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 2ohi_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKAAAKRISD GVYWTGVLDW DLRNYHGYTL QGTTYNAYLV CGDEGVALID DATA SEQUENCE NSYPGTFDEL MARVEDALQQ VGMERVDYII QNHVEKDHSG VLVELHRRFP DATA SEQUENCE EAPIYCTEVA VKGLLKHYPS LREAEFMTVK TGDVLDLGGK TLTFLETPLL DATA SEQUENCE HWPDSMFTLL DEDGILFSND AFGQHLCCPQ RLDREIPEYI LMDAARKFYA DATA SEQUENCE NLITPLSKLV LKKFDEVKEL GLLERIQMIA PSHGQIWTDP MKIIEAYTGW DATA SEQUENCE ATGMVDERVT VIYDTMHGST RKMAHAIAEG AMSEGVDVRV YCLHEDDRSE DATA SEQUENCE IVKDILESGA IALGAPTIYD EPYPSVGDLL MYLRGLKFNR TLTRKALVFG DATA SEQUENCE SMGGNGGATG TMKELLAEAG FDVACEEEVY YVPTGDELDA CFEAGRKLAA DATA SEQUENCE EIR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.294 176.300 -0.010 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 1 M CB 0.000 32.593 32.600 -0.012 0.000 1.302 2 K N 2.705 123.109 120.400 0.005 0.000 2.292 2 K HA 0.778 5.098 4.320 -0.000 0.000 0.270 2 K C -1.341 175.276 176.600 0.028 0.000 1.062 2 K CA -0.039 56.255 56.287 0.012 0.000 0.916 2 K CB 1.297 33.807 32.500 0.017 0.000 1.166 2 K HN 0.621 nan 8.250 nan 0.000 0.458 3 A N 2.653 125.487 122.820 0.024 0.000 2.456 3 A HA 0.655 4.975 4.320 -0.000 0.000 0.288 3 A C -1.203 176.410 177.584 0.049 0.000 1.042 3 A CA -0.729 51.338 52.037 0.051 0.000 0.738 3 A CB 1.423 20.450 19.000 0.044 0.000 1.266 3 A HN 0.684 nan 8.150 nan 0.000 0.407 4 A N 1.588 124.463 122.820 0.091 0.000 2.327 4 A HA 0.788 5.108 4.320 -0.000 0.000 0.283 4 A C 0.728 178.409 177.584 0.161 0.000 1.127 4 A CA 0.231 52.328 52.037 0.099 0.000 0.810 4 A CB 0.448 19.512 19.000 0.106 0.000 1.066 4 A HN 2.320 nan 8.150 nan 0.000 0.492 5 A N 1.822 124.719 122.820 0.129 0.000 2.366 5 A HA 0.541 4.861 4.320 -0.000 0.000 0.249 5 A C 0.399 178.203 177.584 0.365 0.000 1.084 5 A CA -0.233 51.939 52.037 0.225 0.000 0.794 5 A CB 0.324 19.385 19.000 0.102 0.000 1.034 5 A HN 0.721 nan 8.150 nan 0.000 0.491 6 K N 1.451 122.156 120.400 0.509 0.000 2.483 6 K HA 0.207 4.527 4.320 -0.000 0.000 0.256 6 K C -0.629 176.159 176.600 0.314 0.000 0.961 6 K CA -0.481 56.028 56.287 0.369 0.000 0.873 6 K CB 0.879 33.533 32.500 0.257 0.000 1.107 6 K HN 0.816 nan 8.250 nan 0.000 0.432 7 R N 5.101 125.696 120.500 0.159 0.000 2.401 7 R HA 0.091 4.431 4.340 -0.000 0.000 0.299 7 R C 1.078 177.311 176.300 -0.112 0.000 1.064 7 R CA 0.220 56.191 56.100 -0.214 0.000 1.000 7 R CB 0.217 30.368 30.300 -0.249 0.000 0.973 7 R HN 0.741 nan 8.270 nan 0.000 0.438 8 I N -0.772 119.725 120.570 -0.122 0.000 4.181 8 I HA 0.327 4.497 4.170 -0.000 0.000 0.331 8 I C -0.232 175.834 176.117 -0.086 0.000 1.312 8 I CA -0.322 60.949 61.300 -0.048 0.000 1.146 8 I CB 0.769 38.800 38.000 0.052 0.000 1.074 8 I HN 0.280 nan 8.210 nan 0.000 0.402 9 S N 0.158 115.775 115.700 -0.137 0.000 2.655 9 S HA 0.164 4.634 4.470 -0.000 0.000 0.266 9 S C -1.552 172.958 174.600 -0.150 0.000 1.149 9 S CA -0.682 57.448 58.200 -0.116 0.000 0.818 9 S CB 1.346 64.496 63.200 -0.082 0.000 1.130 9 S HN 0.285 nan 8.310 nan 0.000 0.476 10 D N 0.998 121.343 120.400 -0.091 0.000 2.426 10 D HA 0.370 5.010 4.640 -0.000 0.000 0.261 10 D C 1.311 177.586 176.300 -0.041 0.000 1.245 10 D CA 2.116 56.079 54.000 -0.062 0.000 0.917 10 D CB -0.148 40.635 40.800 -0.029 0.000 1.123 10 D HN 0.922 nan 8.370 nan 0.000 0.508 11 G N 2.594 111.379 108.800 -0.026 0.000 2.184 11 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.264 11 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.264 11 G C 0.257 175.224 174.900 0.111 0.000 0.975 11 G CA 0.443 45.603 45.100 0.099 0.000 0.642 11 G HN 0.586 nan 8.290 nan 0.000 0.536 12 V N 0.812 120.690 119.914 -0.060 0.000 2.384 12 V HA 0.676 4.796 4.120 -0.000 0.000 0.287 12 V C -0.373 175.642 176.094 -0.131 0.000 1.020 12 V CA -0.897 61.426 62.300 0.039 0.000 0.850 12 V CB 1.060 32.941 31.823 0.097 0.000 0.987 12 V HN 0.252 nan 8.190 nan 0.000 0.436 13 Y N 2.161 122.575 120.300 0.189 0.000 2.446 13 Y HA 0.438 4.988 4.550 -0.000 0.000 0.345 13 Y C -0.242 175.844 175.900 0.310 0.000 0.984 13 Y CA -0.682 57.544 58.100 0.210 0.000 1.058 13 Y CB 1.743 40.273 38.460 0.117 0.000 1.220 13 Y HN 0.757 nan 8.280 nan 0.000 0.455 14 W N 3.900 125.365 121.300 0.274 0.000 2.287 14 W HA 0.422 5.082 4.660 -0.000 0.000 0.313 14 W C -0.032 176.507 176.519 0.035 0.000 1.267 14 W CA -0.310 57.099 57.345 0.107 0.000 1.201 14 W CB 1.027 30.526 29.460 0.067 0.000 1.196 14 W HN 0.541 nan 8.180 nan 0.000 0.536 15 T N 2.988 117.055 114.554 -0.813 0.000 3.633 15 T HA 0.408 4.758 4.350 -0.000 0.000 0.278 15 T C 0.251 174.308 174.700 -1.073 0.000 0.991 15 T CA -0.217 61.400 62.100 -0.805 0.000 1.036 15 T CB -0.380 68.279 68.868 -0.348 0.000 1.148 15 T HN 0.529 nan 8.240 nan 0.000 0.501 16 G N 1.057 108.711 108.800 -1.910 0.000 2.574 16 G HA2 0.699 4.659 3.960 -0.000 0.000 0.248 16 G HA3 0.699 4.659 3.960 -0.000 0.000 0.248 16 G C -0.452 174.086 174.900 -0.603 0.000 1.422 16 G CA -0.220 44.273 45.100 -1.012 0.000 1.051 16 G HN 1.105 nan 8.290 nan 0.000 0.560 17 V N -1.684 118.165 119.914 -0.109 0.000 2.876 17 V HA 0.732 4.852 4.120 -0.000 0.000 0.312 17 V C -0.889 175.245 176.094 0.067 0.000 1.085 17 V CA -1.102 61.225 62.300 0.045 0.000 0.945 17 V CB 1.786 33.671 31.823 0.105 0.000 1.017 17 V HN 0.561 nan 8.190 nan 0.000 0.428 18 L N 3.772 124.994 121.223 -0.001 0.000 2.264 18 L HA 0.562 4.902 4.340 -0.000 0.000 0.289 18 L C -0.527 176.148 176.870 -0.327 0.000 1.044 18 L CA -0.253 54.413 54.840 -0.291 0.000 0.807 18 L CB 1.262 43.030 42.059 -0.486 0.000 1.192 18 L HN 0.695 nan 8.230 nan 0.000 0.425 19 D N 2.775 122.938 120.400 -0.395 0.000 2.505 19 D HA 0.125 4.765 4.640 -0.000 0.000 0.242 19 D C 0.591 176.773 176.300 -0.197 0.000 1.136 19 D CA -0.430 53.438 54.000 -0.220 0.000 0.954 19 D CB 0.492 41.163 40.800 -0.214 0.000 1.002 19 D HN 0.380 nan 8.370 nan 0.000 0.512 20 W N 1.490 122.778 121.300 -0.020 0.000 2.364 20 W HA -0.078 4.582 4.660 -0.000 0.000 0.281 20 W C 1.589 178.100 176.519 -0.014 0.000 1.219 20 W CA 0.407 57.745 57.345 -0.013 0.000 1.220 20 W CB 0.266 29.726 29.460 0.001 0.000 1.127 20 W HN 0.316 nan 8.180 nan 0.000 0.556 21 D N -0.587 119.931 120.400 0.195 0.000 2.338 21 D HA 0.006 4.646 4.640 -0.000 0.000 0.208 21 D C 0.786 177.119 176.300 0.056 0.000 0.997 21 D CA 0.065 54.138 54.000 0.122 0.000 0.880 21 D CB -0.314 40.551 40.800 0.109 0.000 0.980 21 D HN -0.040 nan 8.370 nan 0.000 0.509 22 L N 1.928 123.156 121.223 0.008 0.000 2.593 22 L HA -0.103 4.237 4.340 -0.000 0.000 0.287 22 L C 1.164 178.034 176.870 0.001 0.000 1.243 22 L CA 0.801 55.623 54.840 -0.030 0.000 0.890 22 L CB 0.348 42.340 42.059 -0.112 0.000 1.134 22 L HN -0.149 nan 8.230 nan 0.000 0.502 23 R N 2.337 122.845 120.500 0.013 0.000 2.582 23 R HA 0.242 4.582 4.340 -0.000 0.000 0.285 23 R C -0.314 176.009 176.300 0.038 0.000 0.940 23 R CA -0.079 56.040 56.100 0.032 0.000 1.072 23 R CB -0.028 30.293 30.300 0.035 0.000 1.527 23 R HN 0.730 nan 8.270 nan 0.000 0.538 24 N N 0.394 119.116 118.700 0.038 0.000 2.629 24 N HA 0.051 4.791 4.740 -0.000 0.000 0.277 24 N C -2.066 173.487 175.510 0.072 0.000 1.188 24 N CA -0.355 52.724 53.050 0.048 0.000 0.835 24 N CB 0.828 39.336 38.487 0.035 0.000 1.420 24 N HN -0.090 nan 8.380 nan 0.000 0.542 25 Y N 5.511 125.715 120.300 -0.160 0.000 2.717 25 Y HA 0.230 4.780 4.550 -0.000 0.000 0.329 25 Y C 0.128 175.740 175.900 -0.481 0.000 1.017 25 Y CA -0.844 57.053 58.100 -0.338 0.000 1.275 25 Y CB -0.676 37.447 38.460 -0.563 0.000 1.109 25 Y HN 0.654 nan 8.280 nan 0.000 0.511 26 H N 2.942 121.950 119.070 -0.104 0.000 2.592 26 H HA -0.212 4.344 4.556 -0.000 0.000 0.323 26 H C 0.845 176.110 175.328 -0.105 0.000 1.117 26 H CA 0.653 56.613 56.048 -0.148 0.000 1.120 26 H CB -1.656 27.956 29.762 -0.251 0.000 1.561 26 H HN 1.275 nan 8.280 nan 0.000 0.409 27 G N 0.161 108.980 108.800 0.031 0.000 2.147 27 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.244 27 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.244 27 G C -0.290 174.602 174.900 -0.012 0.000 1.005 27 G CA 0.429 45.517 45.100 -0.019 0.000 0.713 27 G HN 0.964 nan 8.290 nan 0.000 0.515 28 Y N 1.785 121.994 120.300 -0.151 0.000 2.326 28 Y HA 0.549 5.099 4.550 -0.000 0.000 0.329 28 Y C 0.727 176.562 175.900 -0.109 0.000 0.973 28 Y CA -0.293 57.724 58.100 -0.139 0.000 1.162 28 Y CB 1.402 39.731 38.460 -0.217 0.000 1.147 28 Y HN 0.374 nan 8.280 nan 0.000 0.456 29 T N 4.864 119.410 114.554 -0.014 0.000 2.910 29 T HA 0.671 5.021 4.350 -0.000 0.000 0.293 29 T C -0.666 174.104 174.700 0.117 0.000 1.015 29 T CA -0.388 61.733 62.100 0.035 0.000 1.094 29 T CB 1.318 70.174 68.868 -0.021 0.000 0.968 29 T HN 0.634 nan 8.240 nan 0.000 0.521 30 L N -0.584 120.710 121.223 0.119 0.000 2.765 30 L HA 0.565 4.905 4.340 -0.000 0.000 0.263 30 L C -0.923 176.003 176.870 0.094 0.000 1.068 30 L CA -1.042 53.885 54.840 0.145 0.000 0.903 30 L CB 1.592 43.747 42.059 0.161 0.000 1.512 30 L HN 0.414 nan 8.230 nan 0.000 0.404 31 Q N 1.207 121.067 119.800 0.100 0.000 2.815 31 Q HA 0.553 4.893 4.340 -0.000 0.000 0.329 31 Q C 0.105 176.151 176.000 0.077 0.000 1.037 31 Q CA 0.365 56.222 55.803 0.089 0.000 1.002 31 Q CB 1.168 29.966 28.738 0.100 0.000 1.274 31 Q HN 1.137 nan 8.270 nan 0.000 0.452 32 G N 0.900 109.724 108.800 0.040 0.000 2.755 32 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.686 32 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.686 32 G C -0.444 174.413 174.900 -0.071 0.000 1.427 32 G CA 0.011 45.097 45.100 -0.024 0.000 0.873 32 G HN 0.436 nan 8.290 nan 0.000 0.580 33 T N -1.105 113.338 114.554 -0.185 0.000 2.696 33 T HA 0.930 5.279 4.350 -0.000 0.000 0.291 33 T C 0.414 174.887 174.700 -0.380 0.000 1.095 33 T CA 1.045 63.033 62.100 -0.186 0.000 1.026 33 T CB 1.604 70.434 68.868 -0.063 0.000 1.390 33 T HN 2.245 nan 8.240 nan 0.000 0.513 34 T N -0.016 114.349 114.554 -0.314 0.000 2.924 34 T HA 0.730 5.080 4.350 -0.000 0.000 0.291 34 T C -1.748 172.699 174.700 -0.422 0.000 1.045 34 T CA -0.611 61.266 62.100 -0.372 0.000 1.015 34 T CB 1.175 69.978 68.868 -0.109 0.000 1.103 34 T HN 0.493 nan 8.240 nan 0.000 0.496 35 Y N 1.115 121.483 120.300 0.114 0.000 2.345 35 Y HA 0.476 5.026 4.550 -0.000 0.000 0.331 35 Y C 0.214 176.131 175.900 0.027 0.000 0.959 35 Y CA -1.444 56.699 58.100 0.071 0.000 1.204 35 Y CB 0.843 39.327 38.460 0.040 0.000 1.135 35 Y HN 0.548 nan 8.280 nan 0.000 0.477 36 N N 2.680 121.461 118.700 0.136 0.000 2.444 36 N HA 0.646 5.386 4.740 -0.000 0.000 0.271 36 N C -0.662 174.690 175.510 -0.265 0.000 1.069 36 N CA -0.233 52.794 53.050 -0.040 0.000 0.965 36 N CB 1.726 40.299 38.487 0.143 0.000 1.092 36 N HN 0.734 nan 8.380 nan 0.000 0.476 37 A N 2.346 124.785 122.820 -0.635 0.000 2.435 37 A HA 0.758 5.078 4.320 -0.000 0.000 0.304 37 A C -1.633 175.504 177.584 -0.745 0.000 1.064 37 A CA -0.585 51.167 52.037 -0.475 0.000 0.727 37 A CB 1.127 19.964 19.000 -0.270 0.000 1.284 37 A HN 0.579 nan 8.150 nan 0.000 0.415 38 Y N 0.024 120.255 120.300 -0.115 0.000 2.512 38 Y HA 0.644 5.194 4.550 -0.000 0.000 0.348 38 Y C -0.566 175.272 175.900 -0.104 0.000 0.990 38 Y CA -0.760 57.305 58.100 -0.057 0.000 1.033 38 Y CB 2.344 40.801 38.460 -0.004 0.000 1.259 38 Y HN 0.619 nan 8.280 nan 0.000 0.461 39 L N 3.148 124.460 121.223 0.150 0.000 2.349 39 L HA 0.746 5.086 4.340 -0.000 0.000 0.278 39 L C -1.490 175.467 176.870 0.145 0.000 0.996 39 L CA -0.588 54.301 54.840 0.081 0.000 0.825 39 L CB 1.384 43.473 42.059 0.051 0.000 1.243 39 L HN 0.474 nan 8.230 nan 0.000 0.412 40 V N 4.309 124.258 119.914 0.059 0.000 2.357 40 V HA 0.355 4.475 4.120 -0.000 0.000 0.284 40 V C -0.569 175.566 176.094 0.068 0.000 1.018 40 V CA -0.505 61.841 62.300 0.076 0.000 0.841 40 V CB 1.267 33.097 31.823 0.011 0.000 0.991 40 V HN 0.846 nan 8.190 nan 0.000 0.437 41 C N 5.072 124.433 119.300 0.102 0.000 2.264 41 C HA 0.750 5.210 4.460 -0.000 0.000 0.322 41 C C 1.193 176.220 174.990 0.062 0.000 1.210 41 C CA -0.711 58.357 59.018 0.084 0.000 1.539 41 C CB -0.141 27.673 27.740 0.123 0.000 2.167 41 C HN 1.032 nan 8.230 nan 0.000 0.463 42 G N 1.745 110.571 108.800 0.043 0.000 2.543 42 G HA2 0.261 4.221 3.960 -0.000 0.000 0.267 42 G HA3 0.261 4.221 3.960 -0.000 0.000 0.267 42 G C 0.465 175.385 174.900 0.034 0.000 1.406 42 G CA -0.087 45.031 45.100 0.031 0.000 1.048 42 G HN 0.608 nan 8.290 nan 0.000 0.548 43 D N -0.583 119.834 120.400 0.028 0.000 2.120 43 D HA -0.047 4.593 4.640 -0.000 0.000 0.202 43 D C 2.186 178.505 176.300 0.032 0.000 0.972 43 D CA 1.072 55.088 54.000 0.027 0.000 0.837 43 D CB 0.227 41.040 40.800 0.021 0.000 0.989 43 D HN 0.337 nan 8.370 nan 0.000 0.469 44 E N -0.205 120.020 120.200 0.041 0.000 2.230 44 E HA 0.200 4.550 4.350 -0.000 0.000 0.192 44 E C 0.721 177.360 176.600 0.064 0.000 0.987 44 E CA 0.214 56.645 56.400 0.052 0.000 0.841 44 E CB 0.568 30.306 29.700 0.064 0.000 0.783 44 E HN 0.202 nan 8.360 nan 0.000 0.481 45 G N -1.048 107.803 108.800 0.085 0.000 2.608 45 G HA2 0.466 4.426 3.960 -0.000 0.000 0.291 45 G HA3 0.466 4.426 3.960 -0.000 0.000 0.291 45 G C -1.648 173.307 174.900 0.092 0.000 1.425 45 G CA -0.226 44.933 45.100 0.098 0.000 0.787 45 G HN 0.201 nan 8.290 nan 0.000 0.484 46 V N -1.317 118.633 119.914 0.059 0.000 2.604 46 V HA 0.937 5.057 4.120 -0.000 0.000 0.305 46 V C -0.060 176.068 176.094 0.055 0.000 1.043 46 V CA -0.174 62.144 62.300 0.030 0.000 0.888 46 V CB 1.248 33.049 31.823 -0.036 0.000 0.995 46 V HN 1.966 nan 8.190 nan 0.000 0.429 47 A N 5.499 128.340 122.820 0.036 0.000 2.330 47 A HA 0.851 5.171 4.320 -0.000 0.000 0.327 47 A C -0.920 176.639 177.584 -0.042 0.000 1.155 47 A CA -0.702 51.349 52.037 0.024 0.000 0.803 47 A CB 1.475 20.456 19.000 -0.031 0.000 1.208 47 A HN 1.534 nan 8.150 nan 0.000 0.477 48 L N 3.789 124.986 121.223 -0.043 0.000 2.262 48 L HA 0.523 4.863 4.340 -0.000 0.000 0.288 48 L C -0.789 176.058 176.870 -0.038 0.000 1.035 48 L CA -0.133 54.675 54.840 -0.053 0.000 0.820 48 L CB 0.484 42.511 42.059 -0.054 0.000 1.204 48 L HN 0.580 nan 8.230 nan 0.000 0.424 49 I N 5.600 126.120 120.570 -0.084 0.000 2.291 49 I HA 0.273 4.443 4.170 -0.000 0.000 0.292 49 I C -0.375 175.753 176.117 0.018 0.000 1.064 49 I CA -0.458 60.794 61.300 -0.081 0.000 1.269 49 I CB 0.137 37.927 38.000 -0.350 0.000 1.418 49 I HN 0.667 nan 8.210 nan 0.000 0.485 50 D N 4.148 124.581 120.400 0.055 0.000 10.579 50 D HA -0.191 4.449 4.640 -0.000 0.000 0.361 50 D C -0.303 176.025 176.300 0.047 0.000 3.052 50 D CA 0.829 54.877 54.000 0.081 0.000 2.480 50 D CB -0.051 40.815 40.800 0.109 0.000 1.162 50 D HN 0.804 nan 8.370 nan 0.000 0.997 51 N N -1.338 117.404 118.700 0.069 0.000 2.698 51 N HA 0.565 5.305 4.740 -0.000 0.000 0.186 51 N C -0.377 175.164 175.510 0.051 0.000 1.712 51 N CA 0.247 53.318 53.050 0.036 0.000 1.153 51 N CB 0.642 39.157 38.487 0.047 0.000 2.112 51 N HN 0.689 nan 8.380 nan 0.000 0.308 52 S N -2.004 113.704 115.700 0.013 0.000 2.727 52 S HA 0.369 4.839 4.470 -0.000 0.000 0.278 52 S C -1.425 173.072 174.600 -0.173 0.000 1.186 52 S CA -0.847 57.325 58.200 -0.048 0.000 0.836 52 S CB 0.784 64.016 63.200 0.055 0.000 1.186 52 S HN 0.453 nan 8.310 nan 0.000 0.499 53 Y N 2.577 122.562 120.300 -0.525 0.000 2.480 53 Y HA 0.385 4.935 4.550 -0.000 0.000 0.338 53 Y C -2.464 173.333 175.900 -0.170 0.000 1.220 53 Y CA -0.801 57.026 58.100 -0.455 0.000 1.430 53 Y CB 0.444 38.489 38.460 -0.692 0.000 1.311 53 Y HN 0.431 nan 8.280 nan 0.000 0.575 54 P HA 0.134 nan 4.420 nan 0.000 0.269 54 P C 0.320 177.638 177.300 0.030 0.000 1.209 54 P CA 1.721 64.703 63.100 -0.198 0.000 0.776 54 P CB 0.654 32.194 31.700 -0.266 0.000 0.876 55 G N 1.693 110.527 108.800 0.056 0.000 2.241 55 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 55 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 55 G C 0.771 175.756 174.900 0.142 0.000 0.998 55 G CA 0.506 45.672 45.100 0.111 0.000 0.621 55 G HN 0.677 nan 8.290 nan 0.000 0.519 56 T N -1.782 112.863 114.554 0.152 0.000 3.163 56 T HA 0.437 4.787 4.350 -0.000 0.000 0.252 56 T C 1.632 176.412 174.700 0.134 0.000 1.056 56 T CA 0.730 62.916 62.100 0.143 0.000 0.947 56 T CB -0.044 68.919 68.868 0.158 0.000 1.016 56 T HN 0.491 nan 8.240 nan 0.000 0.554 57 F N 3.214 123.162 119.950 -0.004 0.000 2.095 57 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 57 F C 1.538 177.327 175.800 -0.018 0.000 1.104 57 F CA 1.464 59.449 58.000 -0.024 0.000 1.232 57 F CB -0.439 38.538 39.000 -0.039 0.000 0.987 57 F HN 0.112 nan 8.300 nan 0.000 0.475 58 D N 0.176 120.548 120.400 -0.048 0.000 2.104 58 D HA -0.243 4.397 4.640 -0.000 0.000 0.194 58 D C 2.198 178.398 176.300 -0.167 0.000 0.994 58 D CA 1.737 55.653 54.000 -0.141 0.000 0.830 58 D CB -0.524 40.271 40.800 -0.008 0.000 0.959 58 D HN 0.573 nan 8.370 nan 0.000 0.452 59 E N 0.143 120.293 120.200 -0.084 0.000 2.047 59 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 59 E C 2.263 178.777 176.600 -0.143 0.000 0.987 59 E CA 0.505 56.864 56.400 -0.069 0.000 0.799 59 E CB -0.220 29.482 29.700 0.004 0.000 0.752 59 E HN 0.167 nan 8.360 nan 0.000 0.449 60 L N 0.300 121.420 121.223 -0.170 0.000 1.990 60 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 60 L C 2.543 179.244 176.870 -0.281 0.000 1.072 60 L CA 1.987 56.695 54.840 -0.220 0.000 0.755 60 L CB -0.385 41.586 42.059 -0.147 0.000 0.889 60 L HN 0.301 nan 8.230 nan 0.000 0.432 61 M N -0.203 119.132 119.600 -0.442 0.000 2.108 61 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 61 M C 2.238 178.383 176.300 -0.258 0.000 1.066 61 M CA 1.960 56.983 55.300 -0.462 0.000 1.107 61 M CB -0.967 31.090 32.600 -0.905 0.000 1.356 61 M HN 0.416 nan 8.290 nan 0.000 0.406 62 A N -0.104 122.586 122.820 -0.216 0.000 1.883 62 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 62 A C 2.291 179.810 177.584 -0.110 0.000 1.186 62 A CA 1.930 53.889 52.037 -0.129 0.000 0.624 62 A CB -0.630 18.317 19.000 -0.089 0.000 0.822 62 A HN 0.564 nan 8.150 nan 0.000 0.444 63 R N -0.503 119.918 120.500 -0.131 0.000 2.081 63 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 63 R C 2.252 178.466 176.300 -0.143 0.000 1.131 63 R CA 1.683 57.705 56.100 -0.130 0.000 0.960 63 R CB -0.846 29.328 30.300 -0.210 0.000 0.856 63 R HN 0.631 nan 8.270 nan 0.000 0.436 64 V N -0.492 119.329 119.914 -0.155 0.000 2.358 64 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 64 V C 1.735 177.761 176.094 -0.114 0.000 1.047 64 V CA 1.649 63.870 62.300 -0.131 0.000 1.035 64 V CB -0.417 31.352 31.823 -0.090 0.000 0.658 64 V HN 0.220 nan 8.190 nan 0.000 0.452 65 E N 0.422 120.570 120.200 -0.087 0.000 2.085 65 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 65 E C 1.977 178.523 176.600 -0.090 0.000 0.994 65 E CA 1.865 58.225 56.400 -0.066 0.000 0.801 65 E CB -0.275 29.389 29.700 -0.059 0.000 0.743 65 E HN 0.817 nan 8.360 nan 0.000 0.453 66 D N -0.047 120.294 120.400 -0.098 0.000 2.117 66 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 66 D C 1.784 177.972 176.300 -0.187 0.000 0.987 66 D CA 1.482 55.423 54.000 -0.098 0.000 0.829 66 D CB -0.004 40.762 40.800 -0.057 0.000 0.961 66 D HN 0.170 nan 8.370 nan 0.000 0.460 67 A N -0.296 122.352 122.820 -0.286 0.000 1.968 67 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 67 A C 2.321 179.619 177.584 -0.477 0.000 1.169 67 A CA 0.614 52.276 52.037 -0.625 0.000 0.638 67 A CB -0.600 18.003 19.000 -0.661 0.000 0.812 67 A HN 0.344 nan 8.150 nan 0.000 0.446 68 L N -0.852 120.221 121.223 -0.249 0.000 2.141 68 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 68 L C 2.841 179.642 176.870 -0.115 0.000 1.094 68 L CA 0.914 55.664 54.840 -0.150 0.000 0.763 68 L CB -0.433 41.574 42.059 -0.086 0.000 0.908 68 L HN 0.420 nan 8.230 nan 0.000 0.437 69 Q N 0.145 119.876 119.800 -0.115 0.000 2.045 69 Q HA -0.284 4.056 4.340 -0.000 0.000 0.206 69 Q C 2.200 178.159 176.000 -0.067 0.000 0.991 69 Q CA 2.030 57.787 55.803 -0.076 0.000 0.851 69 Q CB -0.145 28.553 28.738 -0.068 0.000 0.911 69 Q HN 0.611 nan 8.270 nan 0.000 0.418 70 Q N -0.803 118.931 119.800 -0.109 0.000 2.187 70 Q HA -0.039 4.301 4.340 -0.000 0.000 0.199 70 Q C 1.925 177.931 176.000 0.010 0.000 0.957 70 Q CA 0.921 56.700 55.803 -0.040 0.000 0.857 70 Q CB 0.387 29.110 28.738 -0.026 0.000 0.929 70 Q HN 0.148 nan 8.270 nan 0.000 0.453 71 V N -0.671 119.225 119.914 -0.031 0.000 3.608 71 V HA 0.147 4.267 4.120 -0.000 0.000 0.269 71 V C 1.154 177.256 176.094 0.014 0.000 1.245 71 V CA 0.801 63.123 62.300 0.036 0.000 1.138 71 V CB -0.167 31.693 31.823 0.062 0.000 0.841 71 V HN 0.522 nan 8.190 nan 0.000 0.451 72 G N 0.813 109.607 108.800 -0.010 0.000 2.198 72 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.257 72 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.257 72 G C -0.023 174.872 174.900 -0.008 0.000 1.042 72 G CA 0.395 45.492 45.100 -0.006 0.000 0.791 72 G HN 0.292 nan 8.290 nan 0.000 0.502 73 M N -0.919 118.668 119.600 -0.021 0.000 2.613 73 M HA 0.502 4.982 4.480 -0.000 0.000 0.301 73 M C 1.087 177.375 176.300 -0.020 0.000 1.205 73 M CA -0.629 54.658 55.300 -0.021 0.000 0.950 73 M CB 0.992 33.574 32.600 -0.031 0.000 1.585 73 M HN 0.010 nan 8.290 nan 0.000 0.490 74 E N 0.941 121.133 120.200 -0.014 0.000 2.244 74 E HA 0.140 4.490 4.350 -0.000 0.000 0.196 74 E C 0.111 176.730 176.600 0.032 0.000 0.939 74 E CA 0.586 56.990 56.400 0.008 0.000 0.884 74 E CB 0.969 30.675 29.700 0.011 0.000 0.850 74 E HN 0.654 nan 8.360 nan 0.000 0.481 75 R N -1.023 119.463 120.500 -0.022 0.000 2.752 75 R HA 0.517 4.857 4.340 -0.000 0.000 0.271 75 R C -0.800 175.293 176.300 -0.344 0.000 1.026 75 R CA -0.751 55.302 56.100 -0.079 0.000 0.901 75 R CB 0.981 31.308 30.300 0.045 0.000 1.243 75 R HN -0.251 nan 8.270 nan 0.000 0.463 76 V N 1.897 121.284 119.914 -0.878 0.000 2.488 76 V HA 0.061 4.181 4.120 -0.000 0.000 0.277 76 V C 0.179 175.969 176.094 -0.507 0.000 1.046 76 V CA 0.188 62.036 62.300 -0.753 0.000 0.986 76 V CB 1.219 32.401 31.823 -1.067 0.000 0.989 76 V HN 0.812 nan 8.190 nan 0.000 0.475 77 D N 2.794 123.005 120.400 -0.314 0.000 2.355 77 D HA 0.103 4.743 4.640 -0.000 0.000 0.206 77 D C -0.503 175.445 176.300 -0.585 0.000 1.010 77 D CA 0.992 54.738 54.000 -0.423 0.000 0.875 77 D CB 0.676 41.209 40.800 -0.444 0.000 0.966 77 D HN 0.571 nan 8.370 nan 0.000 0.512 78 Y N -0.015 120.239 120.300 -0.076 0.000 2.433 78 Y HA 0.424 4.974 4.550 -0.000 0.000 0.337 78 Y C -0.375 175.512 175.900 -0.022 0.000 1.026 78 Y CA -0.747 57.344 58.100 -0.016 0.000 1.037 78 Y CB 1.800 40.189 38.460 -0.118 0.000 1.245 78 Y HN -0.312 nan 8.280 nan 0.000 0.443 79 I N 5.039 125.727 120.570 0.197 0.000 2.328 79 I HA 0.388 4.558 4.170 -0.000 0.000 0.287 79 I C -0.665 175.559 176.117 0.177 0.000 1.012 79 I CA -0.338 61.040 61.300 0.130 0.000 1.195 79 I CB 0.822 38.879 38.000 0.094 0.000 1.350 79 I HN 0.466 nan 8.210 nan 0.000 0.464 80 I N 6.207 126.859 120.570 0.135 0.000 2.331 80 I HA 0.207 4.377 4.170 -0.000 0.000 0.292 80 I C -0.003 176.197 176.117 0.138 0.000 0.998 80 I CA -0.461 60.937 61.300 0.164 0.000 1.267 80 I CB 0.849 38.947 38.000 0.164 0.000 1.386 80 I HN 0.438 nan 8.210 nan 0.000 0.476 81 Q N 5.520 125.409 119.800 0.148 0.000 2.431 81 Q HA 0.285 4.625 4.340 -0.000 0.000 0.249 81 Q C 0.173 176.272 176.000 0.164 0.000 1.025 81 Q CA -0.101 55.790 55.803 0.148 0.000 0.835 81 Q CB 1.246 30.073 28.738 0.149 0.000 1.207 81 Q HN 0.636 nan 8.270 nan 0.000 0.490 82 N N 0.806 119.618 118.700 0.188 0.000 2.188 82 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 82 N C 0.034 175.694 175.510 0.250 0.000 1.018 82 N CA 0.978 54.159 53.050 0.219 0.000 0.858 82 N CB 0.205 38.831 38.487 0.232 0.000 0.989 82 N HN 0.391 nan 8.380 nan 0.000 0.426 83 H N -1.454 117.681 119.070 0.109 0.000 3.046 83 H HA 0.202 4.758 4.556 -0.000 0.000 0.363 83 H C 0.059 175.463 175.328 0.126 0.000 1.203 83 H CA -1.069 55.043 56.048 0.107 0.000 1.169 83 H CB 1.175 30.972 29.762 0.059 0.000 1.851 83 H HN -0.152 nan 8.280 nan 0.000 0.546 84 V N 0.763 120.694 119.914 0.028 0.000 3.354 84 V HA 0.252 4.372 4.120 -0.000 0.000 0.258 84 V C 0.815 176.748 176.094 -0.269 0.000 1.159 84 V CA 0.519 62.784 62.300 -0.058 0.000 1.125 84 V CB -0.522 31.347 31.823 0.078 0.000 0.774 84 V HN 0.717 nan 8.190 nan 0.000 0.464 85 E N 1.277 121.084 120.200 -0.655 0.000 2.481 85 E HA -0.067 4.283 4.350 -0.000 0.000 0.263 85 E C 1.247 177.736 176.600 -0.185 0.000 0.992 85 E CA 0.227 56.344 56.400 -0.472 0.000 0.938 85 E CB 0.632 29.825 29.700 -0.846 0.000 0.933 85 E HN 0.427 nan 8.360 nan 0.000 0.453 86 K N 2.460 122.844 120.400 -0.028 0.000 2.144 86 K HA -0.250 4.070 4.320 -0.000 0.000 0.209 86 K C 1.149 177.651 176.600 -0.163 0.000 1.047 86 K CA 2.191 58.465 56.287 -0.023 0.000 0.927 86 K CB -0.003 32.520 32.500 0.039 0.000 0.716 86 K HN 0.601 nan 8.250 nan 0.000 0.454 87 D N -1.341 118.951 120.400 -0.180 0.000 2.347 87 D HA -0.136 4.503 4.640 -0.000 0.000 0.215 87 D C 1.010 176.968 176.300 -0.570 0.000 0.976 87 D CA 0.954 54.722 54.000 -0.387 0.000 0.884 87 D CB -0.123 40.488 40.800 -0.315 0.000 0.915 87 D HN 0.429 nan 8.370 nan 0.000 0.526 88 H N -0.279 118.762 119.070 -0.048 0.000 2.986 88 H HA 0.206 4.762 4.556 -0.000 0.000 0.267 88 H C 1.219 176.528 175.328 -0.031 0.000 1.072 88 H CA 0.690 56.724 56.048 -0.023 0.000 1.202 88 H CB 0.862 30.636 29.762 0.020 0.000 1.535 88 H HN 0.240 nan 8.280 nan 0.000 0.522 89 S N -0.706 115.006 115.700 0.021 0.000 2.666 89 S HA 0.138 4.608 4.470 -0.000 0.000 0.239 89 S C 2.035 176.575 174.600 -0.101 0.000 1.031 89 S CA 0.276 58.485 58.200 0.016 0.000 1.015 89 S CB 0.192 63.453 63.200 0.102 0.000 0.981 89 S HN 0.234 nan 8.310 nan 0.000 0.547 90 G N 2.138 110.866 108.800 -0.120 0.000 2.479 90 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.220 90 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.220 90 G C 1.123 175.875 174.900 -0.247 0.000 1.115 90 G CA 1.290 46.274 45.100 -0.193 0.000 0.757 90 G HN 1.143 nan 8.290 nan 0.000 0.560 91 V N -2.099 117.704 119.914 -0.184 0.000 3.176 91 V HA 0.429 4.549 4.120 -0.000 0.000 0.332 91 V C 1.857 177.830 176.094 -0.201 0.000 1.414 91 V CA -0.187 62.016 62.300 -0.161 0.000 1.133 91 V CB 0.289 32.154 31.823 0.071 0.000 1.088 91 V HN 0.085 nan 8.190 nan 0.000 0.473 92 L N 1.065 122.127 121.223 -0.269 0.000 2.042 92 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 92 L C 2.477 179.225 176.870 -0.204 0.000 1.076 92 L CA 2.685 57.403 54.840 -0.204 0.000 0.749 92 L CB -0.325 41.609 42.059 -0.207 0.000 0.893 92 L HN 0.320 nan 8.230 nan 0.000 0.432 93 V N -1.175 118.541 119.914 -0.330 0.000 2.548 93 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 93 V C 2.336 178.290 176.094 -0.233 0.000 1.055 93 V CA 1.897 64.079 62.300 -0.197 0.000 1.065 93 V CB -0.247 31.480 31.823 -0.159 0.000 0.681 93 V HN 0.619 nan 8.190 nan 0.000 0.462 94 E N 0.239 120.180 120.200 -0.431 0.000 2.077 94 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 94 E C 2.153 178.372 176.600 -0.636 0.000 0.989 94 E CA 1.904 57.835 56.400 -0.782 0.000 0.800 94 E CB -0.300 28.439 29.700 -1.602 0.000 0.746 94 E HN 0.619 nan 8.360 nan 0.000 0.452 95 L N 0.312 121.361 121.223 -0.290 0.000 2.046 95 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 95 L C 2.691 179.619 176.870 0.097 0.000 1.077 95 L CA 1.455 56.357 54.840 0.103 0.000 0.747 95 L CB -0.413 41.772 42.059 0.210 0.000 0.896 95 L HN 0.374 nan 8.230 nan 0.000 0.432 96 H N -0.052 118.980 119.070 -0.063 0.000 2.457 96 H HA -0.152 4.404 4.556 -0.000 0.000 0.294 96 H C 2.350 177.627 175.328 -0.085 0.000 1.064 96 H CA 1.192 57.208 56.048 -0.053 0.000 1.330 96 H CB 0.303 30.014 29.762 -0.086 0.000 1.395 96 H HN 0.235 nan 8.280 nan 0.000 0.541 97 R N 0.360 120.695 120.500 -0.274 0.000 2.115 97 R HA -0.099 4.241 4.340 -0.000 0.000 0.226 97 R C 2.499 178.621 176.300 -0.298 0.000 1.100 97 R CA 1.138 57.052 56.100 -0.310 0.000 0.980 97 R CB 0.035 30.187 30.300 -0.246 0.000 0.875 97 R HN 0.178 nan 8.270 nan 0.000 0.445 98 R N -0.546 119.760 120.500 -0.325 0.000 2.093 98 R HA -0.007 4.333 4.340 -0.000 0.000 0.224 98 R C -0.230 175.640 176.300 -0.717 0.000 1.101 98 R CA 1.170 56.962 56.100 -0.515 0.000 0.979 98 R CB 0.205 30.171 30.300 -0.556 0.000 0.877 98 R HN 0.041 nan 8.270 nan 0.000 0.441 99 F N 0.552 120.467 119.950 -0.058 0.000 2.371 99 F HA 0.436 4.963 4.527 -0.000 0.000 0.343 99 F C -1.914 173.821 175.800 -0.109 0.000 1.150 99 F CA -2.838 55.124 58.000 -0.064 0.000 1.220 99 F CB 1.732 40.715 39.000 -0.029 0.000 1.475 99 F HN -0.033 nan 8.300 nan 0.000 0.521 100 P HA -0.152 nan 4.420 nan 0.000 0.219 100 P C 1.265 178.555 177.300 -0.017 0.000 1.146 100 P CA 1.325 64.339 63.100 -0.144 0.000 0.808 100 P CB 0.364 31.979 31.700 -0.142 0.000 0.779 101 E N -0.257 119.953 120.200 0.018 0.000 2.216 101 E HA 0.042 4.392 4.350 -0.000 0.000 0.192 101 E C 1.028 177.624 176.600 -0.007 0.000 0.988 101 E CA 0.287 56.689 56.400 0.004 0.000 0.834 101 E CB -0.653 29.039 29.700 -0.014 0.000 0.772 101 E HN 0.137 nan 8.360 nan 0.000 0.479 102 A N 3.839 126.669 122.820 0.017 0.000 2.444 102 A HA 0.287 4.607 4.320 -0.000 0.000 0.273 102 A C -2.229 175.369 177.584 0.024 0.000 1.136 102 A CA -1.154 50.868 52.037 -0.024 0.000 0.799 102 A CB -0.240 18.755 19.000 -0.008 0.000 1.081 102 A HN -0.122 nan 8.150 nan 0.000 0.509 103 P HA 0.182 nan 4.420 nan 0.000 0.269 103 P C -0.547 176.810 177.300 0.095 0.000 1.209 103 P CA 0.166 63.291 63.100 0.041 0.000 0.776 103 P CB 0.460 32.246 31.700 0.143 0.000 0.876 104 I N 2.767 123.263 120.570 -0.122 0.000 2.315 104 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 104 I C -0.211 175.907 176.117 0.002 0.000 1.006 104 I CA -0.486 60.773 61.300 -0.069 0.000 1.265 104 I CB 0.411 38.203 38.000 -0.347 0.000 1.387 104 I HN 0.301 nan 8.210 nan 0.000 0.475 105 Y N 5.894 126.197 120.300 0.005 0.000 2.331 105 Y HA 0.529 5.079 4.550 -0.000 0.000 0.338 105 Y C 0.332 176.174 175.900 -0.098 0.000 0.992 105 Y CA -0.365 57.697 58.100 -0.064 0.000 1.121 105 Y CB 1.435 39.836 38.460 -0.097 0.000 1.184 105 Y HN 0.730 nan 8.280 nan 0.000 0.469 106 C N -0.693 118.586 119.300 -0.035 0.000 3.249 106 C HA 0.670 5.130 4.460 -0.000 0.000 0.350 106 C C 0.083 175.033 174.990 -0.065 0.000 1.431 106 C CA -1.012 57.995 59.018 -0.019 0.000 1.209 106 C CB 0.816 28.612 27.740 0.093 0.000 1.546 106 C HN 0.864 nan 8.230 nan 0.000 0.450 107 T N -1.811 112.728 114.554 -0.024 0.000 2.828 107 T HA 0.284 4.634 4.350 -0.000 0.000 0.290 107 T C 0.810 175.496 174.700 -0.022 0.000 1.019 107 T CA 0.737 62.822 62.100 -0.026 0.000 1.031 107 T CB 0.821 69.689 68.868 0.001 0.000 1.001 107 T HN 0.990 nan 8.240 nan 0.000 0.531 108 E N 0.013 120.194 120.200 -0.031 0.000 2.118 108 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 108 E C 1.927 178.499 176.600 -0.046 0.000 0.992 108 E CA 1.057 57.431 56.400 -0.044 0.000 0.804 108 E CB -0.143 29.533 29.700 -0.040 0.000 0.741 108 E HN 0.565 nan 8.360 nan 0.000 0.458 109 V N 1.052 120.950 119.914 -0.026 0.000 2.427 109 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 109 V C 2.419 178.508 176.094 -0.007 0.000 1.051 109 V CA 1.668 63.955 62.300 -0.021 0.000 1.048 109 V CB -0.637 31.181 31.823 -0.009 0.000 0.666 109 V HN 0.411 nan 8.190 nan 0.000 0.456 110 A N -0.215 122.617 122.820 0.020 0.000 2.019 110 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 110 A C 2.342 179.933 177.584 0.011 0.000 1.164 110 A CA 1.859 53.930 52.037 0.057 0.000 0.644 110 A CB -0.536 18.521 19.000 0.096 0.000 0.805 110 A HN 0.371 nan 8.150 nan 0.000 0.449 111 V N 0.542 120.416 119.914 -0.068 0.000 2.358 111 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 111 V C 2.456 178.416 176.094 -0.224 0.000 1.047 111 V CA 2.001 64.159 62.300 -0.236 0.000 1.035 111 V CB -0.598 31.002 31.823 -0.371 0.000 0.658 111 V HN 0.456 nan 8.190 nan 0.000 0.452 112 K N 1.010 121.327 120.400 -0.138 0.000 2.009 112 K HA -0.137 4.182 4.320 -0.000 0.000 0.210 112 K C 2.307 178.881 176.600 -0.044 0.000 1.049 112 K CA 1.741 57.969 56.287 -0.098 0.000 0.929 112 K CB -1.340 31.114 32.500 -0.076 0.000 0.714 112 K HN 0.502 nan 8.250 nan 0.000 0.440 113 G N 2.023 110.825 108.800 0.004 0.000 2.514 113 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 113 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 113 G C 1.566 176.548 174.900 0.136 0.000 1.198 113 G CA 0.799 45.955 45.100 0.093 0.000 0.780 113 G HN 0.122 nan 8.290 nan 0.000 0.565 114 L N 0.045 121.307 121.223 0.066 0.000 2.083 114 L HA 0.054 4.394 4.340 -0.000 0.000 0.209 114 L C 2.744 179.684 176.870 0.117 0.000 1.083 114 L CA 0.855 55.766 54.840 0.119 0.000 0.752 114 L CB -0.599 41.586 42.059 0.210 0.000 0.899 114 L HN 0.103 nan 8.230 nan 0.000 0.433 115 L N -1.084 120.143 121.223 0.007 0.000 2.156 115 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 115 L C 2.441 179.299 176.870 -0.021 0.000 1.095 115 L CA 1.271 56.102 54.840 -0.014 0.000 0.770 115 L CB -0.956 41.032 42.059 -0.117 0.000 0.914 115 L HN 0.244 nan 8.230 nan 0.000 0.439 116 K N -0.365 120.013 120.400 -0.036 0.000 2.002 116 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 116 K C 2.151 178.647 176.600 -0.174 0.000 1.048 116 K CA 1.519 57.752 56.287 -0.091 0.000 0.930 116 K CB -0.217 32.222 32.500 -0.101 0.000 0.714 116 K HN 0.281 nan 8.250 nan 0.000 0.438 117 H N -1.904 116.964 119.070 -0.336 0.000 2.319 117 H HA -0.066 4.490 4.556 -0.000 0.000 0.299 117 H C -0.094 174.795 175.328 -0.730 0.000 1.092 117 H CA 1.947 57.585 56.048 -0.682 0.000 1.302 117 H CB 0.019 29.043 29.762 -1.230 0.000 1.373 117 H HN 0.163 nan 8.280 nan 0.000 0.497 118 Y N -1.953 118.427 120.300 0.134 0.000 2.609 118 Y HA 0.295 4.845 4.550 -0.000 0.000 0.350 118 Y C -2.104 173.828 175.900 0.054 0.000 1.050 118 Y CA -2.891 55.252 58.100 0.072 0.000 1.290 118 Y CB 1.103 39.601 38.460 0.064 0.000 1.094 118 Y HN 0.008 nan 8.280 nan 0.000 0.583 119 P HA -0.164 nan 4.420 nan 0.000 0.222 119 P C 1.561 178.913 177.300 0.087 0.000 1.147 119 P CA 1.772 64.914 63.100 0.070 0.000 0.790 119 P CB 0.279 31.997 31.700 0.029 0.000 0.780 120 S N -0.949 114.815 115.700 0.107 0.000 2.507 120 S HA -0.069 4.401 4.470 -0.000 0.000 0.235 120 S C 1.384 176.044 174.600 0.101 0.000 0.988 120 S CA 0.667 58.922 58.200 0.091 0.000 0.944 120 S CB -1.409 61.839 63.200 0.080 0.000 0.762 120 S HN 0.147 nan 8.310 nan 0.000 0.526 121 L N 2.192 123.488 121.223 0.122 0.000 2.718 121 L HA 0.222 4.562 4.340 -0.000 0.000 0.242 121 L C 2.523 179.487 176.870 0.157 0.000 1.203 121 L CA -0.199 54.700 54.840 0.099 0.000 1.011 121 L CB -0.341 41.840 42.059 0.204 0.000 1.250 121 L HN 0.442 nan 8.230 nan 0.000 0.437 122 R N 0.223 120.789 120.500 0.110 0.000 2.075 122 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 122 R C 0.969 177.335 176.300 0.110 0.000 1.126 122 R CA 1.378 57.535 56.100 0.094 0.000 0.963 122 R CB -0.021 30.313 30.300 0.056 0.000 0.858 122 R HN 0.331 nan 8.270 nan 0.000 0.435 123 E N 0.666 120.924 120.200 0.096 0.000 2.496 123 E HA 0.282 4.632 4.350 -0.000 0.000 0.202 123 E C -0.835 175.806 176.600 0.068 0.000 1.021 123 E CA -0.363 56.091 56.400 0.091 0.000 1.015 123 E CB 1.048 30.795 29.700 0.078 0.000 1.102 123 E HN 0.458 nan 8.360 nan 0.000 0.452 124 A N 1.204 124.012 122.820 -0.020 0.000 2.371 124 A HA 0.166 4.486 4.320 -0.000 0.000 0.257 124 A C 0.044 177.517 177.584 -0.184 0.000 1.089 124 A CA -0.302 51.554 52.037 -0.302 0.000 0.794 124 A CB 0.441 18.941 19.000 -0.833 0.000 1.029 124 A HN 0.290 nan 8.150 nan 0.000 0.488 125 E N 0.923 120.995 120.200 -0.215 0.000 2.259 125 E HA 0.425 4.775 4.350 -0.000 0.000 0.281 125 E C -1.572 174.831 176.600 -0.329 0.000 1.037 125 E CA 0.038 56.361 56.400 -0.128 0.000 0.854 125 E CB 0.213 29.876 29.700 -0.063 0.000 1.051 125 E HN 0.400 nan 8.360 nan 0.000 0.409 126 F N 4.265 124.163 119.950 -0.087 0.000 2.467 126 F HA 0.360 4.887 4.527 -0.000 0.000 0.336 126 F C 0.001 175.686 175.800 -0.193 0.000 1.123 126 F CA -0.982 56.943 58.000 -0.125 0.000 0.964 126 F CB 1.581 40.523 39.000 -0.096 0.000 1.136 126 F HN 0.410 nan 8.300 nan 0.000 0.447 127 M N 3.677 123.150 119.600 -0.212 0.000 2.066 127 M HA 0.354 4.834 4.480 -0.000 0.000 0.340 127 M C -0.450 175.665 176.300 -0.308 0.000 1.053 127 M CA -0.103 54.958 55.300 -0.398 0.000 0.983 127 M CB 0.596 32.602 32.600 -0.990 0.000 1.520 127 M HN 0.537 nan 8.290 nan 0.000 0.428 128 T N 4.631 119.095 114.554 -0.149 0.000 2.919 128 T HA 0.530 4.880 4.350 -0.000 0.000 0.302 128 T C -0.312 174.317 174.700 -0.119 0.000 1.031 128 T CA -0.579 61.458 62.100 -0.105 0.000 1.127 128 T CB 0.179 69.011 68.868 -0.060 0.000 0.952 128 T HN 0.634 nan 8.240 nan 0.000 0.540 129 V N 0.341 120.181 119.914 -0.124 0.000 3.007 129 V HA 0.879 4.999 4.120 -0.000 0.000 0.311 129 V C -0.640 175.433 176.094 -0.036 0.000 1.120 129 V CA -1.298 60.941 62.300 -0.102 0.000 0.980 129 V CB 2.066 33.685 31.823 -0.340 0.000 1.033 129 V HN 1.012 nan 8.190 nan 0.000 0.429 130 K N 0.528 120.954 120.400 0.042 0.000 2.372 130 K HA 0.574 4.894 4.320 -0.000 0.000 0.251 130 K C -0.362 176.311 176.600 0.121 0.000 1.055 130 K CA -0.553 55.770 56.287 0.060 0.000 0.879 130 K CB 1.896 34.420 32.500 0.039 0.000 1.384 130 K HN 0.587 nan 8.250 nan 0.000 0.465 131 T N 0.437 115.048 114.554 0.097 0.000 2.905 131 T HA 0.199 4.549 4.350 -0.000 0.000 0.299 131 T C 1.086 175.850 174.700 0.108 0.000 1.024 131 T CA 2.025 64.189 62.100 0.107 0.000 1.151 131 T CB -0.155 68.752 68.868 0.066 0.000 0.987 131 T HN 0.900 nan 8.240 nan 0.000 0.535 132 G N 3.947 112.818 108.800 0.119 0.000 2.317 132 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.227 132 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.227 132 G C -0.019 174.948 174.900 0.113 0.000 1.042 132 G CA -0.125 45.030 45.100 0.092 0.000 0.623 132 G HN 0.685 nan 8.290 nan 0.000 0.509 133 D N 0.927 121.437 120.400 0.183 0.000 2.506 133 D HA 0.425 5.065 4.640 -0.000 0.000 0.234 133 D C 0.648 177.092 176.300 0.239 0.000 1.143 133 D CA 0.654 54.799 54.000 0.242 0.000 0.871 133 D CB 1.470 42.462 40.800 0.320 0.000 1.190 133 D HN 0.491 nan 8.370 nan 0.000 0.459 134 V N 2.225 122.234 119.914 0.158 0.000 2.680 134 V HA 0.429 4.549 4.120 -0.000 0.000 0.309 134 V C -0.353 175.765 176.094 0.039 0.000 1.052 134 V CA -1.057 61.250 62.300 0.011 0.000 0.908 134 V CB 1.913 33.725 31.823 -0.019 0.000 1.001 134 V HN 0.297 nan 8.190 nan 0.000 0.431 135 L N 2.965 124.107 121.223 -0.135 0.000 2.316 135 L HA 0.660 5.000 4.340 -0.000 0.000 0.280 135 L C -0.738 175.981 176.870 -0.252 0.000 1.006 135 L CA -0.001 54.710 54.840 -0.215 0.000 0.836 135 L CB 1.220 43.040 42.059 -0.398 0.000 1.221 135 L HN 0.741 nan 8.230 nan 0.000 0.418 136 D N 4.028 124.322 120.400 -0.176 0.000 2.280 136 D HA 0.267 4.907 4.640 -0.000 0.000 0.243 136 D C 0.581 176.809 176.300 -0.120 0.000 1.129 136 D CA 0.017 53.946 54.000 -0.118 0.000 0.848 136 D CB 1.022 41.791 40.800 -0.050 0.000 1.107 136 D HN 0.641 nan 8.370 nan 0.000 0.471 137 L N 2.711 123.877 121.223 -0.096 0.000 2.616 137 L HA 0.371 4.711 4.340 -0.000 0.000 0.229 137 L C 0.868 177.745 176.870 0.011 0.000 1.110 137 L CA 0.073 54.894 54.840 -0.031 0.000 0.884 137 L CB -0.043 41.995 42.059 -0.035 0.000 1.115 137 L HN 0.690 nan 8.230 nan 0.000 0.481 138 G N -0.130 108.669 108.800 -0.002 0.000 3.035 138 G HA2 0.123 4.083 3.960 -0.000 0.000 0.674 138 G HA3 0.123 4.083 3.960 -0.000 0.000 0.674 138 G C 0.644 175.546 174.900 0.003 0.000 1.159 138 G CA -0.247 44.858 45.100 0.008 0.000 1.098 138 G HN 0.420 nan 8.290 nan 0.000 0.473 139 G N 0.496 109.294 108.800 -0.003 0.000 2.189 139 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.267 139 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.267 139 G C 0.359 175.251 174.900 -0.012 0.000 0.975 139 G CA 1.437 46.533 45.100 -0.006 0.000 0.644 139 G HN 1.328 nan 8.290 nan 0.000 0.537 140 K N 0.921 121.309 120.400 -0.019 0.000 2.578 140 K HA 0.521 4.841 4.320 -0.000 0.000 0.250 140 K C -0.328 176.237 176.600 -0.059 0.000 0.955 140 K CA 0.016 56.286 56.287 -0.029 0.000 0.825 140 K CB 1.708 34.201 32.500 -0.013 0.000 1.151 140 K HN 0.286 nan 8.250 nan 0.000 0.432 141 T N 0.565 115.077 114.554 -0.070 0.000 2.797 141 T HA 0.496 4.846 4.350 -0.000 0.000 0.279 141 T C -0.510 174.102 174.700 -0.147 0.000 0.991 141 T CA -0.921 61.114 62.100 -0.108 0.000 0.979 141 T CB 0.853 69.669 68.868 -0.087 0.000 0.943 141 T HN 0.080 nan 8.240 nan 0.000 0.444 142 L N 3.424 124.501 121.223 -0.243 0.000 2.272 142 L HA 0.524 4.864 4.340 -0.000 0.000 0.289 142 L C 0.460 176.991 176.870 -0.564 0.000 1.032 142 L CA -0.108 54.502 54.840 -0.382 0.000 0.810 142 L CB 1.298 43.067 42.059 -0.483 0.000 1.205 142 L HN 0.909 nan 8.230 nan 0.000 0.422 143 T N 4.440 118.717 114.554 -0.463 0.000 2.797 143 T HA 0.590 4.940 4.350 -0.000 0.000 0.279 143 T C -0.303 174.154 174.700 -0.404 0.000 0.991 143 T CA -0.201 61.676 62.100 -0.371 0.000 0.979 143 T CB 0.517 69.305 68.868 -0.132 0.000 0.943 143 T HN 0.079 nan 8.240 nan 0.000 0.444 144 F N 2.474 122.472 119.950 0.079 0.000 2.422 144 F HA 0.689 5.216 4.527 -0.000 0.000 0.333 144 F C -0.050 175.805 175.800 0.092 0.000 1.095 144 F CA -1.185 56.876 58.000 0.102 0.000 1.038 144 F CB 1.206 40.267 39.000 0.102 0.000 1.156 144 F HN 0.257 nan 8.300 nan 0.000 0.483 145 L N 2.783 124.181 121.223 0.292 0.000 2.446 145 L HA 0.395 4.735 4.340 -0.000 0.000 0.268 145 L C -0.728 176.186 176.870 0.073 0.000 0.975 145 L CA -0.412 54.526 54.840 0.163 0.000 0.848 145 L CB 1.460 43.618 42.059 0.166 0.000 1.225 145 L HN 0.553 nan 8.230 nan 0.000 0.410 146 E N 2.523 122.745 120.200 0.036 0.000 2.417 146 E HA 0.238 4.588 4.350 -0.000 0.000 0.261 146 E C -0.264 176.253 176.600 -0.138 0.000 1.000 146 E CA 0.495 56.877 56.400 -0.031 0.000 0.919 146 E CB 0.487 30.182 29.700 -0.009 0.000 0.955 146 E HN 0.631 nan 8.360 nan 0.000 0.455 147 T N 1.261 115.681 114.554 -0.224 0.000 3.390 147 T HA 0.289 4.639 4.350 -0.000 0.000 0.351 147 T C -2.516 172.076 174.700 -0.179 0.000 1.759 147 T CA -2.239 59.675 62.100 -0.311 0.000 1.561 147 T CB 0.490 68.947 68.868 -0.685 0.000 1.011 147 T HN 0.135 nan 8.240 nan 0.000 0.689 148 P HA 0.163 nan 4.420 nan 0.000 0.269 148 P C 1.104 178.368 177.300 -0.060 0.000 1.209 148 P CA -0.209 62.853 63.100 -0.064 0.000 0.776 148 P CB 0.606 32.278 31.700 -0.047 0.000 0.876 149 L N -0.344 120.860 121.223 -0.031 0.000 4.179 149 L HA -0.223 4.117 4.340 -0.000 0.000 0.418 149 L C -0.181 176.689 176.870 -0.000 0.000 1.168 149 L CA 0.688 55.521 54.840 -0.011 0.000 0.972 149 L CB -1.847 40.197 42.059 -0.025 0.000 2.005 149 L HN 0.469 nan 8.230 nan 0.000 0.935 150 L N -0.606 120.602 121.223 -0.026 0.000 2.529 150 L HA 0.230 4.570 4.340 -0.000 0.000 0.246 150 L C 0.913 177.795 176.870 0.019 0.000 1.394 150 L CA -0.404 54.434 54.840 -0.003 0.000 0.906 150 L CB 0.538 42.547 42.059 -0.084 0.000 1.170 150 L HN 0.201 nan 8.230 nan 0.000 0.501 151 H N -2.081 116.938 119.070 -0.084 0.000 2.652 151 H HA 0.271 4.827 4.556 -0.000 0.000 0.274 151 H C -0.505 174.986 175.328 0.272 0.000 1.021 151 H CA -0.442 55.627 56.048 0.036 0.000 1.187 151 H CB 0.450 30.237 29.762 0.040 0.000 1.505 151 H HN 0.254 nan 8.280 nan 0.000 0.530 152 W N 0.307 121.352 121.300 -0.426 0.000 2.882 152 W HA 0.359 5.019 4.660 -0.000 0.000 0.345 152 W C -2.031 174.397 176.519 -0.151 0.000 1.125 152 W CA -3.172 53.995 57.345 -0.296 0.000 1.167 152 W CB 1.341 30.689 29.460 -0.188 0.000 1.431 152 W HN -0.149 nan 8.180 nan 0.000 0.543 153 P HA -0.190 nan 4.420 nan 0.000 0.218 153 P C 1.047 178.376 177.300 0.048 0.000 1.146 153 P CA 2.072 65.179 63.100 0.012 0.000 0.813 153 P CB 0.224 31.896 31.700 -0.046 0.000 0.778 154 D N -1.312 119.169 120.400 0.135 0.000 2.348 154 D HA -0.029 4.611 4.640 -0.000 0.000 0.211 154 D C 0.450 176.832 176.300 0.137 0.000 0.998 154 D CA 0.221 54.311 54.000 0.149 0.000 0.873 154 D CB -0.209 40.742 40.800 0.252 0.000 0.925 154 D HN 0.187 nan 8.370 nan 0.000 0.524 155 S N 0.404 116.158 115.700 0.091 0.000 2.632 155 S HA 0.581 5.051 4.470 -0.000 0.000 0.267 155 S C 0.284 174.877 174.600 -0.012 0.000 1.276 155 S CA -0.758 57.456 58.200 0.024 0.000 0.998 155 S CB 1.458 64.563 63.200 -0.159 0.000 0.953 155 S HN 0.421 nan 8.310 nan 0.000 0.547 156 M N -0.603 119.014 119.600 0.029 0.000 2.682 156 M HA 0.678 5.158 4.480 -0.000 0.000 0.272 156 M C -2.059 174.372 176.300 0.218 0.000 1.232 156 M CA -0.962 54.352 55.300 0.023 0.000 0.849 156 M CB 1.159 33.825 32.600 0.110 0.000 1.695 156 M HN 0.412 nan 8.290 nan 0.000 0.481 157 F N 0.532 120.577 119.950 0.159 0.000 2.422 157 F HA 0.701 5.228 4.527 -0.000 0.000 0.333 157 F C 0.159 176.099 175.800 0.233 0.000 1.095 157 F CA -0.895 57.213 58.000 0.180 0.000 1.038 157 F CB 2.041 41.130 39.000 0.149 0.000 1.156 157 F HN 0.586 nan 8.300 nan 0.000 0.483 158 T N 4.147 118.972 114.554 0.452 0.000 2.824 158 T HA 0.578 4.928 4.350 -0.000 0.000 0.280 158 T C -1.103 173.746 174.700 0.249 0.000 0.995 158 T CA -0.451 61.837 62.100 0.313 0.000 1.009 158 T CB 1.488 70.529 68.868 0.289 0.000 0.955 158 T HN 0.352 nan 8.240 nan 0.000 0.452 159 L N 3.905 125.173 121.223 0.075 0.000 2.362 159 L HA 0.722 5.062 4.340 -0.000 0.000 0.275 159 L C -1.425 175.425 176.870 -0.033 0.000 0.998 159 L CA -1.065 53.779 54.840 0.006 0.000 0.820 159 L CB 1.565 43.620 42.059 -0.007 0.000 1.270 159 L HN 0.547 nan 8.230 nan 0.000 0.415 160 L N 4.110 125.313 121.223 -0.034 0.000 2.277 160 L HA 0.412 4.752 4.340 -0.000 0.000 0.284 160 L C 0.737 177.565 176.870 -0.071 0.000 1.028 160 L CA 0.079 54.906 54.840 -0.022 0.000 0.835 160 L CB 0.912 43.025 42.059 0.089 0.000 1.215 160 L HN 0.825 nan 8.230 nan 0.000 0.425 161 D N 1.699 122.058 120.400 -0.067 0.000 2.149 161 D HA -0.217 4.423 4.640 -0.000 0.000 0.198 161 D C 1.409 177.672 176.300 -0.061 0.000 0.990 161 D CA 2.047 56.008 54.000 -0.065 0.000 0.839 161 D CB 0.529 41.296 40.800 -0.056 0.000 0.948 161 D HN 0.722 nan 8.370 nan 0.000 0.460 162 E N 0.073 120.241 120.200 -0.053 0.000 2.112 162 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 162 E C 1.190 177.757 176.600 -0.056 0.000 0.979 162 E CA 1.098 57.470 56.400 -0.047 0.000 0.814 162 E CB -0.618 29.061 29.700 -0.034 0.000 0.762 162 E HN 0.430 nan 8.360 nan 0.000 0.460 163 D N 0.360 120.720 120.400 -0.065 0.000 2.349 163 D HA 0.176 4.816 4.640 -0.000 0.000 0.215 163 D C 0.889 177.116 176.300 -0.121 0.000 1.016 163 D CA 0.901 54.850 54.000 -0.084 0.000 0.870 163 D CB 0.309 41.061 40.800 -0.080 0.000 0.917 163 D HN 0.356 nan 8.370 nan 0.000 0.524 164 G N 1.119 109.844 108.800 -0.126 0.000 2.283 164 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.280 164 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.280 164 G C 0.116 174.879 174.900 -0.227 0.000 1.029 164 G CA -0.106 44.903 45.100 -0.152 0.000 0.840 164 G HN 0.375 nan 8.290 nan 0.000 0.505 165 I N 0.052 120.437 120.570 -0.310 0.000 2.325 165 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 165 I C 0.440 176.178 176.117 -0.633 0.000 1.019 165 I CA -0.966 60.014 61.300 -0.533 0.000 1.302 165 I CB 1.378 38.928 38.000 -0.749 0.000 1.401 165 I HN 0.085 nan 8.210 nan 0.000 0.485 166 L N 8.465 129.367 121.223 -0.535 0.000 2.268 166 L HA 0.387 4.727 4.340 -0.000 0.000 0.289 166 L C -0.901 175.654 176.870 -0.524 0.000 1.064 166 L CA 0.221 54.797 54.840 -0.441 0.000 0.824 166 L CB -0.132 41.737 42.059 -0.316 0.000 1.202 166 L HN 0.222 nan 8.230 nan 0.000 0.433 167 F N 3.731 123.577 119.950 -0.172 0.000 2.434 167 F HA 0.227 4.754 4.527 -0.000 0.000 0.358 167 F C 1.470 177.217 175.800 -0.088 0.000 1.136 167 F CA -0.033 57.875 58.000 -0.155 0.000 1.157 167 F CB 0.452 39.395 39.000 -0.096 0.000 1.167 167 F HN 0.674 nan 8.300 nan 0.000 0.539 168 S N 0.938 116.631 115.700 -0.011 0.000 2.554 168 S HA 0.147 4.617 4.470 -0.000 0.000 0.226 168 S C 0.815 175.500 174.600 0.140 0.000 0.980 168 S CA -0.134 57.911 58.200 -0.258 0.000 0.939 168 S CB -0.778 62.211 63.200 -0.352 0.000 0.832 168 S HN 0.762 nan 8.310 nan 0.000 0.486 169 N N 2.327 121.143 118.700 0.194 0.000 1.149 169 N HA -0.281 4.459 4.740 -0.000 0.000 0.118 169 N C 0.218 175.782 175.510 0.090 0.000 0.756 169 N CA 2.216 55.335 53.050 0.115 0.000 0.861 169 N CB -1.288 37.276 38.487 0.128 0.000 1.099 169 N HN 0.262 nan 8.380 nan 0.000 0.597 170 D N 0.068 120.559 120.400 0.152 0.000 2.144 170 D HA -0.021 4.619 4.640 -0.000 0.000 0.199 170 D C 0.462 176.871 176.300 0.182 0.000 0.984 170 D CA 1.344 55.525 54.000 0.302 0.000 0.834 170 D CB -0.758 40.312 40.800 0.451 0.000 0.955 170 D HN 0.630 nan 8.370 nan 0.000 0.465 171 A N -0.296 122.594 122.820 0.118 0.000 2.566 171 A HA 0.081 4.401 4.320 -0.000 0.000 0.245 171 A C 0.251 177.635 177.584 -0.333 0.000 1.056 171 A CA 0.172 52.105 52.037 -0.173 0.000 0.757 171 A CB -0.791 18.032 19.000 -0.294 0.000 0.979 171 A HN 0.388 nan 8.150 nan 0.000 0.508 172 F N -0.430 119.504 119.950 -0.028 0.000 2.748 172 F HA -0.250 4.277 4.527 -0.000 0.000 0.370 172 F C 1.412 177.235 175.800 0.038 0.000 0.620 172 F CA 0.441 58.349 58.000 -0.154 0.000 1.233 172 F CB -1.763 37.038 39.000 -0.333 0.000 1.708 172 F HN 0.942 nan 8.300 nan 0.000 0.298 173 G N 0.150 108.817 108.800 -0.223 0.000 2.667 173 G HA2 0.480 4.440 3.960 -0.000 0.000 0.250 173 G HA3 0.480 4.440 3.960 -0.000 0.000 0.250 173 G C -0.404 174.036 174.900 -0.768 0.000 1.212 173 G CA 0.068 44.834 45.100 -0.557 0.000 0.874 173 G HN 0.273 nan 8.290 nan 0.000 0.561 174 Q N -0.950 118.573 119.800 -0.462 0.000 2.391 174 Q HA 0.311 4.651 4.340 -0.000 0.000 0.279 174 Q C -1.290 174.639 176.000 -0.117 0.000 1.028 174 Q CA -0.781 54.923 55.803 -0.165 0.000 0.836 174 Q CB 1.777 30.554 28.738 0.065 0.000 1.414 174 Q HN 0.601 nan 8.270 nan 0.000 0.397 175 H N 2.139 121.339 119.070 0.217 0.000 2.872 175 H HA 0.505 5.061 4.556 -0.000 0.000 0.273 175 H C -0.825 174.548 175.328 0.076 0.000 1.205 175 H CA 0.017 56.126 56.048 0.102 0.000 1.342 175 H CB 0.053 29.866 29.762 0.085 0.000 1.469 175 H HN 0.417 nan 8.280 nan 0.000 0.487 176 L N 2.051 123.327 121.223 0.089 0.000 2.513 176 L HA 0.219 4.559 4.340 -0.000 0.000 0.261 176 L C -0.692 176.130 176.870 -0.081 0.000 0.945 176 L CA -0.577 54.277 54.840 0.024 0.000 0.848 176 L CB 2.812 44.874 42.059 0.005 0.000 1.334 176 L HN 0.504 nan 8.230 nan 0.000 0.407 177 C N 3.183 122.413 119.300 -0.117 0.000 2.301 177 C HA 0.754 5.214 4.460 -0.000 0.000 0.313 177 C C -0.095 174.732 174.990 -0.272 0.000 1.121 177 C CA -0.532 58.302 59.018 -0.306 0.000 1.507 177 C CB -1.094 26.399 27.740 -0.411 0.000 1.975 177 C HN 0.852 nan 8.230 nan 0.000 0.425 178 C N 6.781 125.930 119.300 -0.252 0.000 2.614 178 C HA 0.582 5.042 4.460 -0.000 0.000 0.320 178 C C -0.718 174.190 174.990 -0.136 0.000 1.200 178 C CA -0.861 58.100 59.018 -0.094 0.000 1.700 178 C CB 1.947 29.643 27.740 -0.074 0.000 2.275 178 C HN 0.688 nan 8.230 nan 0.000 0.492 179 P HA -0.082 nan 4.420 nan 0.000 0.221 179 P C -0.071 177.175 177.300 -0.090 0.000 1.150 179 P CA 1.189 64.320 63.100 0.051 0.000 0.800 179 P CB 0.258 32.056 31.700 0.163 0.000 0.787 180 Q N -0.175 119.564 119.800 -0.101 0.000 2.327 180 Q HA 0.195 4.535 4.340 -0.000 0.000 0.254 180 Q C 1.371 177.224 176.000 -0.245 0.000 0.952 180 Q CA 0.207 55.923 55.803 -0.146 0.000 0.884 180 Q CB 0.672 29.347 28.738 -0.105 0.000 1.224 180 Q HN 0.007 nan 8.270 nan 0.000 0.422 181 R N 1.311 121.638 120.500 -0.289 0.000 2.282 181 R HA 0.262 4.602 4.340 -0.000 0.000 0.195 181 R C -0.041 176.083 176.300 -0.294 0.000 0.909 181 R CA 0.183 56.047 56.100 -0.393 0.000 1.039 181 R CB 0.238 30.219 30.300 -0.531 0.000 1.015 181 R HN 0.502 nan 8.270 nan 0.000 0.513 182 L N 1.709 122.794 121.223 -0.229 0.000 2.352 182 L HA 0.146 4.486 4.340 -0.000 0.000 0.269 182 L C 1.378 178.094 176.870 -0.257 0.000 1.034 182 L CA -0.713 53.999 54.840 -0.214 0.000 0.806 182 L CB 1.123 43.092 42.059 -0.150 0.000 1.244 182 L HN -0.017 nan 8.230 nan 0.000 0.447 183 D N 1.109 121.313 120.400 -0.327 0.000 2.123 183 D HA -0.250 4.390 4.640 -0.000 0.000 0.196 183 D C 1.542 177.722 176.300 -0.200 0.000 0.992 183 D CA 1.541 55.303 54.000 -0.395 0.000 0.833 183 D CB -0.236 40.236 40.800 -0.548 0.000 0.954 183 D HN 0.615 nan 8.370 nan 0.000 0.455 184 R N 0.269 120.694 120.500 -0.125 0.000 2.323 184 R HA 0.159 4.499 4.340 -0.000 0.000 0.198 184 R C 1.310 177.573 176.300 -0.062 0.000 0.988 184 R CA 0.587 56.647 56.100 -0.066 0.000 1.041 184 R CB -0.354 29.919 30.300 -0.046 0.000 0.926 184 R HN 0.190 nan 8.270 nan 0.000 0.476 185 E N 0.999 121.148 120.200 -0.086 0.000 2.498 185 E HA 0.193 4.543 4.350 -0.000 0.000 0.203 185 E C 0.392 176.958 176.600 -0.057 0.000 1.013 185 E CA -0.121 56.236 56.400 -0.071 0.000 0.927 185 E CB 0.488 30.134 29.700 -0.089 0.000 1.012 185 E HN 0.476 nan 8.360 nan 0.000 0.482 186 I N -2.976 117.558 120.570 -0.059 0.000 3.108 186 I HA 0.583 4.753 4.170 -0.000 0.000 0.312 186 I C -2.712 173.404 176.117 -0.002 0.000 1.095 186 I CA -3.042 58.239 61.300 -0.032 0.000 1.000 186 I CB 1.494 39.465 38.000 -0.048 0.000 1.229 186 I HN -0.325 nan 8.210 nan 0.000 0.454 187 P HA 0.078 nan 4.420 nan 0.000 0.265 187 P C -0.161 177.190 177.300 0.086 0.000 1.193 187 P CA 0.096 63.235 63.100 0.066 0.000 0.765 187 P CB 0.673 32.429 31.700 0.094 0.000 0.823 188 E N 2.671 122.930 120.200 0.099 0.000 2.152 188 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 188 E C 1.569 178.259 176.600 0.149 0.000 0.983 188 E CA 1.165 57.631 56.400 0.109 0.000 0.818 188 E CB -1.046 28.717 29.700 0.105 0.000 0.758 188 E HN 0.500 nan 8.360 nan 0.000 0.467 189 Y N 1.075 121.424 120.300 0.081 0.000 2.053 189 Y HA -0.250 4.300 4.550 -0.000 0.000 0.277 189 Y C 2.000 177.966 175.900 0.110 0.000 1.159 189 Y CA 2.152 60.311 58.100 0.097 0.000 1.125 189 Y CB -0.220 38.287 38.460 0.078 0.000 0.969 189 Y HN 0.055 nan 8.280 nan 0.000 0.492 190 I N -0.151 120.591 120.570 0.287 0.000 2.194 190 I HA -0.299 3.871 4.170 -0.000 0.000 0.246 190 I C 2.423 178.599 176.117 0.099 0.000 1.093 190 I CA 1.431 62.848 61.300 0.196 0.000 1.355 190 I CB -1.493 36.606 38.000 0.165 0.000 1.046 190 I HN 0.416 nan 8.210 nan 0.000 0.413 191 L N 0.316 121.585 121.223 0.076 0.000 1.976 191 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 191 L C 2.401 179.369 176.870 0.163 0.000 1.071 191 L CA 1.937 56.812 54.840 0.058 0.000 0.746 191 L CB -0.538 41.515 42.059 -0.009 0.000 0.890 191 L HN 0.067 nan 8.230 nan 0.000 0.432 192 M N -0.972 118.725 119.600 0.162 0.000 2.229 192 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 192 M C 1.991 178.402 176.300 0.184 0.000 1.063 192 M CA 1.353 56.800 55.300 0.245 0.000 1.114 192 M CB -1.443 31.268 32.600 0.184 0.000 1.387 192 M HN 0.333 nan 8.290 nan 0.000 0.420 193 D N 0.321 120.703 120.400 -0.030 0.000 2.144 193 D HA -0.009 4.631 4.640 -0.000 0.000 0.200 193 D C 1.917 178.274 176.300 0.095 0.000 0.978 193 D CA 1.409 55.375 54.000 -0.057 0.000 0.833 193 D CB 0.232 40.873 40.800 -0.265 0.000 0.961 193 D HN 0.262 nan 8.370 nan 0.000 0.470 194 A N 0.429 123.339 122.820 0.149 0.000 1.898 194 A HA 0.066 4.386 4.320 -0.000 0.000 0.216 194 A C 2.332 180.100 177.584 0.306 0.000 1.181 194 A CA 1.930 54.104 52.037 0.228 0.000 0.620 194 A CB -0.942 18.178 19.000 0.200 0.000 0.819 194 A HN 0.270 nan 8.150 nan 0.000 0.442 195 A N -0.123 122.903 122.820 0.343 0.000 1.908 195 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 195 A C 2.254 180.021 177.584 0.305 0.000 1.181 195 A CA 1.849 54.173 52.037 0.478 0.000 0.627 195 A CB -0.509 18.920 19.000 0.714 0.000 0.818 195 A HN 0.578 nan 8.150 nan 0.000 0.445 196 R N -0.250 120.315 120.500 0.108 0.000 2.073 196 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 196 R C 2.261 178.415 176.300 -0.244 0.000 1.134 196 R CA 1.904 57.742 56.100 -0.436 0.000 0.952 196 R CB -0.281 29.971 30.300 -0.079 0.000 0.850 196 R HN 0.510 nan 8.270 nan 0.000 0.433 197 K N -0.538 119.880 120.400 0.031 0.000 2.057 197 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 197 K C 1.898 178.647 176.600 0.249 0.000 1.049 197 K CA 1.566 57.911 56.287 0.097 0.000 0.931 197 K CB -0.215 32.367 32.500 0.137 0.000 0.714 197 K HN 0.155 nan 8.250 nan 0.000 0.440 198 F N 0.169 120.251 119.950 0.220 0.000 2.134 198 F HA -0.232 4.295 4.527 -0.000 0.000 0.299 198 F C 2.103 177.951 175.800 0.080 0.000 1.097 198 F CA 1.509 59.657 58.000 0.247 0.000 1.264 198 F CB -0.309 38.804 39.000 0.189 0.000 1.001 198 F HN 0.096 nan 8.300 nan 0.000 0.479 199 Y N 0.319 120.654 120.300 0.059 0.000 2.145 199 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 199 Y C 2.409 178.146 175.900 -0.271 0.000 1.145 199 Y CA 1.748 59.699 58.100 -0.249 0.000 1.148 199 Y CB -0.703 37.321 38.460 -0.728 0.000 0.981 199 Y HN 0.076 nan 8.280 nan 0.000 0.507 200 A N 0.247 123.046 122.820 -0.036 0.000 1.933 200 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 200 A C 1.941 179.479 177.584 -0.077 0.000 1.175 200 A CA 1.993 54.018 52.037 -0.020 0.000 0.628 200 A CB -0.645 18.371 19.000 0.026 0.000 0.814 200 A HN 0.652 nan 8.150 nan 0.000 0.444 201 N N -1.230 117.457 118.700 -0.023 0.000 2.392 201 N HA 0.173 4.913 4.740 -0.000 0.000 0.177 201 N C 1.181 176.643 175.510 -0.081 0.000 1.066 201 N CA 0.806 53.880 53.050 0.039 0.000 0.895 201 N CB 0.367 39.015 38.487 0.269 0.000 0.988 201 N HN 0.450 nan 8.380 nan 0.000 0.457 202 L N -0.431 120.658 121.223 -0.224 0.000 2.806 202 L HA 0.245 4.585 4.340 -0.000 0.000 0.242 202 L C 1.260 177.954 176.870 -0.294 0.000 1.068 202 L CA 0.137 54.802 54.840 -0.290 0.000 0.923 202 L CB 0.461 42.183 42.059 -0.561 0.000 1.364 202 L HN -0.063 nan 8.230 nan 0.000 0.511 203 I N -0.770 119.518 120.570 -0.471 0.000 3.708 203 I HA 0.015 4.185 4.170 -0.000 0.000 0.302 203 I C 2.251 177.969 176.117 -0.665 0.000 1.255 203 I CA 0.678 61.596 61.300 -0.638 0.000 1.362 203 I CB -1.120 36.241 38.000 -1.064 0.000 1.100 203 I HN 0.080 nan 8.210 nan 0.000 0.434 204 T N 3.533 117.724 114.554 -0.606 0.000 2.649 204 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 204 T C -0.430 174.082 174.700 -0.312 0.000 1.036 204 T CA 2.033 63.883 62.100 -0.415 0.000 1.157 204 T CB -1.341 67.165 68.868 -0.602 0.000 0.861 204 T HN 0.285 nan 8.240 nan 0.000 0.445 205 P HA 0.143 nan 4.420 nan 0.000 0.233 205 P C 0.998 178.223 177.300 -0.125 0.000 1.167 205 P CA 0.693 63.682 63.100 -0.185 0.000 0.770 205 P CB -0.267 31.341 31.700 -0.153 0.000 0.837 206 L N -1.330 119.810 121.223 -0.139 0.000 2.607 206 L HA 0.146 4.486 4.340 -0.000 0.000 0.228 206 L C 2.125 178.950 176.870 -0.076 0.000 1.123 206 L CA 0.111 54.893 54.840 -0.096 0.000 0.890 206 L CB -0.693 41.310 42.059 -0.092 0.000 1.103 206 L HN -0.115 nan 8.230 nan 0.000 0.468 207 S N 0.838 116.504 115.700 -0.056 0.000 2.380 207 S HA -0.242 4.228 4.470 -0.000 0.000 0.229 207 S C 1.980 176.594 174.600 0.024 0.000 1.043 207 S CA 1.706 59.929 58.200 0.038 0.000 1.038 207 S CB -0.090 63.165 63.200 0.091 0.000 0.872 207 S HN 0.450 nan 8.310 nan 0.000 0.456 208 K N 0.311 120.710 120.400 -0.002 0.000 2.057 208 K HA 0.021 4.341 4.320 -0.000 0.000 0.206 208 K C 1.880 178.465 176.600 -0.024 0.000 1.050 208 K CA 0.813 57.098 56.287 -0.002 0.000 0.935 208 K CB -0.255 32.242 32.500 -0.006 0.000 0.715 208 K HN 0.138 nan 8.250 nan 0.000 0.439 209 L N 0.711 121.908 121.223 -0.043 0.000 2.046 209 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 209 L C 2.223 179.026 176.870 -0.112 0.000 1.077 209 L CA 1.348 56.150 54.840 -0.064 0.000 0.747 209 L CB -0.878 41.143 42.059 -0.064 0.000 0.896 209 L HN -0.034 nan 8.230 nan 0.000 0.432 210 V N -0.398 119.435 119.914 -0.135 0.000 2.252 210 V HA -0.335 3.785 4.120 -0.000 0.000 0.249 210 V C 2.522 178.340 176.094 -0.459 0.000 1.056 210 V CA 1.884 64.009 62.300 -0.292 0.000 1.022 210 V CB -0.442 31.302 31.823 -0.131 0.000 0.641 210 V HN 0.343 nan 8.190 nan 0.000 0.445 211 L N -0.718 120.409 121.223 -0.160 0.000 1.994 211 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 211 L C 2.620 179.514 176.870 0.040 0.000 1.071 211 L CA 1.887 56.732 54.840 0.007 0.000 0.745 211 L CB -0.721 41.389 42.059 0.085 0.000 0.892 211 L HN 0.267 nan 8.230 nan 0.000 0.431 212 K N 0.078 120.481 120.400 0.005 0.000 2.063 212 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 212 K C 2.184 178.803 176.600 0.032 0.000 1.048 212 K CA 1.419 57.721 56.287 0.024 0.000 0.928 212 K CB -0.124 32.377 32.500 0.003 0.000 0.713 212 K HN 0.002 nan 8.250 nan 0.000 0.442 213 K N 0.181 120.564 120.400 -0.029 0.000 2.211 213 K HA -0.065 4.255 4.320 -0.000 0.000 0.203 213 K C 1.642 178.340 176.600 0.163 0.000 1.050 213 K CA 0.960 57.250 56.287 0.006 0.000 0.945 213 K CB -0.041 32.414 32.500 -0.076 0.000 0.732 213 K HN -0.028 nan 8.250 nan 0.000 0.451 214 F N 1.203 121.226 119.950 0.122 0.000 2.146 214 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 214 F C 1.697 177.541 175.800 0.074 0.000 1.096 214 F CA 1.124 59.192 58.000 0.114 0.000 1.275 214 F CB -0.788 38.280 39.000 0.113 0.000 1.008 214 F HN 0.085 nan 8.300 nan 0.000 0.480 215 D N -0.218 120.331 120.400 0.248 0.000 2.117 215 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 215 D C 2.235 178.602 176.300 0.112 0.000 0.982 215 D CA 1.147 55.233 54.000 0.143 0.000 0.828 215 D CB -0.387 40.474 40.800 0.103 0.000 0.967 215 D HN 0.316 nan 8.370 nan 0.000 0.464 216 E N 0.489 120.755 120.200 0.109 0.000 2.208 216 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 216 E C 1.863 178.522 176.600 0.100 0.000 0.988 216 E CA 0.436 56.887 56.400 0.084 0.000 0.828 216 E CB 0.299 30.037 29.700 0.064 0.000 0.763 216 E HN 0.063 nan 8.360 nan 0.000 0.478 217 V N 1.046 121.048 119.914 0.146 0.000 2.453 217 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 217 V C 2.426 178.576 176.094 0.092 0.000 1.048 217 V CA 1.686 64.073 62.300 0.145 0.000 1.049 217 V CB -0.361 31.596 31.823 0.224 0.000 0.672 217 V HN 0.157 nan 8.190 nan 0.000 0.457 218 K N 0.028 120.481 120.400 0.089 0.000 2.057 218 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 218 K C 2.178 178.801 176.600 0.038 0.000 1.050 218 K CA 1.631 57.947 56.287 0.048 0.000 0.935 218 K CB -0.062 32.467 32.500 0.047 0.000 0.715 218 K HN 0.524 nan 8.250 nan 0.000 0.439 219 E N 0.366 120.594 120.200 0.047 0.000 2.072 219 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 219 E C 1.866 178.484 176.600 0.031 0.000 0.985 219 E CA 0.953 57.375 56.400 0.036 0.000 0.801 219 E CB 0.024 29.747 29.700 0.038 0.000 0.750 219 E HN 0.222 nan 8.360 nan 0.000 0.452 220 L N -0.396 120.851 121.223 0.039 0.000 2.362 220 L HA -0.029 4.311 4.340 -0.000 0.000 0.219 220 L C 1.080 177.964 176.870 0.024 0.000 1.134 220 L CA 0.612 55.472 54.840 0.033 0.000 0.807 220 L CB -0.167 41.918 42.059 0.044 0.000 0.927 220 L HN 0.366 nan 8.230 nan 0.000 0.447 221 G N -0.215 108.598 108.800 0.021 0.000 2.248 221 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.252 221 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.252 221 G C 0.428 175.328 174.900 0.001 0.000 1.085 221 G CA 0.152 45.257 45.100 0.007 0.000 0.845 221 G HN 0.328 nan 8.290 nan 0.000 0.494 222 L N -1.255 119.974 121.223 0.010 0.000 2.638 222 L HA 0.358 4.698 4.340 -0.000 0.000 0.232 222 L C 2.659 179.516 176.870 -0.021 0.000 1.099 222 L CA -0.055 54.786 54.840 0.002 0.000 0.883 222 L CB -0.047 42.029 42.059 0.030 0.000 1.136 222 L HN 0.293 nan 8.230 nan 0.000 0.492 223 L N 0.735 121.942 121.223 -0.025 0.000 2.093 223 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 223 L C 2.660 179.479 176.870 -0.084 0.000 1.085 223 L CA 1.546 56.347 54.840 -0.065 0.000 0.755 223 L CB -0.225 41.790 42.059 -0.072 0.000 0.904 223 L HN 0.377 nan 8.230 nan 0.000 0.435 224 E N 0.417 120.578 120.200 -0.065 0.000 2.110 224 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 224 E C 1.893 178.449 176.600 -0.073 0.000 0.988 224 E CA 1.242 57.602 56.400 -0.067 0.000 0.804 224 E CB -0.325 29.345 29.700 -0.050 0.000 0.745 224 E HN 0.488 nan 8.360 nan 0.000 0.458 225 R N 0.727 121.186 120.500 -0.069 0.000 2.323 225 R HA 0.229 4.569 4.340 -0.000 0.000 0.198 225 R C 0.351 176.590 176.300 -0.101 0.000 0.988 225 R CA 0.243 56.298 56.100 -0.075 0.000 1.041 225 R CB -0.259 30.004 30.300 -0.062 0.000 0.926 225 R HN 0.190 nan 8.270 nan 0.000 0.476 226 I N 2.242 122.742 120.570 -0.118 0.000 2.308 226 I HA 0.016 4.186 4.170 -0.000 0.000 0.293 226 I C 0.890 176.908 176.117 -0.164 0.000 1.078 226 I CA 0.033 61.239 61.300 -0.157 0.000 1.292 226 I CB 1.230 39.121 38.000 -0.182 0.000 1.423 226 I HN 0.103 nan 8.210 nan 0.000 0.493 227 Q N 5.739 125.441 119.800 -0.163 0.000 2.350 227 Q HA 0.342 4.682 4.340 -0.000 0.000 0.225 227 Q C 0.105 176.014 176.000 -0.152 0.000 0.878 227 Q CA 0.459 56.176 55.803 -0.143 0.000 0.935 227 Q CB 1.550 30.216 28.738 -0.120 0.000 1.099 227 Q HN 0.672 nan 8.270 nan 0.000 0.527 228 M N 0.406 119.890 119.600 -0.192 0.000 2.413 228 M HA 0.437 4.917 4.480 -0.000 0.000 0.287 228 M C -1.969 174.177 176.300 -0.256 0.000 1.186 228 M CA -0.390 54.794 55.300 -0.193 0.000 0.927 228 M CB 2.230 34.711 32.600 -0.199 0.000 1.715 228 M HN -0.100 nan 8.290 nan 0.000 0.478 229 I N 3.524 123.981 120.570 -0.188 0.000 2.410 229 I HA 0.560 4.730 4.170 -0.000 0.000 0.286 229 I C -0.489 175.578 176.117 -0.083 0.000 1.009 229 I CA -0.628 60.548 61.300 -0.207 0.000 1.111 229 I CB 1.960 39.777 38.000 -0.306 0.000 1.262 229 I HN 0.801 nan 8.210 nan 0.000 0.443 230 A N 9.114 131.811 122.820 -0.205 0.000 2.508 230 A HA 0.709 5.029 4.320 -0.000 0.000 0.336 230 A C -2.625 174.991 177.584 0.054 0.000 1.360 230 A CA -1.433 50.515 52.037 -0.149 0.000 0.841 230 A CB 0.070 18.713 19.000 -0.596 0.000 1.136 230 A HN 0.317 nan 8.150 nan 0.000 0.489 231 P HA 0.256 nan 4.420 nan 0.000 0.293 231 P C 0.819 178.283 177.300 0.274 0.000 1.304 231 P CA -0.288 62.931 63.100 0.198 0.000 0.767 231 P CB 0.945 32.745 31.700 0.167 0.000 1.247 232 S N -3.095 112.675 115.700 0.116 0.000 2.575 232 S HA 0.101 4.570 4.470 -0.000 0.000 0.215 232 S C 0.392 174.901 174.600 -0.152 0.000 0.966 232 S CA 0.141 58.342 58.200 0.001 0.000 0.911 232 S CB -0.714 62.281 63.200 -0.343 0.000 0.780 232 S HN 0.414 nan 8.310 nan 0.000 0.514 233 H N 0.490 119.640 119.070 0.132 0.000 2.667 233 H HA 0.569 5.125 4.556 -0.000 0.000 0.353 233 H C 0.945 176.231 175.328 -0.071 0.000 1.072 233 H CA 0.075 56.136 56.048 0.023 0.000 1.214 233 H CB 1.317 31.024 29.762 -0.092 0.000 1.600 233 H HN 0.396 nan 8.280 nan 0.000 0.527 234 G N 2.685 111.512 108.800 0.045 0.000 2.525 234 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 234 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 234 G C -0.527 174.297 174.900 -0.127 0.000 1.238 234 G CA -0.642 44.420 45.100 -0.064 0.000 0.926 234 G HN 0.526 nan 8.290 nan 0.000 0.574 235 Q N -0.051 119.604 119.800 -0.242 0.000 2.373 235 Q HA 0.544 4.884 4.340 -0.000 0.000 0.255 235 Q C 0.723 176.491 176.000 -0.386 0.000 0.980 235 Q CA -0.110 55.472 55.803 -0.369 0.000 0.882 235 Q CB 0.840 29.264 28.738 -0.523 0.000 1.249 235 Q HN 0.552 nan 8.270 nan 0.000 0.438 236 I N 1.385 121.782 120.570 -0.289 0.000 2.441 236 I HA 0.066 4.236 4.170 -0.000 0.000 0.287 236 I C -0.296 175.651 176.117 -0.283 0.000 1.049 236 I CA -0.315 60.875 61.300 -0.183 0.000 1.381 236 I CB 0.505 38.467 38.000 -0.063 0.000 1.409 236 I HN 0.400 nan 8.210 nan 0.000 0.523 237 W N 5.578 126.806 121.300 -0.119 0.000 2.507 237 W HA 0.195 4.855 4.660 -0.000 0.000 0.334 237 W C 1.624 178.047 176.519 -0.160 0.000 1.165 237 W CA -0.529 56.729 57.345 -0.145 0.000 1.460 237 W CB 0.428 29.769 29.460 -0.199 0.000 1.404 237 W HN 0.572 nan 8.180 nan 0.000 0.435 238 T N -2.486 112.085 114.554 0.029 0.000 3.055 238 T HA -0.121 4.229 4.350 -0.000 0.000 0.265 238 T C 0.380 175.082 174.700 0.003 0.000 1.111 238 T CA 0.634 62.725 62.100 -0.016 0.000 1.118 238 T CB 0.017 68.859 68.868 -0.044 0.000 0.909 238 T HN 0.212 nan 8.240 nan 0.000 0.501 239 D N 2.454 122.899 120.400 0.075 0.000 2.485 239 D HA 0.299 4.939 4.640 -0.000 0.000 0.256 239 D C -1.569 174.724 176.300 -0.012 0.000 1.141 239 D CA -2.704 51.316 54.000 0.034 0.000 0.942 239 D CB 1.553 42.386 40.800 0.056 0.000 1.003 239 D HN 0.059 nan 8.370 nan 0.000 0.507 240 P HA -0.177 nan 4.420 nan 0.000 0.216 240 P C 1.659 178.706 177.300 -0.420 0.000 1.150 240 P CA 0.770 63.680 63.100 -0.316 0.000 0.843 240 P CB 0.265 31.777 31.700 -0.312 0.000 0.787 241 M N -0.376 119.047 119.600 -0.295 0.000 2.296 241 M HA -0.097 4.383 4.480 -0.000 0.000 0.265 241 M C 2.158 178.275 176.300 -0.305 0.000 1.064 241 M CA 1.272 56.393 55.300 -0.299 0.000 1.109 241 M CB -1.349 31.124 32.600 -0.212 0.000 1.396 241 M HN 0.003 nan 8.290 nan 0.000 0.430 242 K N 0.134 120.380 120.400 -0.257 0.000 2.044 242 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 242 K C 1.905 178.260 176.600 -0.408 0.000 1.049 242 K CA 1.496 57.644 56.287 -0.233 0.000 0.927 242 K CB -0.199 32.269 32.500 -0.052 0.000 0.713 242 K HN 0.176 nan 8.250 nan 0.000 0.443 243 I N 0.919 121.044 120.570 -0.742 0.000 2.584 243 I HA -0.105 4.065 4.170 -0.000 0.000 0.255 243 I C 1.794 177.624 176.117 -0.478 0.000 1.145 243 I CA 0.809 61.593 61.300 -0.860 0.000 1.462 243 I CB 0.043 36.929 38.000 -1.855 0.000 1.102 243 I HN 0.167 nan 8.210 nan 0.000 0.433 244 I N 0.435 120.663 120.570 -0.569 0.000 2.179 244 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 244 I C 2.313 178.272 176.117 -0.263 0.000 1.088 244 I CA 1.410 62.452 61.300 -0.431 0.000 1.357 244 I CB -0.496 37.125 38.000 -0.633 0.000 1.051 244 I HN 0.245 nan 8.210 nan 0.000 0.409 245 E N 0.898 120.924 120.200 -0.290 0.000 2.085 245 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 245 E C 2.333 178.776 176.600 -0.262 0.000 0.994 245 E CA 1.487 57.746 56.400 -0.235 0.000 0.801 245 E CB -0.229 29.336 29.700 -0.225 0.000 0.743 245 E HN 0.553 nan 8.360 nan 0.000 0.453 246 A N 0.756 123.369 122.820 -0.344 0.000 1.877 246 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 246 A C 1.928 179.102 177.584 -0.684 0.000 1.186 246 A CA 1.224 52.836 52.037 -0.709 0.000 0.620 246 A CB -0.785 17.745 19.000 -0.783 0.000 0.822 246 A HN 0.227 nan 8.150 nan 0.000 0.443 247 Y N 1.001 121.184 120.300 -0.195 0.000 2.224 247 Y HA -0.163 4.387 4.550 -0.000 0.000 0.289 247 Y C 2.970 179.003 175.900 0.221 0.000 1.146 247 Y CA 1.690 59.950 58.100 0.267 0.000 1.182 247 Y CB -0.997 37.870 38.460 0.680 0.000 0.983 247 Y HN 0.319 nan 8.280 nan 0.000 0.524 248 T N -0.952 113.786 114.554 0.305 0.000 2.708 248 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 248 T C 2.267 176.995 174.700 0.047 0.000 1.037 248 T CA 1.467 63.706 62.100 0.231 0.000 1.146 248 T CB -0.988 67.940 68.868 0.100 0.000 0.865 248 T HN 0.535 nan 8.240 nan 0.000 0.435 249 G N 0.651 109.373 108.800 -0.129 0.000 2.459 249 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 249 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 249 G C 1.368 176.184 174.900 -0.140 0.000 1.183 249 G CA 0.657 45.641 45.100 -0.194 0.000 0.776 249 G HN 0.436 nan 8.290 nan 0.000 0.552 250 W N 1.024 122.187 121.300 -0.229 0.000 2.363 250 W HA 0.086 4.746 4.660 -0.000 0.000 0.296 250 W C 2.916 179.284 176.519 -0.253 0.000 1.212 250 W CA 0.960 58.049 57.345 -0.427 0.000 1.260 250 W CB -1.038 27.727 29.460 -1.158 0.000 1.131 250 W HN 0.346 nan 8.180 nan 0.000 0.530 251 A N 0.036 122.914 122.820 0.096 0.000 2.014 251 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 251 A C 1.810 179.475 177.584 0.134 0.000 1.163 251 A CA 2.123 54.283 52.037 0.205 0.000 0.652 251 A CB -0.975 18.182 19.000 0.263 0.000 0.808 251 A HN 0.235 nan 8.150 nan 0.000 0.449 252 T N -4.693 109.919 114.554 0.098 0.000 3.105 252 T HA 0.432 4.782 4.350 -0.000 0.000 0.253 252 T C 1.126 175.864 174.700 0.063 0.000 1.047 252 T CA 0.882 63.026 62.100 0.072 0.000 0.944 252 T CB 0.075 68.978 68.868 0.058 0.000 1.016 252 T HN 1.625 nan 8.240 nan 0.000 0.544 253 G N 1.802 110.651 108.800 0.083 0.000 2.182 253 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.248 253 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.248 253 G C 0.778 175.722 174.900 0.074 0.000 1.042 253 G CA 0.318 45.472 45.100 0.091 0.000 0.775 253 G HN 0.285 nan 8.290 nan 0.000 0.501 254 M N 0.003 119.637 119.600 0.055 0.000 2.605 254 M HA -0.026 4.454 4.480 -0.000 0.000 0.269 254 M C 2.124 178.454 176.300 0.049 0.000 1.064 254 M CA 2.360 57.678 55.300 0.030 0.000 1.078 254 M CB -1.880 30.709 32.600 -0.018 0.000 1.234 254 M HN 1.839 nan 8.290 nan 0.000 0.483 255 V N -0.251 119.707 119.914 0.074 0.000 3.636 255 V HA -0.208 3.912 4.120 -0.000 0.000 0.518 255 V C -0.461 175.669 176.094 0.060 0.000 0.682 255 V CA -0.425 61.927 62.300 0.086 0.000 2.073 255 V CB -1.263 30.617 31.823 0.095 0.000 2.488 255 V HN 0.519 nan 8.190 nan 0.000 0.513 256 D N 3.241 123.680 120.400 0.066 0.000 2.411 256 D HA 0.376 5.016 4.640 -0.000 0.000 0.251 256 D C 0.514 176.845 176.300 0.051 0.000 1.201 256 D CA 0.022 54.054 54.000 0.052 0.000 0.996 256 D CB 0.655 41.489 40.800 0.057 0.000 1.101 256 D HN 0.936 nan 8.370 nan 0.000 0.504 257 E N 0.742 120.966 120.200 0.041 0.000 2.328 257 E HA 0.202 4.552 4.350 -0.000 0.000 0.265 257 E C 0.120 176.743 176.600 0.039 0.000 1.057 257 E CA 0.412 56.833 56.400 0.035 0.000 0.916 257 E CB 0.712 30.426 29.700 0.024 0.000 0.993 257 E HN 0.127 nan 8.360 nan 0.000 0.446 258 R N 2.463 122.988 120.500 0.043 0.000 2.563 258 R HA 0.279 4.619 4.340 -0.000 0.000 0.262 258 R C -1.977 174.352 176.300 0.048 0.000 1.128 258 R CA -0.495 55.634 56.100 0.049 0.000 0.969 258 R CB 1.345 31.685 30.300 0.068 0.000 1.251 258 R HN 0.306 nan 8.270 nan 0.000 0.442 259 V N 3.076 123.015 119.914 0.041 0.000 2.417 259 V HA 0.406 4.526 4.120 -0.000 0.000 0.291 259 V C -0.128 176.006 176.094 0.065 0.000 1.024 259 V CA -0.527 61.799 62.300 0.043 0.000 0.861 259 V CB 1.928 33.761 31.823 0.017 0.000 0.985 259 V HN 0.754 nan 8.190 nan 0.000 0.436 260 T N 4.866 119.471 114.554 0.084 0.000 2.744 260 T HA 0.457 4.807 4.350 -0.000 0.000 0.291 260 T C -0.195 174.592 174.700 0.145 0.000 0.957 260 T CA -0.197 61.983 62.100 0.134 0.000 1.002 260 T CB 1.120 70.062 68.868 0.123 0.000 0.919 260 T HN 0.370 nan 8.240 nan 0.000 0.468 261 V N 6.190 126.216 119.914 0.187 0.000 2.370 261 V HA 0.509 4.629 4.120 -0.000 0.000 0.279 261 V C -0.109 176.183 176.094 0.330 0.000 1.029 261 V CA -0.702 61.739 62.300 0.236 0.000 0.870 261 V CB 0.781 32.716 31.823 0.187 0.000 0.984 261 V HN 0.758 nan 8.190 nan 0.000 0.451 262 I N 6.621 127.378 120.570 0.311 0.000 2.465 262 I HA 0.687 4.856 4.170 -0.000 0.000 0.291 262 I C -0.744 175.527 176.117 0.256 0.000 1.014 262 I CA -0.676 60.770 61.300 0.244 0.000 1.093 262 I CB 1.788 39.837 38.000 0.080 0.000 1.267 262 I HN 0.765 nan 8.210 nan 0.000 0.431 263 Y N 2.910 123.256 120.300 0.078 0.000 2.656 263 Y HA 0.706 5.256 4.550 -0.000 0.000 0.334 263 Y C -1.952 173.947 175.900 -0.002 0.000 1.179 263 Y CA -1.070 57.018 58.100 -0.019 0.000 1.050 263 Y CB 1.520 40.014 38.460 0.056 0.000 1.308 263 Y HN 0.411 nan 8.280 nan 0.000 0.456 264 D N 0.110 120.481 120.400 -0.047 0.000 2.450 264 D HA 0.666 5.306 4.640 -0.000 0.000 0.238 264 D C -1.465 174.844 176.300 0.014 0.000 1.020 264 D CA -0.060 53.864 54.000 -0.126 0.000 1.010 264 D CB 2.743 43.477 40.800 -0.110 0.000 1.342 264 D HN 0.788 nan 8.370 nan 0.000 0.530 265 T N 0.304 114.753 114.554 -0.174 0.000 2.942 265 T HA 0.348 4.698 4.350 -0.000 0.000 0.327 265 T C 0.349 174.811 174.700 -0.397 0.000 1.360 265 T CA -0.307 61.692 62.100 -0.168 0.000 1.055 265 T CB 1.165 70.076 68.868 0.072 0.000 1.261 265 T HN 0.329 nan 8.240 nan 0.000 0.485 266 M N 1.336 120.693 119.600 -0.405 0.000 2.858 266 M HA 0.258 4.738 4.480 -0.000 0.000 0.255 266 M C 1.154 177.271 176.300 -0.305 0.000 1.336 266 M CA 0.391 55.403 55.300 -0.480 0.000 1.220 266 M CB 0.176 32.381 32.600 -0.659 0.000 1.252 266 M HN 0.558 nan 8.290 nan 0.000 0.538 267 H N -0.852 118.163 119.070 -0.091 0.000 2.755 267 H HA 0.428 4.984 4.556 -0.000 0.000 0.273 267 H C 1.411 176.707 175.328 -0.055 0.000 1.055 267 H CA 0.756 56.766 56.048 -0.063 0.000 1.191 267 H CB 0.906 30.638 29.762 -0.049 0.000 1.536 267 H HN 0.542 nan 8.280 nan 0.000 0.529 268 G N 0.052 108.876 108.800 0.040 0.000 2.259 268 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.217 268 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.217 268 G C 1.581 176.464 174.900 -0.027 0.000 1.001 268 G CA 0.574 45.673 45.100 -0.001 0.000 0.627 268 G HN 0.364 nan 8.290 nan 0.000 0.501 269 S N 0.431 116.137 115.700 0.010 0.000 2.370 269 S HA -0.103 4.367 4.470 -0.000 0.000 0.226 269 S C 2.314 176.917 174.600 0.005 0.000 1.033 269 S CA 2.291 60.496 58.200 0.009 0.000 1.011 269 S CB -0.489 62.739 63.200 0.047 0.000 0.852 269 S HN 0.641 nan 8.310 nan 0.000 0.457 270 T N 1.673 116.241 114.554 0.022 0.000 2.867 270 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 270 T C 1.854 176.522 174.700 -0.053 0.000 1.057 270 T CA 0.924 63.070 62.100 0.077 0.000 1.136 270 T CB -0.158 68.750 68.868 0.067 0.000 0.874 270 T HN 0.326 nan 8.240 nan 0.000 0.466 271 R N 1.317 121.690 120.500 -0.213 0.000 2.070 271 R HA -0.105 4.235 4.340 -0.000 0.000 0.233 271 R C 2.270 178.302 176.300 -0.447 0.000 1.137 271 R CA 1.473 57.248 56.100 -0.542 0.000 0.945 271 R CB -0.112 30.020 30.300 -0.281 0.000 0.845 271 R HN 0.319 nan 8.270 nan 0.000 0.430 272 K N 0.145 120.379 120.400 -0.276 0.000 2.044 272 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 272 K C 2.258 178.790 176.600 -0.114 0.000 1.049 272 K CA 2.215 58.387 56.287 -0.192 0.000 0.927 272 K CB -0.247 32.191 32.500 -0.104 0.000 0.713 272 K HN 0.263 nan 8.250 nan 0.000 0.443 273 M N 0.374 119.923 119.600 -0.086 0.000 2.082 273 M HA -0.228 4.252 4.480 -0.000 0.000 0.258 273 M C 2.431 178.552 176.300 -0.299 0.000 1.069 273 M CA 1.843 57.068 55.300 -0.126 0.000 1.102 273 M CB -0.407 32.195 32.600 0.004 0.000 1.336 273 M HN 0.270 nan 8.290 nan 0.000 0.404 274 A N -0.643 122.037 122.820 -0.234 0.000 1.902 274 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 274 A C 1.716 179.253 177.584 -0.078 0.000 1.181 274 A CA 1.945 53.847 52.037 -0.225 0.000 0.623 274 A CB -1.057 17.809 19.000 -0.223 0.000 0.818 274 A HN 0.461 nan 8.150 nan 0.000 0.443 275 H N -0.178 118.773 119.070 -0.200 0.000 2.319 275 H HA -0.012 4.544 4.556 -0.000 0.000 0.299 275 H C 2.461 177.739 175.328 -0.082 0.000 1.092 275 H CA 1.477 57.460 56.048 -0.109 0.000 1.302 275 H CB -0.526 29.188 29.762 -0.079 0.000 1.373 275 H HN 0.492 nan 8.280 nan 0.000 0.497 276 A N 0.331 123.172 122.820 0.036 0.000 1.930 276 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 276 A C 2.518 180.079 177.584 -0.039 0.000 1.175 276 A CA 1.318 53.379 52.037 0.041 0.000 0.627 276 A CB -0.692 18.332 19.000 0.040 0.000 0.815 276 A HN 0.360 nan 8.150 nan 0.000 0.443 277 I N -0.277 120.193 120.570 -0.167 0.000 2.226 277 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 277 I C 2.988 178.995 176.117 -0.184 0.000 1.100 277 I CA 1.005 62.164 61.300 -0.235 0.000 1.374 277 I CB -0.338 37.426 38.000 -0.393 0.000 1.057 277 I HN 0.358 nan 8.210 nan 0.000 0.413 278 A N 0.496 123.237 122.820 -0.132 0.000 1.883 278 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 278 A C 2.249 179.767 177.584 -0.111 0.000 1.186 278 A CA 1.637 53.610 52.037 -0.107 0.000 0.624 278 A CB -0.544 18.392 19.000 -0.107 0.000 0.822 278 A HN 0.376 nan 8.150 nan 0.000 0.444 279 E N -0.530 119.626 120.200 -0.073 0.000 2.049 279 E HA -0.198 4.152 4.350 -0.000 0.000 0.198 279 E C 2.237 178.713 176.600 -0.206 0.000 1.007 279 E CA 1.330 57.725 56.400 -0.009 0.000 0.809 279 E CB -0.881 28.931 29.700 0.186 0.000 0.749 279 E HN 0.581 nan 8.360 nan 0.000 0.450 280 G N 1.517 109.984 108.800 -0.554 0.000 2.553 280 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 280 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 280 G C 1.785 176.348 174.900 -0.562 0.000 1.195 280 G CA 1.946 46.352 45.100 -1.156 0.000 0.779 280 G HN 0.413 nan 8.290 nan 0.000 0.577 281 A N 0.031 122.660 122.820 -0.317 0.000 1.940 281 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 281 A C 2.427 179.932 177.584 -0.133 0.000 1.176 281 A CA 1.997 53.925 52.037 -0.182 0.000 0.631 281 A CB -0.358 18.573 19.000 -0.115 0.000 0.814 281 A HN 0.410 nan 8.150 nan 0.000 0.446 282 M N 0.429 119.954 119.600 -0.124 0.000 2.213 282 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 282 M C 2.320 178.592 176.300 -0.047 0.000 1.062 282 M CA 1.688 56.949 55.300 -0.065 0.000 1.105 282 M CB -0.176 32.398 32.600 -0.043 0.000 1.385 282 M HN 0.644 nan 8.290 nan 0.000 0.417 283 S N -0.603 115.052 115.700 -0.075 0.000 2.442 283 S HA -0.097 4.373 4.470 -0.000 0.000 0.236 283 S C 1.373 175.964 174.600 -0.015 0.000 1.007 283 S CA 0.902 59.097 58.200 -0.009 0.000 0.965 283 S CB -0.362 62.862 63.200 0.039 0.000 0.773 283 S HN 0.468 nan 8.310 nan 0.000 0.504 284 E N 0.942 121.113 120.200 -0.048 0.000 2.437 284 E HA 0.222 4.572 4.350 -0.000 0.000 0.189 284 E C 1.179 177.770 176.600 -0.015 0.000 1.054 284 E CA 0.408 56.790 56.400 -0.030 0.000 0.874 284 E CB -0.081 29.591 29.700 -0.047 0.000 1.011 284 E HN 0.707 nan 8.360 nan 0.000 0.474 285 G N 1.190 109.984 108.800 -0.010 0.000 2.198 285 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 285 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 285 G C 0.350 175.250 174.900 -0.000 0.000 1.025 285 G CA 0.497 45.596 45.100 -0.001 0.000 0.769 285 G HN 0.202 nan 8.290 nan 0.000 0.507 286 V N 0.018 119.927 119.914 -0.008 0.000 2.716 286 V HA 0.517 4.637 4.120 -0.000 0.000 0.304 286 V C 0.604 176.700 176.094 0.003 0.000 1.053 286 V CA -0.544 61.755 62.300 -0.002 0.000 0.984 286 V CB 1.810 33.626 31.823 -0.011 0.000 1.021 286 V HN 0.362 nan 8.190 nan 0.000 0.467 287 D N 1.869 122.279 120.400 0.017 0.000 2.341 287 D HA 0.438 5.078 4.640 -0.000 0.000 0.245 287 D C -0.867 175.444 176.300 0.019 0.000 1.106 287 D CA 0.352 54.365 54.000 0.023 0.000 0.905 287 D CB 1.221 42.047 40.800 0.043 0.000 1.202 287 D HN 0.219 nan 8.370 nan 0.000 0.426 288 V N 4.461 124.382 119.914 0.012 0.000 2.668 288 V HA 0.475 4.595 4.120 -0.000 0.000 0.304 288 V C -0.294 175.800 176.094 0.001 0.000 1.071 288 V CA -0.947 61.355 62.300 0.004 0.000 0.894 288 V CB 1.814 33.622 31.823 -0.024 0.000 1.008 288 V HN 0.463 nan 8.190 nan 0.000 0.425 289 R N 2.800 123.315 120.500 0.024 0.000 2.637 289 R HA 0.800 5.140 4.340 -0.000 0.000 0.291 289 R C -1.333 174.954 176.300 -0.022 0.000 0.963 289 R CA -0.713 55.375 56.100 -0.020 0.000 0.901 289 R CB 2.526 32.866 30.300 0.068 0.000 1.160 289 R HN 0.480 nan 8.270 nan 0.000 0.457 290 V N 3.781 123.610 119.914 -0.143 0.000 2.487 290 V HA 0.419 4.539 4.120 -0.000 0.000 0.298 290 V C -1.076 174.898 176.094 -0.201 0.000 1.028 290 V CA -0.806 61.475 62.300 -0.032 0.000 0.860 290 V CB 1.313 33.160 31.823 0.040 0.000 0.991 290 V HN 0.571 nan 8.190 nan 0.000 0.427 291 Y N 2.528 122.899 120.300 0.118 0.000 2.429 291 Y HA 0.599 5.149 4.550 -0.000 0.000 0.342 291 Y C 0.198 176.047 175.900 -0.086 0.000 1.004 291 Y CA -0.463 57.657 58.100 0.033 0.000 1.075 291 Y CB 1.916 40.380 38.460 0.007 0.000 1.214 291 Y HN 0.686 nan 8.280 nan 0.000 0.455 292 C N 5.488 124.763 119.300 -0.042 0.000 2.322 292 C HA 0.433 4.893 4.460 -0.000 0.000 0.324 292 C C 1.276 176.170 174.990 -0.160 0.000 1.284 292 C CA -0.650 58.133 59.018 -0.393 0.000 1.606 292 C CB -0.864 26.644 27.740 -0.388 0.000 2.251 292 C HN 1.064 nan 8.230 nan 0.000 0.502 293 L N 3.916 125.030 121.223 -0.183 0.000 2.275 293 L HA -0.084 4.256 4.340 -0.000 0.000 0.215 293 L C 2.538 179.421 176.870 0.021 0.000 1.119 293 L CA 1.131 55.939 54.840 -0.054 0.000 0.790 293 L CB -0.710 41.329 42.059 -0.033 0.000 0.919 293 L HN 0.855 nan 8.230 nan 0.000 0.443 294 H N 0.135 119.145 119.070 -0.101 0.000 2.421 294 H HA -0.135 4.421 4.556 -0.000 0.000 0.298 294 H C 1.680 176.992 175.328 -0.026 0.000 1.087 294 H CA 1.270 57.292 56.048 -0.043 0.000 1.330 294 H CB 0.655 30.381 29.762 -0.059 0.000 1.388 294 H HN 0.361 nan 8.280 nan 0.000 0.526 295 E N 0.219 120.370 120.200 -0.082 0.000 2.175 295 E HA 0.033 4.383 4.350 -0.000 0.000 0.195 295 E C 0.024 176.597 176.600 -0.045 0.000 0.934 295 E CA 0.177 56.513 56.400 -0.106 0.000 0.870 295 E CB 0.297 29.969 29.700 -0.047 0.000 0.838 295 E HN 0.428 nan 8.360 nan 0.000 0.474 296 D N 1.834 122.237 120.400 0.005 0.000 2.177 296 D HA 0.154 4.794 4.640 -0.000 0.000 0.247 296 D C -0.349 175.948 176.300 -0.005 0.000 1.063 296 D CA -0.319 53.715 54.000 0.058 0.000 0.867 296 D CB 1.526 42.465 40.800 0.232 0.000 1.168 296 D HN -0.114 nan 8.370 nan 0.000 0.445 297 D N 0.047 120.432 120.400 -0.025 0.000 2.362 297 D HA 0.009 4.649 4.640 -0.000 0.000 0.242 297 D C 1.516 177.742 176.300 -0.124 0.000 1.132 297 D CA -0.324 53.629 54.000 -0.078 0.000 0.907 297 D CB 0.943 41.692 40.800 -0.085 0.000 1.195 297 D HN 0.323 nan 8.370 nan 0.000 0.429 298 R N 1.194 121.606 120.500 -0.147 0.000 2.148 298 R HA -0.099 4.241 4.340 -0.000 0.000 0.223 298 R C 1.692 177.937 176.300 -0.092 0.000 1.088 298 R CA 1.355 57.374 56.100 -0.136 0.000 0.985 298 R CB -0.653 29.541 30.300 -0.176 0.000 0.880 298 R HN 0.410 nan 8.270 nan 0.000 0.451 299 S N 0.397 116.001 115.700 -0.159 0.000 2.402 299 S HA -0.121 4.348 4.470 -0.000 0.000 0.229 299 S C 1.738 176.225 174.600 -0.188 0.000 1.021 299 S CA 1.072 59.163 58.200 -0.182 0.000 0.974 299 S CB 0.082 63.025 63.200 -0.427 0.000 0.800 299 S HN 0.304 nan 8.310 nan 0.000 0.484 300 E N 1.435 121.532 120.200 -0.172 0.000 2.076 300 E HA 0.212 4.562 4.350 -0.000 0.000 0.190 300 E C 1.830 178.277 176.600 -0.255 0.000 0.979 300 E CA 0.801 57.129 56.400 -0.120 0.000 0.807 300 E CB -0.520 29.173 29.700 -0.012 0.000 0.761 300 E HN 0.650 nan 8.360 nan 0.000 0.454 301 I N -0.414 119.881 120.570 -0.458 0.000 2.163 301 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 301 I C 2.193 178.122 176.117 -0.313 0.000 1.085 301 I CA 0.773 61.639 61.300 -0.722 0.000 1.347 301 I CB -0.177 37.494 38.000 -0.549 0.000 1.044 301 I HN -0.014 nan 8.210 nan 0.000 0.408 302 V N 0.828 120.684 119.914 -0.097 0.000 2.515 302 V HA -0.294 3.826 4.120 -0.000 0.000 0.250 302 V C 2.515 178.661 176.094 0.086 0.000 1.058 302 V CA 1.722 64.069 62.300 0.078 0.000 1.064 302 V CB -0.602 31.374 31.823 0.255 0.000 0.675 302 V HN 0.405 nan 8.190 nan 0.000 0.461 303 K N -0.118 120.287 120.400 0.010 0.000 2.103 303 K HA -0.252 4.068 4.320 -0.000 0.000 0.207 303 K C 1.645 178.264 176.600 0.031 0.000 1.048 303 K CA 2.113 58.406 56.287 0.010 0.000 0.930 303 K CB -0.131 32.364 32.500 -0.008 0.000 0.716 303 K HN 0.470 nan 8.250 nan 0.000 0.444 304 D N 0.408 120.822 120.400 0.023 0.000 2.194 304 D HA -0.037 4.603 4.640 -0.000 0.000 0.204 304 D C 1.790 178.105 176.300 0.026 0.000 0.964 304 D CA 0.689 54.734 54.000 0.074 0.000 0.846 304 D CB -0.004 40.910 40.800 0.189 0.000 0.962 304 D HN 0.234 nan 8.370 nan 0.000 0.490 305 I N 0.469 120.997 120.570 -0.071 0.000 2.335 305 I HA -0.235 3.934 4.170 -0.000 0.000 0.251 305 I C 2.166 178.186 176.117 -0.161 0.000 1.129 305 I CA 0.493 61.661 61.300 -0.220 0.000 1.402 305 I CB -0.083 37.597 38.000 -0.532 0.000 1.069 305 I HN 0.047 nan 8.210 nan 0.000 0.424 306 L N 0.673 121.938 121.223 0.071 0.000 2.083 306 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 306 L C 2.022 178.995 176.870 0.171 0.000 1.083 306 L CA 1.943 56.937 54.840 0.256 0.000 0.752 306 L CB -0.446 41.716 42.059 0.171 0.000 0.899 306 L HN 0.153 nan 8.230 nan 0.000 0.433 307 E N -0.526 119.752 120.200 0.131 0.000 2.444 307 E HA 0.202 4.552 4.350 -0.000 0.000 0.191 307 E C 0.009 176.677 176.600 0.113 0.000 1.041 307 E CA 0.026 56.519 56.400 0.155 0.000 0.883 307 E CB 0.239 30.038 29.700 0.166 0.000 1.024 307 E HN 0.335 nan 8.360 nan 0.000 0.470 308 S N -0.604 115.146 115.700 0.083 0.000 2.472 308 S HA 0.435 4.905 4.470 -0.000 0.000 0.303 308 S C 1.009 175.648 174.600 0.064 0.000 1.099 308 S CA -0.525 57.715 58.200 0.067 0.000 1.077 308 S CB 1.886 65.116 63.200 0.050 0.000 1.031 308 S HN 0.275 nan 8.310 nan 0.000 0.487 309 G N 1.219 110.057 108.800 0.063 0.000 2.551 309 G HA2 0.465 4.425 3.960 -0.000 0.000 0.216 309 G HA3 0.465 4.425 3.960 -0.000 0.000 0.216 309 G C 0.237 175.180 174.900 0.071 0.000 1.137 309 G CA 0.479 45.615 45.100 0.059 0.000 0.798 309 G HN 0.908 nan 8.290 nan 0.000 0.536 310 A N -0.449 122.416 122.820 0.076 0.000 2.587 310 A HA 0.757 5.077 4.320 -0.000 0.000 0.293 310 A C -1.037 176.596 177.584 0.082 0.000 1.087 310 A CA -0.758 51.333 52.037 0.091 0.000 0.692 310 A CB 1.303 20.341 19.000 0.064 0.000 1.291 310 A HN 0.671 nan 8.150 nan 0.000 0.407 311 I N -2.319 118.298 120.570 0.078 0.000 3.042 311 I HA 0.947 5.117 4.170 -0.000 0.000 0.310 311 I C -0.292 175.859 176.117 0.057 0.000 1.117 311 I CA -1.212 60.109 61.300 0.035 0.000 1.003 311 I CB 2.465 40.421 38.000 -0.073 0.000 1.228 311 I HN 0.913 nan 8.210 nan 0.000 0.443 312 A N 4.245 127.130 122.820 0.109 0.000 2.357 312 A HA 0.740 5.060 4.320 -0.000 0.000 0.295 312 A C -1.406 176.345 177.584 0.279 0.000 1.121 312 A CA -0.417 51.759 52.037 0.232 0.000 0.742 312 A CB 1.231 20.393 19.000 0.270 0.000 1.181 312 A HN 0.720 nan 8.150 nan 0.000 0.454 313 L N 2.980 124.268 121.223 0.108 0.000 2.305 313 L HA 0.828 5.168 4.340 -0.000 0.000 0.284 313 L C 0.219 176.824 176.870 -0.443 0.000 1.013 313 L CA 0.167 54.951 54.840 -0.093 0.000 0.819 313 L CB 1.492 43.472 42.059 -0.132 0.000 1.227 313 L HN 0.734 nan 8.230 nan 0.000 0.417 314 G N 3.530 111.838 108.800 -0.820 0.000 2.524 314 G HA2 0.881 4.841 3.960 -0.000 0.000 0.310 314 G HA3 0.881 4.841 3.960 -0.000 0.000 0.310 314 G C -1.771 172.817 174.900 -0.519 0.000 1.279 314 G CA -0.178 44.087 45.100 -1.392 0.000 0.974 314 G HN 1.024 nan 8.290 nan 0.000 0.484 315 A N 2.334 124.950 122.820 -0.341 0.000 2.594 315 A HA 0.890 5.210 4.320 -0.000 0.000 0.296 315 A C -3.064 174.473 177.584 -0.078 0.000 1.056 315 A CA -1.092 50.871 52.037 -0.123 0.000 0.693 315 A CB 1.880 20.854 19.000 -0.043 0.000 1.278 315 A HN 0.575 nan 8.150 nan 0.000 0.408 316 P HA 0.359 nan 4.420 nan 0.000 0.274 316 P C -0.016 177.282 177.300 -0.004 0.000 1.256 316 P CA 0.159 63.240 63.100 -0.033 0.000 0.795 316 P CB 0.771 32.429 31.700 -0.069 0.000 1.038 317 T N -0.880 113.665 114.554 -0.016 0.000 2.794 317 T HA 0.636 4.986 4.350 -0.000 0.000 0.280 317 T C -0.471 174.207 174.700 -0.037 0.000 0.987 317 T CA -0.641 61.453 62.100 -0.010 0.000 0.993 317 T CB -0.305 68.557 68.868 -0.009 0.000 0.939 317 T HN 0.161 nan 8.240 nan 0.000 0.449 318 I N 4.650 125.200 120.570 -0.033 0.000 2.418 318 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 318 I C -0.791 175.293 176.117 -0.055 0.000 1.008 318 I CA -0.903 60.317 61.300 -0.134 0.000 1.104 318 I CB 1.317 39.263 38.000 -0.089 0.000 1.264 318 I HN 0.749 nan 8.210 nan 0.000 0.438 319 Y N 5.570 125.883 120.300 0.021 0.000 3.108 319 Y HA -0.333 4.217 4.550 -0.000 0.000 0.208 319 Y C 0.883 176.787 175.900 0.007 0.000 1.245 319 Y CA 1.001 59.108 58.100 0.013 0.000 1.171 319 Y CB -1.940 36.523 38.460 0.006 0.000 1.331 319 Y HN 0.826 nan 8.280 nan 0.000 0.534 320 D N -2.973 117.490 120.400 0.106 0.000 2.553 320 D HA -0.166 4.474 4.640 -0.000 0.000 0.178 320 D C 0.308 176.634 176.300 0.043 0.000 0.951 320 D CA 1.539 55.578 54.000 0.066 0.000 1.015 320 D CB -0.446 40.396 40.800 0.069 0.000 1.069 320 D HN 0.632 nan 8.370 nan 0.000 0.463 321 E N 0.173 120.400 120.200 0.044 0.000 2.299 321 E HA 0.548 4.898 4.350 -0.000 0.000 0.260 321 E C -2.545 174.066 176.600 0.017 0.000 0.944 321 E CA -1.663 54.753 56.400 0.026 0.000 0.815 321 E CB 1.725 31.441 29.700 0.027 0.000 1.252 321 E HN -0.035 nan 8.360 nan 0.000 0.418 322 P HA 0.027 nan 4.420 nan 0.000 0.274 322 P C -0.481 176.840 177.300 0.036 0.000 1.237 322 P CA -0.258 62.854 63.100 0.019 0.000 0.793 322 P CB 0.138 31.840 31.700 0.002 0.000 0.977 323 Y N 4.074 124.341 120.300 -0.055 0.000 2.881 323 Y HA -0.074 4.476 4.550 -0.000 0.000 0.335 323 Y C -0.924 174.953 175.900 -0.039 0.000 1.263 323 Y CA -0.776 57.291 58.100 -0.055 0.000 1.572 323 Y CB -0.291 38.126 38.460 -0.071 0.000 1.237 323 Y HN 0.416 nan 8.280 nan 0.000 0.568 324 P HA -0.247 nan 4.420 nan 0.000 0.218 324 P C 1.493 178.701 177.300 -0.154 0.000 1.146 324 P CA 2.129 65.067 63.100 -0.270 0.000 0.813 324 P CB -0.096 31.421 31.700 -0.306 0.000 0.778 325 S N -0.628 114.999 115.700 -0.122 0.000 2.400 325 S HA -0.124 4.346 4.470 -0.000 0.000 0.232 325 S C 2.066 176.675 174.600 0.014 0.000 1.025 325 S CA 1.207 59.412 58.200 0.008 0.000 0.993 325 S CB -1.758 61.527 63.200 0.143 0.000 0.808 325 S HN -0.007 nan 8.310 nan 0.000 0.478 326 V N 2.120 122.048 119.914 0.024 0.000 2.594 326 V HA -0.044 4.076 4.120 -0.000 0.000 0.253 326 V C 2.693 178.782 176.094 -0.009 0.000 1.069 326 V CA 1.697 63.998 62.300 0.002 0.000 1.082 326 V CB -1.330 30.493 31.823 0.000 0.000 0.680 326 V HN 0.704 nan 8.190 nan 0.000 0.469 327 G N -0.992 107.798 108.800 -0.016 0.000 2.448 327 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 327 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 327 G C 1.434 176.335 174.900 0.002 0.000 1.135 327 G CA 0.799 45.892 45.100 -0.011 0.000 0.784 327 G HN 0.546 nan 8.290 nan 0.000 0.543 328 D N 0.493 120.890 120.400 -0.004 0.000 2.097 328 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 328 D C 2.445 178.766 176.300 0.034 0.000 0.984 328 D CA 0.789 54.789 54.000 0.000 0.000 0.826 328 D CB -0.090 40.694 40.800 -0.026 0.000 0.973 328 D HN 0.204 nan 8.370 nan 0.000 0.460 329 L N 0.929 122.169 121.223 0.029 0.000 1.994 329 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 329 L C 2.519 179.450 176.870 0.102 0.000 1.071 329 L CA 1.409 56.290 54.840 0.069 0.000 0.745 329 L CB -0.751 41.315 42.059 0.011 0.000 0.892 329 L HN 0.064 nan 8.230 nan 0.000 0.431 330 L N -1.191 120.061 121.223 0.048 0.000 2.131 330 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 330 L C 2.613 179.533 176.870 0.084 0.000 1.092 330 L CA 1.791 56.659 54.840 0.047 0.000 0.759 330 L CB -0.452 41.614 42.059 0.013 0.000 0.903 330 L HN 0.449 nan 8.230 nan 0.000 0.435 331 M N -1.684 117.969 119.600 0.087 0.000 2.132 331 M HA -0.262 4.218 4.480 -0.000 0.000 0.263 331 M C 2.357 178.752 176.300 0.158 0.000 1.065 331 M CA 1.695 57.053 55.300 0.097 0.000 1.122 331 M CB -0.221 32.423 32.600 0.072 0.000 1.365 331 M HN 0.156 nan 8.290 nan 0.000 0.411 332 Y N 1.201 121.520 120.300 0.032 0.000 2.097 332 Y HA -0.226 4.324 4.550 -0.000 0.000 0.282 332 Y C 1.832 177.784 175.900 0.086 0.000 1.152 332 Y CA 1.949 60.077 58.100 0.046 0.000 1.136 332 Y CB -0.729 37.754 38.460 0.037 0.000 0.975 332 Y HN 0.220 nan 8.280 nan 0.000 0.498 333 L N -0.256 121.047 121.223 0.134 0.000 2.187 333 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 333 L C 2.666 179.618 176.870 0.138 0.000 1.100 333 L CA 1.574 56.510 54.840 0.161 0.000 0.765 333 L CB -0.545 41.661 42.059 0.245 0.000 0.904 333 L HN 0.148 nan 8.230 nan 0.000 0.437 334 R N 0.211 120.772 120.500 0.102 0.000 2.148 334 R HA -0.101 4.239 4.340 -0.000 0.000 0.227 334 R C 2.193 178.506 176.300 0.022 0.000 1.103 334 R CA 1.112 57.256 56.100 0.074 0.000 0.983 334 R CB -0.186 30.153 30.300 0.065 0.000 0.874 334 R HN 0.393 nan 8.270 nan 0.000 0.451 335 G N 0.320 109.115 108.800 -0.008 0.000 2.408 335 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.215 335 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.215 335 G C 1.128 175.952 174.900 -0.128 0.000 1.156 335 G CA 0.007 45.075 45.100 -0.052 0.000 0.793 335 G HN 0.120 nan 8.290 nan 0.000 0.535 336 L N -0.248 120.851 121.223 -0.207 0.000 2.131 336 L HA 0.268 4.608 4.340 -0.000 0.000 0.206 336 L C 1.087 177.763 176.870 -0.323 0.000 1.087 336 L CA 0.673 55.308 54.840 -0.342 0.000 0.767 336 L CB -0.627 41.139 42.059 -0.489 0.000 0.917 336 L HN 0.275 nan 8.230 nan 0.000 0.441 337 K N -1.196 119.118 120.400 -0.143 0.000 3.898 337 K HA -0.244 4.076 4.320 -0.000 0.000 0.282 337 K C 0.687 177.199 176.600 -0.147 0.000 1.014 337 K CA 0.089 56.324 56.287 -0.087 0.000 0.848 337 K CB -1.879 30.569 32.500 -0.088 0.000 1.469 337 K HN 0.017 nan 8.250 nan 0.000 0.446 338 F N 1.148 121.021 119.950 -0.128 0.000 2.333 338 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 338 F C 2.325 178.003 175.800 -0.204 0.000 1.083 338 F CA 1.624 59.523 58.000 -0.169 0.000 1.395 338 F CB -0.178 38.681 39.000 -0.236 0.000 1.056 338 F HN 0.505 nan 8.300 nan 0.000 0.529 339 N N 1.126 119.773 118.700 -0.089 0.000 2.348 339 N HA -0.225 4.515 4.740 -0.000 0.000 0.185 339 N C 1.568 177.053 175.510 -0.042 0.000 1.019 339 N CA 1.111 54.104 53.050 -0.094 0.000 0.880 339 N CB -0.699 37.734 38.487 -0.090 0.000 0.965 339 N HN 0.355 nan 8.380 nan 0.000 0.437 340 R N 0.162 120.637 120.500 -0.042 0.000 2.237 340 R HA -0.038 4.302 4.340 -0.000 0.000 0.219 340 R C 1.976 178.279 176.300 0.005 0.000 1.080 340 R CA 1.680 57.764 56.100 -0.027 0.000 0.995 340 R CB -0.130 30.139 30.300 -0.052 0.000 0.875 340 R HN 0.614 nan 8.270 nan 0.000 0.462 341 T N -3.067 111.502 114.554 0.024 0.000 3.056 341 T HA 0.235 4.585 4.350 -0.000 0.000 0.241 341 T C 0.702 175.435 174.700 0.054 0.000 1.006 341 T CA -0.028 62.111 62.100 0.066 0.000 1.115 341 T CB 0.587 69.528 68.868 0.121 0.000 0.939 341 T HN 0.017 nan 8.240 nan 0.000 0.462 342 L N 1.216 122.461 121.223 0.036 0.000 2.735 342 L HA 0.341 4.681 4.340 -0.000 0.000 0.258 342 L C -1.642 175.198 176.870 -0.051 0.000 0.920 342 L CA -0.474 54.373 54.840 0.012 0.000 0.958 342 L CB 2.263 44.345 42.059 0.039 0.000 1.499 342 L HN 0.099 nan 8.230 nan 0.000 0.441 343 T N 4.622 119.139 114.554 -0.062 0.000 2.775 343 T HA 0.329 4.679 4.350 -0.000 0.000 0.287 343 T C 0.272 174.918 174.700 -0.091 0.000 0.909 343 T CA -0.158 61.874 62.100 -0.113 0.000 1.081 343 T CB -0.069 68.766 68.868 -0.055 0.000 0.891 343 T HN 0.402 nan 8.240 nan 0.000 0.544 344 R N 2.595 122.989 120.500 -0.177 0.000 2.500 344 R HA 0.369 4.709 4.340 -0.000 0.000 0.275 344 R C 0.446 176.826 176.300 0.134 0.000 1.051 344 R CA -0.934 55.161 56.100 -0.008 0.000 1.088 344 R CB 0.725 31.044 30.300 0.033 0.000 1.063 344 R HN 0.335 nan 8.270 nan 0.000 0.511 345 K N 0.932 121.416 120.400 0.140 0.000 2.126 345 K HA 0.500 4.820 4.320 -0.000 0.000 0.257 345 K C -0.476 176.237 176.600 0.188 0.000 1.007 345 K CA -0.397 55.974 56.287 0.141 0.000 0.928 345 K CB 1.540 34.090 32.500 0.085 0.000 1.013 345 K HN 0.692 nan 8.250 nan 0.000 0.473 346 A N 1.706 124.614 122.820 0.146 0.000 2.459 346 A HA 0.471 4.791 4.320 -0.000 0.000 0.296 346 A C -1.565 176.068 177.584 0.081 0.000 1.039 346 A CA -0.761 51.336 52.037 0.101 0.000 0.698 346 A CB 1.131 20.176 19.000 0.076 0.000 1.261 346 A HN 0.503 nan 8.150 nan 0.000 0.405 347 L N 2.888 124.162 121.223 0.086 0.000 2.309 347 L HA 0.801 5.141 4.340 -0.000 0.000 0.282 347 L C -0.963 176.005 176.870 0.163 0.000 1.036 347 L CA -0.313 54.596 54.840 0.115 0.000 0.806 347 L CB 1.699 43.823 42.059 0.108 0.000 1.220 347 L HN 0.454 nan 8.230 nan 0.000 0.429 348 V N 6.156 126.160 119.914 0.150 0.000 2.513 348 V HA 0.629 4.749 4.120 -0.000 0.000 0.299 348 V C -0.519 175.709 176.094 0.224 0.000 1.035 348 V CA -0.305 62.068 62.300 0.122 0.000 0.889 348 V CB 1.312 33.160 31.823 0.042 0.000 0.988 348 V HN 0.748 nan 8.190 nan 0.000 0.440 349 F N 2.159 122.119 119.950 0.016 0.000 2.645 349 F HA 1.021 5.548 4.527 -0.000 0.000 0.310 349 F C -0.162 175.650 175.800 0.020 0.000 1.102 349 F CA -0.607 57.403 58.000 0.016 0.000 0.952 349 F CB 1.942 40.949 39.000 0.012 0.000 1.326 349 F HN 0.799 nan 8.300 nan 0.000 0.456 350 G N 0.419 109.324 108.800 0.174 0.000 2.387 350 G HA2 0.453 4.413 3.960 -0.000 0.000 0.294 350 G HA3 0.453 4.413 3.960 -0.000 0.000 0.294 350 G C -2.135 172.817 174.900 0.087 0.000 1.509 350 G CA -0.581 44.558 45.100 0.064 0.000 0.806 350 G HN 0.871 nan 8.290 nan 0.000 0.546 351 S N -0.968 114.765 115.700 0.055 0.000 2.646 351 S HA 0.851 5.321 4.470 -0.000 0.000 0.276 351 S C 0.073 174.665 174.600 -0.015 0.000 1.222 351 S CA 0.093 58.311 58.200 0.030 0.000 1.014 351 S CB 0.744 63.967 63.200 0.039 0.000 0.991 351 S HN 1.375 nan 8.310 nan 0.000 0.533 352 M N 1.594 121.153 119.600 -0.069 0.000 2.682 352 M HA 0.652 5.132 4.480 -0.000 0.000 0.272 352 M C 0.022 176.114 176.300 -0.347 0.000 1.232 352 M CA -0.490 54.740 55.300 -0.118 0.000 0.849 352 M CB 0.880 33.455 32.600 -0.042 0.000 1.695 352 M HN 0.431 nan 8.290 nan 0.000 0.481 353 G N -1.253 107.347 108.800 -0.333 0.000 3.228 353 G HA2 0.610 4.570 3.960 -0.000 0.000 0.245 353 G HA3 0.610 4.570 3.960 -0.000 0.000 0.245 353 G C 0.188 175.039 174.900 -0.081 0.000 1.051 353 G CA 0.296 45.015 45.100 -0.635 0.000 0.809 353 G HN 1.201 nan 8.290 nan 0.000 0.531 354 G N 0.298 109.105 108.800 0.012 0.000 3.535 354 G HA2 0.056 4.016 3.960 -0.000 0.000 0.169 354 G HA3 0.056 4.016 3.960 -0.000 0.000 0.169 354 G C 0.473 175.378 174.900 0.007 0.000 1.241 354 G CA -0.003 45.125 45.100 0.046 0.000 1.334 354 G HN 0.091 nan 8.290 nan 0.000 0.717 355 N N 0.971 119.676 118.700 0.009 0.000 2.459 355 N HA 0.188 4.928 4.740 -0.000 0.000 0.181 355 N C 1.448 176.960 175.510 0.003 0.000 1.046 355 N CA 0.610 53.661 53.050 0.003 0.000 0.904 355 N CB 0.373 38.868 38.487 0.014 0.000 0.964 355 N HN 0.870 nan 8.380 nan 0.000 0.444 356 G N 0.230 109.032 108.800 0.003 0.000 2.564 356 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.273 356 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.273 356 G C 0.576 175.481 174.900 0.008 0.000 1.242 356 G CA 0.082 45.183 45.100 0.002 0.000 0.951 356 G HN 0.603 nan 8.290 nan 0.000 0.564 357 G N -3.096 105.709 108.800 0.008 0.000 2.260 357 G HA2 0.279 4.239 3.960 -0.000 0.000 0.179 357 G HA3 0.279 4.239 3.960 -0.000 0.000 0.179 357 G C 1.540 176.445 174.900 0.008 0.000 1.002 357 G CA 1.294 46.401 45.100 0.011 0.000 0.677 357 G HN 2.286 nan 8.290 nan 0.000 0.486 358 A N 0.799 123.621 122.820 0.003 0.000 1.902 358 A HA 0.141 4.461 4.320 -0.000 0.000 0.217 358 A C 2.683 180.260 177.584 -0.011 0.000 1.181 358 A CA 3.195 55.229 52.037 -0.005 0.000 0.623 358 A CB -1.110 17.882 19.000 -0.013 0.000 0.818 358 A HN 1.441 nan 8.150 nan 0.000 0.443 359 T N -2.536 112.015 114.554 -0.004 0.000 2.821 359 T HA 0.024 4.374 4.350 -0.000 0.000 0.267 359 T C 1.924 176.628 174.700 0.008 0.000 1.046 359 T CA 1.592 63.692 62.100 0.001 0.000 1.139 359 T CB -0.987 67.894 68.868 0.022 0.000 0.871 359 T HN 0.414 nan 8.240 nan 0.000 0.454 360 G N 1.538 110.344 108.800 0.011 0.000 2.459 360 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 360 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 360 G C 1.747 176.654 174.900 0.011 0.000 1.183 360 G CA 1.501 46.609 45.100 0.013 0.000 0.776 360 G HN 0.523 nan 8.290 nan 0.000 0.552 361 T N 1.479 116.037 114.554 0.007 0.000 2.684 361 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 361 T C 2.544 177.246 174.700 0.002 0.000 1.036 361 T CA 1.546 63.650 62.100 0.006 0.000 1.148 361 T CB -0.252 68.619 68.868 0.005 0.000 0.863 361 T HN 0.188 nan 8.240 nan 0.000 0.436 362 M N 0.683 120.278 119.600 -0.008 0.000 2.149 362 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 362 M C 2.341 178.637 176.300 -0.006 0.000 1.064 362 M CA 1.625 56.913 55.300 -0.019 0.000 1.102 362 M CB -0.464 32.110 32.600 -0.044 0.000 1.369 362 M HN 0.185 nan 8.290 nan 0.000 0.408 363 K N 0.239 120.643 120.400 0.008 0.000 1.991 363 K HA -0.231 4.089 4.320 -0.000 0.000 0.212 363 K C 1.964 178.585 176.600 0.034 0.000 1.049 363 K CA 1.787 58.088 56.287 0.025 0.000 0.932 363 K CB -0.336 32.181 32.500 0.028 0.000 0.717 363 K HN 0.392 nan 8.250 nan 0.000 0.441 364 E N 0.970 121.187 120.200 0.028 0.000 2.058 364 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 364 E C 2.046 178.670 176.600 0.040 0.000 0.997 364 E CA 1.204 57.624 56.400 0.032 0.000 0.801 364 E CB -0.012 29.703 29.700 0.024 0.000 0.746 364 E HN 0.217 nan 8.360 nan 0.000 0.450 365 L N 0.464 121.706 121.223 0.032 0.000 2.156 365 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 365 L C 2.553 179.460 176.870 0.061 0.000 1.095 365 L CA 0.425 55.288 54.840 0.038 0.000 0.770 365 L CB -0.233 41.840 42.059 0.022 0.000 0.914 365 L HN 0.220 nan 8.230 nan 0.000 0.439 366 L N -0.344 120.909 121.223 0.049 0.000 2.046 366 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 366 L C 2.897 179.889 176.870 0.204 0.000 1.077 366 L CA 1.151 56.043 54.840 0.087 0.000 0.747 366 L CB -0.596 41.469 42.059 0.010 0.000 0.896 366 L HN 0.257 nan 8.230 nan 0.000 0.432 367 A N 0.218 123.119 122.820 0.135 0.000 1.865 367 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 367 A C 2.065 179.714 177.584 0.109 0.000 1.191 367 A CA 1.918 54.027 52.037 0.120 0.000 0.623 367 A CB -0.590 18.457 19.000 0.077 0.000 0.826 367 A HN 0.496 nan 8.150 nan 0.000 0.444 368 E N -0.298 119.956 120.200 0.090 0.000 2.333 368 E HA -0.026 4.324 4.350 -0.000 0.000 0.198 368 E C 1.793 178.450 176.600 0.095 0.000 1.007 368 E CA 0.695 57.139 56.400 0.073 0.000 0.845 368 E CB -0.228 29.506 29.700 0.056 0.000 0.766 368 E HN 0.628 nan 8.360 nan 0.000 0.507 369 A N 0.375 123.290 122.820 0.159 0.000 2.238 369 A HA 0.332 4.652 4.320 -0.000 0.000 0.210 369 A C 1.602 179.318 177.584 0.220 0.000 1.179 369 A CA 0.600 52.774 52.037 0.228 0.000 0.827 369 A CB 0.046 19.245 19.000 0.331 0.000 0.856 369 A HN 0.283 nan 8.150 nan 0.000 0.488 370 G N -1.639 107.248 108.800 0.146 0.000 2.164 370 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.212 370 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.212 370 G C -0.252 174.545 174.900 -0.172 0.000 1.031 370 G CA -0.093 44.998 45.100 -0.015 0.000 0.730 370 G HN 0.261 nan 8.290 nan 0.000 0.501 371 F N 0.304 120.283 119.950 0.047 0.000 2.458 371 F HA 0.573 5.100 4.527 -0.000 0.000 0.330 371 F C 0.402 176.221 175.800 0.031 0.000 1.082 371 F CA -1.096 56.926 58.000 0.035 0.000 0.995 371 F CB 1.700 40.713 39.000 0.022 0.000 1.170 371 F HN 0.036 nan 8.300 nan 0.000 0.478 372 D N 2.249 122.760 120.400 0.185 0.000 2.428 372 D HA 0.245 4.885 4.640 -0.000 0.000 0.221 372 D C -1.076 175.301 176.300 0.128 0.000 1.123 372 D CA -0.220 53.852 54.000 0.119 0.000 0.869 372 D CB 0.959 41.803 40.800 0.073 0.000 1.032 372 D HN 0.332 nan 8.370 nan 0.000 0.506 373 V N 3.026 123.006 119.914 0.111 0.000 2.348 373 V HA 0.786 4.906 4.120 -0.000 0.000 0.270 373 V C -0.453 175.681 176.094 0.067 0.000 1.037 373 V CA -0.445 61.909 62.300 0.090 0.000 0.872 373 V CB 0.399 32.269 31.823 0.079 0.000 1.002 373 V HN 0.622 nan 8.190 nan 0.000 0.464 374 A N 5.204 128.061 122.820 0.062 0.000 2.330 374 A HA 0.748 5.068 4.320 -0.000 0.000 0.327 374 A C 0.320 177.934 177.584 0.049 0.000 1.155 374 A CA -0.119 51.948 52.037 0.049 0.000 0.803 374 A CB 0.696 19.721 19.000 0.043 0.000 1.208 374 A HN 1.828 nan 8.150 nan 0.000 0.477 375 C N 0.696 120.023 119.300 0.044 0.000 0.168 375 C HA -0.105 4.355 4.460 -0.000 0.000 0.017 375 C C 0.414 175.440 174.990 0.061 0.000 0.171 375 C CA 1.394 60.439 59.018 0.046 0.000 0.499 375 C CB -1.113 26.650 27.740 0.038 0.000 3.212 375 C HN 1.156 nan 8.230 nan 0.000 1.118 376 E N 1.782 122.020 120.200 0.063 0.000 2.416 376 E HA 0.816 5.166 4.350 -0.000 0.000 0.273 376 E C -1.509 175.143 176.600 0.087 0.000 0.935 376 E CA -0.840 55.612 56.400 0.085 0.000 0.784 376 E CB 1.748 31.489 29.700 0.069 0.000 1.301 376 E HN 0.533 nan 8.360 nan 0.000 0.454 377 E N 1.059 121.335 120.200 0.126 0.000 2.283 377 E HA 0.257 4.607 4.350 -0.000 0.000 0.258 377 E C -1.464 175.214 176.600 0.130 0.000 0.893 377 E CA -0.396 56.069 56.400 0.108 0.000 0.798 377 E CB 2.018 31.769 29.700 0.085 0.000 1.242 377 E HN 0.520 nan 8.360 nan 0.000 0.414 378 E N 2.258 122.512 120.200 0.090 0.000 2.199 378 E HA 0.462 4.812 4.350 -0.000 0.000 0.265 378 E C -1.220 175.426 176.600 0.077 0.000 0.882 378 E CA -0.702 55.746 56.400 0.081 0.000 0.759 378 E CB 1.988 31.722 29.700 0.057 0.000 1.148 378 E HN 0.107 nan 8.360 nan 0.000 0.412 379 V N 4.744 124.708 119.914 0.084 0.000 2.540 379 V HA 0.180 4.300 4.120 -0.000 0.000 0.302 379 V C -0.823 175.331 176.094 0.100 0.000 1.035 379 V CA -0.778 61.577 62.300 0.093 0.000 0.873 379 V CB 1.572 33.446 31.823 0.084 0.000 0.992 379 V HN 0.656 nan 8.190 nan 0.000 0.428 380 Y N 6.518 126.799 120.300 -0.031 0.000 2.539 380 Y HA 0.409 4.958 4.550 -0.000 0.000 0.352 380 Y C 0.399 176.301 175.900 0.003 0.000 1.004 380 Y CA 0.337 58.374 58.100 -0.105 0.000 1.278 380 Y CB -0.377 38.037 38.460 -0.077 0.000 1.136 380 Y HN 0.744 nan 8.280 nan 0.000 0.528 381 Y N 0.710 120.852 120.300 -0.263 0.000 2.896 381 Y HA -0.373 4.177 4.550 -0.000 0.000 0.466 381 Y C 0.136 175.968 175.900 -0.114 0.000 1.197 381 Y CA 0.125 58.064 58.100 -0.269 0.000 2.513 381 Y CB -1.761 36.414 38.460 -0.476 0.000 1.232 381 Y HN 0.247 nan 8.280 nan 0.000 0.632 382 V N 4.394 124.369 119.914 0.102 0.000 2.508 382 V HA 0.260 4.380 4.120 -0.000 0.000 0.281 382 V C -2.039 174.083 176.094 0.046 0.000 1.041 382 V CA -1.110 61.214 62.300 0.041 0.000 1.016 382 V CB 0.706 32.526 31.823 -0.005 0.000 0.984 382 V HN 0.294 nan 8.190 nan 0.000 0.478 383 P HA 0.231 nan 4.420 nan 0.000 0.276 383 P C 0.240 177.557 177.300 0.027 0.000 1.235 383 P CA -0.186 62.938 63.100 0.039 0.000 0.772 383 P CB 0.398 32.115 31.700 0.028 0.000 0.871 384 T N -0.482 114.093 114.554 0.034 0.000 2.701 384 T HA 0.183 4.533 4.350 -0.000 0.000 0.303 384 T C 1.780 176.487 174.700 0.012 0.000 1.030 384 T CA 0.118 62.231 62.100 0.022 0.000 1.010 384 T CB 0.026 68.911 68.868 0.028 0.000 1.007 384 T HN 0.412 nan 8.240 nan 0.000 0.532 385 G N 0.453 109.255 108.800 0.003 0.000 2.491 385 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 385 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 385 G C 1.185 176.081 174.900 -0.007 0.000 1.180 385 G CA 0.951 46.047 45.100 -0.008 0.000 0.774 385 G HN 0.821 nan 8.290 nan 0.000 0.562 386 D N 0.534 120.934 120.400 -0.000 0.000 2.178 386 D HA -0.048 4.591 4.640 -0.000 0.000 0.201 386 D C 2.393 178.702 176.300 0.015 0.000 0.980 386 D CA 0.934 54.936 54.000 0.003 0.000 0.842 386 D CB -0.191 40.613 40.800 0.007 0.000 0.948 386 D HN 0.498 nan 8.370 nan 0.000 0.472 387 E N 0.058 120.271 120.200 0.021 0.000 2.107 387 E HA -0.010 4.340 4.350 -0.000 0.000 0.191 387 E C 2.278 178.893 176.600 0.024 0.000 0.982 387 E CA 0.209 56.626 56.400 0.029 0.000 0.809 387 E CB 0.067 29.791 29.700 0.040 0.000 0.756 387 E HN 0.225 nan 8.360 nan 0.000 0.459 388 L N 1.129 122.363 121.223 0.017 0.000 2.156 388 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 388 L C 1.767 178.662 176.870 0.042 0.000 1.095 388 L CA 0.684 55.535 54.840 0.018 0.000 0.770 388 L CB -0.231 41.834 42.059 0.009 0.000 0.914 388 L HN 0.090 nan 8.230 nan 0.000 0.439 389 D N 0.458 120.871 120.400 0.022 0.000 2.149 389 D HA -0.198 4.442 4.640 -0.000 0.000 0.198 389 D C 2.177 178.535 176.300 0.096 0.000 0.990 389 D CA 1.589 55.606 54.000 0.028 0.000 0.839 389 D CB 0.039 40.827 40.800 -0.021 0.000 0.948 389 D HN 0.341 nan 8.370 nan 0.000 0.460 390 A N 0.118 122.975 122.820 0.061 0.000 1.968 390 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 390 A C 2.488 180.099 177.584 0.046 0.000 1.169 390 A CA 0.891 52.962 52.037 0.057 0.000 0.638 390 A CB -0.645 18.378 19.000 0.037 0.000 0.812 390 A HN 0.334 nan 8.150 nan 0.000 0.446 391 C N -1.970 117.346 119.300 0.027 0.000 2.440 391 C HA -0.017 4.443 4.460 -0.000 0.000 0.278 391 C C 2.361 177.344 174.990 -0.011 0.000 1.295 391 C CA 0.741 59.736 59.018 -0.039 0.000 1.738 391 C CB -1.676 26.005 27.740 -0.099 0.000 1.987 391 C HN 0.710 nan 8.230 nan 0.000 0.492 392 F N 2.564 122.469 119.950 -0.075 0.000 2.069 392 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 392 F C 2.443 178.215 175.800 -0.046 0.000 1.113 392 F CA 2.406 60.371 58.000 -0.059 0.000 1.214 392 F CB -0.375 38.600 39.000 -0.041 0.000 0.978 392 F HN 0.191 nan 8.300 nan 0.000 0.474 393 E N 0.938 121.280 120.200 0.236 0.000 2.049 393 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 393 E C 2.128 178.711 176.600 -0.029 0.000 1.007 393 E CA 1.870 58.336 56.400 0.110 0.000 0.809 393 E CB -0.779 28.995 29.700 0.124 0.000 0.749 393 E HN 0.432 nan 8.360 nan 0.000 0.450 394 A N 0.307 123.108 122.820 -0.032 0.000 1.908 394 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 394 A C 2.533 180.057 177.584 -0.099 0.000 1.181 394 A CA 2.049 54.055 52.037 -0.051 0.000 0.627 394 A CB -1.540 17.433 19.000 -0.045 0.000 0.818 394 A HN 0.454 nan 8.150 nan 0.000 0.445 395 G N -0.663 108.038 108.800 -0.166 0.000 2.446 395 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 395 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 395 G C 1.768 176.536 174.900 -0.219 0.000 1.168 395 G CA 1.142 46.117 45.100 -0.208 0.000 0.771 395 G HN 0.570 nan 8.290 nan 0.000 0.551 396 R N 0.432 120.750 120.500 -0.303 0.000 2.073 396 R HA -0.029 4.311 4.340 -0.000 0.000 0.234 396 R C 2.523 178.751 176.300 -0.121 0.000 1.134 396 R CA 1.700 57.645 56.100 -0.257 0.000 0.952 396 R CB -0.319 29.794 30.300 -0.311 0.000 0.850 396 R HN 0.311 nan 8.270 nan 0.000 0.433 397 K N 0.503 120.854 120.400 -0.082 0.000 2.032 397 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 397 K C 2.189 178.771 176.600 -0.030 0.000 1.048 397 K CA 1.443 57.708 56.287 -0.037 0.000 0.927 397 K CB -0.205 32.283 32.500 -0.019 0.000 0.712 397 K HN 0.189 nan 8.250 nan 0.000 0.441 398 L N 0.154 121.355 121.223 -0.037 0.000 2.013 398 L HA -0.248 4.091 4.340 -0.000 0.000 0.212 398 L C 2.342 179.202 176.870 -0.017 0.000 1.073 398 L CA 1.750 56.580 54.840 -0.017 0.000 0.753 398 L CB -0.520 41.529 42.059 -0.017 0.000 0.890 398 L HN 0.327 nan 8.230 nan 0.000 0.432 399 A N -0.517 122.278 122.820 -0.041 0.000 1.855 399 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 399 A C 2.457 180.028 177.584 -0.021 0.000 1.191 399 A CA 1.612 53.628 52.037 -0.034 0.000 0.613 399 A CB -0.804 18.159 19.000 -0.062 0.000 0.829 399 A HN 0.506 nan 8.150 nan 0.000 0.442 400 A N -0.050 122.753 122.820 -0.027 0.000 1.917 400 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 400 A C 1.944 179.527 177.584 -0.002 0.000 1.182 400 A CA 2.397 54.426 52.037 -0.014 0.000 0.633 400 A CB -0.585 18.407 19.000 -0.013 0.000 0.819 400 A HN 0.593 nan 8.150 nan 0.000 0.448 401 E N 0.689 120.889 120.200 -0.000 0.000 2.097 401 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 401 E C 1.405 178.013 176.600 0.013 0.000 1.000 401 E CA 1.945 58.350 56.400 0.009 0.000 0.804 401 E CB -0.520 29.187 29.700 0.013 0.000 0.740 401 E HN 0.791 nan 8.360 nan 0.000 0.454 402 I N -1.788 118.791 120.570 0.014 0.000 3.793 402 I HA 0.249 4.419 4.170 -0.000 0.000 0.315 402 I C 0.960 177.087 176.117 0.017 0.000 1.275 402 I CA -0.164 61.148 61.300 0.019 0.000 1.214 402 I CB -0.065 37.951 38.000 0.027 0.000 1.018 402 I HN -0.170 nan 8.210 nan 0.000 0.439 403 R N 0.000 120.506 120.500 0.011 0.000 2.786 403 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 403 R CA 0.000 56.106 56.100 0.010 0.000 0.921 403 R CB 0.000 30.303 30.300 0.005 0.000 0.687 403 R HN 0.000 nan 8.270 nan 0.000 0.535