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 1fuo_1_A DATA FIRST_RESID 4 DATA SEQUENCE VRSEKDSMGA IDVPADKLWG AQTQRSLEHF RISTEKMPTS LIHALALTKR DATA SEQUENCE AAAKVNEDLG LLSEEKASAI RQAADEVLAG QHDDEFPLAI WQTGSGTQSN DATA SEQUENCE MNMNEVLANR ASELLGGVRG MERKVHPNDD VNKSQSSNDV FPTAMHVAAL DATA SEQUENCE LALRKQLIPQ LKTLTQTLNE KSRAFADIVK IGRTHLQDAT PLTLGQEISG DATA SEQUENCE WVAMLEHNLK HIEYSLPHVA ELALGGTAVG TGLNTHPEYA RRVADELAVI DATA SEQUENCE TCAPFVTAPN KFEALATCDA LVQAHGALKG LAASLMKIAN DVRWLASGPR DATA SEQUENCE CGIGEISIPE NEPGSSIMPG KVNPTQCEAL TMLCCQVMGN DVAINMGGAS DATA SEQUENCE GNFELNVFRP MVIHNFLQSV RLLADGMESF NKHCAVGIEP NRERINQLLN DATA SEQUENCE ESLMLVTALN THIGYDKAAE IAKKAHKEGL TLKAAALALG YLSEAEFDSW DATA SEQUENCE VRPEQM 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.065 176.094 -0.048 0.000 1.182 4 V CA 0.000 62.273 62.300 -0.045 0.000 1.235 4 V CB 0.000 31.808 31.823 -0.025 0.000 1.184 5 R N 0.467 120.935 120.500 -0.053 0.000 2.725 5 R HA 0.788 5.128 4.340 -0.000 0.000 0.277 5 R C -1.166 175.116 176.300 -0.029 0.000 0.987 5 R CA -0.065 56.007 56.100 -0.048 0.000 0.901 5 R CB 2.287 32.544 30.300 -0.072 0.000 1.207 5 R HN 1.174 nan 8.270 nan 0.000 0.463 6 S N 1.865 117.554 115.700 -0.018 0.000 2.422 6 S HA 0.302 4.772 4.470 -0.000 0.000 0.308 6 S C -0.936 173.665 174.600 0.002 0.000 1.097 6 S CA -0.557 57.640 58.200 -0.004 0.000 1.099 6 S CB 0.709 63.908 63.200 -0.001 0.000 0.976 6 S HN 0.534 nan 8.310 nan 0.000 0.471 7 E N 2.877 123.084 120.200 0.013 0.000 2.263 7 E HA 0.526 4.876 4.350 -0.000 0.000 0.264 7 E C -0.684 175.935 176.600 0.032 0.000 0.923 7 E CA -0.808 55.605 56.400 0.023 0.000 0.802 7 E CB 2.112 31.833 29.700 0.035 0.000 1.228 7 E HN 0.737 nan 8.360 nan 0.000 0.417 8 K N 0.072 120.493 120.400 0.035 0.000 2.495 8 K HA 0.544 4.864 4.320 -0.000 0.000 0.268 8 K C -1.407 175.217 176.600 0.040 0.000 1.008 8 K CA -0.786 55.522 56.287 0.036 0.000 0.882 8 K CB 1.965 34.482 32.500 0.028 0.000 1.443 8 K HN 0.417 nan 8.250 nan 0.000 0.447 9 D N -0.864 119.558 120.400 0.038 0.000 2.812 9 D HA 0.129 4.769 4.640 -0.000 0.000 0.318 9 D C 0.559 176.877 176.300 0.031 0.000 1.234 9 D CA -0.314 53.709 54.000 0.038 0.000 0.989 9 D CB 0.524 41.350 40.800 0.044 0.000 1.442 9 D HN 0.459 nan 8.370 nan 0.000 0.537 10 S N -0.801 114.916 115.700 0.028 0.000 2.420 10 S HA -0.223 4.247 4.470 -0.000 0.000 0.237 10 S C 1.621 176.234 174.600 0.023 0.000 1.023 10 S CA 1.049 59.262 58.200 0.021 0.000 0.991 10 S CB -0.677 62.534 63.200 0.018 0.000 0.792 10 S HN 0.509 nan 8.310 nan 0.000 0.488 11 M N 1.263 120.882 119.600 0.031 0.000 2.556 11 M HA 0.287 4.767 4.480 -0.000 0.000 0.245 11 M C 1.264 177.582 176.300 0.030 0.000 1.128 11 M CA 0.554 55.873 55.300 0.032 0.000 1.069 11 M CB 0.025 32.652 32.600 0.046 0.000 1.469 11 M HN 0.648 nan 8.290 nan 0.000 0.494 12 G N 0.290 109.107 108.800 0.029 0.000 2.331 12 G HA2 0.197 4.157 3.960 -0.000 0.000 0.479 12 G HA3 0.197 4.157 3.960 -0.000 0.000 0.479 12 G C -1.605 173.312 174.900 0.027 0.000 1.262 12 G CA -0.582 44.532 45.100 0.025 0.000 1.029 12 G HN 0.387 nan 8.290 nan 0.000 0.487 13 A N -0.717 122.117 122.820 0.023 0.000 2.282 13 A HA 0.924 5.244 4.320 -0.000 0.000 0.319 13 A C -0.139 177.460 177.584 0.024 0.000 1.121 13 A CA 0.058 52.109 52.037 0.023 0.000 0.836 13 A CB 1.203 20.214 19.000 0.018 0.000 1.146 13 A HN 2.059 nan 8.150 nan 0.000 0.494 14 I N 0.183 120.770 120.570 0.027 0.000 2.842 14 I HA 0.291 4.461 4.170 -0.000 0.000 0.297 14 I C -1.699 174.436 176.117 0.030 0.000 1.380 14 I CA -0.737 60.579 61.300 0.028 0.000 1.018 14 I CB 2.125 40.144 38.000 0.033 0.000 1.311 14 I HN 0.590 nan 8.210 nan 0.000 0.439 15 D N 6.240 126.655 120.400 0.026 0.000 2.304 15 D HA 0.441 5.081 4.640 -0.000 0.000 0.250 15 D C -0.453 175.869 176.300 0.037 0.000 1.107 15 D CA 0.158 54.170 54.000 0.019 0.000 0.885 15 D CB 1.952 42.757 40.800 0.010 0.000 1.192 15 D HN 0.341 nan 8.370 nan 0.000 0.436 16 V N -0.609 119.311 119.914 0.010 0.000 2.735 16 V HA 0.609 4.729 4.120 -0.000 0.000 0.310 16 V C -2.751 173.279 176.094 -0.107 0.000 1.061 16 V CA -2.485 59.812 62.300 -0.005 0.000 0.913 16 V CB 2.165 33.962 31.823 -0.043 0.000 1.005 16 V HN 0.282 nan 8.190 nan 0.000 0.428 17 P HA 0.091 nan 4.420 nan 0.000 0.262 17 P C 0.855 178.007 177.300 -0.245 0.000 1.199 17 P CA 0.672 63.663 63.100 -0.180 0.000 0.763 17 P CB 1.260 32.844 31.700 -0.193 0.000 0.790 18 A N 4.719 127.444 122.820 -0.159 0.000 1.986 18 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 18 A C 1.559 179.040 177.584 -0.171 0.000 1.171 18 A CA 1.945 53.895 52.037 -0.147 0.000 0.640 18 A CB -0.972 17.972 19.000 -0.093 0.000 0.811 18 A HN 0.625 nan 8.150 nan 0.000 0.451 19 D N -1.044 119.250 120.400 -0.176 0.000 2.336 19 D HA 0.015 4.655 4.640 -0.000 0.000 0.229 19 D C 0.092 176.246 176.300 -0.244 0.000 1.061 19 D CA 0.350 54.251 54.000 -0.164 0.000 0.875 19 D CB 0.062 40.793 40.800 -0.115 0.000 0.904 19 D HN 0.112 nan 8.370 nan 0.000 0.525 20 K N 0.385 120.545 120.400 -0.399 0.000 2.208 20 K HA 0.390 4.710 4.320 -0.000 0.000 0.247 20 K C 0.870 177.175 176.600 -0.492 0.000 0.953 20 K CA -0.803 55.119 56.287 -0.608 0.000 0.837 20 K CB 2.317 34.008 32.500 -1.350 0.000 1.131 20 K HN -0.027 nan 8.250 nan 0.000 0.431 21 L N 0.365 121.356 121.223 -0.387 0.000 2.585 21 L HA 0.146 4.486 4.340 -0.000 0.000 0.226 21 L C 0.421 177.205 176.870 -0.143 0.000 1.113 21 L CA -0.269 54.428 54.840 -0.237 0.000 0.876 21 L CB 0.003 41.941 42.059 -0.202 0.000 1.072 21 L HN 0.558 nan 8.230 nan 0.000 0.468 22 W N -0.067 121.147 121.300 -0.142 0.000 2.030 22 W HA 0.613 5.273 4.660 -0.000 0.000 0.360 22 W C 0.570 177.045 176.519 -0.073 0.000 1.370 22 W CA -0.689 56.582 57.345 -0.123 0.000 1.433 22 W CB -0.254 29.125 29.460 -0.135 0.000 1.204 22 W HN -0.161 nan 8.180 nan 0.000 0.649 23 G N -0.761 108.239 108.800 0.332 0.000 3.119 23 G HA2 0.470 4.430 3.960 -0.000 0.000 0.206 23 G HA3 0.470 4.430 3.960 -0.000 0.000 0.206 23 G C 0.560 175.599 174.900 0.231 0.000 1.313 23 G CA -0.479 44.744 45.100 0.204 0.000 1.010 23 G HN 0.939 nan 8.290 nan 0.000 0.578 24 A N -0.917 121.981 122.820 0.130 0.000 1.877 24 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 24 A C 2.242 179.876 177.584 0.082 0.000 1.186 24 A CA 2.141 54.238 52.037 0.101 0.000 0.620 24 A CB -0.753 18.289 19.000 0.069 0.000 0.822 24 A HN 0.624 nan 8.150 nan 0.000 0.443 25 Q N -0.979 118.864 119.800 0.071 0.000 2.084 25 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 25 Q C 2.174 178.185 176.000 0.019 0.000 0.978 25 Q CA 1.890 57.725 55.803 0.052 0.000 0.844 25 Q CB -0.432 28.335 28.738 0.048 0.000 0.898 25 Q HN 0.684 nan 8.270 nan 0.000 0.426 26 T N 0.721 115.270 114.554 -0.008 0.000 2.777 26 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 26 T C 1.753 176.317 174.700 -0.227 0.000 1.040 26 T CA 1.402 63.404 62.100 -0.163 0.000 1.141 26 T CB -0.145 68.548 68.868 -0.292 0.000 0.868 26 T HN 0.162 nan 8.240 nan 0.000 0.444 27 Q N 1.157 120.922 119.800 -0.058 0.000 2.124 27 Q HA 0.031 4.371 4.340 -0.000 0.000 0.202 27 Q C 2.295 178.261 176.000 -0.057 0.000 0.977 27 Q CA 1.485 57.299 55.803 0.018 0.000 0.850 27 Q CB -0.183 28.669 28.738 0.190 0.000 0.901 27 Q HN 0.369 nan 8.270 nan 0.000 0.429 28 R N -0.997 119.472 120.500 -0.052 0.000 2.075 28 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 28 R C 2.265 178.441 176.300 -0.206 0.000 1.126 28 R CA 1.458 57.474 56.100 -0.140 0.000 0.963 28 R CB -0.095 30.206 30.300 0.001 0.000 0.858 28 R HN 0.227 nan 8.270 nan 0.000 0.435 29 S N 0.984 116.684 115.700 0.000 0.000 2.382 29 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 29 S C 1.648 176.310 174.600 0.102 0.000 1.027 29 S CA 0.701 59.009 58.200 0.180 0.000 0.991 29 S CB -0.190 63.088 63.200 0.130 0.000 0.823 29 S HN 0.170 nan 8.310 nan 0.000 0.469 30 L N 1.934 123.118 121.223 -0.065 0.000 2.191 30 L HA -0.059 4.281 4.340 -0.000 0.000 0.212 30 L C 1.930 178.757 176.870 -0.072 0.000 1.103 30 L CA 1.678 56.465 54.840 -0.088 0.000 0.769 30 L CB -0.547 41.411 42.059 -0.169 0.000 0.908 30 L HN 0.306 nan 8.230 nan 0.000 0.438 31 E N -2.397 117.706 120.200 -0.163 0.000 2.276 31 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 31 E C 1.607 178.084 176.600 -0.204 0.000 0.983 31 E CA 0.613 56.890 56.400 -0.206 0.000 0.861 31 E CB 0.009 29.528 29.700 -0.301 0.000 0.817 31 E HN 0.680 nan 8.360 nan 0.000 0.485 32 H N -1.275 117.721 119.070 -0.124 0.000 2.547 32 H HA 0.117 4.673 4.556 -0.000 0.000 0.272 32 H C 0.059 175.003 175.328 -0.640 0.000 0.971 32 H CA 0.160 55.975 56.048 -0.388 0.000 1.245 32 H CB 0.446 29.892 29.762 -0.527 0.000 1.440 32 H HN -0.004 nan 8.280 nan 0.000 0.540 33 F N 1.081 121.081 119.950 0.083 0.000 2.530 33 F HA 0.324 4.851 4.527 -0.000 0.000 0.318 33 F C 0.016 175.842 175.800 0.044 0.000 1.356 33 F CA -0.623 57.413 58.000 0.060 0.000 1.135 33 F CB 0.476 39.501 39.000 0.042 0.000 1.315 33 F HN -0.152 nan 8.300 nan 0.000 0.549 34 R N 1.836 122.403 120.500 0.113 0.000 4.138 34 R HA 0.412 4.752 4.340 -0.000 0.000 0.206 34 R C -0.601 175.757 176.300 0.096 0.000 1.667 34 R CA 0.018 56.170 56.100 0.085 0.000 1.481 34 R CB -0.018 30.302 30.300 0.033 0.000 1.388 34 R HN 0.399 nan 8.270 nan 0.000 0.776 35 I N 0.693 121.362 120.570 0.164 0.000 2.382 35 I HA 0.131 4.301 4.170 -0.000 0.000 0.286 35 I C 0.646 176.873 176.117 0.184 0.000 1.002 35 I CA -0.283 61.104 61.300 0.144 0.000 1.135 35 I CB 1.627 39.736 38.000 0.181 0.000 1.288 35 I HN 0.479 nan 8.210 nan 0.000 0.448 36 S N 4.104 119.849 115.700 0.075 0.000 3.245 36 S HA -0.264 4.206 4.470 -0.000 0.000 0.631 36 S C 1.012 175.691 174.600 0.132 0.000 2.821 36 S CA 1.588 59.838 58.200 0.083 0.000 3.266 36 S CB -0.699 62.535 63.200 0.057 0.000 0.314 36 S HN 0.965 nan 8.310 nan 0.000 1.621 37 T N -1.353 113.289 114.554 0.146 0.000 3.043 37 T HA 0.470 4.820 4.350 -0.000 0.000 0.272 37 T C -0.140 174.630 174.700 0.115 0.000 0.990 37 T CA 0.365 62.535 62.100 0.116 0.000 0.897 37 T CB 0.123 69.044 68.868 0.088 0.000 1.111 37 T HN 0.496 nan 8.240 nan 0.000 0.529 38 E N 2.465 122.762 120.200 0.161 0.000 2.290 38 E HA 0.451 4.801 4.350 -0.000 0.000 0.277 38 E C 0.047 176.609 176.600 -0.064 0.000 1.035 38 E CA -0.127 56.301 56.400 0.048 0.000 0.873 38 E CB 0.649 30.327 29.700 -0.038 0.000 1.029 38 E HN 0.187 nan 8.360 nan 0.000 0.419 39 K N 1.873 122.249 120.400 -0.039 0.000 2.313 39 K HA 0.457 4.777 4.320 -0.000 0.000 0.235 39 K C 0.088 176.658 176.600 -0.050 0.000 1.035 39 K CA -1.062 55.195 56.287 -0.051 0.000 0.868 39 K CB 0.724 33.229 32.500 0.009 0.000 1.232 39 K HN 0.409 nan 8.250 nan 0.000 0.459 40 M N 3.278 122.856 119.600 -0.038 0.000 2.252 40 M HA 0.119 4.599 4.480 -0.000 0.000 0.348 40 M C -1.834 174.456 176.300 -0.017 0.000 1.334 40 M CA -1.618 53.668 55.300 -0.022 0.000 1.071 40 M CB -0.643 31.948 32.600 -0.015 0.000 1.763 40 M HN 0.251 nan 8.290 nan 0.000 0.452 41 P HA 0.157 nan 4.420 nan 0.000 0.274 41 P C 0.394 177.632 177.300 -0.105 0.000 1.237 41 P CA -0.137 62.945 63.100 -0.031 0.000 0.793 41 P CB 0.358 32.051 31.700 -0.011 0.000 0.977 42 T N 0.744 115.212 114.554 -0.143 0.000 2.699 42 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 42 T C 1.928 176.366 174.700 -0.436 0.000 1.036 42 T CA 2.490 64.408 62.100 -0.303 0.000 1.147 42 T CB -0.905 67.780 68.868 -0.305 0.000 0.862 42 T HN 0.674 nan 8.240 nan 0.000 0.446 43 S N 1.633 117.177 115.700 -0.260 0.000 2.383 43 S HA -0.077 4.393 4.470 -0.000 0.000 0.229 43 S C 1.984 176.516 174.600 -0.114 0.000 1.030 43 S CA 0.932 59.034 58.200 -0.164 0.000 1.002 43 S CB -0.669 62.492 63.200 -0.065 0.000 0.829 43 S HN 0.303 nan 8.310 nan 0.000 0.467 44 L N 1.137 122.286 121.223 -0.124 0.000 2.109 44 L HA 0.169 4.509 4.340 -0.000 0.000 0.207 44 L C 2.158 178.937 176.870 -0.152 0.000 1.086 44 L CA 1.235 55.997 54.840 -0.129 0.000 0.760 44 L CB -0.630 41.359 42.059 -0.117 0.000 0.910 44 L HN 0.212 nan 8.230 nan 0.000 0.437 45 I N -0.525 119.924 120.570 -0.202 0.000 2.179 45 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 45 I C 2.516 178.559 176.117 -0.124 0.000 1.088 45 I CA 1.592 62.712 61.300 -0.300 0.000 1.357 45 I CB -1.490 36.235 38.000 -0.459 0.000 1.051 45 I HN 0.452 nan 8.210 nan 0.000 0.409 46 H N 0.388 119.362 119.070 -0.160 0.000 2.353 46 H HA -0.090 4.466 4.556 -0.000 0.000 0.300 46 H C 2.258 177.532 175.328 -0.091 0.000 1.090 46 H CA 1.028 57.017 56.048 -0.098 0.000 1.327 46 H CB 0.219 29.950 29.762 -0.052 0.000 1.383 46 H HN 0.344 nan 8.280 nan 0.000 0.508 47 A N 1.069 123.905 122.820 0.028 0.000 1.902 47 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 47 A C 2.268 179.801 177.584 -0.085 0.000 1.181 47 A CA 1.177 53.187 52.037 -0.044 0.000 0.623 47 A CB -0.551 18.400 19.000 -0.082 0.000 0.818 47 A HN 0.270 nan 8.150 nan 0.000 0.443 48 L N -0.410 120.754 121.223 -0.097 0.000 2.093 48 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 48 L C 2.687 179.529 176.870 -0.046 0.000 1.085 48 L CA 1.912 56.701 54.840 -0.084 0.000 0.755 48 L CB -0.823 41.188 42.059 -0.081 0.000 0.904 48 L HN 0.354 nan 8.230 nan 0.000 0.435 49 A N -0.799 121.997 122.820 -0.040 0.000 1.898 49 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 49 A C 2.268 179.841 177.584 -0.018 0.000 1.181 49 A CA 1.765 53.796 52.037 -0.010 0.000 0.620 49 A CB -0.774 18.224 19.000 -0.002 0.000 0.819 49 A HN 0.452 nan 8.150 nan 0.000 0.442 50 L N -0.687 120.515 121.223 -0.034 0.000 2.083 50 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 50 L C 2.779 179.613 176.870 -0.060 0.000 1.083 50 L CA 1.740 56.553 54.840 -0.044 0.000 0.752 50 L CB -0.743 41.286 42.059 -0.049 0.000 0.899 50 L HN 0.351 nan 8.230 nan 0.000 0.433 51 T N -0.785 113.724 114.554 -0.076 0.000 2.746 51 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 51 T C 1.931 176.610 174.700 -0.035 0.000 1.039 51 T CA 0.968 63.019 62.100 -0.082 0.000 1.142 51 T CB -0.028 68.784 68.868 -0.093 0.000 0.866 51 T HN 0.150 nan 8.240 nan 0.000 0.444 52 K N 1.063 121.456 120.400 -0.011 0.000 2.097 52 K HA 0.048 4.368 4.320 -0.000 0.000 0.205 52 K C 2.349 178.957 176.600 0.014 0.000 1.050 52 K CA 0.814 57.111 56.287 0.017 0.000 0.938 52 K CB -0.321 32.198 32.500 0.031 0.000 0.718 52 K HN 0.290 nan 8.250 nan 0.000 0.442 53 R N 0.756 121.256 120.500 0.000 0.000 2.081 53 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 53 R C 2.127 178.422 176.300 -0.008 0.000 1.131 53 R CA 1.379 57.479 56.100 -0.001 0.000 0.960 53 R CB -0.121 30.175 30.300 -0.008 0.000 0.856 53 R HN 0.144 nan 8.270 nan 0.000 0.436 54 A N 0.701 123.504 122.820 -0.027 0.000 1.898 54 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 54 A C 2.345 179.907 177.584 -0.036 0.000 1.181 54 A CA 1.514 53.524 52.037 -0.045 0.000 0.620 54 A CB -0.709 18.242 19.000 -0.081 0.000 0.819 54 A HN 0.519 nan 8.150 nan 0.000 0.442 55 A N -0.006 122.811 122.820 -0.005 0.000 1.908 55 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 55 A C 2.507 180.143 177.584 0.086 0.000 1.181 55 A CA 2.191 54.270 52.037 0.070 0.000 0.627 55 A CB -1.047 18.031 19.000 0.129 0.000 0.818 55 A HN 1.064 nan 8.150 nan 0.000 0.445 56 A N -0.202 122.648 122.820 0.051 0.000 1.883 56 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 56 A C 2.089 179.692 177.584 0.032 0.000 1.186 56 A CA 2.433 54.496 52.037 0.043 0.000 0.624 56 A CB -0.448 18.570 19.000 0.030 0.000 0.822 56 A HN 0.468 nan 8.150 nan 0.000 0.444 57 K N -0.267 120.143 120.400 0.016 0.000 2.026 57 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 57 K C 1.724 178.327 176.600 0.005 0.000 1.048 57 K CA 1.880 58.169 56.287 0.005 0.000 0.929 57 K CB -0.652 31.843 32.500 -0.008 0.000 0.713 57 K HN 0.186 nan 8.250 nan 0.000 0.439 58 V N 1.714 121.630 119.914 0.002 0.000 2.343 58 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 58 V C 1.987 178.116 176.094 0.058 0.000 1.051 58 V CA 1.980 64.282 62.300 0.004 0.000 1.036 58 V CB -0.684 31.096 31.823 -0.071 0.000 0.654 58 V HN 0.395 nan 8.190 nan 0.000 0.451 59 N N 0.030 118.793 118.700 0.106 0.000 2.149 59 N HA -0.205 4.535 4.740 -0.000 0.000 0.188 59 N C 1.923 177.451 175.510 0.031 0.000 1.019 59 N CA 1.677 54.781 53.050 0.090 0.000 0.857 59 N CB -0.238 38.303 38.487 0.090 0.000 0.997 59 N HN 0.688 nan 8.380 nan 0.000 0.426 60 E N 0.779 120.993 120.200 0.023 0.000 2.051 60 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 60 E C 0.715 177.312 176.600 -0.005 0.000 0.991 60 E CA 1.134 57.538 56.400 0.008 0.000 0.799 60 E CB 0.064 29.769 29.700 0.009 0.000 0.748 60 E HN 0.181 nan 8.360 nan 0.000 0.449 61 D N 0.517 120.912 120.400 -0.008 0.000 2.182 61 D HA -0.137 4.503 4.640 -0.000 0.000 0.201 61 D C 1.803 178.075 176.300 -0.047 0.000 0.986 61 D CA 0.837 54.824 54.000 -0.022 0.000 0.847 61 D CB -0.059 40.728 40.800 -0.020 0.000 0.942 61 D HN 0.293 nan 8.370 nan 0.000 0.467 62 L N -0.623 120.562 121.223 -0.064 0.000 2.591 62 L HA 0.180 4.520 4.340 -0.000 0.000 0.228 62 L C 1.358 178.171 176.870 -0.095 0.000 1.133 62 L CA 0.244 55.000 54.840 -0.141 0.000 0.880 62 L CB -0.149 41.782 42.059 -0.214 0.000 1.033 62 L HN 0.078 nan 8.230 nan 0.000 0.450 63 G N 0.402 109.174 108.800 -0.047 0.000 2.160 63 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.251 63 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.251 63 G C 0.716 175.604 174.900 -0.020 0.000 1.008 63 G CA 0.408 45.491 45.100 -0.028 0.000 0.724 63 G HN 0.383 nan 8.290 nan 0.000 0.514 64 L N -1.728 119.485 121.223 -0.018 0.000 2.477 64 L HA 0.486 4.826 4.340 -0.000 0.000 0.220 64 L C 0.914 177.786 176.870 0.003 0.000 1.106 64 L CA 0.243 55.077 54.840 -0.009 0.000 0.851 64 L CB 0.191 42.243 42.059 -0.011 0.000 0.994 64 L HN 0.279 nan 8.230 nan 0.000 0.462 65 L N -0.341 120.887 121.223 0.008 0.000 2.431 65 L HA 0.381 4.721 4.340 -0.000 0.000 0.266 65 L C 0.141 177.018 176.870 0.013 0.000 0.978 65 L CA -0.516 54.333 54.840 0.016 0.000 0.822 65 L CB 2.046 44.120 42.059 0.024 0.000 1.310 65 L HN 0.003 nan 8.230 nan 0.000 0.409 66 S N 1.952 117.661 115.700 0.015 0.000 2.562 66 S HA 0.112 4.582 4.470 -0.000 0.000 0.281 66 S C 0.975 175.582 174.600 0.011 0.000 1.333 66 S CA 0.274 58.481 58.200 0.012 0.000 1.052 66 S CB 0.741 63.950 63.200 0.014 0.000 0.884 66 S HN 0.843 nan 8.310 nan 0.000 0.506 67 E N 2.020 122.225 120.200 0.008 0.000 2.097 67 E HA -0.320 4.030 4.350 -0.000 0.000 0.196 67 E C 1.807 178.412 176.600 0.007 0.000 1.000 67 E CA 1.919 58.323 56.400 0.007 0.000 0.804 67 E CB -0.259 29.444 29.700 0.005 0.000 0.740 67 E HN 0.968 nan 8.360 nan 0.000 0.454 68 E N 0.754 120.958 120.200 0.007 0.000 2.049 68 E HA -0.257 4.093 4.350 -0.000 0.000 0.198 68 E C 2.098 178.702 176.600 0.006 0.000 1.007 68 E CA 1.423 57.827 56.400 0.006 0.000 0.809 68 E CB -0.280 29.423 29.700 0.006 0.000 0.749 68 E HN 0.164 nan 8.360 nan 0.000 0.450 69 K N 0.687 121.092 120.400 0.009 0.000 2.062 69 K HA -0.006 4.314 4.320 -0.000 0.000 0.205 69 K C 2.412 179.019 176.600 0.012 0.000 1.051 69 K CA 0.971 57.263 56.287 0.009 0.000 0.941 69 K CB -0.237 32.273 32.500 0.017 0.000 0.719 69 K HN 0.218 nan 8.250 nan 0.000 0.440 70 A N 1.742 124.570 122.820 0.014 0.000 1.883 70 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 70 A C 2.245 179.837 177.584 0.013 0.000 1.186 70 A CA 2.435 54.482 52.037 0.016 0.000 0.624 70 A CB -0.785 18.224 19.000 0.015 0.000 0.822 70 A HN 0.420 nan 8.150 nan 0.000 0.444 71 S N -0.044 115.662 115.700 0.010 0.000 2.387 71 S HA 0.122 4.592 4.470 -0.000 0.000 0.226 71 S C 2.085 176.691 174.600 0.010 0.000 1.026 71 S CA 1.196 59.401 58.200 0.009 0.000 0.972 71 S CB -0.630 62.574 63.200 0.007 0.000 0.814 71 S HN 0.886 nan 8.310 nan 0.000 0.477 72 A N 2.131 124.955 122.820 0.008 0.000 1.898 72 A HA 0.132 4.452 4.320 -0.000 0.000 0.216 72 A C 2.208 179.798 177.584 0.011 0.000 1.181 72 A CA 1.314 53.356 52.037 0.007 0.000 0.620 72 A CB -0.814 18.186 19.000 0.000 0.000 0.819 72 A HN 0.556 nan 8.150 nan 0.000 0.442 73 I N -0.761 119.816 120.570 0.012 0.000 2.179 73 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 73 I C 2.742 178.872 176.117 0.022 0.000 1.088 73 I CA 1.406 62.717 61.300 0.017 0.000 1.357 73 I CB -0.382 37.630 38.000 0.021 0.000 1.051 73 I HN 0.291 nan 8.210 nan 0.000 0.409 74 R N 0.252 120.763 120.500 0.018 0.000 2.096 74 R HA -0.225 4.115 4.340 -0.000 0.000 0.235 74 R C 2.274 178.586 176.300 0.020 0.000 1.127 74 R CA 1.374 57.484 56.100 0.016 0.000 0.968 74 R CB -0.382 29.925 30.300 0.011 0.000 0.861 74 R HN 0.496 nan 8.270 nan 0.000 0.440 75 Q N 0.374 120.187 119.800 0.022 0.000 2.079 75 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 75 Q C 2.050 178.079 176.000 0.048 0.000 0.974 75 Q CA 1.498 57.318 55.803 0.028 0.000 0.840 75 Q CB -0.023 28.729 28.738 0.024 0.000 0.898 75 Q HN 0.365 nan 8.270 nan 0.000 0.430 76 A N 0.564 123.413 122.820 0.048 0.000 1.933 76 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 76 A C 2.225 179.866 177.584 0.094 0.000 1.175 76 A CA 1.554 53.632 52.037 0.068 0.000 0.628 76 A CB -0.847 18.168 19.000 0.024 0.000 0.814 76 A HN 0.532 nan 8.150 nan 0.000 0.444 77 A N 0.091 122.949 122.820 0.064 0.000 1.902 77 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 77 A C 1.750 179.361 177.584 0.045 0.000 1.181 77 A CA 1.795 53.868 52.037 0.060 0.000 0.623 77 A CB -0.552 18.467 19.000 0.032 0.000 0.818 77 A HN 0.446 nan 8.150 nan 0.000 0.443 78 D N -0.145 120.273 120.400 0.031 0.000 2.178 78 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 78 D C 1.862 178.172 176.300 0.017 0.000 0.980 78 D CA 1.309 55.312 54.000 0.005 0.000 0.842 78 D CB -0.349 40.454 40.800 0.005 0.000 0.948 78 D HN 0.656 nan 8.370 nan 0.000 0.472 79 E N 0.198 120.445 120.200 0.079 0.000 2.106 79 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 79 E C 2.277 178.949 176.600 0.120 0.000 0.984 79 E CA 0.465 56.923 56.400 0.095 0.000 0.806 79 E CB 0.182 30.016 29.700 0.225 0.000 0.750 79 E HN 0.098 nan 8.360 nan 0.000 0.458 80 V N 1.568 121.624 119.914 0.236 0.000 2.295 80 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 80 V C 2.316 178.416 176.094 0.009 0.000 1.049 80 V CA 1.446 63.902 62.300 0.260 0.000 1.024 80 V CB -0.429 31.554 31.823 0.266 0.000 0.648 80 V HN 0.263 nan 8.190 nan 0.000 0.447 81 L N 0.324 121.447 121.223 -0.167 0.000 2.127 81 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 81 L C 2.398 179.067 176.870 -0.336 0.000 1.089 81 L CA 1.489 56.025 54.840 -0.507 0.000 0.757 81 L CB -0.646 41.234 42.059 -0.299 0.000 0.899 81 L HN 0.363 nan 8.230 nan 0.000 0.434 82 A N -0.356 122.390 122.820 -0.123 0.000 2.235 82 A HA 0.277 4.597 4.320 -0.000 0.000 0.208 82 A C 1.718 179.295 177.584 -0.012 0.000 1.172 82 A CA 0.673 52.675 52.037 -0.057 0.000 0.786 82 A CB -0.635 18.341 19.000 -0.041 0.000 0.804 82 A HN 0.532 nan 8.150 nan 0.000 0.479 83 G N -0.936 107.886 108.800 0.036 0.000 2.153 83 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.252 83 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.252 83 G C 0.613 175.525 174.900 0.021 0.000 0.994 83 G CA 0.636 45.795 45.100 0.098 0.000 0.698 83 G HN 0.600 nan 8.290 nan 0.000 0.521 84 Q N -1.225 118.521 119.800 -0.089 0.000 2.432 84 Q HA 0.110 4.450 4.340 -0.000 0.000 0.205 84 Q C 0.973 176.708 176.000 -0.442 0.000 0.945 84 Q CA 1.018 56.642 55.803 -0.299 0.000 0.924 84 Q CB 0.211 28.668 28.738 -0.468 0.000 1.016 84 Q HN 0.861 nan 8.270 nan 0.000 0.503 85 H N -0.848 118.319 119.070 0.162 0.000 2.637 85 H HA 0.112 4.668 4.556 -0.000 0.000 0.245 85 H C 0.014 175.523 175.328 0.301 0.000 1.190 85 H CA -0.392 55.770 56.048 0.191 0.000 0.934 85 H CB 0.674 30.561 29.762 0.209 0.000 1.950 85 H HN 0.092 nan 8.280 nan 0.000 0.614 86 D N 0.976 121.569 120.400 0.322 0.000 2.182 86 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 86 D C 1.725 178.216 176.300 0.317 0.000 0.986 86 D CA 1.370 55.568 54.000 0.331 0.000 0.847 86 D CB 0.001 40.919 40.800 0.197 0.000 0.942 86 D HN 0.670 nan 8.370 nan 0.000 0.467 87 D N 0.416 120.953 120.400 0.228 0.000 2.363 87 D HA -0.110 4.530 4.640 -0.000 0.000 0.226 87 D C 0.801 177.230 176.300 0.215 0.000 1.020 87 D CA 0.385 54.502 54.000 0.195 0.000 0.892 87 D CB -0.016 40.868 40.800 0.141 0.000 0.900 87 D HN 0.129 nan 8.370 nan 0.000 0.531 88 E N -0.064 120.201 120.200 0.107 0.000 2.465 88 E HA 0.080 4.430 4.350 -0.000 0.000 0.191 88 E C -0.380 175.900 176.600 -0.533 0.000 1.053 88 E CA -0.097 56.234 56.400 -0.115 0.000 0.869 88 E CB -0.037 29.427 29.700 -0.394 0.000 0.977 88 E HN 0.369 nan 8.360 nan 0.000 0.483 89 F N 1.569 121.614 119.950 0.158 0.000 2.550 89 F HA 0.264 4.791 4.527 -0.000 0.000 0.348 89 F C -1.526 174.240 175.800 -0.057 0.000 1.219 89 F CA -1.820 56.193 58.000 0.021 0.000 1.203 89 F CB 1.456 40.482 39.000 0.043 0.000 1.436 89 F HN -0.140 nan 8.300 nan 0.000 0.541 90 P HA 0.052 nan 4.420 nan 0.000 0.249 90 P C 0.138 177.354 177.300 -0.141 0.000 1.229 90 P CA 0.495 63.501 63.100 -0.156 0.000 0.788 90 P CB 0.656 32.133 31.700 -0.372 0.000 1.072 91 L N 0.585 121.729 121.223 -0.132 0.000 2.416 91 L HA 0.295 4.635 4.340 -0.000 0.000 0.272 91 L C 1.077 177.896 176.870 -0.085 0.000 1.161 91 L CA -0.740 54.032 54.840 -0.113 0.000 0.845 91 L CB 0.325 42.308 42.059 -0.126 0.000 1.119 91 L HN -0.035 nan 8.230 nan 0.000 0.464 92 A N 3.388 126.166 122.820 -0.070 0.000 2.366 92 A HA 0.238 4.558 4.320 -0.000 0.000 0.249 92 A C 1.235 178.660 177.584 -0.265 0.000 1.084 92 A CA -0.488 51.496 52.037 -0.088 0.000 0.794 92 A CB 0.385 19.427 19.000 0.070 0.000 1.034 92 A HN 0.709 nan 8.150 nan 0.000 0.491 93 I N -0.767 119.490 120.570 -0.522 0.000 2.286 93 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 93 I C 0.674 176.287 176.117 -0.840 0.000 1.115 93 I CA 0.971 61.779 61.300 -0.819 0.000 1.392 93 I CB -0.889 36.272 38.000 -1.398 0.000 1.065 93 I HN 0.754 nan 8.210 nan 0.000 0.418 94 W N 3.930 125.161 121.300 -0.114 0.000 1.606 94 W HA 0.266 4.926 4.660 -0.000 0.000 0.455 94 W C 1.068 177.496 176.519 -0.151 0.000 0.711 94 W CA -0.650 56.640 57.345 -0.092 0.000 1.876 94 W CB -0.775 28.673 29.460 -0.020 0.000 1.776 94 W HN 0.255 nan 8.180 nan 0.000 0.229 95 Q N -0.463 119.145 119.800 -0.320 0.000 3.375 95 Q HA 0.521 4.861 4.340 -0.000 0.000 0.295 95 Q C 0.255 175.855 176.000 -0.667 0.000 0.996 95 Q CA -1.030 54.229 55.803 -0.906 0.000 0.801 95 Q CB 0.176 28.417 28.738 -0.829 0.000 2.066 95 Q HN 0.039 nan 8.270 nan 0.000 0.424 96 T N -1.724 112.404 114.554 -0.709 0.000 2.928 96 T HA 0.195 4.545 4.350 -0.000 0.000 0.305 96 T C 1.209 175.701 174.700 -0.346 0.000 1.035 96 T CA -0.055 61.818 62.100 -0.378 0.000 1.145 96 T CB 0.636 69.329 68.868 -0.292 0.000 0.963 96 T HN 0.754 nan 8.240 nan 0.000 0.545 97 G N 1.584 110.227 108.800 -0.263 0.000 2.501 97 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.220 97 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.220 97 G C 1.540 176.303 174.900 -0.229 0.000 1.114 97 G CA 0.582 45.532 45.100 -0.251 0.000 0.757 97 G HN 0.941 nan 8.290 nan 0.000 0.559 98 S N -1.047 114.503 115.700 -0.250 0.000 2.528 98 S HA 0.361 4.831 4.470 -0.000 0.000 0.219 98 S C 1.822 176.109 174.600 -0.520 0.000 0.985 98 S CA 0.894 58.956 58.200 -0.230 0.000 0.914 98 S CB 0.108 63.226 63.200 -0.138 0.000 0.776 98 S HN 1.432 nan 8.310 nan 0.000 0.526 99 G N 0.884 109.227 108.800 -0.762 0.000 2.136 99 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.242 99 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.242 99 G C 0.655 175.165 174.900 -0.651 0.000 0.989 99 G CA 0.527 44.858 45.100 -1.281 0.000 0.682 99 G HN 0.456 nan 8.290 nan 0.000 0.522 100 T N 0.114 114.441 114.554 -0.378 0.000 2.665 100 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 100 T C 2.303 176.908 174.700 -0.159 0.000 1.035 100 T CA 2.148 64.132 62.100 -0.195 0.000 1.151 100 T CB -0.144 68.641 68.868 -0.137 0.000 0.862 100 T HN 0.448 nan 8.240 nan 0.000 0.438 101 Q N 0.912 120.582 119.800 -0.217 0.000 2.045 101 Q HA -0.057 4.283 4.340 -0.000 0.000 0.206 101 Q C 2.692 178.628 176.000 -0.107 0.000 0.991 101 Q CA 1.743 57.448 55.803 -0.164 0.000 0.851 101 Q CB -0.601 27.985 28.738 -0.254 0.000 0.911 101 Q HN 0.393 nan 8.270 nan 0.000 0.418 102 S N 0.397 116.018 115.700 -0.132 0.000 2.423 102 S HA -0.131 4.339 4.470 -0.000 0.000 0.231 102 S C 1.591 176.235 174.600 0.073 0.000 1.014 102 S CA 1.053 59.252 58.200 -0.002 0.000 0.965 102 S CB -0.334 62.889 63.200 0.038 0.000 0.785 102 S HN 0.406 nan 8.310 nan 0.000 0.495 103 N N 1.505 120.229 118.700 0.039 0.000 2.106 103 N HA -0.020 4.720 4.740 -0.000 0.000 0.188 103 N C 1.641 177.192 175.510 0.068 0.000 1.029 103 N CA 1.277 54.375 53.050 0.079 0.000 0.848 103 N CB -0.235 38.285 38.487 0.056 0.000 1.007 103 N HN 0.125 nan 8.380 nan 0.000 0.423 104 M N 0.614 120.235 119.600 0.036 0.000 2.229 104 M HA -0.050 4.430 4.480 -0.000 0.000 0.264 104 M C 1.746 178.087 176.300 0.068 0.000 1.063 104 M CA 0.873 56.199 55.300 0.044 0.000 1.114 104 M CB -1.597 31.017 32.600 0.022 0.000 1.387 104 M HN 0.300 nan 8.290 nan 0.000 0.420 105 N N 0.705 119.449 118.700 0.074 0.000 2.069 105 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 105 N C 1.577 177.208 175.510 0.202 0.000 1.031 105 N CA 1.501 54.614 53.050 0.105 0.000 0.852 105 N CB -0.190 38.374 38.487 0.128 0.000 1.018 105 N HN 0.178 nan 8.380 nan 0.000 0.423 106 M N 0.894 120.653 119.600 0.266 0.000 2.132 106 M HA -0.000 4.480 4.480 -0.000 0.000 0.263 106 M C 1.389 177.792 176.300 0.171 0.000 1.065 106 M CA 1.320 56.804 55.300 0.306 0.000 1.122 106 M CB -0.646 32.078 32.600 0.207 0.000 1.365 106 M HN 0.089 nan 8.290 nan 0.000 0.411 107 N N 0.448 119.218 118.700 0.117 0.000 2.120 107 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 107 N C 1.645 177.196 175.510 0.068 0.000 1.024 107 N CA 1.793 54.892 53.050 0.081 0.000 0.852 107 N CB -0.366 38.161 38.487 0.068 0.000 1.003 107 N HN 0.582 nan 8.380 nan 0.000 0.424 108 E N 0.224 120.468 120.200 0.073 0.000 2.047 108 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 108 E C 2.032 178.651 176.600 0.031 0.000 0.987 108 E CA 0.718 57.154 56.400 0.060 0.000 0.799 108 E CB 0.026 29.780 29.700 0.090 0.000 0.752 108 E HN 0.043 nan 8.360 nan 0.000 0.449 109 V N 1.260 121.192 119.914 0.030 0.000 2.295 109 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 109 V C 2.224 178.284 176.094 -0.056 0.000 1.049 109 V CA 1.290 63.559 62.300 -0.051 0.000 1.024 109 V CB -0.314 31.434 31.823 -0.124 0.000 0.648 109 V HN 0.197 nan 8.190 nan 0.000 0.447 110 L N 0.160 121.390 121.223 0.012 0.000 2.093 110 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 110 L C 2.529 179.392 176.870 -0.012 0.000 1.085 110 L CA 2.145 56.990 54.840 0.008 0.000 0.755 110 L CB -1.268 40.820 42.059 0.048 0.000 0.904 110 L HN 0.289 nan 8.230 nan 0.000 0.435 111 A N -0.649 122.167 122.820 -0.008 0.000 1.855 111 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 111 A C 2.178 179.729 177.584 -0.055 0.000 1.191 111 A CA 1.689 53.709 52.037 -0.028 0.000 0.613 111 A CB -0.606 18.385 19.000 -0.015 0.000 0.829 111 A HN 0.450 nan 8.150 nan 0.000 0.442 112 N N -0.468 118.199 118.700 -0.054 0.000 2.069 112 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 112 N C 1.908 177.374 175.510 -0.073 0.000 1.031 112 N CA 1.694 54.703 53.050 -0.069 0.000 0.852 112 N CB -0.392 38.050 38.487 -0.075 0.000 1.018 112 N HN 0.457 nan 8.380 nan 0.000 0.423 113 R N 1.187 121.636 120.500 -0.085 0.000 2.075 113 R HA 0.120 4.460 4.340 -0.000 0.000 0.232 113 R C 1.924 178.201 176.300 -0.039 0.000 1.126 113 R CA 1.481 57.536 56.100 -0.074 0.000 0.963 113 R CB -0.861 29.360 30.300 -0.131 0.000 0.858 113 R HN 0.166 nan 8.270 nan 0.000 0.435 114 A N -0.550 122.248 122.820 -0.036 0.000 1.933 114 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 114 A C 2.282 179.846 177.584 -0.034 0.000 1.175 114 A CA 1.933 53.955 52.037 -0.024 0.000 0.628 114 A CB -1.008 17.980 19.000 -0.021 0.000 0.814 114 A HN 0.472 nan 8.150 nan 0.000 0.444 115 S N -0.462 115.207 115.700 -0.052 0.000 2.348 115 S HA -0.208 4.262 4.470 -0.000 0.000 0.221 115 S C 1.919 176.495 174.600 -0.041 0.000 1.033 115 S CA 1.675 59.839 58.200 -0.060 0.000 1.010 115 S CB -0.407 62.745 63.200 -0.080 0.000 0.891 115 S HN 0.668 nan 8.310 nan 0.000 0.442 116 E N 0.290 120.469 120.200 -0.036 0.000 2.070 116 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 116 E C 2.032 178.623 176.600 -0.014 0.000 1.004 116 E CA 1.228 57.613 56.400 -0.024 0.000 0.805 116 E CB -0.293 29.395 29.700 -0.020 0.000 0.744 116 E HN 0.326 nan 8.360 nan 0.000 0.451 117 L N 0.405 121.623 121.223 -0.009 0.000 2.187 117 L HA -0.144 4.196 4.340 -0.000 0.000 0.213 117 L C 1.860 178.727 176.870 -0.005 0.000 1.100 117 L CA 1.429 56.269 54.840 -0.001 0.000 0.765 117 L CB -0.282 41.779 42.059 0.005 0.000 0.904 117 L HN 0.150 nan 8.230 nan 0.000 0.437 118 L N -1.115 120.100 121.223 -0.012 0.000 2.728 118 L HA 0.244 4.584 4.340 -0.000 0.000 0.235 118 L C 1.353 178.215 176.870 -0.013 0.000 1.197 118 L CA 0.408 55.241 54.840 -0.012 0.000 0.992 118 L CB -0.678 41.370 42.059 -0.017 0.000 1.263 118 L HN 0.456 nan 8.230 nan 0.000 0.484 119 G N -0.170 108.623 108.800 -0.012 0.000 2.168 119 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.263 119 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.263 119 G C 0.580 175.471 174.900 -0.016 0.000 0.977 119 G CA 0.104 45.197 45.100 -0.011 0.000 0.659 119 G HN 0.540 nan 8.290 nan 0.000 0.533 120 G N -1.659 107.127 108.800 -0.022 0.000 2.543 120 G HA2 0.715 4.675 3.960 -0.000 0.000 0.267 120 G HA3 0.715 4.675 3.960 -0.000 0.000 0.267 120 G C -0.159 174.722 174.900 -0.031 0.000 1.406 120 G CA 0.198 45.281 45.100 -0.029 0.000 1.048 120 G HN 1.198 nan 8.290 nan 0.000 0.548 121 V N -0.814 119.078 119.914 -0.037 0.000 3.126 121 V HA 0.715 4.835 4.120 -0.000 0.000 0.314 121 V C -0.214 175.851 176.094 -0.049 0.000 1.138 121 V CA -1.120 61.157 62.300 -0.038 0.000 1.034 121 V CB 2.105 33.909 31.823 -0.032 0.000 1.075 121 V HN 1.016 nan 8.190 nan 0.000 0.442 122 R N 2.733 123.202 120.500 -0.053 0.000 2.500 122 R HA 0.847 5.187 4.340 -0.000 0.000 0.277 122 R C 0.196 176.463 176.300 -0.056 0.000 1.026 122 R CA 0.470 56.532 56.100 -0.063 0.000 1.058 122 R CB 1.129 31.383 30.300 -0.078 0.000 1.078 122 R HN 1.668 nan 8.270 nan 0.000 0.509 123 G N 1.277 110.047 108.800 -0.051 0.000 2.409 123 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.421 123 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.421 123 G C 0.253 175.141 174.900 -0.020 0.000 1.259 123 G CA -0.267 44.812 45.100 -0.035 0.000 1.011 123 G HN 0.440 nan 8.290 nan 0.000 0.497 124 M N 0.749 120.347 119.600 -0.005 0.000 2.446 124 M HA 0.044 4.524 4.480 -0.000 0.000 0.263 124 M C 1.952 178.262 176.300 0.017 0.000 1.066 124 M CA 2.047 57.355 55.300 0.014 0.000 1.087 124 M CB -1.188 31.424 32.600 0.019 0.000 1.406 124 M HN 0.781 nan 8.290 nan 0.000 0.459 125 E N 1.635 121.834 120.200 -0.002 0.000 2.419 125 E HA 0.005 4.355 4.350 -0.000 0.000 0.190 125 E C 0.501 177.085 176.600 -0.028 0.000 1.040 125 E CA -0.309 56.089 56.400 -0.002 0.000 0.900 125 E CB 0.268 29.966 29.700 -0.005 0.000 1.054 125 E HN 0.344 nan 8.360 nan 0.000 0.462 126 R N 1.446 121.913 120.500 -0.055 0.000 2.679 126 R HA 0.017 4.357 4.340 -0.000 0.000 0.268 126 R C 0.059 176.242 176.300 -0.195 0.000 1.044 126 R CA 0.111 56.144 56.100 -0.111 0.000 1.105 126 R CB 0.624 30.851 30.300 -0.123 0.000 0.989 126 R HN 0.002 nan 8.270 nan 0.000 0.447 127 K N 1.243 121.535 120.400 -0.179 0.000 2.243 127 K HA 0.095 4.415 4.320 -0.000 0.000 0.201 127 K C 0.098 176.506 176.600 -0.320 0.000 1.051 127 K CA 0.553 56.728 56.287 -0.187 0.000 0.970 127 K CB 0.393 32.843 32.500 -0.084 0.000 0.755 127 K HN 0.325 nan 8.250 nan 0.000 0.465 128 V N 2.354 122.075 119.914 -0.322 0.000 2.398 128 V HA 0.148 4.268 4.120 -0.000 0.000 0.286 128 V C -0.779 175.091 176.094 -0.373 0.000 1.026 128 V CA -0.885 61.257 62.300 -0.263 0.000 0.868 128 V CB 1.059 32.818 31.823 -0.106 0.000 0.982 128 V HN 0.191 nan 8.190 nan 0.000 0.443 129 H N 6.607 125.681 119.070 0.007 0.000 2.517 129 H HA 0.295 4.851 4.556 -0.000 0.000 0.317 129 H C -1.572 173.764 175.328 0.013 0.000 1.080 129 H CA -1.820 54.233 56.048 0.009 0.000 1.301 129 H CB 1.286 31.052 29.762 0.007 0.000 1.425 129 H HN 0.371 nan 8.280 nan 0.000 0.471 130 P HA -0.213 nan 4.420 nan 0.000 0.215 130 P C 0.226 177.570 177.300 0.074 0.000 1.157 130 P CA 1.557 64.701 63.100 0.074 0.000 0.874 130 P CB 0.537 32.276 31.700 0.065 0.000 0.790 131 N N -0.553 118.194 118.700 0.078 0.000 2.197 131 N HA -0.077 4.663 4.740 -0.000 0.000 0.184 131 N C 1.557 177.094 175.510 0.045 0.000 1.030 131 N CA 1.070 54.150 53.050 0.051 0.000 0.851 131 N CB -0.649 37.860 38.487 0.036 0.000 1.003 131 N HN 0.021 nan 8.380 nan 0.000 0.430 132 D N 0.420 120.853 120.400 0.055 0.000 2.178 132 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 132 D C 0.766 177.099 176.300 0.055 0.000 0.980 132 D CA 1.143 55.163 54.000 0.034 0.000 0.842 132 D CB -0.060 40.735 40.800 -0.008 0.000 0.948 132 D HN 0.318 nan 8.370 nan 0.000 0.472 133 D N -0.600 119.853 120.400 0.089 0.000 2.943 133 D HA 0.019 4.659 4.640 -0.000 0.000 0.282 133 D C 2.338 178.670 176.300 0.053 0.000 1.148 133 D CA 0.225 54.268 54.000 0.072 0.000 1.006 133 D CB -0.039 40.812 40.800 0.086 0.000 1.168 133 D HN -0.014 nan 8.370 nan 0.000 0.450 134 V N 1.435 121.382 119.914 0.054 0.000 2.515 134 V HA -0.150 3.970 4.120 -0.000 0.000 0.250 134 V C 1.614 177.737 176.094 0.048 0.000 1.058 134 V CA 1.380 63.709 62.300 0.048 0.000 1.064 134 V CB -0.550 31.302 31.823 0.048 0.000 0.675 134 V HN 0.076 nan 8.190 nan 0.000 0.461 135 N N 0.054 118.781 118.700 0.044 0.000 2.268 135 N HA 0.050 4.790 4.740 -0.000 0.000 0.204 135 N C 0.582 176.102 175.510 0.016 0.000 1.124 135 N CA -0.059 53.012 53.050 0.035 0.000 0.838 135 N CB -0.084 38.423 38.487 0.032 0.000 0.994 135 N HN 0.452 nan 8.380 nan 0.000 0.489 136 K N 0.248 120.657 120.400 0.016 0.000 2.451 136 K HA -0.004 4.316 4.320 -0.000 0.000 0.280 136 K C 0.084 176.647 176.600 -0.061 0.000 1.020 136 K CA 0.630 56.909 56.287 -0.014 0.000 1.008 136 K CB 0.181 32.681 32.500 0.000 0.000 0.917 136 K HN 0.164 nan 8.250 nan 0.000 0.478 137 S N 0.982 116.601 115.700 -0.136 0.000 3.228 137 S HA -0.200 4.270 4.470 -0.000 0.000 0.282 137 S C -0.503 173.933 174.600 -0.274 0.000 1.286 137 S CA 1.342 59.352 58.200 -0.317 0.000 1.066 137 S CB -1.308 61.516 63.200 -0.627 0.000 1.277 137 S HN 0.840 nan 8.310 nan 0.000 0.661 138 Q N -0.142 119.600 119.800 -0.097 0.000 2.572 138 Q HA 0.833 5.173 4.340 -0.000 0.000 0.284 138 Q C -0.368 175.623 176.000 -0.015 0.000 1.091 138 Q CA -0.550 55.240 55.803 -0.021 0.000 0.840 138 Q CB 2.069 30.829 28.738 0.037 0.000 1.433 138 Q HN 0.217 nan 8.270 nan 0.000 0.471 139 S N -1.369 114.335 115.700 0.007 0.000 2.550 139 S HA 0.275 4.745 4.470 -0.000 0.000 0.270 139 S C -0.147 174.466 174.600 0.022 0.000 1.145 139 S CA -0.527 57.677 58.200 0.007 0.000 0.852 139 S CB 1.666 64.866 63.200 -0.000 0.000 1.119 139 S HN 0.534 nan 8.310 nan 0.000 0.465 140 S N 2.649 118.359 115.700 0.017 0.000 2.400 140 S HA -0.111 4.359 4.470 -0.000 0.000 0.232 140 S C 1.654 176.277 174.600 0.039 0.000 1.025 140 S CA 1.518 59.733 58.200 0.024 0.000 0.993 140 S CB -0.551 62.638 63.200 -0.018 0.000 0.808 140 S HN 0.753 nan 8.310 nan 0.000 0.478 141 N N 2.150 120.863 118.700 0.021 0.000 2.104 141 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 141 N C 1.292 176.818 175.510 0.027 0.000 1.024 141 N CA 1.644 54.709 53.050 0.024 0.000 0.853 141 N CB -0.399 38.098 38.487 0.017 0.000 1.008 141 N HN 0.659 nan 8.380 nan 0.000 0.424 142 D N -0.636 119.775 120.400 0.018 0.000 2.392 142 D HA 0.050 4.689 4.640 -0.000 0.000 0.206 142 D C 1.678 177.978 176.300 -0.000 0.000 1.046 142 D CA 0.064 54.064 54.000 -0.001 0.000 0.865 142 D CB -0.396 40.401 40.800 -0.006 0.000 0.969 142 D HN 0.010 nan 8.370 nan 0.000 0.509 143 V N 0.296 120.230 119.914 0.033 0.000 2.323 143 V HA -0.114 4.006 4.120 -0.000 0.000 0.244 143 V C 2.206 178.314 176.094 0.024 0.000 1.041 143 V CA 1.150 63.467 62.300 0.029 0.000 1.025 143 V CB -0.733 31.125 31.823 0.058 0.000 0.656 143 V HN 0.038 nan 8.190 nan 0.000 0.451 144 F N 1.430 121.338 119.950 -0.070 0.000 2.102 144 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 144 F C -0.118 175.619 175.800 -0.105 0.000 1.105 144 F CA 1.812 59.764 58.000 -0.080 0.000 1.239 144 F CB -1.437 37.519 39.000 -0.074 0.000 0.991 144 F HN 0.242 nan 8.300 nan 0.000 0.474 145 P HA -0.121 nan 4.420 nan 0.000 0.217 145 P C 1.656 178.745 177.300 -0.351 0.000 1.150 145 P CA 2.237 65.204 63.100 -0.222 0.000 0.832 145 P CB -0.178 31.415 31.700 -0.178 0.000 0.787 146 T N -0.588 113.813 114.554 -0.255 0.000 2.708 146 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 146 T C 1.901 176.451 174.700 -0.251 0.000 1.037 146 T CA 1.658 63.612 62.100 -0.243 0.000 1.146 146 T CB -0.982 67.777 68.868 -0.181 0.000 0.865 146 T HN 0.028 nan 8.240 nan 0.000 0.435 147 A N 1.360 124.014 122.820 -0.276 0.000 1.908 147 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 147 A C 2.340 179.743 177.584 -0.301 0.000 1.181 147 A CA 1.645 53.505 52.037 -0.296 0.000 0.627 147 A CB -0.733 18.052 19.000 -0.358 0.000 0.818 147 A HN 0.468 nan 8.150 nan 0.000 0.445 148 M N -1.674 117.696 119.600 -0.383 0.000 2.080 148 M HA -0.175 4.305 4.480 -0.000 0.000 0.260 148 M C 2.196 178.470 176.300 -0.045 0.000 1.068 148 M CA 1.688 56.828 55.300 -0.266 0.000 1.109 148 M CB -0.523 31.917 32.600 -0.267 0.000 1.342 148 M HN 0.483 nan 8.290 nan 0.000 0.405 149 H N -0.513 118.441 119.070 -0.193 0.000 2.389 149 H HA -0.035 4.521 4.556 -0.000 0.000 0.299 149 H C 2.188 177.534 175.328 0.029 0.000 1.081 149 H CA 1.285 57.276 56.048 -0.094 0.000 1.345 149 H CB -0.612 29.120 29.762 -0.050 0.000 1.393 149 H HN 0.127 nan 8.280 nan 0.000 0.520 150 V N 0.636 120.565 119.914 0.027 0.000 2.295 150 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 150 V C 2.636 178.810 176.094 0.133 0.000 1.049 150 V CA 1.697 64.005 62.300 0.013 0.000 1.024 150 V CB -1.095 30.567 31.823 -0.268 0.000 0.648 150 V HN 0.527 nan 8.190 nan 0.000 0.447 151 A N 0.013 122.847 122.820 0.024 0.000 1.877 151 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 151 A C 2.436 180.069 177.584 0.082 0.000 1.186 151 A CA 2.275 54.333 52.037 0.034 0.000 0.620 151 A CB -0.906 18.077 19.000 -0.029 0.000 0.822 151 A HN 0.573 nan 8.150 nan 0.000 0.443 152 A N -0.634 122.221 122.820 0.058 0.000 1.858 152 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 152 A C 2.167 179.823 177.584 0.121 0.000 1.190 152 A CA 1.830 53.922 52.037 0.092 0.000 0.617 152 A CB -0.716 18.140 19.000 -0.239 0.000 0.827 152 A HN 0.648 nan 8.150 nan 0.000 0.443 153 L N -0.205 121.073 121.223 0.091 0.000 2.046 153 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 153 L C 2.322 179.223 176.870 0.052 0.000 1.077 153 L CA 1.592 56.464 54.840 0.054 0.000 0.747 153 L CB -0.419 41.651 42.059 0.019 0.000 0.896 153 L HN 0.420 nan 8.230 nan 0.000 0.432 154 L N -1.078 120.214 121.223 0.116 0.000 2.093 154 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 154 L C 2.624 179.532 176.870 0.063 0.000 1.085 154 L CA 1.021 55.913 54.840 0.087 0.000 0.755 154 L CB -0.956 41.179 42.059 0.127 0.000 0.904 154 L HN 0.346 nan 8.230 nan 0.000 0.435 155 A N 0.305 123.173 122.820 0.080 0.000 1.898 155 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 155 A C 2.260 179.873 177.584 0.049 0.000 1.181 155 A CA 1.251 53.328 52.037 0.065 0.000 0.620 155 A CB -0.593 18.460 19.000 0.088 0.000 0.819 155 A HN 0.325 nan 8.150 nan 0.000 0.442 156 L N -1.248 120.017 121.223 0.069 0.000 2.017 156 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 156 L C 2.913 179.788 176.870 0.009 0.000 1.073 156 L CA 1.572 56.437 54.840 0.042 0.000 0.745 156 L CB -0.415 41.688 42.059 0.072 0.000 0.894 156 L HN 0.333 nan 8.230 nan 0.000 0.432 157 R N -0.117 120.384 120.500 0.001 0.000 2.073 157 R HA -0.084 4.256 4.340 -0.000 0.000 0.229 157 R C 2.262 178.556 176.300 -0.011 0.000 1.120 157 R CA 1.081 57.170 56.100 -0.018 0.000 0.967 157 R CB -0.040 30.235 30.300 -0.041 0.000 0.862 157 R HN 0.290 nan 8.270 nan 0.000 0.436 158 K N -0.308 120.093 120.400 0.003 0.000 2.211 158 K HA -0.033 4.287 4.320 -0.000 0.000 0.201 158 K C 1.797 178.400 176.600 0.005 0.000 1.052 158 K CA 0.953 57.244 56.287 0.006 0.000 0.973 158 K CB 0.305 32.817 32.500 0.019 0.000 0.766 158 K HN 0.079 nan 8.250 nan 0.000 0.466 159 Q N -0.025 119.778 119.800 0.005 0.000 2.525 159 Q HA 0.109 4.449 4.340 -0.000 0.000 0.203 159 Q C 1.855 177.849 176.000 -0.010 0.000 0.947 159 Q CA -0.005 55.798 55.803 -0.000 0.000 0.881 159 Q CB -0.078 28.661 28.738 0.001 0.000 1.049 159 Q HN 0.014 nan 8.270 nan 0.000 0.600 160 L N 1.201 122.415 121.223 -0.016 0.000 1.955 160 L HA -0.157 4.183 4.340 -0.000 0.000 0.213 160 L C 2.048 178.902 176.870 -0.026 0.000 1.072 160 L CA 1.954 56.777 54.840 -0.029 0.000 0.755 160 L CB -0.834 41.201 42.059 -0.041 0.000 0.888 160 L HN 0.367 nan 8.230 nan 0.000 0.432 161 I N 0.303 120.859 120.570 -0.024 0.000 2.151 161 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 161 I C -0.293 175.810 176.117 -0.023 0.000 1.080 161 I CA 1.496 62.780 61.300 -0.027 0.000 1.339 161 I CB -1.596 36.385 38.000 -0.032 0.000 1.039 161 I HN 0.270 nan 8.210 nan 0.000 0.409 162 P HA -0.158 nan 4.420 nan 0.000 0.216 162 P C 1.531 178.825 177.300 -0.011 0.000 1.153 162 P CA 1.182 64.273 63.100 -0.015 0.000 0.848 162 P CB -0.033 31.660 31.700 -0.011 0.000 0.787 163 Q N -0.878 118.917 119.800 -0.009 0.000 2.124 163 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 163 Q C 2.134 178.134 176.000 0.001 0.000 0.977 163 Q CA 1.077 56.879 55.803 -0.003 0.000 0.850 163 Q CB -1.356 27.380 28.738 -0.003 0.000 0.901 163 Q HN 0.234 nan 8.270 nan 0.000 0.429 164 L N 1.245 122.463 121.223 -0.008 0.000 2.017 164 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 164 L C 2.001 178.872 176.870 0.001 0.000 1.073 164 L CA 1.903 56.740 54.840 -0.005 0.000 0.745 164 L CB -0.425 41.623 42.059 -0.018 0.000 0.894 164 L HN -0.038 nan 8.230 nan 0.000 0.432 165 K N -1.091 119.304 120.400 -0.008 0.000 2.057 165 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 165 K C 1.946 178.546 176.600 -0.001 0.000 1.049 165 K CA 1.956 58.238 56.287 -0.009 0.000 0.931 165 K CB -0.538 31.951 32.500 -0.018 0.000 0.714 165 K HN 0.377 nan 8.250 nan 0.000 0.440 166 T N 1.212 115.767 114.554 0.001 0.000 2.746 166 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 166 T C 1.589 176.299 174.700 0.016 0.000 1.039 166 T CA 1.220 63.321 62.100 0.002 0.000 1.142 166 T CB -0.232 68.635 68.868 -0.002 0.000 0.866 166 T HN 0.080 nan 8.240 nan 0.000 0.444 167 L N 1.151 122.395 121.223 0.034 0.000 2.046 167 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 167 L C 2.437 179.352 176.870 0.075 0.000 1.077 167 L CA 1.835 56.717 54.840 0.069 0.000 0.747 167 L CB -1.267 40.850 42.059 0.098 0.000 0.896 167 L HN 0.178 nan 8.230 nan 0.000 0.432 168 T N -0.725 113.862 114.554 0.055 0.000 2.746 168 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 168 T C 1.793 176.517 174.700 0.040 0.000 1.039 168 T CA 1.524 63.657 62.100 0.056 0.000 1.142 168 T CB -0.264 68.623 68.868 0.031 0.000 0.866 168 T HN 0.401 nan 8.240 nan 0.000 0.444 169 Q N 0.581 120.392 119.800 0.019 0.000 2.124 169 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 169 Q C 2.346 178.346 176.000 0.000 0.000 0.977 169 Q CA 1.562 57.366 55.803 0.002 0.000 0.850 169 Q CB -0.557 28.177 28.738 -0.007 0.000 0.901 169 Q HN 0.479 nan 8.270 nan 0.000 0.429 170 T N 1.567 116.128 114.554 0.011 0.000 2.708 170 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 170 T C 1.980 176.691 174.700 0.019 0.000 1.037 170 T CA 1.072 63.175 62.100 0.005 0.000 1.146 170 T CB -0.176 68.697 68.868 0.009 0.000 0.865 170 T HN 0.237 nan 8.240 nan 0.000 0.435 171 L N 1.197 122.464 121.223 0.073 0.000 2.141 171 L HA -0.055 4.285 4.340 -0.000 0.000 0.209 171 L C 2.629 179.525 176.870 0.044 0.000 1.094 171 L CA 0.980 55.893 54.840 0.121 0.000 0.763 171 L CB -0.587 41.617 42.059 0.242 0.000 0.908 171 L HN 0.385 nan 8.230 nan 0.000 0.437 172 N N 0.227 118.939 118.700 0.020 0.000 2.188 172 N HA -0.205 4.535 4.740 -0.000 0.000 0.184 172 N C 1.641 177.113 175.510 -0.064 0.000 1.018 172 N CA 1.110 54.150 53.050 -0.016 0.000 0.858 172 N CB 0.180 38.660 38.487 -0.012 0.000 0.989 172 N HN 0.443 nan 8.380 nan 0.000 0.426 173 E N 0.372 120.528 120.200 -0.073 0.000 2.106 173 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 173 E C 1.912 178.377 176.600 -0.225 0.000 0.984 173 E CA 0.766 57.094 56.400 -0.120 0.000 0.806 173 E CB 0.154 29.795 29.700 -0.098 0.000 0.750 173 E HN 0.230 nan 8.360 nan 0.000 0.458 174 K N 0.656 120.914 120.400 -0.237 0.000 2.057 174 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 174 K C 2.462 178.766 176.600 -0.492 0.000 1.050 174 K CA 1.493 57.498 56.287 -0.470 0.000 0.935 174 K CB -0.544 31.843 32.500 -0.188 0.000 0.715 174 K HN 0.146 nan 8.250 nan 0.000 0.439 175 S N 1.218 116.788 115.700 -0.217 0.000 2.368 175 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 175 S C 2.200 176.713 174.600 -0.146 0.000 1.030 175 S CA 1.121 59.234 58.200 -0.145 0.000 0.999 175 S CB -0.300 62.841 63.200 -0.099 0.000 0.844 175 S HN 0.271 nan 8.310 nan 0.000 0.459 176 R N 1.551 121.956 120.500 -0.159 0.000 2.081 176 R HA 0.005 4.345 4.340 -0.000 0.000 0.235 176 R C 2.467 178.674 176.300 -0.154 0.000 1.131 176 R CA 1.318 57.344 56.100 -0.124 0.000 0.960 176 R CB -0.793 29.443 30.300 -0.107 0.000 0.856 176 R HN 0.534 nan 8.270 nan 0.000 0.436 177 A N 0.158 122.795 122.820 -0.304 0.000 1.969 177 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 177 A C 1.062 178.563 177.584 -0.139 0.000 1.169 177 A CA 0.894 52.729 52.037 -0.337 0.000 0.635 177 A CB -0.171 18.456 19.000 -0.621 0.000 0.810 177 A HN 0.354 nan 8.150 nan 0.000 0.445 178 F N -0.667 119.267 119.950 -0.026 0.000 2.684 178 F HA 0.476 5.003 4.527 -0.000 0.000 0.298 178 F C 1.968 177.744 175.800 -0.039 0.000 1.120 178 F CA -0.835 57.146 58.000 -0.031 0.000 1.332 178 F CB -0.969 38.008 39.000 -0.039 0.000 0.986 178 F HN 0.212 nan 8.300 nan 0.000 0.524 179 A N 0.476 123.347 122.820 0.085 0.000 2.076 179 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 179 A C 1.925 179.533 177.584 0.039 0.000 1.160 179 A CA 2.031 54.089 52.037 0.035 0.000 0.653 179 A CB -0.548 18.453 19.000 0.001 0.000 0.801 179 A HN 0.419 nan 8.150 nan 0.000 0.455 180 D N -0.938 119.496 120.400 0.058 0.000 2.369 180 D HA 0.111 4.751 4.640 -0.000 0.000 0.211 180 D C 0.217 176.539 176.300 0.036 0.000 1.077 180 D CA -0.189 53.835 54.000 0.040 0.000 0.842 180 D CB -0.290 40.533 40.800 0.037 0.000 0.947 180 D HN 0.437 nan 8.370 nan 0.000 0.509 181 I N 1.970 122.568 120.570 0.047 0.000 2.291 181 I HA 0.108 4.278 4.170 -0.000 0.000 0.292 181 I C -0.047 176.071 176.117 0.001 0.000 1.064 181 I CA -0.782 60.527 61.300 0.015 0.000 1.269 181 I CB 1.602 39.593 38.000 -0.013 0.000 1.418 181 I HN -0.289 nan 8.210 nan 0.000 0.485 182 V N 7.777 127.690 119.914 -0.001 0.000 2.508 182 V HA 0.192 4.312 4.120 -0.000 0.000 0.281 182 V C 0.356 176.445 176.094 -0.009 0.000 1.041 182 V CA -0.175 62.123 62.300 -0.004 0.000 1.016 182 V CB 0.600 32.423 31.823 0.000 0.000 0.984 182 V HN 0.788 nan 8.190 nan 0.000 0.478 183 K N 4.031 124.425 120.400 -0.010 0.000 2.433 183 K HA 0.775 5.095 4.320 -0.000 0.000 0.252 183 K C -1.007 175.592 176.600 -0.002 0.000 1.015 183 K CA -1.150 55.132 56.287 -0.008 0.000 0.860 183 K CB 1.965 34.457 32.500 -0.013 0.000 1.359 183 K HN 0.325 nan 8.250 nan 0.000 0.452 184 I N 1.602 122.173 120.570 0.003 0.000 2.441 184 I HA 0.250 4.420 4.170 -0.000 0.000 0.287 184 I C 0.246 176.366 176.117 0.006 0.000 1.049 184 I CA 0.464 61.767 61.300 0.005 0.000 1.381 184 I CB 0.924 38.928 38.000 0.007 0.000 1.409 184 I HN 0.765 nan 8.210 nan 0.000 0.523 185 G N 7.008 115.811 108.800 0.005 0.000 2.539 185 G HA2 0.509 4.469 3.960 -0.000 0.000 0.258 185 G HA3 0.509 4.469 3.960 -0.000 0.000 0.258 185 G C -0.615 174.291 174.900 0.009 0.000 1.202 185 G CA -0.655 44.449 45.100 0.007 0.000 0.851 185 G HN 0.647 nan 8.290 nan 0.000 0.556 186 R N -0.162 120.345 120.500 0.010 0.000 2.538 186 R HA 0.499 4.839 4.340 -0.000 0.000 0.292 186 R C -0.916 175.388 176.300 0.008 0.000 1.008 186 R CA -0.637 55.468 56.100 0.007 0.000 0.896 186 R CB 2.201 32.497 30.300 -0.007 0.000 1.187 186 R HN 0.726 nan 8.270 nan 0.000 0.440 187 T N -1.153 113.424 114.554 0.039 0.000 2.881 187 T HA 0.297 4.647 4.350 -0.000 0.000 0.290 187 T C 0.319 175.110 174.700 0.152 0.000 1.000 187 T CA -0.732 61.396 62.100 0.046 0.000 0.978 187 T CB 1.005 69.943 68.868 0.117 0.000 0.997 187 T HN 0.868 nan 8.240 nan 0.000 0.443 188 H N 1.479 120.524 119.070 -0.041 0.000 3.047 188 H HA -0.154 4.402 4.556 -0.000 0.000 0.263 188 H C 0.431 175.717 175.328 -0.069 0.000 1.168 188 H CA 0.560 56.579 56.048 -0.049 0.000 1.152 188 H CB -1.100 28.641 29.762 -0.035 0.000 1.278 188 H HN 0.702 nan 8.280 nan 0.000 0.339 189 L N -2.264 118.958 121.223 -0.002 0.000 5.044 189 L HA -0.237 4.103 4.340 -0.000 0.000 0.412 189 L C 0.672 177.524 176.870 -0.029 0.000 0.971 189 L CA 1.490 56.292 54.840 -0.064 0.000 1.411 189 L CB -1.015 40.975 42.059 -0.114 0.000 1.884 189 L HN 0.373 nan 8.230 nan 0.000 0.631 190 Q N 0.447 120.256 119.800 0.016 0.000 2.214 190 Q HA 0.371 4.711 4.340 -0.000 0.000 0.251 190 Q C -0.090 175.911 176.000 0.002 0.000 0.936 190 Q CA -0.675 55.130 55.803 0.003 0.000 0.894 190 Q CB 0.983 29.721 28.738 0.000 0.000 1.252 190 Q HN 0.120 nan 8.270 nan 0.000 0.448 191 D N 0.932 121.325 120.400 -0.012 0.000 2.493 191 D HA 0.289 4.929 4.640 -0.000 0.000 0.240 191 D C -0.277 176.021 176.300 -0.004 0.000 1.142 191 D CA 0.379 54.373 54.000 -0.010 0.000 0.872 191 D CB 0.682 41.469 40.800 -0.022 0.000 1.173 191 D HN 0.550 nan 8.370 nan 0.000 0.467 192 A N 1.728 124.551 122.820 0.005 0.000 2.686 192 A HA 0.736 5.056 4.320 -0.000 0.000 0.263 192 A C 0.011 177.598 177.584 0.006 0.000 1.264 192 A CA -0.625 51.418 52.037 0.010 0.000 0.799 192 A CB 0.401 19.416 19.000 0.026 0.000 1.363 192 A HN 0.485 nan 8.150 nan 0.000 0.507 193 T N 0.397 114.955 114.554 0.007 0.000 2.898 193 T HA 0.513 4.863 4.350 -0.000 0.000 0.301 193 T C -2.273 172.429 174.700 0.003 0.000 1.049 193 T CA -1.010 61.092 62.100 0.004 0.000 1.095 193 T CB 0.387 69.258 68.868 0.004 0.000 0.976 193 T HN 0.498 nan 8.240 nan 0.000 0.539 194 P HA 0.434 nan 4.420 nan 0.000 0.272 194 P C -0.507 176.791 177.300 -0.004 0.000 1.240 194 P CA -0.568 62.532 63.100 -0.001 0.000 0.791 194 P CB 0.631 32.331 31.700 -0.000 0.000 0.978 195 L N -2.186 119.033 121.223 -0.007 0.000 2.775 195 L HA 0.652 4.992 4.340 -0.000 0.000 0.263 195 L C -0.550 176.311 176.870 -0.015 0.000 1.017 195 L CA -0.972 53.861 54.840 -0.012 0.000 0.891 195 L CB 1.715 43.764 42.059 -0.018 0.000 1.482 195 L HN 0.409 nan 8.230 nan 0.000 0.410 196 T N -1.034 113.509 114.554 -0.018 0.000 2.899 196 T HA 0.336 4.686 4.350 -0.000 0.000 0.284 196 T C 0.819 175.502 174.700 -0.028 0.000 1.004 196 T CA -0.464 61.628 62.100 -0.014 0.000 1.043 196 T CB 1.557 70.424 68.868 -0.001 0.000 1.013 196 T HN 0.711 nan 8.240 nan 0.000 0.518 197 L N 2.597 123.811 121.223 -0.014 0.000 2.083 197 L HA 0.180 4.520 4.340 -0.000 0.000 0.209 197 L C 2.489 179.340 176.870 -0.031 0.000 1.083 197 L CA 2.369 57.192 54.840 -0.027 0.000 0.752 197 L CB -1.359 40.693 42.059 -0.011 0.000 0.899 197 L HN 1.000 nan 8.230 nan 0.000 0.433 198 G N -1.528 107.286 108.800 0.024 0.000 2.418 198 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 198 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 198 G C 1.466 176.316 174.900 -0.084 0.000 1.158 198 G CA 0.740 45.832 45.100 -0.012 0.000 0.771 198 G HN 0.524 nan 8.290 nan 0.000 0.545 199 Q N -0.323 119.433 119.800 -0.074 0.000 2.079 199 Q HA -0.063 4.277 4.340 -0.000 0.000 0.200 199 Q C 2.423 178.335 176.000 -0.147 0.000 0.974 199 Q CA 1.264 57.016 55.803 -0.084 0.000 0.840 199 Q CB -0.149 28.558 28.738 -0.053 0.000 0.898 199 Q HN 0.666 nan 8.270 nan 0.000 0.430 200 E N 0.805 120.890 120.200 -0.191 0.000 2.085 200 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 200 E C 1.861 178.070 176.600 -0.653 0.000 0.994 200 E CA 0.965 57.182 56.400 -0.305 0.000 0.801 200 E CB -0.020 29.528 29.700 -0.253 0.000 0.743 200 E HN 0.337 nan 8.360 nan 0.000 0.453 201 I N 1.029 121.186 120.570 -0.689 0.000 2.394 201 I HA -0.221 3.949 4.170 -0.000 0.000 0.251 201 I C 2.588 178.476 176.117 -0.382 0.000 1.136 201 I CA 1.046 61.821 61.300 -0.876 0.000 1.425 201 I CB -0.328 37.386 38.000 -0.476 0.000 1.079 201 I HN 0.184 nan 8.210 nan 0.000 0.425 202 S N 1.003 116.572 115.700 -0.219 0.000 2.419 202 S HA -0.111 4.359 4.470 -0.000 0.000 0.233 202 S C 2.121 176.703 174.600 -0.029 0.000 1.016 202 S CA 1.074 59.225 58.200 -0.082 0.000 0.974 202 S CB -1.048 62.117 63.200 -0.059 0.000 0.786 202 S HN 0.485 nan 8.310 nan 0.000 0.492 203 G N 0.683 109.434 108.800 -0.081 0.000 2.402 203 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 203 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 203 G C 1.144 176.162 174.900 0.197 0.000 1.162 203 G CA 0.761 45.882 45.100 0.035 0.000 0.777 203 G HN 0.568 nan 8.290 nan 0.000 0.539 204 W N 0.737 122.070 121.300 0.054 0.000 2.358 204 W HA 0.007 4.667 4.660 -0.000 0.000 0.303 204 W C 2.550 179.102 176.519 0.056 0.000 1.208 204 W CA 0.358 57.737 57.345 0.057 0.000 1.274 204 W CB -1.381 28.123 29.460 0.074 0.000 1.138 204 W HN 0.055 nan 8.180 nan 0.000 0.515 205 V N 1.178 121.252 119.914 0.266 0.000 2.287 205 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 205 V C 2.586 178.760 176.094 0.133 0.000 1.053 205 V CA 2.550 64.946 62.300 0.160 0.000 1.027 205 V CB -1.651 30.226 31.823 0.089 0.000 0.646 205 V HN 0.146 nan 8.190 nan 0.000 0.447 206 A N -0.732 122.171 122.820 0.140 0.000 1.933 206 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 206 A C 2.226 179.979 177.584 0.281 0.000 1.175 206 A CA 2.289 54.434 52.037 0.180 0.000 0.628 206 A CB -0.510 18.603 19.000 0.189 0.000 0.814 206 A HN 0.521 nan 8.150 nan 0.000 0.444 207 M N -0.607 119.126 119.600 0.222 0.000 2.086 207 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 207 M C 2.065 178.465 176.300 0.167 0.000 1.067 207 M CA 1.473 56.885 55.300 0.188 0.000 1.116 207 M CB -0.488 32.198 32.600 0.143 0.000 1.348 207 M HN 0.369 nan 8.290 nan 0.000 0.407 208 L N -0.451 120.850 121.223 0.131 0.000 2.093 208 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 208 L C 2.271 179.177 176.870 0.059 0.000 1.085 208 L CA 1.310 56.199 54.840 0.082 0.000 0.755 208 L CB -0.778 41.325 42.059 0.073 0.000 0.904 208 L HN 0.364 nan 8.230 nan 0.000 0.435 209 E N -0.840 119.388 120.200 0.047 0.000 2.077 209 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 209 E C 2.168 178.721 176.600 -0.078 0.000 0.989 209 E CA 0.916 57.293 56.400 -0.039 0.000 0.800 209 E CB -0.109 29.541 29.700 -0.083 0.000 0.746 209 E HN 0.541 nan 8.360 nan 0.000 0.452 210 H N 0.634 119.707 119.070 0.005 0.000 2.353 210 H HA -0.035 4.521 4.556 -0.000 0.000 0.300 210 H C 2.003 177.357 175.328 0.043 0.000 1.090 210 H CA 1.002 57.053 56.048 0.006 0.000 1.327 210 H CB 0.021 29.832 29.762 0.082 0.000 1.383 210 H HN 0.178 nan 8.280 nan 0.000 0.508 211 N N 0.942 119.766 118.700 0.207 0.000 2.166 211 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 211 N C 2.188 177.732 175.510 0.056 0.000 1.019 211 N CA 0.586 53.732 53.050 0.160 0.000 0.856 211 N CB -0.315 38.220 38.487 0.080 0.000 0.993 211 N HN 0.192 nan 8.380 nan 0.000 0.426 212 L N 2.625 123.839 121.223 -0.014 0.000 2.012 212 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 212 L C 2.362 179.133 176.870 -0.164 0.000 1.073 212 L CA 1.857 56.653 54.840 -0.074 0.000 0.748 212 L CB -0.655 41.355 42.059 -0.081 0.000 0.891 212 L HN 0.196 nan 8.230 nan 0.000 0.431 213 K N -2.383 117.860 120.400 -0.262 0.000 2.097 213 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 213 K C 2.046 178.215 176.600 -0.719 0.000 1.049 213 K CA 1.603 57.561 56.287 -0.549 0.000 0.933 213 K CB -0.828 31.330 32.500 -0.570 0.000 0.717 213 K HN 0.436 nan 8.250 nan 0.000 0.442 214 H N 1.124 120.052 119.070 -0.236 0.000 2.353 214 H HA -0.008 4.548 4.556 -0.000 0.000 0.300 214 H C 2.265 177.578 175.328 -0.025 0.000 1.090 214 H CA 1.659 57.695 56.048 -0.020 0.000 1.327 214 H CB -0.139 29.663 29.762 0.067 0.000 1.383 214 H HN 0.219 nan 8.280 nan 0.000 0.508 215 I N 0.835 121.434 120.570 0.048 0.000 2.252 215 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 215 I C 2.315 178.427 176.117 -0.010 0.000 1.102 215 I CA 1.160 62.475 61.300 0.024 0.000 1.385 215 I CB -0.177 37.818 38.000 -0.008 0.000 1.064 215 I HN 0.224 nan 8.210 nan 0.000 0.414 216 E N -0.074 120.057 120.200 -0.116 0.000 2.153 216 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 216 E C 2.020 178.610 176.600 -0.017 0.000 0.988 216 E CA 1.152 57.482 56.400 -0.117 0.000 0.811 216 E CB -0.085 29.490 29.700 -0.209 0.000 0.746 216 E HN 0.482 nan 8.360 nan 0.000 0.466 217 Y N 0.516 120.832 120.300 0.026 0.000 2.421 217 Y HA -0.128 4.422 4.550 -0.000 0.000 0.292 217 Y C 2.627 178.559 175.900 0.053 0.000 1.136 217 Y CA 1.081 59.203 58.100 0.036 0.000 1.255 217 Y CB -0.500 37.993 38.460 0.055 0.000 0.991 217 Y HN 0.057 nan 8.280 nan 0.000 0.552 218 S N -1.156 114.667 115.700 0.205 0.000 2.528 218 S HA 0.016 4.486 4.470 -0.000 0.000 0.219 218 S C 1.759 176.417 174.600 0.097 0.000 0.985 218 S CA 0.098 58.389 58.200 0.152 0.000 0.914 218 S CB -0.686 62.596 63.200 0.137 0.000 0.776 218 S HN 0.408 nan 8.310 nan 0.000 0.526 219 L N 1.171 122.435 121.223 0.069 0.000 2.046 219 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 219 L C -0.608 176.275 176.870 0.021 0.000 1.077 219 L CA 1.124 55.975 54.840 0.019 0.000 0.747 219 L CB -1.970 40.083 42.059 -0.011 0.000 0.896 219 L HN 0.246 nan 8.230 nan 0.000 0.432 220 P HA -0.205 nan 4.420 nan 0.000 0.216 220 P C 1.473 178.840 177.300 0.112 0.000 1.153 220 P CA 1.452 64.587 63.100 0.058 0.000 0.858 220 P CB -0.052 31.683 31.700 0.058 0.000 0.789 221 H N -0.493 118.581 119.070 0.006 0.000 2.389 221 H HA -0.032 4.524 4.556 -0.000 0.000 0.299 221 H C 1.645 176.948 175.328 -0.041 0.000 1.081 221 H CA 1.048 57.101 56.048 0.007 0.000 1.345 221 H CB -0.776 28.994 29.762 0.014 0.000 1.393 221 H HN -0.141 nan 8.280 nan 0.000 0.520 222 V N 0.671 120.547 119.914 -0.062 0.000 2.626 222 V HA -0.136 3.984 4.120 -0.000 0.000 0.252 222 V C 2.677 178.701 176.094 -0.116 0.000 1.067 222 V CA 1.269 63.350 62.300 -0.365 0.000 1.081 222 V CB -1.099 30.524 31.823 -0.332 0.000 0.686 222 V HN 0.548 nan 8.190 nan 0.000 0.468 223 A N -0.528 122.317 122.820 0.042 0.000 2.168 223 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 223 A C 1.033 178.799 177.584 0.304 0.000 1.152 223 A CA 0.354 52.480 52.037 0.149 0.000 0.716 223 A CB -0.372 18.624 19.000 -0.007 0.000 0.794 223 A HN 0.630 nan 8.150 nan 0.000 0.465 224 E N 0.240 120.608 120.200 0.280 0.000 2.290 224 E HA 0.393 4.743 4.350 -0.000 0.000 0.277 224 E C -0.977 175.788 176.600 0.275 0.000 1.035 224 E CA -0.110 56.448 56.400 0.263 0.000 0.873 224 E CB 0.716 30.575 29.700 0.265 0.000 1.029 224 E HN 0.398 nan 8.360 nan 0.000 0.419 225 L N 1.814 123.120 121.223 0.138 0.000 2.325 225 L HA 0.358 4.698 4.340 -0.000 0.000 0.278 225 L C 1.020 177.866 176.870 -0.041 0.000 1.023 225 L CA -0.517 54.330 54.840 0.012 0.000 0.811 225 L CB 1.519 43.546 42.059 -0.054 0.000 1.249 225 L HN 0.638 nan 8.230 nan 0.000 0.431 226 A N 3.296 126.052 122.820 -0.107 0.000 2.072 226 A HA 0.123 4.443 4.320 -0.000 0.000 0.216 226 A C 1.015 178.564 177.584 -0.058 0.000 1.156 226 A CA 0.069 52.050 52.037 -0.093 0.000 0.701 226 A CB -0.122 18.804 19.000 -0.123 0.000 0.816 226 A HN 0.628 nan 8.150 nan 0.000 0.458 227 L N 0.253 121.445 121.223 -0.053 0.000 2.737 227 L HA 0.081 4.421 4.340 -0.000 0.000 0.279 227 L C 1.426 178.333 176.870 0.061 0.000 1.200 227 L CA 1.291 56.134 54.840 0.005 0.000 0.952 227 L CB 0.063 42.099 42.059 -0.040 0.000 1.240 227 L HN 0.632 nan 8.230 nan 0.000 0.486 228 G N 2.455 111.349 108.800 0.156 0.000 2.284 228 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.201 228 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.201 228 G C 0.836 175.768 174.900 0.053 0.000 0.998 228 G CA 0.064 45.285 45.100 0.203 0.000 0.651 228 G HN 0.838 nan 8.290 nan 0.000 0.489 229 G N -0.744 108.048 108.800 -0.014 0.000 2.448 229 G HA2 0.337 4.297 3.960 -0.000 0.000 0.218 229 G HA3 0.337 4.297 3.960 -0.000 0.000 0.218 229 G C 1.077 175.939 174.900 -0.063 0.000 1.135 229 G CA 2.035 47.079 45.100 -0.093 0.000 0.784 229 G HN 1.555 nan 8.290 nan 0.000 0.543 230 T N -1.371 113.169 114.554 -0.024 0.000 2.713 230 T HA -0.298 4.052 4.350 -0.000 0.000 0.765 230 T C 1.945 176.638 174.700 -0.012 0.000 1.011 230 T CA 1.569 63.657 62.100 -0.020 0.000 4.029 230 T CB -1.384 67.465 68.868 -0.031 0.000 2.320 230 T HN 1.104 nan 8.240 nan 0.000 0.392 231 A N -0.068 122.751 122.820 -0.003 0.000 1.865 231 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 231 A C 2.224 179.826 177.584 0.031 0.000 1.191 231 A CA 3.954 55.998 52.037 0.013 0.000 0.623 231 A CB -0.668 18.341 19.000 0.014 0.000 0.826 231 A HN 1.726 nan 8.150 nan 0.000 0.444 232 V N -5.801 114.140 119.914 0.045 0.000 3.432 232 V HA 0.633 4.753 4.120 -0.000 0.000 0.298 232 V C 1.159 177.313 176.094 0.100 0.000 1.464 232 V CA 0.722 63.081 62.300 0.098 0.000 1.046 232 V CB -0.368 31.536 31.823 0.136 0.000 0.887 232 V HN 1.602 nan 8.190 nan 0.000 0.441 233 G N 1.361 110.126 108.800 -0.058 0.000 2.218 233 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.216 233 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.216 233 G C 0.984 175.629 174.900 -0.425 0.000 0.994 233 G CA 0.887 45.750 45.100 -0.395 0.000 0.637 233 G HN 0.987 nan 8.290 nan 0.000 0.505 234 T N -1.105 113.436 114.554 -0.022 0.000 3.023 234 T HA 0.371 4.721 4.350 -0.000 0.000 0.266 234 T C 2.514 177.222 174.700 0.013 0.000 1.093 234 T CA 1.814 63.969 62.100 0.091 0.000 1.129 234 T CB -0.080 68.882 68.868 0.158 0.000 0.899 234 T HN 2.242 nan 8.240 nan 0.000 0.491 235 G N 0.963 109.749 108.800 -0.023 0.000 2.143 235 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 235 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 235 G C -0.079 174.815 174.900 -0.010 0.000 0.991 235 G CA 0.043 45.133 45.100 -0.016 0.000 0.689 235 G HN 0.789 nan 8.290 nan 0.000 0.522 236 L N 0.512 121.734 121.223 -0.000 0.000 2.525 236 L HA 0.445 4.785 4.340 -0.000 0.000 0.278 236 L C 0.902 177.757 176.870 -0.025 0.000 1.218 236 L CA 1.119 55.958 54.840 -0.003 0.000 0.878 236 L CB -0.118 41.947 42.059 0.009 0.000 1.127 236 L HN 0.412 nan 8.230 nan 0.000 0.492 237 N N 1.165 119.848 118.700 -0.028 0.000 2.815 237 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 237 N C -0.454 175.008 175.510 -0.081 0.000 1.114 237 N CA 1.086 54.109 53.050 -0.045 0.000 0.717 237 N CB -1.955 36.505 38.487 -0.045 0.000 1.074 237 N HN 1.016 nan 8.380 nan 0.000 0.555 238 T N -4.032 110.481 114.554 -0.069 0.000 2.916 238 T HA 0.423 4.773 4.350 -0.000 0.000 0.305 238 T C -0.375 174.329 174.700 0.006 0.000 1.119 238 T CA -0.810 61.227 62.100 -0.104 0.000 1.008 238 T CB 2.432 71.216 68.868 -0.141 0.000 1.129 238 T HN 0.245 nan 8.240 nan 0.000 0.480 239 H N 4.246 123.294 119.070 -0.036 0.000 2.848 239 H HA 0.285 4.841 4.556 -0.000 0.000 0.341 239 H C -1.167 174.207 175.328 0.077 0.000 1.060 239 H CA -0.988 55.080 56.048 0.033 0.000 1.444 239 H CB 1.065 30.865 29.762 0.062 0.000 1.446 239 H HN 0.386 nan 8.280 nan 0.000 0.583 240 P HA -0.241 nan 4.420 nan 0.000 0.217 240 P C 0.361 177.634 177.300 -0.045 0.000 1.151 240 P CA 1.687 64.663 63.100 -0.207 0.000 0.849 240 P CB 0.308 31.840 31.700 -0.279 0.000 0.787 241 E N -2.187 118.037 120.200 0.040 0.000 2.481 241 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 241 E C 1.898 178.642 176.600 0.239 0.000 1.047 241 E CA -0.118 56.405 56.400 0.204 0.000 0.867 241 E CB -0.473 29.405 29.700 0.297 0.000 0.858 241 E HN 0.276 nan 8.360 nan 0.000 0.513 242 Y N 1.895 122.310 120.300 0.192 0.000 2.081 242 Y HA -0.341 4.209 4.550 -0.000 0.000 0.280 242 Y C 2.341 178.269 175.900 0.047 0.000 1.163 242 Y CA 1.933 60.097 58.100 0.107 0.000 1.135 242 Y CB -0.367 38.152 38.460 0.097 0.000 0.970 242 Y HN 0.036 nan 8.280 nan 0.000 0.498 243 A N 0.206 123.073 122.820 0.078 0.000 1.908 243 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 243 A C 2.244 179.778 177.584 -0.085 0.000 1.181 243 A CA 2.002 54.021 52.037 -0.030 0.000 0.627 243 A CB -0.690 18.339 19.000 0.049 0.000 0.818 243 A HN 0.411 nan 8.150 nan 0.000 0.445 244 R N 0.008 120.488 120.500 -0.033 0.000 2.066 244 R HA 0.019 4.359 4.340 -0.000 0.000 0.232 244 R C 2.262 178.530 176.300 -0.054 0.000 1.131 244 R CA 1.601 57.686 56.100 -0.026 0.000 0.955 244 R CB -0.732 29.572 30.300 0.005 0.000 0.851 244 R HN 0.615 nan 8.270 nan 0.000 0.432 245 R N -0.701 119.757 120.500 -0.070 0.000 2.083 245 R HA -0.092 4.248 4.340 -0.000 0.000 0.237 245 R C 2.253 178.464 176.300 -0.148 0.000 1.137 245 R CA 1.577 57.625 56.100 -0.086 0.000 0.951 245 R CB -0.767 29.492 30.300 -0.069 0.000 0.851 245 R HN 0.089 nan 8.270 nan 0.000 0.434 246 V N 0.732 120.476 119.914 -0.282 0.000 2.515 246 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 246 V C 2.122 178.108 176.094 -0.180 0.000 1.058 246 V CA 1.915 64.031 62.300 -0.307 0.000 1.064 246 V CB -0.226 31.256 31.823 -0.568 0.000 0.675 246 V HN 0.431 nan 8.190 nan 0.000 0.461 247 A N -0.585 122.154 122.820 -0.135 0.000 1.898 247 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 247 A C 1.973 179.555 177.584 -0.002 0.000 1.181 247 A CA 1.823 53.827 52.037 -0.056 0.000 0.620 247 A CB -0.635 18.357 19.000 -0.014 0.000 0.819 247 A HN 0.595 nan 8.150 nan 0.000 0.442 248 D N -0.506 119.884 120.400 -0.016 0.000 2.097 248 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 248 D C 1.915 178.218 176.300 0.005 0.000 0.989 248 D CA 1.689 55.692 54.000 0.006 0.000 0.827 248 D CB -0.326 40.470 40.800 -0.006 0.000 0.966 248 D HN 0.540 nan 8.370 nan 0.000 0.456 249 E N 0.548 120.731 120.200 -0.029 0.000 2.058 249 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 249 E C 1.967 178.561 176.600 -0.010 0.000 0.997 249 E CA 0.613 56.997 56.400 -0.028 0.000 0.801 249 E CB -0.402 29.263 29.700 -0.058 0.000 0.746 249 E HN 0.050 nan 8.360 nan 0.000 0.450 250 L N 0.302 121.509 121.223 -0.027 0.000 2.046 250 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 250 L C 2.307 179.260 176.870 0.139 0.000 1.077 250 L CA 2.023 56.850 54.840 -0.022 0.000 0.747 250 L CB -1.445 40.508 42.059 -0.177 0.000 0.896 250 L HN 0.270 nan 8.230 nan 0.000 0.432 251 A N -1.344 121.589 122.820 0.187 0.000 1.902 251 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 251 A C 2.379 180.032 177.584 0.115 0.000 1.181 251 A CA 1.922 54.091 52.037 0.219 0.000 0.623 251 A CB -0.902 18.181 19.000 0.139 0.000 0.818 251 A HN 0.231 nan 8.150 nan 0.000 0.443 252 V N 1.152 121.107 119.914 0.068 0.000 2.233 252 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 252 V C 2.547 178.665 176.094 0.040 0.000 1.050 252 V CA 2.182 64.505 62.300 0.040 0.000 1.010 252 V CB -0.888 30.947 31.823 0.021 0.000 0.637 252 V HN 0.772 nan 8.190 nan 0.000 0.444 253 I N -0.030 120.563 120.570 0.039 0.000 2.614 253 I HA -0.118 4.052 4.170 -0.000 0.000 0.258 253 I C 2.123 178.270 176.117 0.050 0.000 1.189 253 I CA 1.947 63.266 61.300 0.032 0.000 1.462 253 I CB -0.780 37.229 38.000 0.014 0.000 1.092 253 I HN 0.502 nan 8.210 nan 0.000 0.442 254 T N -3.600 111.010 114.554 0.093 0.000 3.014 254 T HA 0.153 4.503 4.350 -0.000 0.000 0.250 254 T C 1.113 175.862 174.700 0.082 0.000 1.060 254 T CA 0.551 62.723 62.100 0.120 0.000 1.040 254 T CB -0.548 68.477 68.868 0.261 0.000 0.971 254 T HN 0.502 nan 8.240 nan 0.000 0.497 255 C N 1.432 120.769 119.300 0.061 0.000 4.417 255 C HA 0.066 4.526 4.460 -0.000 0.000 0.284 255 C C 1.055 176.032 174.990 -0.023 0.000 1.379 255 C CA -0.227 58.802 59.018 0.019 0.000 1.918 255 C CB -2.834 24.911 27.740 0.009 0.000 1.280 255 C HN 1.040 nan 8.230 nan 0.000 0.783 256 A N 0.611 123.404 122.820 -0.044 0.000 2.340 256 A HA 0.787 5.107 4.320 -0.000 0.000 0.331 256 A C -1.697 175.713 177.584 -0.291 0.000 1.140 256 A CA -1.311 50.580 52.037 -0.243 0.000 0.801 256 A CB 0.930 19.648 19.000 -0.471 0.000 1.234 256 A HN 0.249 nan 8.150 nan 0.000 0.469 257 P HA 0.170 nan 4.420 nan 0.000 0.226 257 P C -0.890 176.293 177.300 -0.196 0.000 1.783 257 P CA 0.084 63.068 63.100 -0.194 0.000 0.980 257 P CB -0.700 30.917 31.700 -0.138 0.000 1.967 258 F N 1.405 121.356 119.950 0.002 0.000 2.459 258 F HA 0.219 4.746 4.527 -0.000 0.000 0.346 258 F C 1.383 177.185 175.800 0.004 0.000 1.128 258 F CA -0.105 57.898 58.000 0.006 0.000 1.268 258 F CB 0.763 39.763 39.000 -0.001 0.000 1.161 258 F HN 0.034 nan 8.300 nan 0.000 0.583 259 V N -1.067 118.984 119.914 0.228 0.000 3.078 259 V HA 0.587 4.707 4.120 -0.000 0.000 0.311 259 V C -0.380 175.776 176.094 0.103 0.000 1.138 259 V CA -0.915 61.458 62.300 0.122 0.000 1.007 259 V CB 1.387 33.259 31.823 0.082 0.000 1.045 259 V HN 0.682 nan 8.190 nan 0.000 0.432 260 T N 2.312 116.899 114.554 0.056 0.000 2.884 260 T HA 0.584 4.934 4.350 -0.000 0.000 0.298 260 T C 0.475 175.201 174.700 0.043 0.000 0.998 260 T CA 0.511 62.630 62.100 0.032 0.000 1.124 260 T CB 0.467 69.340 68.868 0.007 0.000 0.931 260 T HN 1.737 nan 8.240 nan 0.000 0.531 261 A N 7.054 129.898 122.820 0.040 0.000 2.524 261 A HA 0.324 4.644 4.320 -0.000 0.000 0.250 261 A C -1.201 176.399 177.584 0.027 0.000 1.078 261 A CA -1.008 51.060 52.037 0.051 0.000 0.761 261 A CB -0.127 18.899 19.000 0.044 0.000 1.012 261 A HN 0.698 nan 8.150 nan 0.000 0.500 262 P HA -0.101 nan 4.420 nan 0.000 0.216 262 P C 0.313 177.633 177.300 0.033 0.000 1.150 262 P CA 1.180 64.298 63.100 0.029 0.000 0.837 262 P CB 0.217 31.933 31.700 0.026 0.000 0.786 263 N N -0.502 118.222 118.700 0.040 0.000 2.524 263 N HA 0.060 4.800 4.740 -0.000 0.000 0.261 263 N C 0.570 176.071 175.510 -0.016 0.000 0.998 263 N CA -0.287 52.799 53.050 0.059 0.000 0.915 263 N CB 0.791 39.353 38.487 0.125 0.000 1.187 263 N HN -0.253 nan 8.380 nan 0.000 0.507 264 K N 2.530 122.813 120.400 -0.195 0.000 2.288 264 K HA -0.005 4.315 4.320 -0.000 0.000 0.201 264 K C 1.129 177.516 176.600 -0.354 0.000 1.048 264 K CA 0.872 56.969 56.287 -0.316 0.000 0.956 264 K CB -0.059 32.175 32.500 -0.443 0.000 0.746 264 K HN 0.480 nan 8.250 nan 0.000 0.461 265 F N 1.691 121.667 119.950 0.043 0.000 2.163 265 F HA -0.066 4.461 4.527 0.000 0.000 0.297 265 F C 2.521 178.352 175.800 0.052 0.000 1.094 265 F CA 0.929 58.957 58.000 0.047 0.000 1.290 265 F CB -0.467 38.560 39.000 0.045 0.000 1.017 265 F HN 0.090 nan 8.300 nan 0.000 0.483 266 E N 1.177 121.496 120.200 0.198 0.000 2.106 266 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 266 E C 2.280 178.944 176.600 0.107 0.000 0.984 266 E CA 1.152 57.642 56.400 0.150 0.000 0.806 266 E CB -0.216 29.571 29.700 0.145 0.000 0.750 266 E HN 0.304 nan 8.360 nan 0.000 0.458 267 A N 0.692 123.550 122.820 0.063 0.000 1.933 267 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 267 A C 2.191 179.767 177.584 -0.014 0.000 1.175 267 A CA 1.160 53.208 52.037 0.018 0.000 0.628 267 A CB -0.377 18.609 19.000 -0.024 0.000 0.814 267 A HN 0.275 nan 8.150 nan 0.000 0.444 268 L N -1.133 120.090 121.223 -0.001 0.000 2.168 268 L HA 0.157 4.497 4.340 -0.000 0.000 0.203 268 L C 2.753 179.658 176.870 0.058 0.000 1.078 268 L CA 1.572 56.421 54.840 0.015 0.000 0.780 268 L CB -0.552 41.514 42.059 0.011 0.000 0.939 268 L HN 0.326 nan 8.230 nan 0.000 0.451 269 A N -1.547 121.327 122.820 0.089 0.000 2.167 269 A HA 0.113 4.433 4.320 -0.000 0.000 0.214 269 A C 1.110 178.740 177.584 0.077 0.000 1.151 269 A CA 1.195 53.292 52.037 0.099 0.000 0.735 269 A CB -0.785 18.291 19.000 0.127 0.000 0.802 269 A HN 0.426 nan 8.150 nan 0.000 0.467 270 T N -6.296 108.299 114.554 0.068 0.000 2.838 270 T HA 0.405 4.755 4.350 -0.000 0.000 0.292 270 T C -0.358 174.368 174.700 0.044 0.000 1.113 270 T CA -0.255 61.879 62.100 0.056 0.000 1.008 270 T CB 1.471 70.378 68.868 0.065 0.000 1.259 270 T HN 0.083 nan 8.240 nan 0.000 0.520 271 C N 1.372 120.694 119.300 0.035 0.000 2.969 271 C HA 0.370 4.830 4.460 -0.000 0.000 0.260 271 C C 1.513 176.502 174.990 -0.003 0.000 1.618 271 C CA -0.517 58.515 59.018 0.024 0.000 1.774 271 C CB -1.531 26.228 27.740 0.033 0.000 3.063 271 C HN 0.921 nan 8.230 nan 0.000 0.506 272 D N 2.230 122.633 120.400 0.006 0.000 2.133 272 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 272 D C 2.192 178.424 176.300 -0.113 0.000 0.997 272 D CA 1.881 55.885 54.000 0.006 0.000 0.840 272 D CB -0.124 40.745 40.800 0.114 0.000 0.947 272 D HN 0.533 nan 8.370 nan 0.000 0.452 273 A N 0.382 122.969 122.820 -0.389 0.000 1.940 273 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 273 A C 2.377 179.782 177.584 -0.299 0.000 1.176 273 A CA 1.065 52.709 52.037 -0.654 0.000 0.631 273 A CB -0.695 17.781 19.000 -0.874 0.000 0.814 273 A HN 0.248 nan 8.150 nan 0.000 0.446 274 L N -0.821 120.264 121.223 -0.230 0.000 2.131 274 L HA -0.088 4.252 4.340 -0.000 0.000 0.206 274 L C 2.457 179.359 176.870 0.052 0.000 1.087 274 L CA 0.596 55.310 54.840 -0.211 0.000 0.767 274 L CB -0.493 41.385 42.059 -0.302 0.000 0.917 274 L HN 0.224 nan 8.230 nan 0.000 0.441 275 V N -0.427 119.510 119.914 0.038 0.000 2.343 275 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 275 V C 2.598 178.768 176.094 0.127 0.000 1.051 275 V CA 1.557 63.912 62.300 0.091 0.000 1.036 275 V CB -0.480 31.371 31.823 0.047 0.000 0.654 275 V HN 0.468 nan 8.190 nan 0.000 0.451 276 Q N -0.185 119.668 119.800 0.089 0.000 2.046 276 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 276 Q C 2.477 178.557 176.000 0.135 0.000 0.975 276 Q CA 1.902 57.768 55.803 0.105 0.000 0.836 276 Q CB -0.650 28.154 28.738 0.109 0.000 0.896 276 Q HN 0.638 nan 8.270 nan 0.000 0.428 277 A N 0.189 123.098 122.820 0.149 0.000 1.933 277 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 277 A C 1.868 179.619 177.584 0.279 0.000 1.175 277 A CA 1.920 54.087 52.037 0.216 0.000 0.628 277 A CB -0.810 18.332 19.000 0.236 0.000 0.814 277 A HN 0.440 nan 8.150 nan 0.000 0.444 278 H N -0.539 118.707 119.070 0.294 0.000 2.457 278 H HA 0.035 4.591 4.556 -0.000 0.000 0.294 278 H C 2.126 177.487 175.328 0.055 0.000 1.064 278 H CA 1.327 57.472 56.048 0.162 0.000 1.330 278 H CB -0.288 29.594 29.762 0.201 0.000 1.395 278 H HN 0.393 nan 8.280 nan 0.000 0.541 279 G N -0.173 108.703 108.800 0.127 0.000 2.440 279 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 279 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 279 G C 1.865 176.746 174.900 -0.032 0.000 1.154 279 G CA 0.739 45.868 45.100 0.049 0.000 0.767 279 G HN 0.544 nan 8.290 nan 0.000 0.552 280 A N 0.417 123.227 122.820 -0.017 0.000 1.930 280 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 280 A C 2.424 179.943 177.584 -0.108 0.000 1.175 280 A CA 1.093 53.108 52.037 -0.037 0.000 0.627 280 A CB -0.304 18.721 19.000 0.040 0.000 0.815 280 A HN 0.359 nan 8.150 nan 0.000 0.443 281 L N -0.331 120.769 121.223 -0.205 0.000 2.056 281 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 281 L C 2.578 179.266 176.870 -0.304 0.000 1.078 281 L CA 1.892 56.535 54.840 -0.328 0.000 0.749 281 L CB -0.513 41.185 42.059 -0.601 0.000 0.901 281 L HN 0.519 nan 8.230 nan 0.000 0.433 282 K N 0.545 120.767 120.400 -0.297 0.000 2.211 282 K HA -0.043 4.277 4.320 -0.000 0.000 0.203 282 K C 1.869 178.400 176.600 -0.114 0.000 1.050 282 K CA 1.349 57.538 56.287 -0.164 0.000 0.945 282 K CB -1.099 31.361 32.500 -0.065 0.000 0.732 282 K HN 0.130 nan 8.250 nan 0.000 0.451 283 G N 1.412 110.143 108.800 -0.115 0.000 2.402 283 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 283 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 283 G C 1.421 176.269 174.900 -0.087 0.000 1.162 283 G CA 0.758 45.798 45.100 -0.100 0.000 0.777 283 G HN 0.287 nan 8.290 nan 0.000 0.539 284 L N 1.466 122.633 121.223 -0.094 0.000 2.083 284 L HA 0.154 4.494 4.340 -0.000 0.000 0.209 284 L C 2.994 179.803 176.870 -0.100 0.000 1.083 284 L CA 2.107 56.898 54.840 -0.082 0.000 0.752 284 L CB -0.707 41.298 42.059 -0.090 0.000 0.899 284 L HN 0.227 nan 8.230 nan 0.000 0.433 285 A N -0.389 122.361 122.820 -0.117 0.000 1.902 285 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 285 A C 2.462 179.987 177.584 -0.098 0.000 1.181 285 A CA 1.822 53.792 52.037 -0.113 0.000 0.623 285 A CB -1.169 17.766 19.000 -0.107 0.000 0.818 285 A HN 0.587 nan 8.150 nan 0.000 0.443 286 A N -0.665 122.106 122.820 -0.082 0.000 1.933 286 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 286 A C 2.434 179.975 177.584 -0.072 0.000 1.175 286 A CA 2.021 54.017 52.037 -0.068 0.000 0.628 286 A CB -0.736 18.230 19.000 -0.056 0.000 0.814 286 A HN 0.454 nan 8.150 nan 0.000 0.444 287 S N -0.104 115.553 115.700 -0.072 0.000 2.355 287 S HA -0.048 4.422 4.470 -0.000 0.000 0.222 287 S C 1.828 176.358 174.600 -0.118 0.000 1.031 287 S CA 1.333 59.494 58.200 -0.066 0.000 0.993 287 S CB -0.437 62.742 63.200 -0.035 0.000 0.859 287 S HN 0.509 nan 8.310 nan 0.000 0.453 288 L N 0.695 121.830 121.223 -0.147 0.000 2.083 288 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 288 L C 2.553 179.269 176.870 -0.257 0.000 1.083 288 L CA 1.230 55.931 54.840 -0.231 0.000 0.752 288 L CB -0.462 41.460 42.059 -0.228 0.000 0.899 288 L HN 0.348 nan 8.230 nan 0.000 0.433 289 M N -0.138 119.356 119.600 -0.176 0.000 2.108 289 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 289 M C 2.312 178.533 176.300 -0.133 0.000 1.066 289 M CA 1.806 57.020 55.300 -0.143 0.000 1.107 289 M CB -0.250 32.296 32.600 -0.089 0.000 1.356 289 M HN -0.074 nan 8.290 nan 0.000 0.406 290 K N 0.510 120.838 120.400 -0.120 0.000 2.057 290 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 290 K C 1.868 178.357 176.600 -0.185 0.000 1.049 290 K CA 1.852 58.084 56.287 -0.092 0.000 0.931 290 K CB -0.551 31.919 32.500 -0.051 0.000 0.714 290 K HN 0.535 nan 8.250 nan 0.000 0.440 291 I N 0.852 121.217 120.570 -0.342 0.000 2.179 291 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 291 I C 2.485 178.256 176.117 -0.576 0.000 1.088 291 I CA 1.251 62.133 61.300 -0.696 0.000 1.357 291 I CB -0.382 37.194 38.000 -0.707 0.000 1.051 291 I HN 0.116 nan 8.210 nan 0.000 0.409 292 A N 0.839 123.396 122.820 -0.438 0.000 1.902 292 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 292 A C 2.090 179.601 177.584 -0.122 0.000 1.181 292 A CA 1.844 53.689 52.037 -0.320 0.000 0.623 292 A CB -0.649 18.141 19.000 -0.351 0.000 0.818 292 A HN 0.409 nan 8.150 nan 0.000 0.443 293 N N 0.407 119.067 118.700 -0.066 0.000 2.120 293 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 293 N C 1.190 176.838 175.510 0.231 0.000 1.024 293 N CA 1.540 54.657 53.050 0.112 0.000 0.852 293 N CB -0.451 38.138 38.487 0.171 0.000 1.003 293 N HN 0.417 nan 8.380 nan 0.000 0.424 294 D N 0.500 120.972 120.400 0.120 0.000 2.104 294 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 294 D C 2.130 178.580 176.300 0.251 0.000 0.994 294 D CA 0.592 54.732 54.000 0.234 0.000 0.830 294 D CB -0.392 40.594 40.800 0.309 0.000 0.959 294 D HN -0.021 nan 8.370 nan 0.000 0.452 295 V N 1.748 121.717 119.914 0.091 0.000 2.255 295 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 295 V C 2.525 178.700 176.094 0.136 0.000 1.051 295 V CA 2.371 64.761 62.300 0.150 0.000 1.018 295 V CB -0.594 31.302 31.823 0.123 0.000 0.641 295 V HN 0.302 nan 8.190 nan 0.000 0.445 296 R N -1.131 119.410 120.500 0.068 0.000 2.115 296 R HA -0.173 4.167 4.340 -0.000 0.000 0.230 296 R C 2.064 178.327 176.300 -0.062 0.000 1.111 296 R CA 1.862 57.941 56.100 -0.034 0.000 0.976 296 R CB -0.739 29.477 30.300 -0.141 0.000 0.870 296 R HN 0.530 nan 8.270 nan 0.000 0.445 297 W N 1.309 122.638 121.300 0.049 0.000 2.418 297 W HA 0.139 4.799 4.660 -0.000 0.000 0.292 297 W C 1.968 178.522 176.519 0.060 0.000 1.213 297 W CA 0.361 57.735 57.345 0.048 0.000 1.283 297 W CB -0.023 29.465 29.460 0.047 0.000 1.119 297 W HN -0.047 nan 8.180 nan 0.000 0.542 298 L N -0.261 121.146 121.223 0.305 0.000 2.201 298 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 298 L C 2.286 179.242 176.870 0.144 0.000 1.105 298 L CA 1.080 56.051 54.840 0.218 0.000 0.775 298 L CB -0.718 41.481 42.059 0.232 0.000 0.913 298 L HN -0.021 nan 8.230 nan 0.000 0.440 299 A N -0.671 122.217 122.820 0.114 0.000 2.308 299 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 299 A C 1.158 178.760 177.584 0.032 0.000 1.216 299 A CA 0.069 52.143 52.037 0.061 0.000 0.864 299 A CB -0.240 18.788 19.000 0.046 0.000 0.902 299 A HN 0.371 nan 8.150 nan 0.000 0.499 300 S N -0.586 115.138 115.700 0.041 0.000 2.558 300 S HA 0.532 5.002 4.470 -0.000 0.000 0.288 300 S C 0.598 175.215 174.600 0.028 0.000 1.318 300 S CA 0.312 58.514 58.200 0.004 0.000 1.056 300 S CB 1.007 64.221 63.200 0.024 0.000 0.853 300 S HN 1.581 nan 8.310 nan 0.000 0.505 301 G N 2.009 110.813 108.800 0.006 0.000 2.564 301 G HA2 0.281 4.241 3.960 -0.000 0.000 0.139 301 G HA3 0.281 4.241 3.960 -0.000 0.000 0.139 301 G C -2.328 172.573 174.900 0.002 0.000 1.147 301 G CA -0.119 44.990 45.100 0.014 0.000 1.031 301 G HN 0.590 nan 8.290 nan 0.000 0.482 302 P HA 0.165 nan 4.420 nan 0.000 0.231 302 P C 0.984 178.292 177.300 0.013 0.000 1.168 302 P CA 0.612 63.717 63.100 0.008 0.000 0.779 302 P CB 0.365 32.067 31.700 0.004 0.000 0.844 303 R N -0.833 119.676 120.500 0.015 0.000 2.257 303 R HA 0.185 4.525 4.340 -0.000 0.000 0.195 303 R C 1.172 177.487 176.300 0.025 0.000 0.921 303 R CA 0.557 56.667 56.100 0.017 0.000 1.069 303 R CB -0.507 29.801 30.300 0.013 0.000 1.115 303 R HN 0.174 nan 8.270 nan 0.000 0.571 304 C N 0.944 120.261 119.300 0.029 0.000 2.647 304 C HA 0.566 5.026 4.460 -0.000 0.000 0.296 304 C C 1.147 176.172 174.990 0.059 0.000 1.403 304 C CA -0.787 58.255 59.018 0.039 0.000 1.781 304 C CB -0.300 27.460 27.740 0.033 0.000 2.464 304 C HN 0.464 nan 8.230 nan 0.000 0.559 305 G N 0.270 109.110 108.800 0.067 0.000 3.302 305 G HA2 0.548 4.508 3.960 -0.000 0.000 0.170 305 G HA3 0.548 4.508 3.960 -0.000 0.000 0.170 305 G C 0.506 175.470 174.900 0.107 0.000 1.119 305 G CA -0.182 44.983 45.100 0.107 0.000 0.826 305 G HN 0.135 nan 8.290 nan 0.000 0.646 306 I N 0.338 120.986 120.570 0.131 0.000 2.685 306 I HA 0.212 4.382 4.170 -0.000 0.000 0.251 306 I C 2.048 178.211 176.117 0.077 0.000 1.102 306 I CA 0.865 62.231 61.300 0.110 0.000 1.442 306 I CB -0.068 38.022 38.000 0.150 0.000 1.194 306 I HN 0.705 nan 8.210 nan 0.000 0.448 307 G N 2.027 110.873 108.800 0.076 0.000 2.283 307 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 307 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 307 G C 0.573 175.493 174.900 0.034 0.000 1.029 307 G CA 0.646 45.775 45.100 0.048 0.000 0.840 307 G HN 0.507 nan 8.290 nan 0.000 0.505 308 E N -0.927 119.299 120.200 0.044 0.000 2.285 308 E HA 0.139 4.489 4.350 -0.000 0.000 0.194 308 E C 1.625 178.218 176.600 -0.010 0.000 0.997 308 E CA 1.107 57.517 56.400 0.017 0.000 0.845 308 E CB 0.129 29.846 29.700 0.029 0.000 0.782 308 E HN 0.929 nan 8.360 nan 0.000 0.491 309 I N -2.777 117.802 120.570 0.016 0.000 3.145 309 I HA 0.470 4.640 4.170 -0.000 0.000 0.313 309 I C -0.630 175.495 176.117 0.013 0.000 1.122 309 I CA -1.193 60.105 61.300 -0.003 0.000 0.987 309 I CB 2.375 40.400 38.000 0.041 0.000 1.236 309 I HN -0.265 nan 8.210 nan 0.000 0.453 310 S N 3.044 118.747 115.700 0.005 0.000 2.548 310 S HA 0.841 5.311 4.470 -0.000 0.000 0.286 310 S C -0.579 174.033 174.600 0.021 0.000 1.098 310 S CA -0.713 57.494 58.200 0.011 0.000 0.930 310 S CB 1.777 64.977 63.200 -0.000 0.000 1.070 310 S HN 0.838 nan 8.310 nan 0.000 0.480 311 I N -1.455 119.125 120.570 0.017 0.000 2.892 311 I HA 0.704 4.874 4.170 -0.000 0.000 0.306 311 I C -2.686 173.433 176.117 0.003 0.000 1.078 311 I CA -2.937 58.369 61.300 0.010 0.000 1.032 311 I CB 1.720 39.722 38.000 0.004 0.000 1.229 311 I HN 0.400 nan 8.210 nan 0.000 0.435 312 P HA 0.044 nan 4.420 nan 0.000 0.268 312 P C -0.933 176.368 177.300 0.003 0.000 1.205 312 P CA 0.104 63.207 63.100 0.005 0.000 0.771 312 P CB 0.802 32.509 31.700 0.010 0.000 0.858 313 E N 2.511 122.712 120.200 0.002 0.000 2.089 313 E HA 0.069 4.419 4.350 -0.000 0.000 0.284 313 E C 0.357 176.954 176.600 -0.005 0.000 1.023 313 E CA -0.453 55.945 56.400 -0.004 0.000 0.819 313 E CB 0.254 29.952 29.700 -0.004 0.000 1.076 313 E HN 0.247 nan 8.360 nan 0.000 0.396 314 N N 3.151 121.843 118.700 -0.013 0.000 2.432 314 N HA 0.003 4.743 4.740 -0.000 0.000 0.174 314 N C -0.506 174.982 175.510 -0.036 0.000 1.037 314 N CA 0.496 53.530 53.050 -0.027 0.000 0.892 314 N CB 0.390 38.845 38.487 -0.053 0.000 1.049 314 N HN 0.458 nan 8.380 nan 0.000 0.442 315 E N 1.237 121.419 120.200 -0.031 0.000 2.214 315 E HA 0.336 4.686 4.350 -0.000 0.000 0.274 315 E C -2.220 174.368 176.600 -0.020 0.000 0.977 315 E CA -1.863 54.520 56.400 -0.029 0.000 0.827 315 E CB 0.769 30.451 29.700 -0.030 0.000 1.130 315 E HN 0.096 nan 8.360 nan 0.000 0.394 316 P HA 0.172 nan 4.420 nan 0.000 0.268 316 P C -0.325 176.968 177.300 -0.012 0.000 1.205 316 P CA -0.237 62.855 63.100 -0.013 0.000 0.771 316 P CB 0.906 32.599 31.700 -0.012 0.000 0.858 317 G N 1.019 109.814 108.800 -0.010 0.000 2.568 317 G HA2 0.437 4.397 3.960 -0.000 0.000 0.313 317 G HA3 0.437 4.397 3.960 -0.000 0.000 0.313 317 G C -0.729 174.166 174.900 -0.008 0.000 1.227 317 G CA -0.617 44.477 45.100 -0.009 0.000 0.979 317 G HN 0.461 nan 8.290 nan 0.000 0.486 318 S N -0.179 115.517 115.700 -0.007 0.000 2.549 318 S HA 0.147 4.617 4.470 -0.000 0.000 0.283 318 S C 1.644 176.242 174.600 -0.005 0.000 1.320 318 S CA 0.010 58.206 58.200 -0.006 0.000 1.058 318 S CB 1.597 64.793 63.200 -0.006 0.000 0.882 318 S HN 0.706 nan 8.310 nan 0.000 0.498 319 S N 2.310 118.007 115.700 -0.004 0.000 2.370 319 S HA -0.068 4.402 4.470 -0.000 0.000 0.226 319 S C 1.435 176.034 174.600 -0.003 0.000 1.033 319 S CA 0.900 59.098 58.200 -0.003 0.000 1.011 319 S CB -0.285 62.914 63.200 -0.002 0.000 0.852 319 S HN 0.738 nan 8.310 nan 0.000 0.457 320 I N 0.112 120.680 120.570 -0.003 0.000 3.444 320 I HA 0.204 4.374 4.170 -0.000 0.000 0.287 320 I C 0.169 176.285 176.117 -0.002 0.000 1.302 320 I CA 0.596 61.895 61.300 -0.002 0.000 1.368 320 I CB 0.034 38.033 38.000 -0.002 0.000 1.048 320 I HN 0.313 nan 8.210 nan 0.000 0.487 321 M N 2.670 122.268 119.600 -0.003 0.000 2.944 321 M HA 0.317 4.797 4.480 -0.000 0.000 0.235 321 M C -2.474 173.824 176.300 -0.004 0.000 1.188 321 M CA -1.578 53.720 55.300 -0.004 0.000 0.688 321 M CB 0.831 33.428 32.600 -0.005 0.000 1.406 321 M HN -0.122 nan 8.290 nan 0.000 0.479 322 P HA 0.313 nan 4.420 nan 0.000 0.275 322 P C 0.754 178.052 177.300 -0.003 0.000 1.227 322 P CA 0.713 63.811 63.100 -0.003 0.000 0.781 322 P CB 1.459 33.158 31.700 -0.002 0.000 0.906 323 G N 2.562 111.360 108.800 -0.004 0.000 2.279 323 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.223 323 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.223 323 G C 0.291 175.187 174.900 -0.006 0.000 1.015 323 G CA 0.112 45.209 45.100 -0.004 0.000 0.621 323 G HN 0.715 nan 8.290 nan 0.000 0.506 324 K N 1.334 121.729 120.400 -0.008 0.000 2.228 324 K HA 0.514 4.834 4.320 -0.000 0.000 0.284 324 K C -0.313 176.278 176.600 -0.015 0.000 1.088 324 K CA -0.160 56.119 56.287 -0.013 0.000 0.941 324 K CB 0.450 32.942 32.500 -0.014 0.000 1.158 324 K HN 0.085 nan 8.250 nan 0.000 0.438 325 V N 5.433 125.337 119.914 -0.017 0.000 2.293 325 V HA 0.149 4.269 4.120 -0.000 0.000 0.275 325 V C -0.518 175.560 176.094 -0.026 0.000 1.021 325 V CA -1.176 61.114 62.300 -0.017 0.000 0.815 325 V CB 0.851 32.667 31.823 -0.011 0.000 1.025 325 V HN 0.747 nan 8.190 nan 0.000 0.448 326 N N 6.926 125.608 118.700 -0.029 0.000 2.497 326 N HA 0.189 4.929 4.740 -0.000 0.000 0.268 326 N C -2.016 173.475 175.510 -0.032 0.000 1.171 326 N CA -1.406 51.621 53.050 -0.039 0.000 0.948 326 N CB 1.082 39.547 38.487 -0.037 0.000 1.069 326 N HN 0.399 nan 8.380 nan 0.000 0.460 327 P HA 0.028 nan 4.420 nan 0.000 0.226 327 P C 0.833 178.130 177.300 -0.006 0.000 1.783 327 P CA -0.083 63.005 63.100 -0.019 0.000 0.980 327 P CB -0.549 31.129 31.700 -0.037 0.000 1.967 328 T N -1.763 112.788 114.554 -0.005 0.000 2.720 328 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 328 T C 1.750 176.467 174.700 0.028 0.000 1.037 328 T CA 1.122 63.222 62.100 -0.001 0.000 1.144 328 T CB -0.580 68.281 68.868 -0.013 0.000 0.864 328 T HN 0.087 nan 8.240 nan 0.000 0.444 329 Q N 0.236 120.075 119.800 0.066 0.000 2.170 329 Q HA -0.006 4.334 4.340 -0.000 0.000 0.203 329 Q C 2.755 178.860 176.000 0.176 0.000 0.976 329 Q CA 1.267 57.154 55.803 0.140 0.000 0.858 329 Q CB -1.035 27.819 28.738 0.194 0.000 0.907 329 Q HN 0.672 nan 8.270 nan 0.000 0.433 330 C N 0.808 120.199 119.300 0.151 0.000 2.440 330 C HA -0.078 4.382 4.460 -0.000 0.000 0.278 330 C C 2.450 177.434 174.990 -0.010 0.000 1.295 330 C CA 0.430 59.495 59.018 0.078 0.000 1.738 330 C CB -0.628 27.149 27.740 0.062 0.000 1.987 330 C HN 0.551 nan 8.230 nan 0.000 0.492 331 E N 1.139 121.334 120.200 -0.008 0.000 2.106 331 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 331 E C 2.354 178.941 176.600 -0.021 0.000 0.984 331 E CA 1.240 57.624 56.400 -0.027 0.000 0.806 331 E CB -0.226 29.456 29.700 -0.030 0.000 0.750 331 E HN 0.663 nan 8.360 nan 0.000 0.458 332 A N 1.167 123.985 122.820 -0.003 0.000 1.898 332 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 332 A C 2.142 179.712 177.584 -0.023 0.000 1.181 332 A CA 0.861 52.897 52.037 -0.003 0.000 0.620 332 A CB -0.417 18.593 19.000 0.018 0.000 0.819 332 A HN 0.189 nan 8.150 nan 0.000 0.442 333 L N 0.487 121.686 121.223 -0.040 0.000 2.056 333 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 333 L C 2.813 179.613 176.870 -0.117 0.000 1.078 333 L CA 2.865 57.641 54.840 -0.107 0.000 0.749 333 L CB -0.930 40.990 42.059 -0.231 0.000 0.901 333 L HN 0.581 nan 8.230 nan 0.000 0.433 334 T N -3.679 110.813 114.554 -0.103 0.000 2.821 334 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 334 T C 1.922 176.589 174.700 -0.056 0.000 1.046 334 T CA 1.588 63.638 62.100 -0.084 0.000 1.139 334 T CB -0.476 68.353 68.868 -0.066 0.000 0.871 334 T HN 0.308 nan 8.240 nan 0.000 0.454 335 M N 1.173 120.747 119.600 -0.043 0.000 2.117 335 M HA 0.060 4.540 4.480 -0.000 0.000 0.262 335 M C 2.298 178.581 176.300 -0.028 0.000 1.065 335 M CA 1.566 56.849 55.300 -0.028 0.000 1.114 335 M CB -0.645 31.944 32.600 -0.019 0.000 1.361 335 M HN 0.395 nan 8.290 nan 0.000 0.408 336 L N -2.294 118.907 121.223 -0.038 0.000 2.217 336 L HA -0.011 4.329 4.340 -0.000 0.000 0.211 336 L C 2.201 179.042 176.870 -0.049 0.000 1.107 336 L CA 1.278 56.095 54.840 -0.039 0.000 0.783 336 L CB -1.559 40.474 42.059 -0.042 0.000 0.919 336 L HN 0.174 nan 8.230 nan 0.000 0.442 337 C N -0.540 118.722 119.300 -0.064 0.000 2.440 337 C HA -0.103 4.357 4.460 -0.000 0.000 0.278 337 C C 2.978 177.942 174.990 -0.043 0.000 1.295 337 C CA 0.821 59.797 59.018 -0.069 0.000 1.738 337 C CB -1.246 26.441 27.740 -0.088 0.000 1.987 337 C HN 0.804 nan 8.230 nan 0.000 0.492 338 C N -0.348 118.933 119.300 -0.031 0.000 2.425 338 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 338 C C 2.752 177.741 174.990 -0.002 0.000 1.280 338 C CA 1.299 60.309 59.018 -0.014 0.000 1.744 338 C CB -1.356 26.378 27.740 -0.009 0.000 1.989 338 C HN 0.649 nan 8.230 nan 0.000 0.491 339 Q N 0.988 120.785 119.800 -0.004 0.000 2.084 339 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 339 Q C 2.097 178.109 176.000 0.020 0.000 0.978 339 Q CA 1.882 57.690 55.803 0.008 0.000 0.844 339 Q CB -0.425 28.314 28.738 0.000 0.000 0.898 339 Q HN 0.479 nan 8.270 nan 0.000 0.426 340 V N 0.326 120.244 119.914 0.007 0.000 2.407 340 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 340 V C 2.235 178.385 176.094 0.093 0.000 1.055 340 V CA 1.728 64.050 62.300 0.037 0.000 1.049 340 V CB -0.597 31.194 31.823 -0.053 0.000 0.662 340 V HN 0.434 nan 8.190 nan 0.000 0.455 341 M N 0.334 119.957 119.600 0.039 0.000 2.117 341 M HA -0.064 4.416 4.480 -0.000 0.000 0.262 341 M C 2.384 178.717 176.300 0.055 0.000 1.065 341 M CA 2.139 57.465 55.300 0.043 0.000 1.114 341 M CB -1.813 30.795 32.600 0.014 0.000 1.361 341 M HN 0.434 nan 8.290 nan 0.000 0.408 342 G N 0.668 109.494 108.800 0.043 0.000 2.418 342 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 342 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 342 G C 1.414 176.340 174.900 0.043 0.000 1.158 342 G CA 0.762 45.886 45.100 0.040 0.000 0.771 342 G HN 0.387 nan 8.290 nan 0.000 0.545 343 N N 0.774 119.505 118.700 0.051 0.000 2.149 343 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 343 N C 1.768 177.224 175.510 -0.090 0.000 1.019 343 N CA 1.374 54.428 53.050 0.005 0.000 0.857 343 N CB -0.406 38.093 38.487 0.021 0.000 0.997 343 N HN 0.411 nan 8.380 nan 0.000 0.426 344 D N -0.079 120.338 120.400 0.028 0.000 2.117 344 D HA -0.073 4.567 4.640 -0.000 0.000 0.197 344 D C 1.793 178.093 176.300 -0.001 0.000 0.987 344 D CA 0.638 54.657 54.000 0.030 0.000 0.829 344 D CB 0.156 41.095 40.800 0.231 0.000 0.961 344 D HN -0.048 nan 8.370 nan 0.000 0.460 345 V N 0.674 120.598 119.914 0.018 0.000 2.295 345 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 345 V C 2.534 178.630 176.094 0.004 0.000 1.049 345 V CA 1.801 64.108 62.300 0.012 0.000 1.024 345 V CB -0.947 30.887 31.823 0.018 0.000 0.648 345 V HN 0.338 nan 8.190 nan 0.000 0.447 346 A N -0.150 122.678 122.820 0.014 0.000 1.902 346 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 346 A C 2.198 179.796 177.584 0.024 0.000 1.181 346 A CA 2.024 54.086 52.037 0.042 0.000 0.623 346 A CB -0.571 18.481 19.000 0.087 0.000 0.818 346 A HN 0.504 nan 8.150 nan 0.000 0.443 347 I N 0.005 120.559 120.570 -0.027 0.000 2.226 347 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 347 I C 2.095 178.194 176.117 -0.029 0.000 1.100 347 I CA 1.158 62.436 61.300 -0.037 0.000 1.374 347 I CB -0.434 37.482 38.000 -0.140 0.000 1.057 347 I HN 0.314 nan 8.210 nan 0.000 0.413 348 N N 0.760 119.443 118.700 -0.029 0.000 2.084 348 N HA -0.144 4.596 4.740 -0.000 0.000 0.190 348 N C 1.883 177.352 175.510 -0.069 0.000 1.030 348 N CA 1.463 54.496 53.050 -0.029 0.000 0.849 348 N CB -0.295 38.186 38.487 -0.010 0.000 1.012 348 N HN 0.326 nan 8.380 nan 0.000 0.423 349 M N -0.089 119.467 119.600 -0.074 0.000 2.117 349 M HA -0.042 4.438 4.480 -0.000 0.000 0.262 349 M C 2.212 178.341 176.300 -0.287 0.000 1.065 349 M CA 1.626 56.846 55.300 -0.134 0.000 1.114 349 M CB -0.618 31.934 32.600 -0.081 0.000 1.361 349 M HN 0.186 nan 8.290 nan 0.000 0.408 350 G N -0.188 108.474 108.800 -0.231 0.000 2.408 350 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.217 350 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.217 350 G C 1.509 176.230 174.900 -0.298 0.000 1.150 350 G CA 0.893 45.770 45.100 -0.370 0.000 0.776 350 G HN 0.564 nan 8.290 nan 0.000 0.542 351 G N 0.787 109.506 108.800 -0.135 0.000 2.422 351 G HA2 0.132 4.092 3.960 -0.000 0.000 0.218 351 G HA3 0.132 4.092 3.960 -0.000 0.000 0.218 351 G C 1.801 176.640 174.900 -0.103 0.000 1.140 351 G CA 1.248 46.302 45.100 -0.076 0.000 0.775 351 G HN 0.627 nan 8.290 nan 0.000 0.545 352 A N 0.177 122.909 122.820 -0.147 0.000 2.208 352 A HA 0.363 4.683 4.320 -0.000 0.000 0.209 352 A C 2.042 179.517 177.584 -0.181 0.000 1.161 352 A CA 1.135 53.093 52.037 -0.130 0.000 0.782 352 A CB 0.079 19.013 19.000 -0.110 0.000 0.816 352 A HN 0.191 nan 8.150 nan 0.000 0.477 353 S N 0.332 115.843 115.700 -0.314 0.000 2.614 353 S HA 0.299 4.769 4.470 -0.000 0.000 0.230 353 S C 0.988 175.510 174.600 -0.131 0.000 0.952 353 S CA 0.072 58.058 58.200 -0.358 0.000 0.949 353 S CB 0.088 62.747 63.200 -0.902 0.000 0.786 353 S HN 0.659 nan 8.310 nan 0.000 0.478 354 G N 1.651 110.413 108.800 -0.063 0.000 2.527 354 G HA2 0.406 4.366 3.960 -0.000 0.000 0.248 354 G HA3 0.406 4.366 3.960 -0.000 0.000 0.248 354 G C -0.507 174.360 174.900 -0.054 0.000 1.231 354 G CA -0.482 44.632 45.100 0.023 0.000 0.838 354 G HN 0.407 nan 8.290 nan 0.000 0.570 355 N N 0.232 118.898 118.700 -0.058 0.000 2.352 355 N HA 0.532 5.272 4.740 -0.000 0.000 0.291 355 N C -0.244 175.163 175.510 -0.172 0.000 1.040 355 N CA -0.650 52.215 53.050 -0.308 0.000 0.864 355 N CB 1.729 40.039 38.487 -0.295 0.000 1.440 355 N HN 0.429 nan 8.380 nan 0.000 0.483 356 F N 0.244 120.228 119.950 0.056 0.000 2.756 356 F HA -0.371 4.156 4.527 -0.000 0.000 0.240 356 F C 1.737 177.580 175.800 0.072 0.000 1.487 356 F CA 1.170 59.202 58.000 0.054 0.000 1.859 356 F CB -0.888 38.139 39.000 0.045 0.000 1.319 356 F HN 0.442 nan 8.300 nan 0.000 0.230 357 E N 0.545 120.940 120.200 0.325 0.000 2.482 357 E HA 0.303 4.653 4.350 -0.000 0.000 0.196 357 E C -0.151 176.550 176.600 0.168 0.000 1.047 357 E CA 0.680 57.214 56.400 0.224 0.000 0.869 357 E CB 0.032 29.849 29.700 0.194 0.000 0.836 357 E HN 0.326 nan 8.360 nan 0.000 0.520 358 L N 0.287 121.603 121.223 0.154 0.000 2.526 358 L HA 0.358 4.698 4.340 -0.000 0.000 0.263 358 L C -1.580 175.357 176.870 0.111 0.000 0.943 358 L CA -0.570 54.338 54.840 0.113 0.000 0.859 358 L CB 1.857 43.972 42.059 0.092 0.000 1.313 358 L HN -0.199 nan 8.230 nan 0.000 0.406 359 N N 3.491 122.255 118.700 0.107 0.000 2.419 359 N HA 0.312 5.052 4.740 -0.000 0.000 0.264 359 N C -0.340 175.261 175.510 0.152 0.000 1.031 359 N CA -0.107 53.031 53.050 0.147 0.000 0.951 359 N CB 1.678 40.242 38.487 0.128 0.000 1.101 359 N HN 0.543 nan 8.380 nan 0.000 0.488 360 V N 1.838 121.863 119.914 0.184 0.000 2.852 360 V HA 0.458 4.578 4.120 -0.000 0.000 0.359 360 V C -0.363 175.659 176.094 -0.121 0.000 1.244 360 V CA -0.368 61.943 62.300 0.019 0.000 1.371 360 V CB -1.317 30.466 31.823 -0.067 0.000 1.491 360 V HN 0.430 nan 8.190 nan 0.000 0.603 361 F N -0.165 119.797 119.950 0.020 0.000 2.775 361 F HA 0.486 5.013 4.527 -0.000 0.000 0.313 361 F C 1.936 177.764 175.800 0.047 0.000 1.121 361 F CA -0.614 57.409 58.000 0.038 0.000 1.206 361 F CB 0.427 39.455 39.000 0.047 0.000 1.052 361 F HN 0.085 nan 8.300 nan 0.000 0.524 362 R N 0.813 121.409 120.500 0.161 0.000 2.094 362 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 362 R C -0.621 175.811 176.300 0.220 0.000 1.137 362 R CA 1.969 58.188 56.100 0.198 0.000 0.943 362 R CB -1.755 28.708 30.300 0.272 0.000 0.850 362 R HN 0.172 nan 8.270 nan 0.000 0.433 363 P HA -0.228 nan 4.420 nan 0.000 0.216 363 P C 1.381 178.667 177.300 -0.024 0.000 1.153 363 P CA 1.256 64.374 63.100 0.030 0.000 0.858 363 P CB -0.097 31.463 31.700 -0.234 0.000 0.789 364 M N -0.483 119.110 119.600 -0.012 0.000 2.099 364 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 364 M C 1.782 178.187 176.300 0.175 0.000 1.067 364 M CA 1.932 57.280 55.300 0.081 0.000 1.124 364 M CB -1.027 31.747 32.600 0.290 0.000 1.353 364 M HN -0.202 nan 8.290 nan 0.000 0.410 365 V N 0.870 120.885 119.914 0.169 0.000 2.255 365 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 365 V C 2.486 178.662 176.094 0.136 0.000 1.051 365 V CA 1.811 64.193 62.300 0.138 0.000 1.018 365 V CB -0.858 31.036 31.823 0.119 0.000 0.641 365 V HN 0.469 nan 8.190 nan 0.000 0.445 366 I N -0.339 120.308 120.570 0.128 0.000 2.394 366 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 366 I C 2.353 178.550 176.117 0.132 0.000 1.136 366 I CA 1.853 63.219 61.300 0.110 0.000 1.425 366 I CB -0.559 37.458 38.000 0.028 0.000 1.079 366 I HN 0.542 nan 8.210 nan 0.000 0.425 367 H N 0.330 119.416 119.070 0.026 0.000 2.321 367 H HA -0.143 4.413 4.556 -0.000 0.000 0.300 367 H C 1.989 177.348 175.328 0.051 0.000 1.087 367 H CA 2.565 58.610 56.048 -0.005 0.000 1.319 367 H CB -0.350 29.345 29.762 -0.111 0.000 1.379 367 H HN 0.388 nan 8.280 nan 0.000 0.501 368 N N -0.856 117.801 118.700 -0.072 0.000 2.142 368 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 368 N C 1.536 177.014 175.510 -0.053 0.000 1.023 368 N CA 1.173 54.153 53.050 -0.117 0.000 0.852 368 N CB -0.315 38.163 38.487 -0.014 0.000 0.998 368 N HN 0.279 nan 8.380 nan 0.000 0.424 369 F N 1.341 121.245 119.950 -0.077 0.000 2.075 369 F HA -0.053 4.474 4.527 -0.000 0.000 0.297 369 F C 1.763 177.575 175.800 0.019 0.000 1.113 369 F CA 1.254 59.268 58.000 0.023 0.000 1.218 369 F CB -0.229 38.789 39.000 0.030 0.000 0.984 369 F HN -0.024 nan 8.300 nan 0.000 0.472 370 L N -0.112 121.226 121.223 0.191 0.000 2.083 370 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 370 L C 2.562 179.396 176.870 -0.059 0.000 1.083 370 L CA 1.640 56.528 54.840 0.079 0.000 0.752 370 L CB -0.848 41.256 42.059 0.075 0.000 0.899 370 L HN 0.319 nan 8.230 nan 0.000 0.433 371 Q N -0.193 119.533 119.800 -0.123 0.000 2.084 371 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 371 Q C 2.307 178.238 176.000 -0.115 0.000 0.978 371 Q CA 1.979 57.697 55.803 -0.142 0.000 0.844 371 Q CB 0.101 28.696 28.738 -0.238 0.000 0.898 371 Q HN 0.406 nan 8.270 nan 0.000 0.426 372 S N -0.169 115.456 115.700 -0.124 0.000 2.368 372 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 372 S C 1.965 176.446 174.600 -0.199 0.000 1.030 372 S CA 1.340 59.460 58.200 -0.133 0.000 0.999 372 S CB -0.242 62.922 63.200 -0.060 0.000 0.844 372 S HN 0.264 nan 8.310 nan 0.000 0.459 373 V N 1.527 121.287 119.914 -0.256 0.000 2.343 373 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 373 V C 2.472 178.501 176.094 -0.109 0.000 1.051 373 V CA 1.807 63.985 62.300 -0.203 0.000 1.036 373 V CB -0.583 31.140 31.823 -0.166 0.000 0.654 373 V HN 0.334 nan 8.190 nan 0.000 0.451 374 R N -0.388 120.061 120.500 -0.084 0.000 2.073 374 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 374 R C 2.307 178.578 176.300 -0.049 0.000 1.134 374 R CA 1.596 57.665 56.100 -0.052 0.000 0.952 374 R CB -0.304 29.970 30.300 -0.043 0.000 0.850 374 R HN 0.431 nan 8.270 nan 0.000 0.433 375 L N 0.294 121.480 121.223 -0.061 0.000 2.017 375 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 375 L C 2.364 179.199 176.870 -0.059 0.000 1.073 375 L CA 1.231 56.040 54.840 -0.052 0.000 0.745 375 L CB -0.396 41.629 42.059 -0.056 0.000 0.894 375 L HN 0.275 nan 8.230 nan 0.000 0.432 376 L N -0.644 120.529 121.223 -0.083 0.000 2.056 376 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 376 L C 2.875 179.709 176.870 -0.060 0.000 1.078 376 L CA 1.093 55.881 54.840 -0.087 0.000 0.749 376 L CB -0.702 41.284 42.059 -0.121 0.000 0.901 376 L HN 0.221 nan 8.230 nan 0.000 0.433 377 A N 0.094 122.882 122.820 -0.053 0.000 1.858 377 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 377 A C 1.934 179.512 177.584 -0.010 0.000 1.190 377 A CA 2.050 54.069 52.037 -0.030 0.000 0.617 377 A CB -0.595 18.388 19.000 -0.027 0.000 0.827 377 A HN 0.339 nan 8.150 nan 0.000 0.443 378 D N -0.380 120.015 120.400 -0.007 0.000 2.144 378 D HA -0.047 4.593 4.640 -0.000 0.000 0.200 378 D C 2.064 178.381 176.300 0.028 0.000 0.978 378 D CA 1.391 55.398 54.000 0.013 0.000 0.833 378 D CB -0.749 40.058 40.800 0.012 0.000 0.961 378 D HN 0.432 nan 8.370 nan 0.000 0.470 379 G N 0.536 109.342 108.800 0.010 0.000 2.418 379 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 379 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 379 G C 1.644 176.576 174.900 0.052 0.000 1.158 379 G CA 0.532 45.644 45.100 0.019 0.000 0.771 379 G HN 0.195 nan 8.290 nan 0.000 0.545 380 M N -0.006 119.610 119.600 0.027 0.000 2.132 380 M HA -0.020 4.460 4.480 -0.000 0.000 0.263 380 M C 2.473 178.837 176.300 0.108 0.000 1.065 380 M CA 1.139 56.479 55.300 0.067 0.000 1.122 380 M CB -0.274 32.339 32.600 0.022 0.000 1.365 380 M HN 0.199 nan 8.290 nan 0.000 0.411 381 E N 0.203 120.440 120.200 0.061 0.000 2.051 381 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 381 E C 2.030 178.656 176.600 0.044 0.000 0.991 381 E CA 1.653 58.076 56.400 0.038 0.000 0.799 381 E CB -0.152 29.562 29.700 0.023 0.000 0.748 381 E HN 0.321 nan 8.360 nan 0.000 0.449 382 S N -0.473 115.288 115.700 0.102 0.000 2.356 382 S HA -0.150 4.320 4.470 -0.000 0.000 0.223 382 S C 1.872 176.584 174.600 0.187 0.000 1.032 382 S CA 1.198 59.507 58.200 0.183 0.000 1.005 382 S CB -0.547 62.774 63.200 0.202 0.000 0.867 382 S HN 0.388 nan 8.310 nan 0.000 0.449 383 F N 3.091 123.060 119.950 0.031 0.000 2.134 383 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 383 F C 2.183 177.980 175.800 -0.005 0.000 1.097 383 F CA 1.957 59.965 58.000 0.014 0.000 1.264 383 F CB -0.775 38.215 39.000 -0.017 0.000 1.001 383 F HN 0.328 nan 8.300 nan 0.000 0.479 384 N N 0.655 119.374 118.700 0.031 0.000 2.013 384 N HA -0.303 4.437 4.740 -0.000 0.000 0.195 384 N C 2.102 177.505 175.510 -0.179 0.000 1.051 384 N CA 1.935 54.936 53.050 -0.081 0.000 0.851 384 N CB -0.334 38.152 38.487 -0.001 0.000 1.044 384 N HN 0.350 nan 8.380 nan 0.000 0.422 385 K N -0.297 119.974 120.400 -0.216 0.000 2.097 385 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 385 K C 1.258 177.597 176.600 -0.434 0.000 1.050 385 K CA 1.278 57.349 56.287 -0.361 0.000 0.938 385 K CB -0.034 32.158 32.500 -0.512 0.000 0.718 385 K HN 0.380 nan 8.250 nan 0.000 0.442 386 H N -1.512 117.512 119.070 -0.076 0.000 2.549 386 H HA 0.160 4.716 4.556 -0.000 0.000 0.279 386 H C 0.910 176.159 175.328 -0.130 0.000 1.018 386 H CA 0.414 56.417 56.048 -0.076 0.000 1.175 386 H CB 0.535 30.275 29.762 -0.037 0.000 1.485 386 H HN 0.348 nan 8.280 nan 0.000 0.543 387 C N -0.980 118.210 119.300 -0.183 0.000 3.330 387 C HA 0.455 4.915 4.460 -0.000 0.000 0.411 387 C C 2.750 177.524 174.990 -0.359 0.000 1.640 387 C CA 0.962 59.804 59.018 -0.294 0.000 2.082 387 C CB -0.620 26.839 27.740 -0.468 0.000 2.488 387 C HN 0.374 nan 8.230 nan 0.000 0.520 388 A N 1.590 124.051 122.820 -0.598 0.000 1.908 388 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 388 A C 2.096 179.606 177.584 -0.124 0.000 1.181 388 A CA 3.165 54.988 52.037 -0.357 0.000 0.627 388 A CB -1.247 17.554 19.000 -0.332 0.000 0.818 388 A HN 1.421 nan 8.150 nan 0.000 0.445 389 V N -2.408 117.431 119.914 -0.124 0.000 2.594 389 V HA 0.005 4.125 4.120 -0.000 0.000 0.253 389 V C 1.960 178.039 176.094 -0.025 0.000 1.069 389 V CA 1.916 64.178 62.300 -0.063 0.000 1.082 389 V CB -1.356 30.423 31.823 -0.074 0.000 0.680 389 V HN 0.478 nan 8.190 nan 0.000 0.469 390 G N -0.440 108.341 108.800 -0.033 0.000 3.233 390 G HA2 0.337 4.297 3.960 -0.000 0.000 0.234 390 G HA3 0.337 4.297 3.960 -0.000 0.000 0.234 390 G C 0.489 175.417 174.900 0.046 0.000 1.137 390 G CA -0.409 44.695 45.100 0.007 0.000 0.763 390 G HN 0.510 nan 8.290 nan 0.000 0.549 391 I N 1.924 122.539 120.570 0.076 0.000 2.662 391 I HA 0.082 4.252 4.170 -0.000 0.000 0.285 391 I C -0.310 175.934 176.117 0.211 0.000 1.161 391 I CA 0.488 61.874 61.300 0.143 0.000 1.415 391 I CB 0.616 38.752 38.000 0.226 0.000 1.385 391 I HN 0.009 nan 8.210 nan 0.000 0.552 392 E N 8.757 129.011 120.200 0.089 0.000 2.293 392 E HA 0.459 4.809 4.350 -0.000 0.000 0.270 392 E C -2.484 174.012 176.600 -0.173 0.000 0.879 392 E CA -1.975 54.425 56.400 -0.001 0.000 0.756 392 E CB 2.158 31.874 29.700 0.026 0.000 1.208 392 E HN 0.241 nan 8.360 nan 0.000 0.428 393 P HA 0.248 nan 4.420 nan 0.000 0.282 393 P C -0.456 176.736 177.300 -0.180 0.000 1.249 393 P CA -0.624 62.262 63.100 -0.356 0.000 0.806 393 P CB 0.809 32.154 31.700 -0.591 0.000 0.984 394 N N 2.880 121.511 118.700 -0.115 0.000 2.949 394 N HA 0.145 4.885 4.740 -0.000 0.000 0.243 394 N C 1.319 176.791 175.510 -0.063 0.000 1.113 394 N CA -0.254 52.757 53.050 -0.066 0.000 0.980 394 N CB 0.229 38.694 38.487 -0.035 0.000 1.256 394 N HN 0.312 nan 8.380 nan 0.000 0.508 395 R N 0.867 121.325 120.500 -0.071 0.000 2.119 395 R HA -0.173 4.167 4.340 -0.000 0.000 0.246 395 R C 1.269 177.550 176.300 -0.031 0.000 1.146 395 R CA 1.368 57.435 56.100 -0.056 0.000 0.962 395 R CB 0.102 30.372 30.300 -0.049 0.000 0.863 395 R HN 0.530 nan 8.270 nan 0.000 0.442 396 E N -0.037 120.149 120.200 -0.023 0.000 2.051 396 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 396 E C 2.185 178.780 176.600 -0.009 0.000 0.991 396 E CA 0.574 56.967 56.400 -0.012 0.000 0.799 396 E CB -0.060 29.635 29.700 -0.008 0.000 0.748 396 E HN 0.130 nan 8.360 nan 0.000 0.449 397 R N 1.151 121.645 120.500 -0.010 0.000 2.073 397 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 397 R C 2.267 178.565 176.300 -0.003 0.000 1.134 397 R CA 0.980 57.078 56.100 -0.003 0.000 0.952 397 R CB -0.702 29.597 30.300 -0.001 0.000 0.850 397 R HN 0.243 nan 8.270 nan 0.000 0.433 398 I N 0.636 121.198 120.570 -0.014 0.000 2.163 398 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 398 I C 1.768 177.881 176.117 -0.006 0.000 1.085 398 I CA 1.796 63.087 61.300 -0.015 0.000 1.347 398 I CB -0.414 37.565 38.000 -0.035 0.000 1.044 398 I HN 0.275 nan 8.210 nan 0.000 0.408 399 N N 0.027 118.723 118.700 -0.007 0.000 2.188 399 N HA -0.242 4.498 4.740 -0.000 0.000 0.184 399 N C 1.893 177.408 175.510 0.009 0.000 1.018 399 N CA 0.825 53.876 53.050 0.002 0.000 0.858 399 N CB -0.088 38.400 38.487 0.001 0.000 0.989 399 N HN 0.363 nan 8.380 nan 0.000 0.426 400 Q N 0.900 120.704 119.800 0.007 0.000 2.061 400 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 400 Q C 1.938 177.946 176.000 0.013 0.000 0.984 400 Q CA 1.204 57.013 55.803 0.010 0.000 0.846 400 Q CB -0.064 28.679 28.738 0.008 0.000 0.902 400 Q HN 0.423 nan 8.270 nan 0.000 0.421 401 L N 0.444 121.674 121.223 0.012 0.000 2.017 401 L HA -0.211 4.128 4.340 -0.000 0.000 0.208 401 L C 2.614 179.493 176.870 0.015 0.000 1.073 401 L CA 0.823 55.671 54.840 0.014 0.000 0.745 401 L CB -0.486 41.581 42.059 0.014 0.000 0.894 401 L HN 0.364 nan 8.230 nan 0.000 0.432 402 L N 0.130 121.362 121.223 0.014 0.000 2.012 402 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 402 L C 1.902 178.789 176.870 0.029 0.000 1.073 402 L CA 1.463 56.313 54.840 0.017 0.000 0.748 402 L CB -0.298 41.769 42.059 0.014 0.000 0.891 402 L HN 0.446 nan 8.230 nan 0.000 0.431 403 N N -0.530 118.190 118.700 0.033 0.000 2.461 403 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 403 N C 1.191 176.728 175.510 0.045 0.000 1.134 403 N CA 0.474 53.554 53.050 0.051 0.000 0.878 403 N CB 0.328 38.845 38.487 0.050 0.000 0.972 403 N HN 0.495 nan 8.380 nan 0.000 0.456 404 E N 0.283 120.501 120.200 0.031 0.000 2.431 404 E HA 0.026 4.376 4.350 -0.000 0.000 0.200 404 E C -0.003 176.608 176.600 0.018 0.000 0.995 404 E CA -0.166 56.247 56.400 0.023 0.000 0.915 404 E CB 0.448 30.157 29.700 0.016 0.000 0.930 404 E HN 0.201 nan 8.360 nan 0.000 0.496 405 S N 0.120 115.831 115.700 0.018 0.000 2.601 405 S HA 0.137 4.607 4.470 -0.000 0.000 0.271 405 S C 0.921 175.530 174.600 0.015 0.000 1.305 405 S CA -0.716 57.487 58.200 0.006 0.000 1.022 405 S CB 1.162 64.364 63.200 0.002 0.000 0.940 405 S HN 0.123 nan 8.310 nan 0.000 0.525 406 L N 1.284 122.503 121.223 -0.006 0.000 2.591 406 L HA 0.179 4.519 4.340 -0.000 0.000 0.228 406 L C 1.945 178.817 176.870 0.003 0.000 1.133 406 L CA 0.581 55.423 54.840 0.003 0.000 0.880 406 L CB -1.505 40.537 42.059 -0.029 0.000 1.033 406 L HN 0.695 nan 8.230 nan 0.000 0.450 407 M N -0.251 119.347 119.600 -0.004 0.000 2.267 407 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 407 M C 2.048 178.348 176.300 0.000 0.000 1.063 407 M CA 1.330 56.626 55.300 -0.006 0.000 1.090 407 M CB -0.864 31.733 32.600 -0.006 0.000 1.392 407 M HN 0.227 nan 8.290 nan 0.000 0.422 408 L N -1.144 120.089 121.223 0.017 0.000 2.551 408 L HA -0.061 4.279 4.340 -0.000 0.000 0.228 408 L C 2.290 179.167 176.870 0.012 0.000 1.153 408 L CA -0.132 54.717 54.840 0.014 0.000 0.851 408 L CB -0.637 41.439 42.059 0.029 0.000 0.959 408 L HN 0.062 nan 8.230 nan 0.000 0.451 409 V N 0.633 120.560 119.914 0.022 0.000 2.828 409 V HA -0.284 3.836 4.120 -0.000 0.000 0.260 409 V C 2.538 178.613 176.094 -0.032 0.000 1.101 409 V CA 2.411 64.724 62.300 0.021 0.000 1.123 409 V CB -0.474 31.354 31.823 0.008 0.000 0.704 409 V HN 0.755 nan 8.190 nan 0.000 0.493 410 T N -1.512 113.013 114.554 -0.048 0.000 2.759 410 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 410 T C 1.967 176.634 174.700 -0.054 0.000 1.042 410 T CA 1.473 63.533 62.100 -0.068 0.000 1.140 410 T CB -0.745 68.096 68.868 -0.045 0.000 0.864 410 T HN 0.620 nan 8.240 nan 0.000 0.455 411 A N 1.627 124.430 122.820 -0.028 0.000 1.972 411 A HA 0.155 4.475 4.320 -0.000 0.000 0.219 411 A C 2.406 180.014 177.584 0.039 0.000 1.169 411 A CA 1.218 53.254 52.037 -0.003 0.000 0.635 411 A CB -0.888 18.116 19.000 0.006 0.000 0.810 411 A HN 0.569 nan 8.150 nan 0.000 0.446 412 L N -0.335 120.909 121.223 0.036 0.000 2.141 412 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 412 L C 2.287 179.142 176.870 -0.024 0.000 1.094 412 L CA 1.025 55.914 54.840 0.082 0.000 0.763 412 L CB -0.702 41.440 42.059 0.138 0.000 0.908 412 L HN 0.477 nan 8.230 nan 0.000 0.437 413 N N -0.181 118.473 118.700 -0.077 0.000 2.061 413 N HA -0.184 4.556 4.740 -0.000 0.000 0.193 413 N C 1.552 176.958 175.510 -0.173 0.000 1.030 413 N CA 2.011 54.997 53.050 -0.106 0.000 0.856 413 N CB -0.232 38.190 38.487 -0.108 0.000 1.023 413 N HN 0.356 nan 8.380 nan 0.000 0.424 414 T N -0.293 114.092 114.554 -0.282 0.000 2.977 414 T HA -0.092 4.258 4.350 -0.000 0.000 0.271 414 T C 0.755 175.014 174.700 -0.735 0.000 1.105 414 T CA 1.199 63.013 62.100 -0.478 0.000 1.116 414 T CB -0.187 68.328 68.868 -0.589 0.000 0.878 414 T HN 0.476 nan 8.240 nan 0.000 0.509 415 H N -1.309 117.494 119.070 -0.444 0.000 2.893 415 H HA 0.587 5.143 4.556 -0.000 0.000 0.270 415 H C -0.374 174.664 175.328 -0.483 0.000 1.095 415 H CA -0.450 55.157 56.048 -0.736 0.000 1.186 415 H CB 0.789 29.532 29.762 -1.699 0.000 1.562 415 H HN 0.159 nan 8.280 nan 0.000 0.536 416 I N -0.070 120.395 120.570 -0.175 0.000 2.785 416 I HA 0.363 4.533 4.170 -0.000 0.000 0.293 416 I C -0.260 175.843 176.117 -0.024 0.000 1.446 416 I CA -0.678 60.582 61.300 -0.067 0.000 1.028 416 I CB 1.441 39.453 38.000 0.020 0.000 1.349 416 I HN 0.141 nan 8.210 nan 0.000 0.438 417 G N 5.088 113.888 108.800 0.000 0.000 2.187 417 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.239 417 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.239 417 G C 0.438 175.405 174.900 0.112 0.000 1.200 417 G CA 0.633 45.763 45.100 0.051 0.000 0.888 417 G HN 0.828 nan 8.290 nan 0.000 0.482 418 Y N 1.618 121.919 120.300 0.001 0.000 2.062 418 Y HA -0.394 4.156 4.550 -0.000 0.000 0.273 418 Y C 2.685 178.610 175.900 0.043 0.000 1.206 418 Y CA 2.982 61.091 58.100 0.015 0.000 1.125 418 Y CB 0.057 38.519 38.460 0.003 0.000 0.951 418 Y HN 0.770 nan 8.280 nan 0.000 0.501 419 D N -1.013 119.579 120.400 0.320 0.000 2.117 419 D HA -0.185 4.455 4.640 -0.000 0.000 0.197 419 D C 1.698 178.105 176.300 0.179 0.000 0.987 419 D CA 1.396 55.536 54.000 0.234 0.000 0.829 419 D CB -0.321 40.583 40.800 0.173 0.000 0.961 419 D HN 0.303 nan 8.370 nan 0.000 0.460 420 K N 1.223 121.735 120.400 0.186 0.000 2.025 420 K HA 0.049 4.369 4.320 -0.000 0.000 0.207 420 K C 2.410 179.181 176.600 0.286 0.000 1.049 420 K CA 1.207 57.674 56.287 0.299 0.000 0.933 420 K CB -0.793 31.825 32.500 0.198 0.000 0.714 420 K HN 0.245 nan 8.250 nan 0.000 0.438 421 A N 1.549 124.466 122.820 0.161 0.000 1.902 421 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 421 A C 2.407 180.023 177.584 0.053 0.000 1.181 421 A CA 2.201 54.305 52.037 0.111 0.000 0.623 421 A CB -0.657 18.347 19.000 0.008 0.000 0.818 421 A HN 0.301 nan 8.150 nan 0.000 0.443 422 A N -0.595 122.224 122.820 -0.003 0.000 1.969 422 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 422 A C 1.966 179.574 177.584 0.041 0.000 1.169 422 A CA 1.708 53.739 52.037 -0.010 0.000 0.635 422 A CB -0.488 18.512 19.000 -0.000 0.000 0.810 422 A HN 0.683 nan 8.150 nan 0.000 0.445 423 E N 0.328 120.571 120.200 0.070 0.000 2.058 423 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 423 E C 1.952 178.531 176.600 -0.034 0.000 0.997 423 E CA 1.717 58.136 56.400 0.031 0.000 0.801 423 E CB -0.331 29.405 29.700 0.060 0.000 0.746 423 E HN 0.806 nan 8.360 nan 0.000 0.450 424 I N -1.834 118.713 120.570 -0.038 0.000 2.394 424 I HA -0.089 4.081 4.170 -0.000 0.000 0.251 424 I C 2.398 178.513 176.117 -0.002 0.000 1.136 424 I CA 1.240 62.505 61.300 -0.059 0.000 1.425 424 I CB -0.436 37.556 38.000 -0.014 0.000 1.079 424 I HN 0.013 nan 8.210 nan 0.000 0.425 425 A N 2.121 124.959 122.820 0.031 0.000 1.898 425 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 425 A C 2.363 179.989 177.584 0.071 0.000 1.181 425 A CA 1.839 53.904 52.037 0.048 0.000 0.620 425 A CB -0.516 18.505 19.000 0.035 0.000 0.819 425 A HN 0.487 nan 8.150 nan 0.000 0.442 426 K N -0.159 120.273 120.400 0.053 0.000 2.063 426 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 426 K C 2.206 178.818 176.600 0.021 0.000 1.048 426 K CA 1.723 58.042 56.287 0.053 0.000 0.928 426 K CB -0.154 32.361 32.500 0.025 0.000 0.713 426 K HN 0.519 nan 8.250 nan 0.000 0.442 427 K N 0.904 121.299 120.400 -0.009 0.000 2.025 427 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 427 K C 2.221 178.816 176.600 -0.008 0.000 1.049 427 K CA 1.198 57.466 56.287 -0.031 0.000 0.933 427 K CB -0.136 32.325 32.500 -0.065 0.000 0.714 427 K HN 0.134 nan 8.250 nan 0.000 0.438 428 A N 1.148 123.976 122.820 0.013 0.000 1.883 428 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 428 A C 2.099 179.735 177.584 0.086 0.000 1.186 428 A CA 2.108 54.163 52.037 0.029 0.000 0.624 428 A CB -1.126 17.893 19.000 0.031 0.000 0.822 428 A HN 0.614 nan 8.150 nan 0.000 0.444 429 H N -0.076 118.987 119.070 -0.013 0.000 2.321 429 H HA -0.087 4.469 4.556 -0.000 0.000 0.300 429 H C 1.962 177.284 175.328 -0.010 0.000 1.087 429 H CA 2.287 58.331 56.048 -0.008 0.000 1.319 429 H CB -0.299 29.460 29.762 -0.004 0.000 1.379 429 H HN 0.405 nan 8.280 nan 0.000 0.501 430 K N 0.043 120.373 120.400 -0.116 0.000 2.097 430 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 430 K C 1.982 178.533 176.600 -0.082 0.000 1.050 430 K CA 1.614 57.787 56.287 -0.189 0.000 0.938 430 K CB 0.176 32.589 32.500 -0.146 0.000 0.718 430 K HN 0.274 nan 8.250 nan 0.000 0.442 431 E N -1.654 118.524 120.200 -0.036 0.000 2.447 431 E HA 0.169 4.519 4.350 -0.000 0.000 0.195 431 E C 0.485 177.083 176.600 -0.003 0.000 1.028 431 E CA 0.635 57.021 56.400 -0.023 0.000 0.876 431 E CB 0.894 30.578 29.700 -0.027 0.000 0.885 431 E HN 0.414 nan 8.360 nan 0.000 0.500 432 G N 0.465 109.278 108.800 0.023 0.000 2.149 432 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.235 432 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.235 432 G C -0.206 174.705 174.900 0.018 0.000 1.018 432 G CA -0.001 45.119 45.100 0.034 0.000 0.728 432 G HN 0.055 nan 8.290 nan 0.000 0.508 433 L N 0.711 121.940 121.223 0.010 0.000 2.416 433 L HA 0.808 5.148 4.340 -0.000 0.000 0.263 433 L C 1.449 178.316 176.870 -0.005 0.000 1.065 433 L CA 0.105 54.939 54.840 -0.009 0.000 0.798 433 L CB 0.946 42.988 42.059 -0.029 0.000 1.267 433 L HN 0.400 nan 8.230 nan 0.000 0.467 434 T N -2.357 112.183 114.554 -0.023 0.000 2.874 434 T HA 0.389 4.739 4.350 -0.000 0.000 0.281 434 T C 1.399 176.078 174.700 -0.035 0.000 0.994 434 T CA -0.646 61.445 62.100 -0.016 0.000 1.015 434 T CB 0.459 69.313 68.868 -0.023 0.000 1.028 434 T HN 0.392 nan 8.240 nan 0.000 0.523 435 L N 0.388 121.618 121.223 0.013 0.000 2.043 435 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 435 L C 2.981 179.734 176.870 -0.195 0.000 1.075 435 L CA 1.819 56.684 54.840 0.043 0.000 0.752 435 L CB -0.523 41.686 42.059 0.251 0.000 0.891 435 L HN 0.827 nan 8.230 nan 0.000 0.432 436 K N -0.134 119.998 120.400 -0.446 0.000 2.025 436 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 436 K C 2.177 178.490 176.600 -0.478 0.000 1.049 436 K CA 1.209 56.912 56.287 -0.974 0.000 0.933 436 K CB -0.118 31.891 32.500 -0.817 0.000 0.714 436 K HN 0.260 nan 8.250 nan 0.000 0.438 437 A N 1.120 123.783 122.820 -0.262 0.000 1.892 437 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 437 A C 2.327 179.823 177.584 -0.148 0.000 1.188 437 A CA 2.174 54.111 52.037 -0.166 0.000 0.631 437 A CB -0.930 18.009 19.000 -0.103 0.000 0.822 437 A HN 0.500 nan 8.150 nan 0.000 0.447 438 A N -0.411 122.328 122.820 -0.135 0.000 1.898 438 A HA 0.222 4.542 4.320 -0.000 0.000 0.216 438 A C 2.518 180.022 177.584 -0.132 0.000 1.181 438 A CA 1.970 53.941 52.037 -0.110 0.000 0.620 438 A CB -1.028 17.927 19.000 -0.074 0.000 0.819 438 A HN 1.086 nan 8.150 nan 0.000 0.442 439 A N -0.014 122.711 122.820 -0.159 0.000 1.883 439 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 439 A C 2.176 179.708 177.584 -0.085 0.000 1.186 439 A CA 1.634 53.608 52.037 -0.105 0.000 0.624 439 A CB -0.638 18.264 19.000 -0.163 0.000 0.822 439 A HN 0.482 nan 8.150 nan 0.000 0.444 440 L N -1.076 120.057 121.223 -0.149 0.000 2.072 440 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 440 L C 3.066 179.897 176.870 -0.065 0.000 1.079 440 L CA 0.977 55.758 54.840 -0.097 0.000 0.752 440 L CB -0.653 41.330 42.059 -0.128 0.000 0.906 440 L HN 0.422 nan 8.230 nan 0.000 0.436 441 A N -0.106 122.663 122.820 -0.084 0.000 1.972 441 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 441 A C 2.129 179.672 177.584 -0.069 0.000 1.169 441 A CA 1.361 53.357 52.037 -0.068 0.000 0.635 441 A CB -0.502 18.454 19.000 -0.074 0.000 0.810 441 A HN 0.318 nan 8.150 nan 0.000 0.446 442 L N -0.884 120.275 121.223 -0.107 0.000 2.554 442 L HA 0.252 4.592 4.340 -0.000 0.000 0.226 442 L C 1.599 178.453 176.870 -0.025 0.000 1.137 442 L CA 1.220 55.957 54.840 -0.171 0.000 0.863 442 L CB -0.410 41.395 42.059 -0.424 0.000 0.985 442 L HN 0.606 nan 8.230 nan 0.000 0.451 443 G N -1.611 107.216 108.800 0.045 0.000 2.187 443 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.261 443 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.261 443 G C 0.699 175.772 174.900 0.289 0.000 1.000 443 G CA 0.692 45.870 45.100 0.130 0.000 0.718 443 G HN 0.347 nan 8.290 nan 0.000 0.519 444 Y N -0.919 119.410 120.300 0.047 0.000 2.583 444 Y HA 0.390 4.940 4.550 -0.000 0.000 0.293 444 Y C 1.507 177.482 175.900 0.125 0.000 1.157 444 Y CA 0.820 58.974 58.100 0.090 0.000 1.315 444 Y CB -0.059 38.467 38.460 0.110 0.000 1.021 444 Y HN 0.729 nan 8.280 nan 0.000 0.536 445 L N -4.476 116.881 121.223 0.223 0.000 3.119 445 L HA 0.547 4.887 4.340 -0.000 0.000 0.283 445 L C -0.414 176.473 176.870 0.028 0.000 1.028 445 L CA -1.663 53.249 54.840 0.120 0.000 0.975 445 L CB 0.938 43.099 42.059 0.170 0.000 1.543 445 L HN -0.294 nan 8.230 nan 0.000 0.390 446 S N -2.018 113.653 115.700 -0.049 0.000 2.664 446 S HA 0.549 5.019 4.470 -0.000 0.000 0.304 446 S C 0.686 175.242 174.600 -0.074 0.000 1.099 446 S CA 0.130 58.291 58.200 -0.064 0.000 1.003 446 S CB 1.812 64.967 63.200 -0.075 0.000 1.092 446 S HN 0.944 nan 8.310 nan 0.000 0.525 447 E N 1.169 121.330 120.200 -0.065 0.000 2.086 447 E HA -0.254 4.096 4.350 -0.000 0.000 0.200 447 E C 2.088 178.668 176.600 -0.034 0.000 1.012 447 E CA 1.668 58.043 56.400 -0.043 0.000 0.812 447 E CB -0.594 29.078 29.700 -0.048 0.000 0.743 447 E HN 0.812 nan 8.360 nan 0.000 0.453 448 A N 1.670 124.438 122.820 -0.087 0.000 1.851 448 A HA -0.293 4.027 4.320 -0.000 0.000 0.216 448 A C 2.047 179.484 177.584 -0.246 0.000 1.195 448 A CA 2.199 54.160 52.037 -0.127 0.000 0.622 448 A CB -0.933 17.995 19.000 -0.120 0.000 0.831 448 A HN 0.614 nan 8.150 nan 0.000 0.444 449 E N -1.709 118.254 120.200 -0.395 0.000 2.204 449 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 449 E C 1.843 177.835 176.600 -1.013 0.000 0.989 449 E CA 1.245 57.114 56.400 -0.885 0.000 0.824 449 E CB -0.479 28.554 29.700 -1.111 0.000 0.756 449 E HN 0.591 nan 8.360 nan 0.000 0.477 450 F N 3.072 122.688 119.950 -0.557 0.000 2.060 450 F HA -0.151 4.376 4.527 -0.000 0.000 0.295 450 F C 1.703 177.410 175.800 -0.157 0.000 1.120 450 F CA 2.045 59.893 58.000 -0.254 0.000 1.205 450 F CB -0.162 38.773 39.000 -0.110 0.000 0.986 450 F HN -0.133 nan 8.300 nan 0.000 0.470 451 D N -0.011 120.395 120.400 0.010 0.000 2.158 451 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 451 D C 2.443 178.669 176.300 -0.124 0.000 0.995 451 D CA 1.807 55.788 54.000 -0.032 0.000 0.846 451 D CB -0.724 40.090 40.800 0.024 0.000 0.941 451 D HN 0.444 nan 8.370 nan 0.000 0.456 452 S N -0.817 114.765 115.700 -0.197 0.000 2.461 452 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 452 S C 1.755 176.341 174.600 -0.023 0.000 1.005 452 S CA 0.136 58.252 58.200 -0.140 0.000 0.942 452 S CB -0.330 62.755 63.200 -0.191 0.000 0.776 452 S HN 0.242 nan 8.310 nan 0.000 0.514 453 W N 1.346 122.464 121.300 -0.303 0.000 2.525 453 W HA 0.408 5.068 4.660 0.000 0.000 0.288 453 W C 1.202 177.573 176.519 -0.247 0.000 1.200 453 W CA -0.731 56.372 57.345 -0.402 0.000 1.349 453 W CB -0.928 28.176 29.460 -0.594 0.000 1.102 453 W HN 0.155 nan 8.180 nan 0.000 0.558 454 V N 4.928 124.754 119.914 -0.148 0.000 2.153 454 V HA 0.253 4.373 4.120 -0.000 0.000 0.250 454 V C 0.081 176.116 176.094 -0.098 0.000 1.334 454 V CA -0.208 61.974 62.300 -0.196 0.000 1.249 454 V CB -0.718 30.814 31.823 -0.485 0.000 1.371 454 V HN -0.137 nan 8.190 nan 0.000 0.498 455 R N 7.620 128.105 120.500 -0.025 0.000 2.391 455 R HA 0.303 4.643 4.340 -0.000 0.000 0.310 455 R C -1.647 174.651 176.300 -0.003 0.000 1.174 455 R CA -1.868 54.228 56.100 -0.006 0.000 1.118 455 R CB 0.945 31.255 30.300 0.018 0.000 1.134 455 R HN 0.507 nan 8.270 nan 0.000 0.524 456 P HA -0.207 nan 4.420 nan 0.000 0.218 456 P C 0.896 178.197 177.300 0.002 0.000 1.148 456 P CA 1.213 64.312 63.100 -0.002 0.000 0.822 456 P CB 0.349 32.050 31.700 0.002 0.000 0.784 457 E N 0.848 121.051 120.200 0.004 0.000 2.409 457 E HA -0.183 4.167 4.350 -0.000 0.000 0.198 457 E C 1.075 177.678 176.600 0.006 0.000 1.024 457 E CA 0.868 57.271 56.400 0.005 0.000 0.861 457 E CB -0.757 28.948 29.700 0.007 0.000 0.788 457 E HN 0.389 nan 8.360 nan 0.000 0.521 458 Q N 0.362 120.166 119.800 0.007 0.000 2.217 458 Q HA 0.278 4.618 4.340 -0.000 0.000 0.226 458 Q C -0.504 175.499 176.000 0.004 0.000 0.875 458 Q CA -0.492 55.316 55.803 0.008 0.000 0.974 458 Q CB -0.111 28.636 28.738 0.015 0.000 1.079 458 Q HN 0.055 nan 8.270 nan 0.000 0.463 459 M N 0.000 119.601 119.600 0.001 0.000 2.572 459 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 459 M CA 0.000 55.299 55.300 -0.001 0.000 0.988 459 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 459 M HN 0.000 nan 8.290 nan 0.000 0.411