0.180 4.500 4.320 0.001 0.000 0.217 413 A C 0.645 178.220 177.584 -0.016 0.000 1.186 413 A CA 2.504 54.561 52.037 0.033 0.000 0.624 413 A CB -1.106 17.971 19.000 0.128 0.000 0.822 413 A HN 0.469 nan 8.150 nan 0.000 0.444 414 P HA -0.205 nan 4.420 nan 0.000 0.214 414 P C 1.234 178.512 177.300 -0.036 0.000 1.163 414 P CA 1.627 64.727 63.100 0.000 0.000 0.883 414 P CB -0.162 31.541 31.700 0.007 0.000 0.788 415 E N -0.176 119.995 120.200 -0.049 0.000 2.153 415 E HA -0.150 4.200 4.350 0.001 0.000 0.194 415 E C 2.138 178.681 176.600 -0.096 0.000 0.988 415 E CA 1.148 57.514 56.400 -0.056 0.000 0.811 415 E CB -1.332 28.333 29.700 -0.058 0.000 0.746 415 E HN 0.328 nan 8.360 nan 0.000 0.466 416 I N 1.208 121.674 120.570 -0.174 0.000 2.252 416 I HA -0.237 3.934 4.170 0.001 0.000 0.245 416 I C 2.673 178.593 176.117 -0.329 0.000 1.102 416 I CA 1.452 62.579 61.300 -0.287 0.000 1.385 416 I CB -0.173 37.553 38.000 -0.458 0.000 1.064 416 I HN 0.075 nan 8.210 nan 0.000 0.414 417 E N 1.447 121.455 120.200 -0.319 0.000 2.077 417 E HA -0.195 4.156 4.350 0.001 0.000 0.193 417 E C 2.129 178.717 176.600 -0.020 0.000 0.989 417 E CA 1.446 57.796 56.400 -0.083 0.000 0.800 417 E CB -0.240 29.512 29.700 0.085 0.000 0.746 417 E HN 0.397 nan 8.360 nan 0.000 0.452 418 L N -0.221 120.989 121.223 -0.022 0.000 2.056 418 L HA -0.090 4.251 4.340 0.001 0.000 0.207 418 L C 2.520 179.407 176.870 0.029 0.000 1.078 418 L CA 1.099 55.948 54.840 0.015 0.000 0.749 418 L CB -0.571 41.509 42.059 0.034 0.000 0.901 418 L HN 0.227 nan 8.230 nan 0.000 0.433 419 A N 0.246 123.069 122.820 0.005 0.000 1.908 419 A HA -0.207 4.114 4.320 0.001 0.000 0.218 419 A C 2.214 179.813 177.584 0.025 0.000 1.181 419 A CA 1.695 53.743 52.037 0.019 0.000 0.627 419 A CB -0.693 18.297 19.000 -0.017 0.000 0.818 419 A HN 0.370 nan 8.150 nan 0.000 0.445 420 I N -1.126 119.447 120.570 0.006 0.000 2.163 420 I HA -0.238 3.933 4.170 0.001 0.000 0.240 420 I C 2.789 178.936 176.117 0.049 0.000 1.081 420 I CA 1.320 62.637 61.300 0.028 0.000 1.353 420 I CB -0.358 37.665 38.000 0.039 0.000 1.054 420 I HN 0.277 nan 8.210 nan 0.000 0.407 421 R N 0.558 121.087 120.500 0.048 0.000 2.092 421 R HA -0.078 4.263 4.340 0.001 0.000 0.231 421 R C 2.280 178.630 176.300 0.084 0.000 1.119 421 R CA 1.126 57.259 56.100 0.055 0.000 0.970 421 R CB -0.332 29.987 30.300 0.032 0.000 0.864 421 R HN 0.372 nan 8.270 nan 0.000 0.440 422 L N 0.260 121.536 121.223 0.087 0.000 2.217 422 L HA -0.140 4.201 4.340 0.001 0.000 0.211 422 L C 1.799 178.756 176.870 0.146 0.000 1.107 422 L CA 1.007 55.931 54.840 0.141 0.000 0.783 422 L CB -0.302 41.830 42.059 0.122 0.000 0.919 422 L HN 0.118 nan 8.230 nan 0.000 0.442 423 D N -0.307 120.152 120.400 0.098 0.000 2.144 423 D HA -0.170 4.471 4.640 0.001 0.000 0.200 423 D C 2.140 178.480 176.300 0.066 0.000 0.978 423 D CA 0.839 54.883 54.000 0.073 0.000 0.833 423 D CB 0.299 41.132 40.800 0.054 0.000 0.961 423 D HN 0.125 nan 8.370 nan 0.000 0.470 424 E N -0.585 119.665 120.200 0.082 0.000 2.107 424 E HA -0.159 4.192 4.350 0.001 0.000 0.191 424 E C 1.819 178.484 176.600 0.108 0.000 0.982 424 E CA 0.430 56.876 56.400 0.077 0.000 0.809 424 E CB -0.552 29.193 29.700 0.074 0.000 0.756 424 E HN 0.463 nan 8.360 nan 0.000 0.459 425 Y N 1.856 122.157 120.300 0.001 0.000 2.207 425 Y HA -0.190 4.360 4.550 0.001 0.000 0.287 425 Y C 2.169 178.066 175.900 -0.005 0.000 1.156 425 Y CA 1.164 59.259 58.100 -0.008 0.000 1.182 425 Y CB -0.598 37.849 38.460 -0.022 0.000 0.979 425 Y HN -0.007 nan 8.280 nan 0.000 0.521 426 A N 0.661 123.415 122.820 -0.110 0.000 1.865 426 A HA -0.253 4.068 4.320 0.001 0.000 0.217 426 A C 2.288 179.781 177.584 -0.151 0.000 1.191 426 A CA 2.249 54.175 52.037 -0.185 0.000 0.623 426 A CB -0.673 18.297 19.000 -0.049 0.000 0.826 426 A HN 0.527 nan 8.150 nan 0.000 0.444 427 K N -0.544 119.816 120.400 -0.068 0.000 2.103 427 K HA -0.213 4.108 4.320 0.001 0.000 0.207 427 K C 2.259 178.822 176.600 -0.062 0.000 1.048 427 K CA 1.732 57.991 56.287 -0.046 0.000 0.930 427 K CB -0.225 32.269 32.500 -0.011 0.000 0.716 427 K HN 0.641 nan 8.250 nan 0.000 0.444 428 Q N 0.145 119.902 119.800 -0.073 0.000 2.167 428 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 428 Q C 2.035 177.965 176.000 -0.117 0.000 0.970 428 Q CA 1.056 56.824 55.803 -0.059 0.000 0.855 428 Q CB 0.168 28.912 28.738 0.010 0.000 0.911 428 Q HN 0.122 nan 8.270 nan 0.000 0.438 429 V N -0.430 119.344 119.914 -0.233 0.000 2.599 429 V HA 0.051 4.172 4.120 0.001 0.000 0.245 429 V C 1.157 177.172 176.094 -0.132 0.000 1.046 429 V CA 0.924 63.088 62.300 -0.227 0.000 1.065 429 V CB -0.687 30.901 31.823 -0.391 0.000 0.703 429 V HN 0.596 nan 8.190 nan 0.000 0.464 430 G N -0.249 108.482 108.800 -0.114 0.000 2.801 430 G HA2 0.244 4.205 3.960 0.001 0.000 0.244 430 G HA3 0.244 4.205 3.960 0.001 0.000 0.244 430 G C 0.580 175.445 174.900 -0.057 0.000 1.385 430 G CA -0.296 44.763 45.100 -0.068 0.000 0.894 430 G HN 1.764 nan 8.290 nan 0.000 0.562 431 G N -1.377 107.400 108.800 -0.037 0.000 2.645 431 G HA2 -0.098 3.863 3.960 0.001 0.000 0.239 431 G HA3 -0.098 3.863 3.960 0.001 0.000 0.239 431 G C 0.797 175.684 174.900 -0.022 0.000 1.331 431 G CA 0.908 45.991 45.100 -0.028 0.000 0.890 431 G HN 1.387 nan 8.290 nan 0.000 0.572 432 K N 0.398 120.788 120.400 -0.016 0.000 2.217 432 K HA 0.007 4.328 4.320 0.001 0.000 0.202 432 K C 2.359 178.955 176.600 -0.008 0.000 1.051 432 K CA 1.611 57.894 56.287 -0.008 0.000 0.952 432 K CB -0.072 32.426 32.500 -0.003 0.000 0.736 432 K HN 0.622 nan 8.250 nan 0.000 0.453 433 E N 0.670 120.859 120.200 -0.018 0.000 2.150 433 E HA -0.158 4.193 4.350 0.001 0.000 0.193 433 E C 1.950 178.537 176.600 -0.022 0.000 0.985 433 E CA 0.901 57.290 56.400 -0.018 0.000 0.814 433 E CB -0.058 29.621 29.700 -0.035 0.000 0.752 433 E HN 0.311 nan 8.360 nan 0.000 0.466 434 A N 0.939 123.735 122.820 -0.041 0.000 1.969 434 A HA -0.145 4.176 4.320 0.001 0.000 0.218 434 A C 2.033 179.619 177.584 0.003 0.000 1.169 434 A CA 0.850 52.858 52.037 -0.048 0.000 0.635 434 A CB -0.271 18.696 19.000 -0.056 0.000 0.810 434 A HN 0.098 nan 8.150 nan 0.000 0.445 435 L N -0.406 120.826 121.223 0.015 0.000 2.046 435 L HA -0.128 4.212 4.340 0.001 0.000 0.208 435 L C 2.938 179.859 176.870 0.085 0.000 1.077 435 L CA 1.949 56.812 54.840 0.038 0.000 0.747 435 L CB -1.225 40.848 42.059 0.024 0.000 0.896 435 L HN 0.408 nan 8.230 nan 0.000 0.432 436 A N -0.820 122.057 122.820 0.096 0.000 1.929 436 A HA -0.123 4.198 4.320 0.001 0.000 0.216 436 A C 2.314 180.107 177.584 0.348 0.000 1.176 436 A CA 1.398 53.558 52.037 0.205 0.000 0.628 436 A CB -0.586 18.480 19.000 0.110 0.000 0.816 436 A HN 0.372 nan 8.150 nan 0.000 0.444 437 I N -0.195 120.491 120.570 0.193 0.000 2.226 437 I HA -0.259 3.911 4.170 0.001 0.000 0.245 437 I C 2.424 178.645 176.117 0.173 0.000 1.100 437 I CA 1.551 62.943 61.300 0.153 0.000 1.374 437 I CB -0.452 37.557 38.000 0.014 0.000 1.057 437 I HN 0.425 nan 8.210 nan 0.000 0.413 438 E N 0.723 120.998 120.200 0.125 0.000 2.110 438 E HA -0.213 4.138 4.350 0.001 0.000 0.193 438 E C 1.778 178.459 176.600 0.136 0.000 0.988 438 E CA 1.218 57.682 56.400 0.106 0.000 0.804 438 E CB -0.205 29.536 29.700 0.068 0.000 0.745 438 E HN 0.454 nan 8.360 nan 0.000 0.458 439 N N 0.303 119.113 118.700 0.183 0.000 2.270 439 N HA -0.104 4.636 4.740 0.001 0.000 0.181 439 N C 1.361 176.975 175.510 0.172 0.000 1.016 439 N CA 0.597 53.759 53.050 0.188 0.000 0.870 439 N CB -0.237 38.395 38.487 0.242 0.000 0.979 439 N HN 0.130 nan 8.380 nan 0.000 0.431 440 F N 1.140 121.103 119.950 0.021 0.000 2.146 440 F HA -0.078 4.450 4.527 0.001 0.000 0.298 440 F C 2.112 177.835 175.800 -0.128 0.000 1.096 440 F CA 1.204 59.060 58.000 -0.240 0.000 1.275 440 F CB -0.146 38.665 39.000 -0.316 0.000 1.008 440 F HN 0.037 nan 8.300 nan 0.000 0.480 441 A N -0.137 122.851 122.820 0.280 0.000 1.877 441 A HA -0.279 4.041 4.320 0.001 0.000 0.216 441 A C 1.830 179.441 177.584 0.045 0.000 1.186 441 A CA 2.133 54.274 52.037 0.173 0.000 0.620 441 A CB -1.313 17.769 19.000 0.137 0.000 0.822 441 A HN 0.541 nan 8.150 nan 0.000 0.443 442 D N -0.477 119.943 120.400 0.034 0.000 2.178 442 D HA -0.025 4.615 4.640 0.001 0.000 0.201 442 D C 1.939 178.210 176.300 -0.047 0.000 0.980 442 D CA 1.410 55.410 54.000 -0.001 0.000 0.842 442 D CB -0.137 40.673 40.800 0.017 0.000 0.948 442 D HN 0.364 nan 8.370 nan 0.000 0.472 443 A N 0.157 122.921 122.820 -0.095 0.000 1.933 443 A HA -0.085 4.236 4.320 0.001 0.000 0.218 443 A C 2.262 179.737 177.584 -0.182 0.000 1.175 443 A CA 0.849 52.788 52.037 -0.164 0.000 0.628 443 A CB -0.793 18.032 19.000 -0.292 0.000 0.814 443 A HN 0.387 nan 8.150 nan 0.000 0.444 444 L N -0.818 120.294 121.223 -0.184 0.000 2.353 444 L HA -0.164 4.176 4.340 0.001 0.000 0.220 444 L C 2.051 178.864 176.870 -0.096 0.000 1.133 444 L CA 1.182 55.936 54.840 -0.144 0.000 0.798 444 L CB -0.429 41.580 42.059 -0.084 0.000 0.922 444 L HN 0.392 nan 8.230 nan 0.000 0.445 445 K N 0.256 120.608 120.400 -0.080 0.000 2.504 445 K HA -0.090 4.230 4.320 0.001 0.000 0.195 445 K C 1.795 178.357 176.600 -0.064 0.000 1.036 445 K CA 0.723 56.970 56.287 -0.066 0.000 0.984 445 K CB -0.093 32.376 32.500 -0.051 0.000 0.788 445 K HN 0.302 nan 8.250 nan 0.000 0.488 446 I N -0.049 120.478 120.570 -0.073 0.000 2.454 446 I HA -0.245 3.926 4.170 0.001 0.000 0.254 446 I C 1.752 177.832 176.117 -0.062 0.000 1.156 446 I CA 1.113 62.374 61.300 -0.065 0.000 1.433 446 I CB -0.555 37.403 38.000 -0.070 0.000 1.082 446 I HN -0.015 nan 8.210 nan 0.000 0.432 447 I N 1.396 121.926 120.570 -0.066 0.000 2.090 447 I HA -0.142 4.029 4.170 0.001 0.000 0.236 447 I C 0.198 176.281 176.117 -0.056 0.000 1.064 447 I CA 1.790 63.054 61.300 -0.059 0.000 1.324 447 I CB -2.853 35.112 38.000 -0.058 0.000 1.044 447 I HN 0.195 nan 8.210 nan 0.000 0.399 448 P HA -0.180 nan 4.420 nan 0.000 0.216 448 P C 1.780 179.050 177.300 -0.049 0.000 1.150 448 P CA 1.634 64.703 63.100 -0.052 0.000 0.837 448 P CB -0.065 31.603 31.700 -0.053 0.000 0.786 449 K N -0.388 119.983 120.400 -0.048 0.000 2.002 449 K HA -0.154 4.166 4.320 0.001 0.000 0.209 449 K C 2.156 178.729 176.600 -0.045 0.000 1.048 449 K CA 2.326 58.587 56.287 -0.043 0.000 0.930 449 K CB -0.810 31.664 32.500 -0.042 0.000 0.714 449 K HN 0.131 nan 8.250 nan 0.000 0.438 450 T N -0.369 114.156 114.554 -0.048 0.000 3.023 450 T HA -0.020 4.331 4.350 0.001 0.000 0.266 450 T C 1.968 176.635 174.700 -0.056 0.000 1.093 450 T CA 0.640 62.711 62.100 -0.048 0.000 1.129 450 T CB -0.172 68.667 68.868 -0.047 0.000 0.899 450 T HN 0.224 nan 8.240 nan 0.000 0.491 451 L N 0.719 121.905 121.223 -0.061 0.000 2.042 451 L HA -0.005 4.336 4.340 0.001 0.000 0.210 451 L C 3.304 180.124 176.870 -0.083 0.000 1.076 451 L CA 1.531 56.325 54.840 -0.077 0.000 0.749 451 L CB -0.723 41.290 42.059 -0.077 0.000 0.893 451 L HN 0.438 nan 8.230 nan 0.000 0.432 452 A N -0.572 122.208 122.820 -0.067 0.000 1.897 452 A HA -0.231 4.090 4.320 0.001 0.000 0.215 452 A C 2.228 179.780 177.584 -0.053 0.000 1.181 452 A CA 1.553 53.554 52.037 -0.061 0.000 0.620 452 A CB -0.472 18.501 19.000 -0.045 0.000 0.821 452 A HN 0.446 nan 8.150 nan 0.000 0.443 453 E N 0.152 120.324 120.200 -0.047 0.000 2.058 453 E HA -0.246 4.105 4.350 0.001 0.000 0.194 453 E C 1.493 178.068 176.600 -0.042 0.000 0.997 453 E CA 1.501 57.877 56.400 -0.040 0.000 0.801 453 E CB -0.152 29.526 29.700 -0.037 0.000 0.746 453 E HN 0.539 nan 8.360 nan 0.000 0.450 454 N N 0.031 118.701 118.700 -0.050 0.000 2.381 454 N HA -0.105 4.636 4.740 0.001 0.000 0.182 454 N C 1.126 176.603 175.510 -0.055 0.000 1.025 454 N CA 1.061 54.081 53.050 -0.050 0.000 0.888 454 N CB -0.111 38.343 38.487 -0.056 0.000 0.965 454 N HN 0.219 nan 8.380 nan 0.000 0.438 455 A N -0.394 122.386 122.820 -0.067 0.000 2.218 455 A HA 0.427 4.748 4.320 0.001 0.000 0.209 455 A C 1.515 179.075 177.584 -0.040 0.000 1.168 455 A CA 0.706 52.702 52.037 -0.069 0.000 0.804 455 A CB -0.227 18.711 19.000 -0.103 0.000 0.834 455 A HN 0.266 nan 8.150 nan 0.000 0.482 456 G N -1.045 107.735 108.800 -0.033 0.000 2.143 456 G HA2 -0.217 3.744 3.960 0.001 0.000 0.249 456 G HA3 -0.217 3.744 3.960 0.001 0.000 0.249 456 G C 0.147 175.036 174.900 -0.019 0.000 0.981 456 G CA 0.402 45.489 45.100 -0.021 0.000 0.665 456 G HN 0.436 nan 8.290 nan 0.000 0.528 457 L N 0.106 121.314 121.223 -0.025 0.000 2.468 457 L HA 0.449 4.790 4.340 0.001 0.000 0.254 457 L C 0.653 177.513 176.870 -0.018 0.000 1.171 457 L CA -0.737 54.090 54.840 -0.020 0.000 0.809 457 L CB 0.420 42.464 42.059 -0.025 0.000 1.155 457 L HN 0.110 nan 8.230 nan 0.000 0.473 458 D N 0.207 120.599 120.400 -0.014 0.000 2.402 458 D HA 0.038 4.679 4.640 0.001 0.000 0.235 458 D C 0.953 177.244 176.300 -0.014 0.000 1.226 458 D CA -0.037 53.956 54.000 -0.012 0.000 0.918 458 D CB 1.119 41.914 40.800 -0.008 0.000 1.043 458 D HN 0.466 nan 8.370 nan 0.000 0.506 459 T N 2.672 117.215 114.554 -0.018 0.000 2.592 459 T HA -0.190 4.161 4.350 0.001 0.000 0.267 459 T C 1.992 176.682 174.700 -0.016 0.000 1.060 459 T CA 1.800 63.888 62.100 -0.020 0.000 1.167 459 T CB -0.110 68.745 68.868 -0.022 0.000 0.863 459 T HN 0.351 nan 8.240 nan 0.000 0.431 460 V N 1.313 121.219 119.914 -0.013 0.000 2.324 460 V HA -0.214 3.907 4.120 0.001 0.000 0.250 460 V C 2.465 178.555 176.094 -0.008 0.000 1.060 460 V CA 1.947 64.241 62.300 -0.010 0.000 1.042 460 V CB -0.633 31.186 31.823 -0.008 0.000 0.650 460 V HN 0.586 nan 8.190 nan 0.000 0.450 461 E N -0.794 119.402 120.200 -0.007 0.000 2.047 461 E HA -0.186 4.165 4.350 0.001 0.000 0.191 461 E C 2.330 178.928 176.600 -0.004 0.000 0.987 461 E CA 1.220 57.618 56.400 -0.004 0.000 0.799 461 E CB -0.228 29.470 29.700 -0.003 0.000 0.752 461 E HN 0.361 nan 8.360 nan 0.000 0.449 462 M N 0.656 120.251 119.600 -0.007 0.000 2.108 462 M HA -0.160 4.321 4.480 0.001 0.000 0.261 462 M C 2.302 178.597 176.300 -0.007 0.000 1.066 462 M CA 1.154 56.450 55.300 -0.008 0.000 1.107 462 M CB -0.744 31.847 32.600 -0.015 0.000 1.356 462 M HN 0.154 nan 8.290 nan 0.000 0.406 463 L N -0.716 120.500 121.223 -0.011 0.000 2.017 463 L HA -0.158 4.183 4.340 0.001 0.000 0.208 463 L C 2.592 179.460 176.870 -0.004 0.000 1.073 463 L CA 1.335 56.168 54.840 -0.012 0.000 0.745 463 L CB -1.442 40.607 42.059 -0.017 0.000 0.894 463 L HN 0.114 nan 8.230 nan 0.000 0.432 464 V N 0.112 120.025 119.914 -0.001 0.000 2.282 464 V HA -0.330 3.790 4.120 0.001 0.000 0.249 464 V C 2.568 178.669 176.094 0.011 0.000 1.057 464 V CA 1.791 64.094 62.300 0.005 0.000 1.032 464 V CB -0.548 31.277 31.823 0.004 0.000 0.645 464 V HN 0.450 nan 8.190 nan 0.000 0.447 465 K N -0.391 120.015 120.400 0.011 0.000 2.057 465 K HA -0.112 4.208 4.320 0.001 0.000 0.206 465 K C 2.012 178.628 176.600 0.026 0.000 1.050 465 K CA 1.445 57.742 56.287 0.016 0.000 0.935 465 K CB -0.350 32.157 32.500 0.012 0.000 0.715 465 K HN 0.377 nan 8.250 nan 0.000 0.439 466 V N 1.655 121.583 119.914 0.024 0.000 2.379 466 V HA -0.200 3.921 4.120 0.001 0.000 0.245 466 V C 2.153 178.288 176.094 0.068 0.000 1.044 466 V CA 1.457 63.782 62.300 0.042 0.000 1.036 466 V CB -0.421 31.415 31.823 0.023 0.000 0.664 466 V HN 0.262 nan 8.190 nan 0.000 0.453 467 I N 0.017 120.609 120.570 0.038 0.000 2.286 467 I HA -0.225 3.946 4.170 0.001 0.000 0.248 467 I C 2.720 178.885 176.117 0.081 0.000 1.115 467 I CA 1.710 63.037 61.300 0.044 0.000 1.392 467 I CB -0.379 37.627 38.000 0.011 0.000 1.065 467 I HN 0.315 nan 8.210 nan 0.000 0.418 468 S N 0.362 116.095 115.700 0.055 0.000 2.345 468 S HA -0.185 4.286 4.470 0.001 0.000 0.220 468 S C 2.034 176.667 174.600 0.055 0.000 1.031 468 S CA 1.311 59.540 58.200 0.048 0.000 0.996 468 S CB -0.138 63.080 63.200 0.030 0.000 0.882 468 S HN 0.318 nan 8.310 nan 0.000 0.445 469 E N 0.234 120.466 120.200 0.054 0.000 2.118 469 E HA -0.179 4.171 4.350 0.001 0.000 0.195 469 E C 1.869 178.496 176.600 0.045 0.000 0.992 469 E CA 1.318 57.743 56.400 0.041 0.000 0.804 469 E CB -0.621 29.102 29.700 0.038 0.000 0.741 469 E HN 0.747 nan 8.360 nan 0.000 0.458 470 H N 0.762 119.835 119.070 0.004 0.000 2.387 470 H HA -0.011 4.546 4.556 0.001 0.000 0.299 470 H C 1.914 177.246 175.328 0.006 0.000 1.090 470 H CA 1.723 57.774 56.048 0.005 0.000 1.332 470 H CB 0.297 30.061 29.762 0.005 0.000 1.386 470 H HN -0.026 nan 8.280 nan 0.000 0.516 471 K N -0.417 120.051 120.400 0.113 0.000 2.155 471 K HA -0.071 4.250 4.320 0.001 0.000 0.203 471 K C 1.695 178.299 176.600 0.006 0.000 1.052 471 K CA 1.066 57.392 56.287 0.065 0.000 0.948 471 K CB 0.199 32.740 32.500 0.068 0.000 0.728 471 K HN 0.386 nan 8.250 nan 0.000 0.448 472 N N 0.689 119.387 118.700 -0.003 0.000 2.220 472 N HA -0.050 4.690 4.740 0.001 0.000 0.182 472 N C 1.501 176.987 175.510 -0.040 0.000 1.023 472 N CA 1.084 54.125 53.050 -0.014 0.000 0.856 472 N CB 0.041 38.526 38.487 -0.005 0.000 0.997 472 N HN 0.132 nan 8.380 nan 0.000 0.429 473 R N 0.225 120.686 120.500 -0.065 0.000 2.290 473 R HA 0.271 4.611 4.340 0.001 0.000 0.197 473 R C 0.884 177.096 176.300 -0.147 0.000 0.913 473 R CA 0.400 56.450 56.100 -0.084 0.000 1.040 473 R CB 0.497 30.759 30.300 -0.063 0.000 0.992 473 R HN 0.199 nan 8.270 nan 0.000 0.500 474 G N 0.752 109.399 108.800 -0.254 0.000 2.526 474 G HA2 -0.270 3.691 3.960 0.001 0.000 0.250 474 G HA3 -0.270 3.691 3.960 0.001 0.000 0.250 474 G C 0.244 174.763 174.900 -0.635 0.000 1.289 474 G CA -0.278 44.615 45.100 -0.345 0.000 0.947 474 G HN 0.096 nan 8.290 nan 0.000 0.517 475 L N 0.922 121.963 121.223 -0.304 0.000 2.034 475 L HA 0.058 4.399 4.340 0.001 0.000 0.217 475 L C 2.722 179.589 176.870 -0.005 0.000 1.077 475 L CA 3.822 58.602 54.840 -0.100 0.000 0.769 475 L CB -0.867 41.190 42.059 -0.003 0.000 0.890 475 L HN 1.522 nan 8.230 nan 0.000 0.435 476 G N -0.542 108.226 108.800 -0.053 0.000 2.848 476 G HA2 0.065 4.025 3.960 0.001 0.000 0.208 476 G HA3 0.065 4.025 3.960 0.001 0.000 0.208 476 G C 0.674 175.596 174.900 0.036 0.000 1.152 476 G CA -0.207 44.899 45.100 0.010 0.000 0.789 476 G HN 0.271 nan 8.290 nan 0.000 0.531 477 I N 2.148 122.727 120.570 0.015 0.000 2.421 477 I HA 0.360 4.530 4.170 0.001 0.000 0.291 477 I C 0.949 177.203 176.117 0.229 0.000 1.089 477 I CA -0.353 61.008 61.300 0.102 0.000 1.354 477 I CB 0.099 38.124 38.000 0.043 0.000 1.413 477 I HN 0.010 nan 8.210 nan 0.000 0.513 478 G N 6.791 115.658 108.800 0.112 0.000 3.176 478 G HA2 0.722 4.683 3.960 0.001 0.000 0.272 478 G HA3 0.722 4.683 3.960 0.001 0.000 0.272 478 G C -0.718 174.204 174.900 0.037 0.000 1.349 478 G CA -0.704 44.439 45.100 0.071 0.000 0.953 478 G HN 0.379 nan 8.290 nan 0.000 0.559 479 I N 1.171 121.745 120.570 0.008 0.000 2.315 479 I HA 0.192 4.363 4.170 0.001 0.000 0.291 479 I C -0.810 175.295 176.117 -0.021 0.000 1.006 479 I CA -0.483 60.811 61.300 -0.009 0.000 1.265 479 I CB 1.751 39.733 38.000 -0.029 0.000 1.387 479 I HN 0.293 nan 8.210 nan 0.000 0.475 480 D N 6.858 127.254 120.400 -0.006 0.000 2.468 480 D HA 0.077 4.717 4.640 0.001 0.000 0.218 480 D C 1.073 177.348 176.300 -0.042 0.000 1.155 480 D CA -0.422 53.581 54.000 0.004 0.000 0.924 480 D CB 1.291 42.122 40.800 0.051 0.000 1.029 480 D HN 0.401 nan 8.370 nan 0.000 0.515 481 V N 1.915 121.731 119.914 -0.162 0.000 3.078 481 V HA -0.084 4.037 4.120 0.001 0.000 0.265 481 V C 1.417 177.365 176.094 -0.243 0.000 1.122 481 V CA 0.920 63.075 62.300 -0.241 0.000 1.141 481 V CB -1.061 30.545 31.823 -0.361 0.000 0.735 481 V HN 0.239 nan 8.190 nan 0.000 0.498 482 F N 1.135 121.083 119.950 -0.003 0.000 2.188 482 F HA 0.237 4.765 4.527 0.001 0.000 0.289 482 F C 2.410 178.208 175.800 -0.003 0.000 1.082 482 F CA 1.488 59.485 58.000 -0.004 0.000 1.282 482 F CB -0.654 38.343 39.000 -0.005 0.000 1.060 482 F HN 0.202 nan 8.300 nan 0.000 0.493 483 E N 0.239 120.558 120.200 0.199 0.000 2.427 483 E HA 0.109 4.460 4.350 0.001 0.000 0.196 483 E C 1.274 177.911 176.600 0.063 0.000 1.028 483 E CA 0.673 57.137 56.400 0.107 0.000 0.864 483 E CB -0.435 29.316 29.700 0.084 0.000 0.813 483 E HN 0.344 nan 8.360 nan 0.000 0.514 484 G N 1.237 110.064 108.800 0.045 0.000 2.314 484 G HA2 -0.330 3.630 3.960 0.001 0.000 0.292 484 G HA3 -0.330 3.630 3.960 0.001 0.000 0.292 484 G C -0.282 174.626 174.900 0.013 0.000 1.059 484 G CA 0.933 46.043 45.100 0.016 0.000 0.982 484 G HN 0.476 nan 8.290 nan 0.000 0.505 485 K N -2.449 117.959 120.400 0.015 0.000 2.711 485 K HA 0.600 4.921 4.320 0.001 0.000 0.294 485 K C -3.499 173.111 176.600 0.018 0.000 1.037 485 K CA -2.073 54.223 56.287 0.015 0.000 0.858 485 K CB 0.859 33.370 32.500 0.019 0.000 1.521 485 K HN -0.060 nan 8.250 nan 0.000 0.386 486 P HA 0.254 nan 4.420 nan 0.000 0.269 486 P C -1.263 176.054 177.300 0.029 0.000 1.215 486 P CA -0.083 63.033 63.100 0.027 0.000 0.780 486 P CB 0.915 32.634 31.700 0.031 0.000 0.898 487 A N 0.971 123.811 122.820 0.033 0.000 2.608 487 A HA 0.377 4.697 4.320 0.001 0.000 0.292 487 A C -1.409 176.193 177.584 0.030 0.000 1.066 487 A CA -0.515 51.540 52.037 0.030 0.000 0.676 487 A CB 0.915 19.937 19.000 0.036 0.000 1.277 487 A HN 0.457 nan 8.150 nan 0.000 0.413 488 D N 2.467 122.880 120.400 0.021 0.000 2.374 488 D HA 0.202 4.842 4.640 0.001 0.000 0.240 488 D C 1.005 177.320 176.300 0.024 0.000 1.229 488 D CA -0.399 53.611 54.000 0.016 0.000 0.895 488 D CB 0.504 41.306 40.800 0.004 0.000 1.046 488 D HN 0.392 nan 8.370 nan 0.000 0.498 489 M N 3.256 122.875 119.600 0.031 0.000 2.202 489 M HA -0.174 4.306 4.480 0.001 0.000 0.262 489 M C 1.609 177.926 176.300 0.028 0.000 1.063 489 M CA 0.694 56.014 55.300 0.034 0.000 1.097 489 M CB -0.509 32.113 32.600 0.038 0.000 1.382 489 M HN 0.403 nan 8.290 nan 0.000 0.413 490 L N 0.384 121.620 121.223 0.022 0.000 2.027 490 L HA -0.132 4.208 4.340 0.001 0.000 0.206 490 L C 2.330 179.209 176.870 0.015 0.000 1.074 490 L CA 1.749 56.599 54.840 0.017 0.000 0.745 490 L CB -1.180 40.885 42.059 0.011 0.000 0.898 490 L HN 0.353 nan 8.230 nan 0.000 0.433 491 E N -0.722 119.485 120.200 0.013 0.000 2.110 491 E HA -0.188 4.162 4.350 0.001 0.000 0.193 491 E C 1.803 178.413 176.600 0.016 0.000 0.988 491 E CA 0.740 57.147 56.400 0.012 0.000 0.804 491 E CB 0.048 29.753 29.700 0.009 0.000 0.745 491 E HN 0.303 nan 8.360 nan 0.000 0.458 492 K N -0.568 119.845 120.400 0.023 0.000 2.432 492 K HA 0.006 4.327 4.320 0.001 0.000 0.196 492 K C 1.270 177.888 176.600 0.029 0.000 1.038 492 K CA 0.821 57.126 56.287 0.029 0.000 0.986 492 K CB 0.446 32.971 32.500 0.042 0.000 0.782 492 K HN 0.301 nan 8.250 nan 0.000 0.485 493 G N 1.928 110.743 108.800 0.025 0.000 2.148 493 G HA2 -0.259 3.701 3.960 0.001 0.000 0.254 493 G HA3 -0.259 3.701 3.960 0.001 0.000 0.254 493 G C 0.180 175.098 174.900 0.029 0.000 0.981 493 G CA 0.003 45.117 45.100 0.023 0.000 0.670 493 G HN 0.326 nan 8.290 nan 0.000 0.528 494 I N 2.149 122.740 120.570 0.035 0.000 2.260 494 I HA 0.416 4.587 4.170 0.001 0.000 0.297 494 I C 0.990 177.125 176.117 0.030 0.000 1.143 494 I CA -0.395 60.928 61.300 0.038 0.000 1.271 494 I CB -0.137 37.892 38.000 0.048 0.000 1.461 494 I HN 0.329 nan 8.210 nan 0.000 0.530 495 I N 3.327 123.913 120.570 0.026 0.000 3.108 495 I HA 0.748 4.919 4.170 0.001 0.000 0.312 495 I C -0.794 175.335 176.117 0.019 0.000 1.095 495 I CA -0.752 60.561 61.300 0.022 0.000 1.000 495 I CB 2.353 40.365 38.000 0.020 0.000 1.229 495 I HN 0.410 nan 8.210 nan 0.000 0.454 496 E N 1.559 121.769 120.200 0.017 0.000 2.408 496 E HA 0.604 4.954 4.350 0.001 0.000 0.275 496 E C -3.079 173.530 176.600 0.014 0.000 0.935 496 E CA -2.323 54.086 56.400 0.014 0.000 0.775 496 E CB 1.990 31.697 29.700 0.011 0.000 1.277 496 E HN 0.268 nan 8.360 nan 0.000 0.455 497 P HA -0.014 nan 4.420 nan 0.000 0.269 497 P C 0.612 177.920 177.300 0.013 0.000 1.209 497 P CA -0.288 62.820 63.100 0.014 0.000 0.776 497 P CB 0.670 32.379 31.700 0.013 0.000 0.876 498 L N 3.088 124.319 121.223 0.014 0.000 2.083 498 L HA -0.183 4.158 4.340 0.001 0.000 0.209 498 L C 2.288 179.165 176.870 0.013 0.000 1.083 498 L CA 1.647 56.495 54.840 0.014 0.000 0.752 498 L CB -0.258 41.809 42.059 0.014 0.000 0.899 498 L HN 0.442 nan 8.230 nan 0.000 0.433 499 R N -0.692 119.816 120.500 0.014 0.000 2.127 499 R HA -0.163 4.177 4.340 0.001 0.000 0.238 499 R C 2.066 178.373 176.300 0.012 0.000 1.134 499 R CA 1.601 57.709 56.100 0.014 0.000 0.975 499 R CB -0.138 30.171 30.300 0.015 0.000 0.865 499 R HN 0.291 nan 8.270 nan 0.000 0.447 500 V N 1.387 121.307 119.914 0.011 0.000 2.233 500 V HA -0.285 3.835 4.120 0.001 0.000 0.247 500 V C 2.389 178.487 176.094 0.007 0.000 1.050 500 V CA 1.790 64.094 62.300 0.008 0.000 1.010 500 V CB -0.428 31.399 31.823 0.006 0.000 0.637 500 V HN 0.273 nan 8.190 nan 0.000 0.444 501 K N 0.228 120.633 120.400 0.007 0.000 2.063 501 K HA -0.171 4.149 4.320 0.001 0.000 0.208 501 K C 2.136 178.744 176.600 0.013 0.000 1.048 501 K CA 1.464 57.756 56.287 0.008 0.000 0.928 501 K CB -0.422 32.083 32.500 0.009 0.000 0.713 501 K HN 0.470 nan 8.250 nan 0.000 0.442 502 K N 0.501 120.909 120.400 0.014 0.000 2.026 502 K HA -0.208 4.112 4.320 0.001 0.000 0.208 502 K C 2.285 178.896 176.600 0.018 0.000 1.048 502 K CA 1.511 57.807 56.287 0.016 0.000 0.929 502 K CB -0.079 32.428 32.500 0.012 0.000 0.713 502 K HN 0.002 nan 8.250 nan 0.000 0.439 503 Q N 0.723 120.532 119.800 0.016 0.000 2.123 503 Q HA -0.033 4.307 4.340 0.001 0.000 0.199 503 Q C 1.808 177.817 176.000 0.016 0.000 0.966 503 Q CA 1.599 57.412 55.803 0.016 0.000 0.845 503 Q CB -0.194 28.552 28.738 0.014 0.000 0.907 503 Q HN 0.300 nan 8.270 nan 0.000 0.439 504 A N 0.662 123.488 122.820 0.011 0.000 1.865 504 A HA -0.183 4.138 4.320 0.001 0.000 0.217 504 A C 1.929 179.518 177.584 0.009 0.000 1.191 504 A CA 1.730 53.769 52.037 0.003 0.000 0.623 504 A CB -0.788 18.208 19.000 -0.006 0.000 0.826 504 A HN 0.461 nan 8.150 nan 0.000 0.444 505 I N -0.258 120.327 120.570 0.025 0.000 2.315 505 I HA -0.191 3.980 4.170 0.001 0.000 0.248 505 I C 2.259 178.421 176.117 0.075 0.000 1.117 505 I CA 1.496 62.832 61.300 0.060 0.000 1.404 505 I CB -1.295 36.765 38.000 0.100 0.000 1.071 505 I HN 0.379 nan 8.210 nan 0.000 0.419 506 K N 0.706 121.139 120.400 0.054 0.000 2.009 506 K HA -0.131 4.190 4.320 0.001 0.000 0.210 506 K C 2.369 178.998 176.600 0.049 0.000 1.049 506 K CA 1.810 58.128 56.287 0.051 0.000 0.929 506 K CB -0.184 32.336 32.500 0.035 0.000 0.714 506 K HN 0.130 nan 8.250 nan 0.000 0.440 507 S N 0.555 116.276 115.700 0.034 0.000 2.368 507 S HA -0.115 4.355 4.470 0.001 0.000 0.224 507 S C 2.058 176.675 174.600 0.028 0.000 1.029 507 S CA 1.191 59.408 58.200 0.028 0.000 0.988 507 S CB -0.157 63.054 63.200 0.018 0.000 0.838 507 S HN 0.435 nan 8.310 nan 0.000 0.462 508 A N 1.106 123.936 122.820 0.017 0.000 1.930 508 A HA -0.026 4.294 4.320 0.001 0.000 0.217 508 A C 2.302 179.899 177.584 0.023 0.000 1.175 508 A CA 1.704 53.740 52.037 -0.002 0.000 0.627 508 A CB -0.725 18.247 19.000 -0.048 0.000 0.815 508 A HN 0.447 nan 8.150 nan 0.000 0.443 509 S N 0.000 115.743 115.700 0.071 0.000 2.355 509 S HA -0.142 4.329 4.470 0.001 0.000 0.222 509 S C 1.816 176.504 174.600 0.147 0.000 1.031 509 S CA 1.423 59.717 58.200 0.156 0.000 0.993 509 S CB -0.329 63.015 63.200 0.240 0.000 0.859 509 S HN 0.701 nan 8.310 nan 0.000 0.453 510 E N 1.412 121.674 120.200 0.104 0.000 2.150 510 E HA -0.059 4.292 4.350 0.001 0.000 0.193 510 E C 2.318 178.965 176.600 0.079 0.000 0.985 510 E CA 0.927 57.380 56.400 0.088 0.000 0.814 510 E CB -0.229 29.509 29.700 0.064 0.000 0.752 510 E HN 0.506 nan 8.360 nan 0.000 0.466 511 A N 1.791 124.651 122.820 0.066 0.000 1.854 511 A HA -0.028 4.292 4.320 0.001 0.000 0.214 511 A C 2.460 180.085 177.584 0.069 0.000 1.192 511 A CA 1.487 53.557 52.037 0.054 0.000 0.611 511 A CB -0.662 18.360 19.000 0.037 0.000 0.832 511 A HN 0.271 nan 8.150 nan 0.000 0.442 512 A N 0.072 122.944 122.820 0.086 0.000 1.892 512 A HA -0.159 4.162 4.320 0.001 0.000 0.218 512 A C 2.122 179.796 177.584 0.149 0.000 1.188 512 A CA 1.724 53.834 52.037 0.122 0.000 0.631 512 A CB -0.699 18.399 19.000 0.163 0.000 0.822 512 A HN 0.510 nan 8.150 nan 0.000 0.447 513 I N -1.027 119.646 120.570 0.172 0.000 2.315 513 I HA -0.267 3.904 4.170 0.001 0.000 0.248 513 I C 2.698 178.866 176.117 0.085 0.000 1.117 513 I CA 1.761 63.148 61.300 0.145 0.000 1.404 513 I CB -0.239 37.856 38.000 0.158 0.000 1.071 513 I HN 0.541 nan 8.210 nan 0.000 0.419 514 M N 0.917 120.562 119.600 0.075 0.000 2.099 514 M HA -0.195 4.286 4.480 0.001 0.000 0.262 514 M C 2.292 178.619 176.300 0.046 0.000 1.067 514 M CA 1.999 57.331 55.300 0.054 0.000 1.124 514 M CB -0.040 32.589 32.600 0.049 0.000 1.353 514 M HN 0.074 nan 8.290 nan 0.000 0.410 515 I N 0.362 120.961 120.570 0.049 0.000 2.226 515 I HA -0.279 3.892 4.170 0.001 0.000 0.245 515 I C 2.042 178.177 176.117 0.030 0.000 1.100 515 I CA 0.691 62.015 61.300 0.040 0.000 1.374 515 I CB -0.432 37.592 38.000 0.040 0.000 1.057 515 I HN 0.328 nan 8.210 nan 0.000 0.413 516 L N 0.567 121.808 121.223 0.031 0.000 2.265 516 L HA -0.133 4.208 4.340 0.001 0.000 0.215 516 L C 2.351 179.221 176.870 -0.001 0.000 1.117 516 L CA 1.632 56.475 54.840 0.004 0.000 0.782 516 L CB -0.857 41.196 42.059 -0.010 0.000 0.914 516 L HN 0.133 nan 8.230 nan 0.000 0.441 517 R N -1.262 119.248 120.500 0.017 0.000 2.275 517 R HA 0.145 4.486 4.340 0.001 0.000 0.199 517 R C 0.376 176.686 176.300 0.016 0.000 0.989 517 R CA -0.017 56.095 56.100 0.019 0.000 1.016 517 R CB 0.078 30.397 30.300 0.032 0.000 0.918 517 R HN 0.236 nan 8.270 nan 0.000 0.473 518 I N 2.520 123.100 120.570 0.018 0.000 2.452 518 I HA -0.036 4.134 4.170 0.001 0.000 0.287 518 I C 0.431 176.558 176.117 0.016 0.000 1.079 518 I CA 0.163 61.476 61.300 0.022 0.000 1.387 518 I CB 0.877 38.895 38.000 0.031 0.000 1.404 518 I HN 0.102 nan 8.210 nan 0.000 0.522 519 D N 3.633 124.043 120.400 0.016 0.000 2.540 519 D HA 0.131 4.771 4.640 0.001 0.000 0.229 519 D C -0.363 175.954 176.300 0.029 0.000 1.250 519 D CA -0.091 53.916 54.000 0.012 0.000 0.817 519 D CB 0.413 41.207 40.800 -0.009 0.000 1.060 519 D HN 0.341 nan 8.370 nan 0.000 0.508 520 D N 0.088 120.512 120.400 0.040 0.000 2.738 520 D HA 0.260 4.901 4.640 0.001 0.000 0.218 520 D C -1.592 174.745 176.300 0.062 0.000 1.345 520 D CA -0.432 53.598 54.000 0.049 0.000 0.943 520 D CB 2.158 42.975 40.800 0.029 0.000 1.514 520 D HN -0.179 nan 8.370 nan 0.000 0.585 521 V N 5.146 125.122 119.914 0.103 0.000 2.378 521 V HA 0.531 4.652 4.120 0.001 0.000 0.288 521 V C 0.120 176.279 176.094 0.108 0.000 1.016 521 V CA -0.551 61.819 62.300 0.117 0.000 0.840 521 V CB 1.531 33.459 31.823 0.175 0.000 0.994 521 V HN 0.479 nan 8.190 nan 0.000 0.431 522 I N 4.605 125.208 120.570 0.054 0.000 2.420 522 I HA 0.713 4.883 4.170 0.001 0.000 0.282 522 I C 0.141 176.270 176.117 0.020 0.000 1.019 522 I CA -0.450 60.864 61.300 0.023 0.000 1.130 522 I CB 1.707 39.710 38.000 0.005 0.000 1.262 522 I HN 0.646 nan 8.210 nan 0.000 0.454 523 A N 5.015 127.850 122.820 0.024 0.000 2.331 523 A HA 0.892 5.212 4.320 0.001 0.000 0.320 523 A C -0.005 177.582 177.584 0.004 0.000 1.138 523 A CA -0.466 51.580 52.037 0.015 0.000 0.790 523 A CB 1.268 20.284 19.000 0.025 0.000 1.206 523 A HN 0.757 nan 8.150 nan 0.000 0.470 524 A N 1.973 124.793 122.820 -0.001 0.000 2.296 524 A HA 0.549 4.870 4.320 0.001 0.000 0.264 524 A C 0.506 178.090 177.584 -0.001 0.000 1.097 524 A CA -0.361 51.674 52.037 -0.004 0.000 0.811 524 A CB 0.234 19.231 19.000 -0.004 0.000 1.072 524 A HN 0.851 nan 8.150 nan 0.000 0.495 525 K N 0.520 120.918 120.400 -0.002 0.000 2.298 525 K HA 0.465 4.785 4.320 0.001 0.000 0.280 525 K C 0.455 177.055 176.600 0.000 0.000 1.032 525 K CA 0.007 56.294 56.287 -0.000 0.000 0.958 525 K CB 0.665 33.164 32.500 -0.002 0.000 0.978 525 K HN 0.805 nan 8.250 nan 0.000 0.472 526 A N 0.000 122.821 122.820 0.002 0.000 2.254 526 A HA 0.000 4.321 4.320 0.001 0.000 0.244 526 A CA 0.000 52.038 52.037 0.001 0.000 0.836 526 A CB 0.000 19.001 19.000 0.002 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486