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 1uvk_1_A DATA FIRST_RESID 1 DATA SEQUENCE PRRAPAFPLS DIKAQMLFAN NIKAQQASKR SFKEGAIETY EGLLSVDPRF DATA SEQUENCE LSFKNELSRY LTDHFPANVD EYGRVYGNGV RTNFFGMRHM NGFPMIPATW DATA SEQUENCE PLASNLKKRA DADLADGPVS ERDNLLFRAA VRLMFSDLEP VPLKIRKGSS DATA SEQUENCE TCIPYFSNDM GTKIEIAERA LEKAEEAGNL MLQGKFDDAY QLHQMGGAYY DATA SEQUENCE VVYRAQSTDA ITLDPKTGKF VSKDRMVADF EYAVTGGEQG SLFAASKDAS DATA SEQUENCE RLKEQYGIDV PDGFFCERRR TAMGGPFALN APIMAVAQPV RNKIYSKYAY DATA SEQUENCE TFHHTTRLNK EEKVKEWSLC VATDVSDHDT FWPGWLRDLI CDELLNMGYA DATA SEQUENCE PWWVKLFETS LKLPVYVGAP APEQGHTLLG DPSNPDLEVG LSSGQGATDL DATA SEQUENCE MGTLLMSITY LVMQLDHTAP HLNSRIKDMP SACRFLDSYW QGHEEIRQIS DATA SEQUENCE KSDDAMLGWT KGRALVGGHR LFEMLKEGKV NPSPYMKISY EHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YVASMARQAG LAELTPIDLE VLADPNKLQY KWTEADVSAN IHEVLMHGVS DATA SEQUENCE VEKTERFLRS VMPR 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.272 177.300 -0.047 0.000 1.155 1 P CA 0.000 63.073 63.100 -0.045 0.000 0.800 1 P CB 0.000 31.677 31.700 -0.038 0.000 0.726 2 R N 2.553 123.025 120.500 -0.047 0.000 2.011 2 R HA -0.098 4.725 4.340 0.804 0.000 0.379 2 R C -0.658 175.602 176.300 -0.067 0.000 1.107 2 R CA 0.717 56.789 56.100 -0.046 0.000 0.754 2 R CB -0.646 29.634 30.300 -0.033 0.000 2.460 2 R HN 0.734 nan 8.270 nan 0.000 0.482 3 R N 2.780 123.233 120.500 -0.078 0.000 2.490 3 R HA 0.728 5.550 4.340 0.804 0.000 0.278 3 R C 0.188 176.430 176.300 -0.096 0.000 1.069 3 R CA -0.057 55.977 56.100 -0.110 0.000 1.080 3 R CB 1.046 31.268 30.300 -0.130 0.000 1.030 3 R HN 0.499 nan 8.270 nan 0.000 0.491 4 A N 4.018 126.771 122.820 -0.111 0.000 2.462 4 A HA 0.315 5.118 4.320 0.804 0.000 0.243 4 A C -1.895 175.630 177.584 -0.099 0.000 1.076 4 A CA -1.448 50.542 52.037 -0.077 0.000 0.773 4 A CB -0.274 18.688 19.000 -0.064 0.000 1.010 4 A HN 0.756 nan 8.150 nan 0.000 0.493 5 P HA 0.429 nan 4.420 nan 0.000 0.275 5 P C -0.715 176.389 177.300 -0.327 0.000 1.228 5 P CA 0.041 63.008 63.100 -0.221 0.000 0.786 5 P CB 1.347 32.970 31.700 -0.129 0.000 0.927 6 A N 2.731 125.234 122.820 -0.529 0.000 2.393 6 A HA 0.761 5.563 4.320 0.804 0.000 0.306 6 A C -1.369 175.858 177.584 -0.596 0.000 1.050 6 A CA -0.529 51.325 52.037 -0.305 0.000 0.724 6 A CB 0.855 19.952 19.000 0.162 0.000 1.248 6 A HN 0.367 nan 8.150 nan 0.000 0.424 7 F N 2.638 122.689 119.950 0.169 0.000 2.529 7 F HA 0.566 5.575 4.527 0.804 0.000 0.320 7 F C -2.198 173.705 175.800 0.171 0.000 1.118 7 F CA -2.344 55.745 58.000 0.148 0.000 0.915 7 F CB 2.240 41.324 39.000 0.139 0.000 1.161 7 F HN 0.335 nan 8.300 nan 0.000 0.445 8 P HA 0.026 nan 4.420 nan 0.000 0.274 8 P C 0.864 178.349 177.300 0.309 0.000 1.237 8 P CA -0.361 62.883 63.100 0.239 0.000 0.793 8 P CB 1.461 33.250 31.700 0.148 0.000 0.977 9 L N 3.299 124.727 121.223 0.341 0.000 2.064 9 L HA -0.265 4.558 4.340 0.804 0.000 0.216 9 L C 2.368 179.380 176.870 0.237 0.000 1.077 9 L CA 2.894 57.956 54.840 0.371 0.000 0.766 9 L CB -1.828 40.431 42.059 0.334 0.000 0.890 9 L HN 0.523 nan 8.230 nan 0.000 0.435 10 S N -1.821 113.983 115.700 0.173 0.000 2.469 10 S HA -0.153 4.799 4.470 0.804 0.000 0.238 10 S C 1.071 175.749 174.600 0.130 0.000 0.998 10 S CA 0.515 58.789 58.200 0.123 0.000 0.957 10 S CB -0.918 62.337 63.200 0.091 0.000 0.764 10 S HN 0.657 nan 8.310 nan 0.000 0.514 11 D N 0.707 121.208 120.400 0.170 0.000 2.372 11 D HA 0.070 5.192 4.640 0.804 0.000 0.243 11 D C 1.132 177.493 176.300 0.101 0.000 1.121 11 D CA -0.193 53.899 54.000 0.153 0.000 0.898 11 D CB 0.875 41.818 40.800 0.238 0.000 1.202 11 D HN 0.147 nan 8.370 nan 0.000 0.428 12 I N 3.800 124.402 120.570 0.053 0.000 2.335 12 I HA -0.225 4.427 4.170 0.804 0.000 0.251 12 I C 2.047 178.148 176.117 -0.027 0.000 1.129 12 I CA 1.527 62.841 61.300 0.023 0.000 1.402 12 I CB -0.025 37.982 38.000 0.011 0.000 1.069 12 I HN 0.384 nan 8.210 nan 0.000 0.424 13 K N 0.260 120.584 120.400 -0.125 0.000 2.148 13 K HA -0.064 4.738 4.320 0.804 0.000 0.204 13 K C 2.120 178.642 176.600 -0.131 0.000 1.050 13 K CA 1.277 57.415 56.287 -0.250 0.000 0.942 13 K CB -0.272 31.837 32.500 -0.652 0.000 0.724 13 K HN 0.479 nan 8.250 nan 0.000 0.446 14 A N 1.021 123.856 122.820 0.026 0.000 1.874 14 A HA -0.131 4.671 4.320 0.804 0.000 0.214 14 A C 2.029 179.741 177.584 0.214 0.000 1.189 14 A CA 0.869 53.019 52.037 0.188 0.000 0.615 14 A CB -0.267 18.966 19.000 0.388 0.000 0.830 14 A HN 0.134 nan 8.150 nan 0.000 0.443 15 Q N -0.342 119.579 119.800 0.201 0.000 2.152 15 Q HA -0.167 4.655 4.340 0.804 0.000 0.206 15 Q C 1.971 178.076 176.000 0.176 0.000 0.985 15 Q CA 1.483 57.419 55.803 0.223 0.000 0.863 15 Q CB -0.489 28.328 28.738 0.131 0.000 0.904 15 Q HN 0.689 nan 8.270 nan 0.000 0.422 16 M N -0.048 119.593 119.600 0.069 0.000 2.630 16 M HA -0.035 4.927 4.480 0.804 0.000 0.254 16 M C 1.617 177.931 176.300 0.023 0.000 1.092 16 M CA 0.674 56.014 55.300 0.066 0.000 1.087 16 M CB -0.200 32.439 32.600 0.065 0.000 1.453 16 M HN 0.138 nan 8.290 nan 0.000 0.509 17 L N -0.930 120.163 121.223 -0.217 0.000 2.554 17 L HA 0.078 4.901 4.340 0.804 0.000 0.226 17 L C -0.265 176.135 176.870 -0.784 0.000 1.137 17 L CA 0.205 54.705 54.840 -0.566 0.000 0.863 17 L CB -0.212 41.283 42.059 -0.940 0.000 0.985 17 L HN 0.065 nan 8.230 nan 0.000 0.451 18 F N 0.156 120.124 119.950 0.030 0.000 2.499 18 F HA 0.589 5.598 4.527 0.804 0.000 0.333 18 F C 0.643 176.461 175.800 0.030 0.000 1.138 18 F CA -1.098 56.924 58.000 0.036 0.000 0.945 18 F CB 0.777 39.754 39.000 -0.038 0.000 1.181 18 F HN -0.218 nan 8.300 nan 0.000 0.435 19 A N 1.853 124.776 122.820 0.172 0.000 2.429 19 A HA 0.077 4.879 4.320 0.804 0.000 0.242 19 A C 0.563 178.247 177.584 0.167 0.000 1.088 19 A CA -0.326 51.797 52.037 0.143 0.000 0.784 19 A CB 0.100 19.237 19.000 0.228 0.000 1.038 19 A HN 0.774 nan 8.150 nan 0.000 0.501 20 N N 0.860 119.639 118.700 0.133 0.000 3.254 20 N HA 0.145 5.367 4.740 0.804 0.000 0.308 20 N C -0.771 174.793 175.510 0.090 0.000 1.281 20 N CA 0.039 53.146 53.050 0.095 0.000 1.212 20 N CB -0.837 37.693 38.487 0.072 0.000 1.478 20 N HN 0.737 nan 8.380 nan 0.000 0.548 21 N N -0.546 118.215 118.700 0.101 0.000 2.416 21 N HA 0.260 5.482 4.740 0.804 0.000 0.276 21 N C 0.564 176.107 175.510 0.055 0.000 1.261 21 N CA -0.793 52.304 53.050 0.080 0.000 0.790 21 N CB 0.730 39.280 38.487 0.105 0.000 1.554 21 N HN -0.249 nan 8.380 nan 0.000 0.481 22 I N 0.362 120.950 120.570 0.029 0.000 2.208 22 I HA -0.203 4.449 4.170 0.804 0.000 0.245 22 I C 1.918 178.027 176.117 -0.014 0.000 1.097 22 I CA 1.348 62.650 61.300 0.003 0.000 1.363 22 I CB -1.027 36.972 38.000 -0.001 0.000 1.051 22 I HN 0.653 nan 8.210 nan 0.000 0.413 23 K N 0.969 121.377 120.400 0.013 0.000 2.009 23 K HA -0.121 4.682 4.320 0.804 0.000 0.210 23 K C 2.220 178.774 176.600 -0.077 0.000 1.049 23 K CA 1.651 57.939 56.287 0.001 0.000 0.929 23 K CB -0.408 32.139 32.500 0.078 0.000 0.714 23 K HN 0.327 nan 8.250 nan 0.000 0.440 24 A N 1.714 124.555 122.820 0.035 0.000 1.877 24 A HA -0.193 4.609 4.320 0.804 0.000 0.216 24 A C 2.183 179.656 177.584 -0.185 0.000 1.186 24 A CA 1.344 53.392 52.037 0.020 0.000 0.620 24 A CB -0.378 18.825 19.000 0.338 0.000 0.822 24 A HN 0.257 nan 8.150 nan 0.000 0.443 25 Q N -0.343 119.393 119.800 -0.105 0.000 2.084 25 Q HA -0.225 4.597 4.340 0.804 0.000 0.202 25 Q C 2.130 177.973 176.000 -0.262 0.000 0.978 25 Q CA 1.905 57.597 55.803 -0.185 0.000 0.844 25 Q CB -0.459 28.228 28.738 -0.085 0.000 0.898 25 Q HN 0.835 nan 8.270 nan 0.000 0.426 26 Q N -0.175 119.504 119.800 -0.201 0.000 2.119 26 Q HA -0.040 4.782 4.340 0.804 0.000 0.201 26 Q C 2.004 177.871 176.000 -0.222 0.000 0.972 26 Q CA 1.269 56.971 55.803 -0.169 0.000 0.847 26 Q CB -0.123 28.551 28.738 -0.106 0.000 0.903 26 Q HN 0.396 nan 8.270 nan 0.000 0.433 27 A N 0.663 123.244 122.820 -0.398 0.000 1.972 27 A HA -0.196 4.606 4.320 0.804 0.000 0.219 27 A C 2.179 179.573 177.584 -0.317 0.000 1.169 27 A CA 1.700 53.458 52.037 -0.467 0.000 0.635 27 A CB -0.627 17.593 19.000 -1.300 0.000 0.810 27 A HN 0.446 nan 8.150 nan 0.000 0.446 28 S N -0.294 114.982 115.700 -0.706 0.000 2.406 28 S HA -0.093 4.859 4.470 0.804 0.000 0.228 28 S C 1.613 176.141 174.600 -0.119 0.000 1.020 28 S CA 1.434 59.069 58.200 -0.941 0.000 0.965 28 S CB -0.232 61.747 63.200 -2.035 0.000 0.798 28 S HN 0.605 nan 8.310 nan 0.000 0.488 29 K N 0.214 120.555 120.400 -0.098 0.000 2.353 29 K HA 0.274 5.077 4.320 0.804 0.000 0.195 29 K C 0.530 177.226 176.600 0.159 0.000 1.031 29 K CA -0.356 55.941 56.287 0.017 0.000 1.079 29 K CB 0.126 32.568 32.500 -0.097 0.000 0.857 29 K HN 0.174 nan 8.250 nan 0.000 0.535 30 R N 2.628 123.227 120.500 0.165 0.000 2.486 30 R HA -0.079 4.743 4.340 0.804 0.000 0.304 30 R C -0.175 176.308 176.300 0.305 0.000 0.913 30 R CA 0.297 56.498 56.100 0.169 0.000 1.124 30 R CB -0.002 30.380 30.300 0.137 0.000 0.891 30 R HN 0.160 nan 8.270 nan 0.000 0.410 31 S N 4.112 119.938 115.700 0.210 0.000 2.693 31 S HA 0.304 5.257 4.470 0.804 0.000 0.276 31 S C -0.030 174.693 174.600 0.206 0.000 1.192 31 S CA -0.950 57.406 58.200 0.260 0.000 0.994 31 S CB 0.633 63.935 63.200 0.171 0.000 1.012 31 S HN 0.511 nan 8.310 nan 0.000 0.550 32 F N 1.354 121.371 119.950 0.112 0.000 2.629 32 F HA 0.423 5.432 4.527 0.804 0.000 0.377 32 F C 0.173 176.014 175.800 0.068 0.000 1.101 32 F CA 0.632 58.674 58.000 0.070 0.000 1.301 32 F CB 0.229 39.264 39.000 0.060 0.000 1.062 32 F HN 0.585 nan 8.300 nan 0.000 0.583 33 K N 4.677 124.600 120.400 -0.794 0.000 2.464 33 K HA 0.383 5.186 4.320 0.804 0.000 0.253 33 K C -1.432 174.779 176.600 -0.648 0.000 0.933 33 K CA -0.766 55.233 56.287 -0.480 0.000 0.801 33 K CB 1.822 34.179 32.500 -0.238 0.000 1.271 33 K HN 0.724 nan 8.250 nan 0.000 0.430 34 E N 0.896 120.876 120.200 -0.366 0.000 2.433 34 E HA 0.851 5.683 4.350 0.804 0.000 0.278 34 E C -0.715 175.572 176.600 -0.522 0.000 0.976 34 E CA -1.505 54.658 56.400 -0.394 0.000 0.793 34 E CB 2.126 31.755 29.700 -0.118 0.000 1.311 34 E HN 0.580 nan 8.360 nan 0.000 0.460 35 G N -0.312 107.899 108.800 -0.982 0.000 2.361 35 G HA2 0.469 4.911 3.960 0.804 0.000 0.299 35 G HA3 0.469 4.911 3.960 0.804 0.000 0.299 35 G C -1.309 173.014 174.900 -0.963 0.000 1.544 35 G CA -0.469 44.049 45.100 -0.971 0.000 0.860 35 G HN 0.723 nan 8.290 nan 0.000 0.610 36 A N 0.332 122.839 122.820 -0.521 0.000 2.462 36 A HA 0.604 5.406 4.320 0.804 0.000 0.243 36 A C 0.941 178.443 177.584 -0.137 0.000 1.076 36 A CA 0.236 52.175 52.037 -0.163 0.000 0.773 36 A CB -0.243 18.832 19.000 0.125 0.000 1.010 36 A HN 1.772 nan 8.150 nan 0.000 0.493 37 I N -0.908 119.615 120.570 -0.077 0.000 2.834 37 I HA 0.406 5.059 4.170 0.804 0.000 0.305 37 I C 0.348 176.445 176.117 -0.033 0.000 1.008 37 I CA -0.538 60.726 61.300 -0.060 0.000 1.273 37 I CB 0.934 38.908 38.000 -0.043 0.000 1.432 37 I HN 0.670 nan 8.210 nan 0.000 0.557 38 E N 2.778 122.952 120.200 -0.042 0.000 1.924 38 E HA 0.133 4.965 4.350 0.804 0.000 0.261 38 E C 0.394 176.941 176.600 -0.089 0.000 1.088 38 E CA -0.181 56.194 56.400 -0.042 0.000 0.909 38 E CB 0.618 30.302 29.700 -0.028 0.000 1.112 38 E HN 0.814 nan 8.360 nan 0.000 0.425 39 T N 3.117 117.591 114.554 -0.132 0.000 2.653 39 T HA -0.187 4.645 4.350 0.804 0.000 0.268 39 T C -0.059 174.284 174.700 -0.595 0.000 1.035 39 T CA 1.600 63.520 62.100 -0.301 0.000 1.154 39 T CB -0.089 68.596 68.868 -0.305 0.000 0.862 39 T HN 0.344 nan 8.240 nan 0.000 0.441 40 Y N -0.304 119.992 120.300 -0.006 0.000 2.615 40 Y HA 0.396 5.428 4.550 0.804 0.000 0.341 40 Y C -0.211 175.697 175.900 0.014 0.000 1.089 40 Y CA -1.796 56.319 58.100 0.024 0.000 1.049 40 Y CB 1.167 39.688 38.460 0.101 0.000 1.296 40 Y HN -0.056 nan 8.280 nan 0.000 0.470 41 E N 0.738 121.050 120.200 0.188 0.000 2.558 41 E HA 0.244 5.076 4.350 0.804 0.000 0.255 41 E C 0.784 177.446 176.600 0.103 0.000 0.968 41 E CA 1.523 57.980 56.400 0.095 0.000 0.939 41 E CB 0.048 29.784 29.700 0.059 0.000 0.921 41 E HN 0.897 nan 8.360 nan 0.000 0.477 42 G N 3.228 112.066 108.800 0.063 0.000 2.184 42 G HA2 -0.287 4.155 3.960 0.804 0.000 0.264 42 G HA3 -0.287 4.155 3.960 0.804 0.000 0.264 42 G C -0.009 174.923 174.900 0.054 0.000 0.975 42 G CA -0.100 45.033 45.100 0.056 0.000 0.642 42 G HN 0.475 nan 8.290 nan 0.000 0.536 43 L N 0.792 122.047 121.223 0.053 0.000 2.343 43 L HA 0.632 5.454 4.340 0.804 0.000 0.278 43 L C -0.446 176.405 176.870 -0.032 0.000 0.996 43 L CA -0.993 53.851 54.840 0.007 0.000 0.831 43 L CB 1.227 43.273 42.059 -0.022 0.000 1.232 43 L HN 0.024 nan 8.230 nan 0.000 0.413 44 L N 2.962 124.185 121.223 -0.000 0.000 2.350 44 L HA 0.207 5.029 4.340 0.804 0.000 0.275 44 L C 1.596 178.504 176.870 0.063 0.000 1.099 44 L CA 0.517 55.372 54.840 0.025 0.000 0.808 44 L CB 1.833 43.924 42.059 0.053 0.000 1.149 44 L HN 0.749 nan 8.230 nan 0.000 0.442 45 S N 1.619 117.389 115.700 0.116 0.000 2.465 45 S HA -0.109 4.843 4.470 0.804 0.000 0.241 45 S C 1.067 175.908 174.600 0.400 0.000 1.000 45 S CA 0.951 59.337 58.200 0.311 0.000 0.964 45 S CB -0.493 62.882 63.200 0.291 0.000 0.763 45 S HN 0.582 nan 8.310 nan 0.000 0.512 46 V N -1.454 118.616 119.914 0.260 0.000 3.376 46 V HA 0.303 4.905 4.120 0.804 0.000 0.313 46 V C 0.299 176.462 176.094 0.114 0.000 1.393 46 V CA -0.448 61.961 62.300 0.181 0.000 1.125 46 V CB -0.657 31.256 31.823 0.150 0.000 1.037 46 V HN 0.293 nan 8.190 nan 0.000 0.440 47 D N 2.404 122.902 120.400 0.163 0.000 2.487 47 D HA 0.066 5.189 4.640 0.804 0.000 0.243 47 D C -1.342 174.983 176.300 0.041 0.000 1.154 47 D CA -0.956 53.105 54.000 0.102 0.000 0.876 47 D CB 2.012 42.897 40.800 0.142 0.000 1.161 47 D HN 0.156 nan 8.370 nan 0.000 0.478 48 P HA -0.166 nan 4.420 nan 0.000 0.217 48 P C 1.073 178.252 177.300 -0.203 0.000 1.151 48 P CA 1.477 64.496 63.100 -0.135 0.000 0.849 48 P CB 0.254 31.875 31.700 -0.132 0.000 0.787 49 R N -1.918 118.406 120.500 -0.293 0.000 2.073 49 R HA -0.101 4.721 4.340 0.804 0.000 0.234 49 R C 2.194 178.208 176.300 -0.477 0.000 1.134 49 R CA 1.145 56.865 56.100 -0.633 0.000 0.952 49 R CB -1.511 27.997 30.300 -1.319 0.000 0.850 49 R HN 0.141 nan 8.270 nan 0.000 0.433 50 F N 1.237 121.027 119.950 -0.268 0.000 2.126 50 F HA -0.117 4.892 4.527 0.804 0.000 0.299 50 F C 1.671 177.535 175.800 0.106 0.000 1.096 50 F CA 1.393 59.451 58.000 0.097 0.000 1.255 50 F CB -0.186 38.958 39.000 0.240 0.000 0.997 50 F HN -0.084 nan 8.300 nan 0.000 0.479 51 L N -1.547 119.620 121.223 -0.093 0.000 2.156 51 L HA -0.168 4.655 4.340 0.804 0.000 0.208 51 L C 2.647 179.361 176.870 -0.260 0.000 1.095 51 L CA 1.244 55.885 54.840 -0.332 0.000 0.770 51 L CB -1.023 40.671 42.059 -0.609 0.000 0.914 51 L HN 0.100 nan 8.230 nan 0.000 0.439 52 S N -0.015 115.563 115.700 -0.204 0.000 2.356 52 S HA -0.207 4.745 4.470 0.804 0.000 0.223 52 S C 1.933 176.491 174.600 -0.071 0.000 1.032 52 S CA 1.231 59.343 58.200 -0.145 0.000 1.005 52 S CB -0.296 62.798 63.200 -0.177 0.000 0.867 52 S HN 0.418 nan 8.310 nan 0.000 0.449 53 F N 2.179 121.990 119.950 -0.232 0.000 2.069 53 F HA -0.109 4.900 4.527 0.804 0.000 0.298 53 F C 2.087 177.798 175.800 -0.148 0.000 1.113 53 F CA 1.917 59.805 58.000 -0.185 0.000 1.214 53 F CB -0.453 38.438 39.000 -0.181 0.000 0.978 53 F HN 0.109 nan 8.300 nan 0.000 0.474 54 K N -0.061 120.184 120.400 -0.260 0.000 2.097 54 K HA -0.227 4.576 4.320 0.804 0.000 0.206 54 K C 1.923 178.498 176.600 -0.043 0.000 1.049 54 K CA 1.469 57.611 56.287 -0.243 0.000 0.933 54 K CB -0.464 32.044 32.500 0.014 0.000 0.717 54 K HN 0.350 nan 8.250 nan 0.000 0.442 55 N N 1.492 120.263 118.700 0.119 0.000 2.058 55 N HA -0.232 4.991 4.740 0.804 0.000 0.191 55 N C 1.755 177.300 175.510 0.059 0.000 1.037 55 N CA 1.758 54.901 53.050 0.156 0.000 0.848 55 N CB -0.001 38.591 38.487 0.174 0.000 1.021 55 N HN 0.237 nan 8.380 nan 0.000 0.422 56 E N -0.689 119.498 120.200 -0.022 0.000 2.072 56 E HA -0.171 4.661 4.350 0.804 0.000 0.191 56 E C 1.977 178.552 176.600 -0.041 0.000 0.985 56 E CA 0.856 57.249 56.400 -0.012 0.000 0.801 56 E CB -0.213 29.462 29.700 -0.043 0.000 0.750 56 E HN 0.385 nan 8.360 nan 0.000 0.452 57 L N 1.116 122.186 121.223 -0.255 0.000 2.027 57 L HA -0.163 4.659 4.340 0.804 0.000 0.206 57 L C 2.506 179.338 176.870 -0.064 0.000 1.074 57 L CA 2.407 57.085 54.840 -0.271 0.000 0.745 57 L CB -0.707 40.936 42.059 -0.693 0.000 0.898 57 L HN 0.271 nan 8.230 nan 0.000 0.433 58 S N -0.783 114.913 115.700 -0.006 0.000 2.368 58 S HA -0.227 4.726 4.470 0.804 0.000 0.225 58 S C 2.160 176.931 174.600 0.286 0.000 1.030 58 S CA 1.130 59.428 58.200 0.163 0.000 0.999 58 S CB -0.668 62.699 63.200 0.278 0.000 0.844 58 S HN 0.506 nan 8.310 nan 0.000 0.459 59 R N -0.464 120.266 120.500 0.382 0.000 2.081 59 R HA -0.025 4.798 4.340 0.804 0.000 0.235 59 R C 2.344 178.815 176.300 0.285 0.000 1.131 59 R CA 1.643 58.020 56.100 0.462 0.000 0.960 59 R CB -0.578 29.939 30.300 0.363 0.000 0.856 59 R HN 0.596 nan 8.270 nan 0.000 0.436 60 Y N 1.408 121.774 120.300 0.110 0.000 2.114 60 Y HA -0.178 4.854 4.550 0.804 0.000 0.284 60 Y C 1.952 177.909 175.900 0.096 0.000 1.143 60 Y CA 1.544 59.705 58.100 0.102 0.000 1.135 60 Y CB -0.219 38.239 38.460 -0.002 0.000 0.980 60 Y HN -0.062 nan 8.280 nan 0.000 0.499 61 L N -0.913 120.336 121.223 0.045 0.000 2.083 61 L HA -0.243 4.580 4.340 0.804 0.000 0.209 61 L C 2.312 179.125 176.870 -0.095 0.000 1.083 61 L CA 1.798 56.523 54.840 -0.191 0.000 0.752 61 L CB -1.012 40.455 42.059 -0.986 0.000 0.899 61 L HN 0.238 nan 8.230 nan 0.000 0.433 62 T N -1.068 113.496 114.554 0.017 0.000 2.708 62 T HA -0.236 4.597 4.350 0.804 0.000 0.266 62 T C 1.510 176.223 174.700 0.022 0.000 1.037 62 T CA 1.834 63.991 62.100 0.095 0.000 1.146 62 T CB -0.262 68.453 68.868 -0.256 0.000 0.865 62 T HN 0.340 nan 8.240 nan 0.000 0.435 63 D N 0.093 120.471 120.400 -0.037 0.000 2.117 63 D HA -0.113 5.009 4.640 0.804 0.000 0.197 63 D C 1.800 177.840 176.300 -0.433 0.000 0.987 63 D CA 1.203 55.100 54.000 -0.171 0.000 0.829 63 D CB -0.029 40.685 40.800 -0.145 0.000 0.961 63 D HN 0.488 nan 8.370 nan 0.000 0.460 64 H N -2.300 116.453 119.070 -0.528 0.000 2.544 64 H HA 0.244 5.282 4.556 0.804 0.000 0.269 64 H C -0.169 174.595 175.328 -0.941 0.000 0.970 64 H CA 0.497 56.034 56.048 -0.852 0.000 1.219 64 H CB 0.312 29.269 29.762 -1.343 0.000 1.421 64 H HN 0.078 nan 8.280 nan 0.000 0.555 65 F N 1.620 121.568 119.950 -0.004 0.000 2.646 65 F HA 0.290 5.299 4.527 0.804 0.000 0.336 65 F C -2.459 173.423 175.800 0.137 0.000 1.437 65 F CA -2.754 55.293 58.000 0.077 0.000 1.142 65 F CB 0.740 39.809 39.000 0.115 0.000 1.530 65 F HN -0.093 nan 8.300 nan 0.000 0.591 66 P HA 0.145 nan 4.420 nan 0.000 0.271 66 P C 0.029 177.392 177.300 0.105 0.000 1.233 66 P CA -0.126 63.042 63.100 0.114 0.000 0.789 66 P CB 1.009 32.737 31.700 0.047 0.000 0.951 67 A N 2.119 124.974 122.820 0.058 0.000 2.483 67 A HA 0.065 4.868 4.320 0.804 0.000 0.238 67 A C 0.347 177.903 177.584 -0.047 0.000 1.070 67 A CA -0.023 52.020 52.037 0.011 0.000 0.770 67 A CB -0.819 18.195 19.000 0.024 0.000 1.008 67 A HN 0.632 nan 8.150 nan 0.000 0.497 68 N N 0.837 119.420 118.700 -0.196 0.000 2.904 68 N HA 0.432 5.655 4.740 0.804 0.000 0.257 68 N C -1.600 173.585 175.510 -0.541 0.000 1.363 68 N CA -0.237 52.444 53.050 -0.615 0.000 0.856 68 N CB 1.321 39.231 38.487 -0.962 0.000 1.166 68 N HN 0.350 nan 8.380 nan 0.000 0.499 69 V N 1.363 121.248 119.914 -0.048 0.000 2.577 69 V HA 0.199 4.801 4.120 0.804 0.000 0.303 69 V C -0.180 176.089 176.094 0.293 0.000 1.042 69 V CA -0.988 61.373 62.300 0.101 0.000 0.872 69 V CB 1.773 33.533 31.823 -0.104 0.000 0.998 69 V HN 0.510 nan 8.190 nan 0.000 0.423 70 D N 2.800 123.405 120.400 0.341 0.000 2.447 70 D HA 0.183 5.305 4.640 0.804 0.000 0.265 70 D C 0.846 177.251 176.300 0.176 0.000 1.250 70 D CA -0.513 53.629 54.000 0.237 0.000 1.046 70 D CB 0.752 41.629 40.800 0.128 0.000 1.095 70 D HN 0.447 nan 8.370 nan 0.000 0.555 71 E N -1.512 118.765 120.200 0.129 0.000 2.331 71 E HA -0.142 4.690 4.350 0.804 0.000 0.199 71 E C 0.412 176.875 176.600 -0.227 0.000 1.008 71 E CA 1.090 57.491 56.400 0.002 0.000 0.843 71 E CB -0.574 29.076 29.700 -0.082 0.000 0.761 71 E HN 0.500 nan 8.360 nan 0.000 0.507 72 Y N -0.478 119.743 120.300 -0.131 0.000 2.658 72 Y HA 0.332 5.364 4.550 0.802 0.000 0.276 72 Y C 1.477 177.391 175.900 0.024 0.000 1.167 72 Y CA -0.099 57.831 58.100 -0.283 0.000 1.230 72 Y CB 0.668 38.860 38.460 -0.447 0.000 1.144 72 Y HN 0.114 nan 8.280 nan 0.000 0.529 73 G N 1.052 109.992 108.800 0.233 0.000 2.180 73 G HA2 -0.361 4.082 3.960 0.804 0.000 0.263 73 G HA3 -0.361 4.082 3.960 0.804 0.000 0.263 73 G C 0.186 175.213 174.900 0.212 0.000 0.989 73 G CA -0.004 45.227 45.100 0.217 0.000 0.692 73 G HN 0.340 nan 8.290 nan 0.000 0.526 74 R N -0.534 120.102 120.500 0.226 0.000 2.410 74 R HA 0.618 5.440 4.340 0.804 0.000 0.288 74 R C 0.540 177.025 176.300 0.308 0.000 1.051 74 R CA -0.098 56.170 56.100 0.279 0.000 1.021 74 R CB 1.932 32.248 30.300 0.027 0.000 1.032 74 R HN 0.633 nan 8.270 nan 0.000 0.481 75 V N 2.790 122.897 119.914 0.322 0.000 2.532 75 V HA 0.668 5.270 4.120 0.804 0.000 0.295 75 V C -0.912 175.364 176.094 0.304 0.000 1.041 75 V CA -0.292 62.129 62.300 0.202 0.000 0.926 75 V CB 0.750 32.613 31.823 0.068 0.000 0.992 75 V HN 0.828 nan 8.190 nan 0.000 0.457 76 Y N 3.191 123.573 120.300 0.137 0.000 3.068 76 Y HA 0.960 5.991 4.550 0.803 0.000 0.302 76 Y C 1.057 177.020 175.900 0.106 0.000 1.610 76 Y CA -0.425 57.751 58.100 0.128 0.000 1.078 76 Y CB 0.300 38.831 38.460 0.118 0.000 1.418 76 Y HN 1.413 nan 8.280 nan 0.000 0.525 77 G N 1.549 110.493 108.800 0.239 0.000 2.660 77 G HA2 -0.489 3.953 3.960 0.804 0.000 0.321 77 G HA3 -0.489 3.953 3.960 0.804 0.000 0.321 77 G C 0.800 175.725 174.900 0.043 0.000 1.246 77 G CA 1.137 46.307 45.100 0.117 0.000 1.000 77 G HN 1.426 nan 8.290 nan 0.000 0.550 78 N N 2.148 120.854 118.700 0.009 0.000 2.520 78 N HA 0.211 5.434 4.740 0.804 0.000 0.185 78 N C 1.705 177.234 175.510 0.032 0.000 1.068 78 N CA 1.249 54.336 53.050 0.062 0.000 0.911 78 N CB -0.158 38.419 38.487 0.151 0.000 0.961 78 N HN 2.209 nan 8.380 nan 0.000 0.446 79 G N 0.168 108.960 108.800 -0.014 0.000 2.160 79 G HA2 -0.257 4.185 3.960 0.804 0.000 0.251 79 G HA3 -0.257 4.185 3.960 0.804 0.000 0.251 79 G C -0.202 174.708 174.900 0.016 0.000 1.008 79 G CA 0.246 45.353 45.100 0.011 0.000 0.724 79 G HN 0.261 nan 8.290 nan 0.000 0.514 80 V N 0.432 120.344 119.914 -0.002 0.000 2.394 80 V HA 0.429 5.031 4.120 0.804 0.000 0.282 80 V C 1.460 177.522 176.094 -0.054 0.000 1.031 80 V CA -0.464 61.832 62.300 -0.005 0.000 0.881 80 V CB 1.497 33.380 31.823 0.101 0.000 0.982 80 V HN 0.382 nan 8.190 nan 0.000 0.451 81 R N 1.855 122.311 120.500 -0.073 0.000 2.189 81 R HA 0.224 5.046 4.340 0.804 0.000 0.203 81 R C 0.716 176.998 176.300 -0.031 0.000 1.012 81 R CA 0.522 56.599 56.100 -0.038 0.000 1.015 81 R CB 0.600 30.892 30.300 -0.013 0.000 0.938 81 R HN 0.710 nan 8.270 nan 0.000 0.472 82 T N -0.092 114.383 114.554 -0.132 0.000 2.661 82 T HA 0.127 4.959 4.350 0.804 0.000 0.305 82 T C -1.569 172.959 174.700 -0.286 0.000 1.441 82 T CA -0.873 61.148 62.100 -0.131 0.000 0.999 82 T CB 0.811 69.625 68.868 -0.089 0.000 1.650 82 T HN 0.241 nan 8.240 nan 0.000 0.489 83 N N 0.088 118.653 118.700 -0.226 0.000 2.288 83 N HA 0.243 5.465 4.740 0.804 0.000 0.237 83 N C -0.047 175.153 175.510 -0.517 0.000 1.311 83 N CA 0.031 52.880 53.050 -0.334 0.000 0.909 83 N CB -0.086 38.170 38.487 -0.384 0.000 1.167 83 N HN 0.471 nan 8.380 nan 0.000 0.476 84 F N -1.661 118.018 119.950 -0.452 0.000 2.639 84 F HA 0.370 5.380 4.527 0.805 0.000 0.300 84 F C 0.591 176.303 175.800 -0.146 0.000 1.109 84 F CA -0.534 57.330 58.000 -0.227 0.000 1.335 84 F CB -0.507 38.419 39.000 -0.125 0.000 1.014 84 F HN 0.387 nan 8.300 nan 0.000 0.537 85 F N -0.382 119.658 119.950 0.151 0.000 2.699 85 F HA 0.013 5.022 4.527 0.804 0.000 0.298 85 F C 2.379 178.164 175.800 -0.026 0.000 1.154 85 F CA 0.289 58.318 58.000 0.048 0.000 1.457 85 F CB -0.483 38.585 39.000 0.113 0.000 1.106 85 F HN 0.139 nan 8.300 nan 0.000 0.585 86 G N 1.393 110.300 108.800 0.178 0.000 2.479 86 G HA2 -0.285 4.157 3.960 0.804 0.000 0.220 86 G HA3 -0.285 4.157 3.960 0.804 0.000 0.220 86 G C 1.572 176.619 174.900 0.245 0.000 1.115 86 G CA 0.868 46.087 45.100 0.197 0.000 0.757 86 G HN 0.507 nan 8.290 nan 0.000 0.560 87 M N -0.554 119.152 119.600 0.177 0.000 2.659 87 M HA 0.286 5.249 4.480 0.804 0.000 0.243 87 M C 1.153 177.484 176.300 0.052 0.000 1.111 87 M CA 0.473 55.889 55.300 0.194 0.000 1.070 87 M CB 0.117 32.840 32.600 0.205 0.000 1.525 87 M HN -0.108 nan 8.290 nan 0.000 0.517 88 R N 1.897 122.257 120.500 -0.233 0.000 4.609 88 R HA 0.218 5.040 4.340 0.804 0.000 0.235 88 R C -0.748 175.189 176.300 -0.605 0.000 1.836 88 R CA 0.042 55.672 56.100 -0.783 0.000 1.564 88 R CB -0.480 29.126 30.300 -1.157 0.000 1.382 88 R HN 0.479 nan 8.270 nan 0.000 0.776 89 H N 0.599 119.735 119.070 0.109 0.000 2.622 89 H HA 0.247 5.285 4.556 0.804 0.000 0.363 89 H C 0.269 175.800 175.328 0.339 0.000 1.151 89 H CA -0.938 55.253 56.048 0.239 0.000 1.184 89 H CB 1.868 31.744 29.762 0.190 0.000 1.643 89 H HN -0.044 nan 8.280 nan 0.000 0.531 90 M N 2.771 122.637 119.600 0.442 0.000 3.042 90 M HA 0.044 5.007 4.480 0.804 0.000 0.283 90 M C -0.094 176.478 176.300 0.453 0.000 1.473 90 M CA -0.257 55.294 55.300 0.418 0.000 1.583 90 M CB -1.263 31.524 32.600 0.311 0.000 1.221 90 M HN 0.318 nan 8.290 nan 0.000 0.518 91 N N 2.157 121.075 118.700 0.363 0.000 2.359 91 N HA 0.122 5.344 4.740 0.804 0.000 0.261 91 N C 1.353 176.927 175.510 0.106 0.000 1.267 91 N CA 1.097 54.281 53.050 0.225 0.000 0.864 91 N CB 0.664 39.272 38.487 0.201 0.000 1.063 91 N HN 0.922 nan 8.380 nan 0.000 0.474 92 G N 1.215 110.003 108.800 -0.021 0.000 2.238 92 G HA2 -0.229 4.214 3.960 0.804 0.000 0.217 92 G HA3 -0.229 4.214 3.960 0.804 0.000 0.217 92 G C -0.350 174.291 174.900 -0.432 0.000 0.996 92 G CA -0.538 44.408 45.100 -0.257 0.000 0.632 92 G HN 0.454 nan 8.290 nan 0.000 0.503 93 F N 3.572 123.551 119.950 0.049 0.000 2.375 93 F HA 0.530 5.539 4.527 0.804 0.000 0.361 93 F C -1.653 174.219 175.800 0.121 0.000 1.117 93 F CA -2.229 55.823 58.000 0.087 0.000 1.037 93 F CB 2.260 41.332 39.000 0.120 0.000 1.192 93 F HN -0.112 nan 8.300 nan 0.000 0.452 94 P HA 0.221 nan 4.420 nan 0.000 0.278 94 P C -0.593 176.845 177.300 0.230 0.000 1.258 94 P CA -0.669 62.554 63.100 0.206 0.000 0.811 94 P CB 1.275 33.070 31.700 0.159 0.000 1.063 95 M N 0.681 120.368 119.600 0.145 0.000 2.248 95 M HA 0.385 5.348 4.480 0.804 0.000 0.337 95 M C -0.515 175.829 176.300 0.073 0.000 1.121 95 M CA 0.477 55.842 55.300 0.109 0.000 1.155 95 M CB -0.121 32.511 32.600 0.054 0.000 1.514 95 M HN 0.041 nan 8.290 nan 0.000 0.452 96 I N 3.698 124.297 120.570 0.049 0.000 2.436 96 I HA 0.582 5.234 4.170 0.804 0.000 0.289 96 I C -2.261 173.864 176.117 0.012 0.000 1.010 96 I CA -2.327 58.965 61.300 -0.014 0.000 1.098 96 I CB 1.385 39.354 38.000 -0.052 0.000 1.266 96 I HN 0.644 nan 8.210 nan 0.000 0.434 97 P HA 0.503 nan 4.420 nan 0.000 0.286 97 P C -0.783 176.426 177.300 -0.151 0.000 1.292 97 P CA -0.476 62.579 63.100 -0.075 0.000 0.842 97 P CB 1.863 33.579 31.700 0.027 0.000 1.207 98 A N 0.214 122.865 122.820 -0.282 0.000 2.259 98 A HA 0.457 5.260 4.320 0.804 0.000 0.278 98 A C 0.491 177.894 177.584 -0.301 0.000 1.107 98 A CA -0.123 51.678 52.037 -0.393 0.000 0.828 98 A CB -0.560 17.884 19.000 -0.926 0.000 1.111 98 A HN 0.524 nan 8.150 nan 0.000 0.498 99 T N -0.658 113.790 114.554 -0.177 0.000 2.904 99 T HA 0.358 5.190 4.350 0.804 0.000 0.290 99 T C -0.851 173.891 174.700 0.070 0.000 1.018 99 T CA 0.057 62.136 62.100 -0.034 0.000 1.075 99 T CB -0.004 68.851 68.868 -0.020 0.000 0.986 99 T HN 0.382 nan 8.240 nan 0.000 0.523 100 W N 5.224 126.551 121.300 0.044 0.000 2.351 100 W HA 0.386 5.528 4.660 0.803 0.000 0.311 100 W C -1.846 174.717 176.519 0.073 0.000 1.168 100 W CA -2.060 55.351 57.345 0.110 0.000 1.200 100 W CB 0.687 30.223 29.460 0.127 0.000 1.221 100 W HN 0.479 nan 8.180 nan 0.000 0.519 101 P HA 0.036 nan 4.420 nan 0.000 0.276 101 P C -0.565 176.823 177.300 0.147 0.000 1.235 101 P CA -0.305 62.875 63.100 0.134 0.000 0.772 101 P CB 1.021 32.752 31.700 0.052 0.000 0.871 102 L N 3.524 124.803 121.223 0.094 0.000 2.534 102 L HA 0.051 4.873 4.340 0.804 0.000 0.271 102 L C 1.774 178.665 176.870 0.036 0.000 1.178 102 L CA 0.581 55.465 54.840 0.073 0.000 0.907 102 L CB -0.080 42.007 42.059 0.046 0.000 1.164 102 L HN 0.529 nan 8.230 nan 0.000 0.482 103 A N 2.751 125.582 122.820 0.017 0.000 2.014 103 A HA 0.064 4.866 4.320 0.804 0.000 0.218 103 A C 1.078 178.659 177.584 -0.006 0.000 1.163 103 A CA 1.120 53.162 52.037 0.007 0.000 0.652 103 A CB -0.061 18.930 19.000 -0.014 0.000 0.808 103 A HN 0.603 nan 8.150 nan 0.000 0.449 104 S N -0.472 115.215 115.700 -0.021 0.000 2.575 104 S HA 0.415 5.367 4.470 0.804 0.000 0.278 104 S C -0.270 174.317 174.600 -0.023 0.000 1.139 104 S CA -0.344 57.844 58.200 -0.020 0.000 0.954 104 S CB 0.899 64.081 63.200 -0.030 0.000 1.054 104 S HN 0.452 nan 8.310 nan 0.000 0.483 105 N N 5.272 123.966 118.700 -0.009 0.000 2.204 105 N HA 0.146 5.368 4.740 0.804 0.000 0.219 105 N C 1.076 176.602 175.510 0.026 0.000 1.151 105 N CA -0.170 52.872 53.050 -0.012 0.000 0.867 105 N CB -0.343 38.131 38.487 -0.023 0.000 1.043 105 N HN 0.585 nan 8.380 nan 0.000 0.516 106 L N 0.258 121.497 121.223 0.027 0.000 2.046 106 L HA -0.083 4.739 4.340 0.804 0.000 0.208 106 L C 2.567 179.468 176.870 0.053 0.000 1.077 106 L CA 1.418 56.289 54.840 0.051 0.000 0.747 106 L CB -0.317 41.764 42.059 0.036 0.000 0.896 106 L HN 0.255 nan 8.230 nan 0.000 0.432 107 K N 0.783 121.194 120.400 0.019 0.000 2.062 107 K HA -0.206 4.597 4.320 0.804 0.000 0.205 107 K C 2.260 178.890 176.600 0.050 0.000 1.051 107 K CA 1.187 57.484 56.287 0.016 0.000 0.941 107 K CB 0.015 32.495 32.500 -0.034 0.000 0.719 107 K HN 0.063 nan 8.250 nan 0.000 0.440 108 K N 0.762 121.188 120.400 0.044 0.000 2.063 108 K HA -0.177 4.625 4.320 0.804 0.000 0.208 108 K C 2.123 178.870 176.600 0.245 0.000 1.048 108 K CA 1.470 57.807 56.287 0.082 0.000 0.928 108 K CB 0.019 32.490 32.500 -0.049 0.000 0.713 108 K HN 0.146 nan 8.250 nan 0.000 0.442 109 R N -0.248 120.402 120.500 0.250 0.000 2.075 109 R HA -0.053 4.769 4.340 0.804 0.000 0.232 109 R C 2.429 178.846 176.300 0.196 0.000 1.126 109 R CA 1.145 57.439 56.100 0.323 0.000 0.963 109 R CB -0.293 30.169 30.300 0.270 0.000 0.858 109 R HN 0.232 nan 8.270 nan 0.000 0.435 110 A N 1.505 124.407 122.820 0.136 0.000 1.902 110 A HA -0.184 4.618 4.320 0.804 0.000 0.217 110 A C 1.467 179.101 177.584 0.083 0.000 1.181 110 A CA 1.792 53.882 52.037 0.089 0.000 0.623 110 A CB -0.373 18.663 19.000 0.060 0.000 0.818 110 A HN 0.162 nan 8.150 nan 0.000 0.443 111 D N -0.059 120.399 120.400 0.096 0.000 2.264 111 D HA 0.037 5.159 4.640 0.804 0.000 0.208 111 D C 1.670 178.033 176.300 0.105 0.000 0.966 111 D CA 1.254 55.307 54.000 0.088 0.000 0.864 111 D CB -0.199 40.654 40.800 0.089 0.000 0.933 111 D HN 0.443 nan 8.370 nan 0.000 0.499 112 A N 0.110 123.017 122.820 0.145 0.000 2.307 112 A HA 0.030 4.832 4.320 0.804 0.000 0.218 112 A C 0.168 177.779 177.584 0.046 0.000 1.228 112 A CA -0.034 52.072 52.037 0.115 0.000 0.857 112 A CB 0.111 19.207 19.000 0.160 0.000 0.897 112 A HN -0.017 nan 8.150 nan 0.000 0.495 113 D N -0.565 119.866 120.400 0.051 0.000 2.746 113 D HA -0.127 4.995 4.640 0.804 0.000 0.236 113 D C -0.534 175.771 176.300 0.008 0.000 1.129 113 D CA 0.860 54.874 54.000 0.023 0.000 0.691 113 D CB -1.163 39.643 40.800 0.010 0.000 1.077 113 D HN 0.459 nan 8.370 nan 0.000 0.432 114 L N -0.126 121.119 121.223 0.037 0.000 2.331 114 L HA 0.689 5.511 4.340 0.804 0.000 0.275 114 L C 1.060 177.982 176.870 0.086 0.000 1.022 114 L CA -0.879 53.989 54.840 0.047 0.000 0.812 114 L CB 1.541 43.636 42.059 0.061 0.000 1.257 114 L HN 0.021 nan 8.230 nan 0.000 0.435 115 A N 0.704 123.577 122.820 0.088 0.000 2.406 115 A HA 0.224 5.026 4.320 0.804 0.000 0.243 115 A C 0.173 177.827 177.584 0.117 0.000 1.082 115 A CA -0.182 51.885 52.037 0.050 0.000 0.786 115 A CB 0.104 19.088 19.000 -0.027 0.000 1.029 115 A HN 0.852 nan 8.150 nan 0.000 0.495 116 D N -0.373 119.963 120.400 -0.106 0.000 2.525 116 D HA 0.443 5.565 4.640 0.804 0.000 0.229 116 D C 0.253 176.043 176.300 -0.850 0.000 1.202 116 D CA 0.482 54.374 54.000 -0.179 0.000 0.828 116 D CB -0.111 40.670 40.800 -0.032 0.000 1.008 116 D HN 0.953 nan 8.370 nan 0.000 0.493 117 G N -0.348 107.560 108.800 -1.486 0.000 2.325 117 G HA2 0.356 4.798 3.960 0.804 0.000 0.297 117 G HA3 0.356 4.798 3.960 0.804 0.000 0.297 117 G C -3.235 170.921 174.900 -1.239 0.000 1.448 117 G CA -1.142 42.899 45.100 -1.764 0.000 0.838 117 G HN -0.109 nan 8.290 nan 0.000 0.579 118 P HA 0.178 nan 4.420 nan 0.000 0.264 118 P C 1.112 178.390 177.300 -0.037 0.000 1.183 118 P CA -0.064 62.932 63.100 -0.174 0.000 0.763 118 P CB 1.412 33.098 31.700 -0.024 0.000 0.807 119 V N 1.987 121.991 119.914 0.149 0.000 3.129 119 V HA 0.043 4.646 4.120 0.804 0.000 0.259 119 V C 0.440 176.532 176.094 -0.003 0.000 1.116 119 V CA 1.798 64.098 62.300 0.000 0.000 1.127 119 V CB -0.395 31.384 31.823 -0.073 0.000 0.742 119 V HN 0.669 nan 8.190 nan 0.000 0.474 120 S N -1.381 114.342 115.700 0.039 0.000 2.618 120 S HA 0.511 5.463 4.470 0.804 0.000 0.277 120 S C 0.405 175.013 174.600 0.013 0.000 1.138 120 S CA 0.138 58.341 58.200 0.006 0.000 0.844 120 S CB 1.661 64.857 63.200 -0.005 0.000 1.127 120 S HN 0.176 nan 8.310 nan 0.000 0.474 121 E N 1.280 121.475 120.200 -0.008 0.000 2.153 121 E HA -0.116 4.716 4.350 0.804 0.000 0.194 121 E C 1.956 178.551 176.600 -0.009 0.000 0.988 121 E CA 1.570 57.966 56.400 -0.007 0.000 0.811 121 E CB -0.188 29.502 29.700 -0.018 0.000 0.746 121 E HN 0.654 nan 8.360 nan 0.000 0.466 122 R N 0.276 120.760 120.500 -0.027 0.000 2.082 122 R HA -0.176 4.647 4.340 0.804 0.000 0.234 122 R C 1.393 177.665 176.300 -0.045 0.000 1.136 122 R CA 2.095 58.162 56.100 -0.056 0.000 0.935 122 R CB -0.416 29.834 30.300 -0.084 0.000 0.842 122 R HN 0.162 nan 8.270 nan 0.000 0.430 123 D N 0.185 120.583 120.400 -0.002 0.000 2.123 123 D HA -0.188 4.935 4.640 0.804 0.000 0.196 123 D C 1.604 177.970 176.300 0.110 0.000 0.992 123 D CA 1.508 55.519 54.000 0.018 0.000 0.833 123 D CB -0.635 40.294 40.800 0.216 0.000 0.954 123 D HN 0.333 nan 8.370 nan 0.000 0.455 124 N N 0.146 118.937 118.700 0.151 0.000 2.149 124 N HA -0.109 5.114 4.740 0.804 0.000 0.188 124 N C 1.720 177.309 175.510 0.132 0.000 1.019 124 N CA 0.817 53.977 53.050 0.185 0.000 0.857 124 N CB -0.256 38.279 38.487 0.080 0.000 0.997 124 N HN 0.154 nan 8.380 nan 0.000 0.426 125 L N -0.180 121.070 121.223 0.046 0.000 2.093 125 L HA -0.089 4.733 4.340 0.804 0.000 0.208 125 L C 2.203 179.065 176.870 -0.012 0.000 1.085 125 L CA 0.698 55.546 54.840 0.013 0.000 0.755 125 L CB -0.368 41.679 42.059 -0.020 0.000 0.904 125 L HN 0.252 nan 8.230 nan 0.000 0.435 126 L N -1.462 119.713 121.223 -0.080 0.000 2.056 126 L HA -0.201 4.621 4.340 0.804 0.000 0.207 126 L C 2.496 179.281 176.870 -0.141 0.000 1.078 126 L CA 1.390 56.125 54.840 -0.175 0.000 0.749 126 L CB -0.535 41.345 42.059 -0.299 0.000 0.901 126 L HN 0.112 nan 8.230 nan 0.000 0.433 127 F N 0.093 120.047 119.950 0.006 0.000 2.134 127 F HA -0.199 4.816 4.527 0.812 0.000 0.299 127 F C 2.757 178.582 175.800 0.042 0.000 1.097 127 F CA 1.185 59.206 58.000 0.036 0.000 1.264 127 F CB -0.256 38.771 39.000 0.045 0.000 1.001 127 F HN -0.100 nan 8.300 nan 0.000 0.479 128 R N -0.011 120.620 120.500 0.217 0.000 2.115 128 R HA -0.077 4.745 4.340 0.804 0.000 0.230 128 R C 2.380 178.730 176.300 0.082 0.000 1.111 128 R CA 0.967 57.142 56.100 0.126 0.000 0.976 128 R CB -0.597 29.756 30.300 0.087 0.000 0.870 128 R HN 0.265 nan 8.270 nan 0.000 0.445 129 A N 1.144 123.985 122.820 0.036 0.000 1.969 129 A HA -0.073 4.730 4.320 0.804 0.000 0.218 129 A C 2.328 179.907 177.584 -0.008 0.000 1.169 129 A CA 1.531 53.559 52.037 -0.014 0.000 0.635 129 A CB -0.511 18.436 19.000 -0.088 0.000 0.810 129 A HN 0.377 nan 8.150 nan 0.000 0.445 130 A N -0.458 122.383 122.820 0.034 0.000 1.902 130 A HA -0.007 4.795 4.320 0.804 0.000 0.217 130 A C 2.196 179.978 177.584 0.331 0.000 1.181 130 A CA 1.743 53.903 52.037 0.204 0.000 0.623 130 A CB -0.924 18.296 19.000 0.365 0.000 0.818 130 A HN 0.385 nan 8.150 nan 0.000 0.443 131 V N -0.292 119.774 119.914 0.253 0.000 2.407 131 V HA -0.266 4.336 4.120 0.804 0.000 0.248 131 V C 2.644 178.896 176.094 0.263 0.000 1.055 131 V CA 2.353 64.793 62.300 0.234 0.000 1.049 131 V CB -0.780 31.058 31.823 0.024 0.000 0.662 131 V HN 0.531 nan 8.190 nan 0.000 0.455 132 R N -0.545 120.062 120.500 0.178 0.000 2.075 132 R HA -0.012 4.811 4.340 0.804 0.000 0.232 132 R C 2.238 178.672 176.300 0.223 0.000 1.126 132 R CA 1.271 57.474 56.100 0.171 0.000 0.963 132 R CB -0.240 30.123 30.300 0.105 0.000 0.858 132 R HN 0.430 nan 8.270 nan 0.000 0.435 133 L N -0.365 120.999 121.223 0.235 0.000 2.156 133 L HA -0.102 4.720 4.340 0.804 0.000 0.208 133 L C 2.303 179.413 176.870 0.399 0.000 1.095 133 L CA 1.114 56.149 54.840 0.325 0.000 0.770 133 L CB -0.261 41.958 42.059 0.267 0.000 0.914 133 L HN 0.265 nan 8.230 nan 0.000 0.439 134 M N -1.311 118.511 119.600 0.370 0.000 2.236 134 M HA -0.073 4.889 4.480 0.804 0.000 0.266 134 M C 1.087 177.358 176.300 -0.048 0.000 1.070 134 M CA 1.662 57.055 55.300 0.154 0.000 1.137 134 M CB 0.067 32.719 32.600 0.086 0.000 1.378 134 M HN 0.078 nan 8.290 nan 0.000 0.426 135 F N -0.536 119.457 119.950 0.071 0.000 2.639 135 F HA 0.152 5.161 4.527 0.802 0.000 0.302 135 F C 2.168 178.053 175.800 0.141 0.000 1.097 135 F CA -0.132 57.904 58.000 0.061 0.000 1.294 135 F CB -0.452 38.497 39.000 -0.085 0.000 1.027 135 F HN 0.104 nan 8.300 nan 0.000 0.550 136 S N -1.255 114.590 115.700 0.241 0.000 2.341 136 S HA -0.007 4.945 4.470 0.804 0.000 0.216 136 S C 0.566 175.214 174.600 0.079 0.000 1.034 136 S CA 0.720 59.021 58.200 0.168 0.000 0.964 136 S CB -0.125 63.166 63.200 0.152 0.000 0.882 136 S HN 0.165 nan 8.310 nan 0.000 0.469 137 D N 2.076 122.506 120.400 0.051 0.000 2.551 137 D HA 0.411 5.533 4.640 0.804 0.000 0.294 137 D C -0.841 175.445 176.300 -0.023 0.000 1.201 137 D CA -0.098 53.905 54.000 0.005 0.000 0.941 137 D CB 0.712 41.516 40.800 0.006 0.000 0.995 137 D HN 0.349 nan 8.370 nan 0.000 0.502 138 L N 0.854 122.054 121.223 -0.039 0.000 2.371 138 L HA 0.242 5.064 4.340 0.804 0.000 0.272 138 L C 0.835 177.668 176.870 -0.061 0.000 1.124 138 L CA -0.243 54.560 54.840 -0.061 0.000 0.816 138 L CB 0.974 42.990 42.059 -0.072 0.000 1.129 138 L HN -0.055 nan 8.230 nan 0.000 0.448 139 E N 3.062 123.228 120.200 -0.056 0.000 2.158 139 E HA 0.372 5.204 4.350 0.804 0.000 0.271 139 E C -2.331 174.248 176.600 -0.035 0.000 0.911 139 E CA -1.989 54.384 56.400 -0.044 0.000 0.767 139 E CB 1.645 31.321 29.700 -0.041 0.000 1.120 139 E HN 0.294 nan 8.360 nan 0.000 0.405 140 P HA 0.019 nan 4.420 nan 0.000 0.269 140 P C -0.430 176.872 177.300 0.004 0.000 1.209 140 P CA -0.155 62.946 63.100 0.001 0.000 0.776 140 P CB 0.589 32.295 31.700 0.011 0.000 0.876 141 V N -0.914 119.011 119.914 0.018 0.000 3.181 141 V HA 0.781 5.383 4.120 0.804 0.000 0.308 141 V C -2.743 173.370 176.094 0.031 0.000 1.214 141 V CA -2.753 59.554 62.300 0.012 0.000 1.053 141 V CB 1.823 33.646 31.823 -0.001 0.000 1.069 141 V HN 0.344 nan 8.190 nan 0.000 0.441 142 P HA 0.349 nan 4.420 nan 0.000 0.279 142 P C -0.647 176.687 177.300 0.056 0.000 1.252 142 P CA -0.496 62.627 63.100 0.039 0.000 0.811 142 P CB 1.451 33.166 31.700 0.024 0.000 1.035 143 L N 2.469 123.733 121.223 0.070 0.000 2.407 143 L HA 0.113 4.935 4.340 0.804 0.000 0.282 143 L C 0.526 177.465 176.870 0.115 0.000 1.110 143 L CA -0.230 54.665 54.840 0.091 0.000 0.863 143 L CB 0.025 42.130 42.059 0.077 0.000 1.207 143 L HN 0.202 nan 8.230 nan 0.000 0.454 144 K N 6.386 126.862 120.400 0.127 0.000 2.205 144 K HA 0.526 5.328 4.320 0.804 0.000 0.279 144 K C -0.559 176.133 176.600 0.153 0.000 1.027 144 K CA -0.330 56.044 56.287 0.144 0.000 0.932 144 K CB 1.951 34.566 32.500 0.192 0.000 1.032 144 K HN 0.536 nan 8.250 nan 0.000 0.466 145 I N 1.983 122.634 120.570 0.135 0.000 2.498 145 I HA 0.290 4.942 4.170 0.804 0.000 0.290 145 I C 0.145 176.282 176.117 0.032 0.000 1.032 145 I CA -1.242 60.114 61.300 0.095 0.000 1.073 145 I CB 2.049 40.112 38.000 0.104 0.000 1.251 145 I HN 0.349 nan 8.210 nan 0.000 0.426 146 R N 5.630 126.121 120.500 -0.015 0.000 2.401 146 R HA 0.171 4.993 4.340 0.804 0.000 0.299 146 R C -0.505 175.760 176.300 -0.058 0.000 1.064 146 R CA -0.022 56.053 56.100 -0.041 0.000 1.000 146 R CB 0.432 30.707 30.300 -0.043 0.000 0.973 146 R HN 0.426 nan 8.270 nan 0.000 0.438 147 K N 3.163 123.537 120.400 -0.043 0.000 2.448 147 K HA 0.145 4.947 4.320 0.804 0.000 0.278 147 K C 0.847 177.407 176.600 -0.067 0.000 1.009 147 K CA 1.064 57.327 56.287 -0.040 0.000 0.995 147 K CB 0.576 33.067 32.500 -0.015 0.000 0.917 147 K HN 0.934 nan 8.250 nan 0.000 0.481 148 G N 1.550 110.306 108.800 -0.072 0.000 2.205 148 G HA2 -0.330 4.113 3.960 0.804 0.000 0.261 148 G HA3 -0.330 4.113 3.960 0.804 0.000 0.261 148 G C 0.182 175.028 174.900 -0.089 0.000 0.980 148 G CA 0.552 45.605 45.100 -0.078 0.000 0.632 148 G HN 0.718 nan 8.290 nan 0.000 0.533 149 S N -0.321 115.314 115.700 -0.110 0.000 2.585 149 S HA 0.651 5.604 4.470 0.804 0.000 0.273 149 S C 0.424 174.937 174.600 -0.146 0.000 1.339 149 S CA 0.660 58.788 58.200 -0.120 0.000 1.028 149 S CB 1.909 65.022 63.200 -0.144 0.000 0.906 149 S HN 1.424 nan 8.310 nan 0.000 0.528 150 S N 0.619 116.252 115.700 -0.112 0.000 2.586 150 S HA 0.358 5.311 4.470 0.804 0.000 0.274 150 S C 1.307 175.775 174.600 -0.219 0.000 1.281 150 S CA -0.145 57.986 58.200 -0.114 0.000 1.035 150 S CB 0.527 63.719 63.200 -0.013 0.000 0.962 150 S HN 0.991 nan 8.310 nan 0.000 0.512 151 T N 1.427 115.841 114.554 -0.232 0.000 3.148 151 T HA 0.139 4.971 4.350 0.804 0.000 0.253 151 T C 1.349 175.892 174.700 -0.262 0.000 1.134 151 T CA 0.306 62.285 62.100 -0.201 0.000 1.051 151 T CB -1.564 67.294 68.868 -0.016 0.000 0.959 151 T HN 0.761 nan 8.240 nan 0.000 0.525 152 C N 0.074 119.069 119.300 -0.508 0.000 0.168 152 C HA -0.330 4.612 4.460 0.804 0.000 0.017 152 C C 1.826 175.934 174.990 -1.470 0.000 0.171 152 C CA -0.035 58.312 59.018 -1.119 0.000 0.499 152 C CB -1.919 25.552 27.740 -0.449 0.000 3.212 152 C HN 0.609 nan 8.230 nan 0.000 1.118 153 I N 2.424 122.411 120.570 -0.972 0.000 4.705 153 I HA -0.308 4.344 4.170 0.804 0.000 0.070 153 I C -0.243 175.606 176.117 -0.446 0.000 0.645 153 I CA 3.596 64.540 61.300 -0.592 0.000 0.527 153 I CB -1.450 36.362 38.000 -0.314 0.000 0.490 153 I HN 0.780 nan 8.210 nan 0.000 0.179 154 P HA -0.035 nan 4.420 nan 0.000 0.224 154 P C 1.494 178.622 177.300 -0.286 0.000 1.159 154 P CA 1.554 64.390 63.100 -0.440 0.000 0.824 154 P CB -0.042 31.253 31.700 -0.674 0.000 0.833 155 Y N -1.450 118.818 120.300 -0.054 0.000 2.397 155 Y HA 0.256 5.288 4.550 0.804 0.000 0.292 155 Y C 0.884 176.861 175.900 0.129 0.000 1.115 155 Y CA -0.304 57.819 58.100 0.039 0.000 1.208 155 Y CB -1.236 37.217 38.460 -0.012 0.000 1.046 155 Y HN -0.292 nan 8.280 nan 0.000 0.552 156 F N 0.552 120.558 119.950 0.093 0.000 3.039 156 F HA -0.252 4.757 4.527 0.804 0.000 0.287 156 F C 0.660 176.474 175.800 0.023 0.000 0.956 156 F CA 0.467 58.471 58.000 0.007 0.000 0.971 156 F CB -1.597 37.380 39.000 -0.038 0.000 0.943 156 F HN 0.003 nan 8.300 nan 0.000 0.766 157 S N -0.190 115.563 115.700 0.089 0.000 2.617 157 S HA 0.609 5.561 4.470 0.804 0.000 0.283 157 S C 0.868 175.456 174.600 -0.019 0.000 1.189 157 S CA -0.208 58.018 58.200 0.043 0.000 1.036 157 S CB 1.161 64.370 63.200 0.014 0.000 1.014 157 S HN 0.333 nan 8.310 nan 0.000 0.522 158 N N 1.443 120.128 118.700 -0.026 0.000 2.159 158 N HA 0.179 5.401 4.740 0.804 0.000 0.217 158 N C -1.177 174.295 175.510 -0.063 0.000 1.223 158 N CA -0.234 52.783 53.050 -0.054 0.000 0.896 158 N CB 0.381 38.847 38.487 -0.035 0.000 1.064 158 N HN 0.669 nan 8.380 nan 0.000 0.518 159 D N 0.542 120.909 120.400 -0.055 0.000 2.358 159 D HA 0.018 5.140 4.640 0.804 0.000 0.258 159 D C 1.295 177.550 176.300 -0.075 0.000 1.223 159 D CA -0.191 53.774 54.000 -0.059 0.000 0.886 159 D CB 0.666 41.434 40.800 -0.052 0.000 1.120 159 D HN -0.128 nan 8.370 nan 0.000 0.482 160 M N 4.025 123.575 119.600 -0.085 0.000 2.106 160 M HA -0.029 4.933 4.480 0.804 0.000 0.259 160 M C 1.890 178.122 176.300 -0.113 0.000 1.068 160 M CA 2.206 57.442 55.300 -0.108 0.000 1.100 160 M CB -0.889 31.626 32.600 -0.143 0.000 1.351 160 M HN 0.530 nan 8.290 nan 0.000 0.404 161 G N -1.974 106.760 108.800 -0.110 0.000 2.422 161 G HA2 -0.192 4.250 3.960 0.804 0.000 0.218 161 G HA3 -0.192 4.250 3.960 0.804 0.000 0.218 161 G C 1.428 176.292 174.900 -0.061 0.000 1.146 161 G CA 1.407 46.450 45.100 -0.094 0.000 0.769 161 G HN 0.519 nan 8.290 nan 0.000 0.547 162 T N 0.521 115.039 114.554 -0.060 0.000 2.904 162 T HA 0.008 4.840 4.350 0.804 0.000 0.267 162 T C 2.329 177.025 174.700 -0.007 0.000 1.059 162 T CA 1.044 63.111 62.100 -0.054 0.000 1.137 162 T CB -0.050 68.773 68.868 -0.075 0.000 0.879 162 T HN 0.265 nan 8.240 nan 0.000 0.467 163 K N 0.741 121.141 120.400 -0.002 0.000 2.025 163 K HA 0.016 4.819 4.320 0.804 0.000 0.207 163 K C 2.211 178.923 176.600 0.187 0.000 1.049 163 K CA 0.887 57.219 56.287 0.075 0.000 0.933 163 K CB -0.247 32.207 32.500 -0.077 0.000 0.714 163 K HN 0.230 nan 8.250 nan 0.000 0.438 164 I N 1.863 122.486 120.570 0.088 0.000 2.163 164 I HA -0.258 4.395 4.170 0.804 0.000 0.243 164 I C 2.183 178.342 176.117 0.071 0.000 1.085 164 I CA 1.595 62.951 61.300 0.093 0.000 1.347 164 I CB -1.009 37.008 38.000 0.029 0.000 1.044 164 I HN 0.267 nan 8.210 nan 0.000 0.408 165 E N 0.722 120.942 120.200 0.035 0.000 2.038 165 E HA -0.206 4.627 4.350 0.804 0.000 0.195 165 E C 2.383 178.997 176.600 0.022 0.000 1.000 165 E CA 1.207 57.614 56.400 0.012 0.000 0.803 165 E CB -0.090 29.599 29.700 -0.019 0.000 0.750 165 E HN 0.393 nan 8.360 nan 0.000 0.448 166 I N 0.668 121.273 120.570 0.059 0.000 2.163 166 I HA -0.327 4.325 4.170 0.804 0.000 0.243 166 I C 2.428 178.540 176.117 -0.008 0.000 1.085 166 I CA 1.135 62.478 61.300 0.071 0.000 1.347 166 I CB -0.252 37.869 38.000 0.202 0.000 1.044 166 I HN 0.151 nan 8.210 nan 0.000 0.408 167 A N 0.174 123.006 122.820 0.021 0.000 1.902 167 A HA -0.220 4.583 4.320 0.804 0.000 0.217 167 A C 2.198 179.713 177.584 -0.115 0.000 1.181 167 A CA 1.674 53.632 52.037 -0.132 0.000 0.623 167 A CB -0.542 18.472 19.000 0.023 0.000 0.818 167 A HN 0.461 nan 8.150 nan 0.000 0.443 168 E N -0.978 119.197 120.200 -0.041 0.000 2.072 168 E HA -0.191 4.642 4.350 0.804 0.000 0.191 168 E C 2.278 178.845 176.600 -0.055 0.000 0.985 168 E CA 1.141 57.515 56.400 -0.042 0.000 0.801 168 E CB -0.138 29.559 29.700 -0.005 0.000 0.750 168 E HN 0.478 nan 8.360 nan 0.000 0.452 169 R N 1.484 121.958 120.500 -0.042 0.000 2.081 169 R HA -0.098 4.725 4.340 0.804 0.000 0.235 169 R C 1.998 178.258 176.300 -0.067 0.000 1.131 169 R CA 1.679 57.758 56.100 -0.035 0.000 0.960 169 R CB -0.651 29.643 30.300 -0.009 0.000 0.856 169 R HN 0.137 nan 8.270 nan 0.000 0.436 170 A N 0.597 123.353 122.820 -0.106 0.000 1.902 170 A HA -0.066 4.736 4.320 0.804 0.000 0.217 170 A C 2.228 179.706 177.584 -0.178 0.000 1.181 170 A CA 1.478 53.428 52.037 -0.146 0.000 0.623 170 A CB -0.627 18.242 19.000 -0.218 0.000 0.818 170 A HN 0.362 nan 8.150 nan 0.000 0.443 171 L N -0.974 120.104 121.223 -0.242 0.000 2.265 171 L HA -0.176 4.646 4.340 0.804 0.000 0.215 171 L C 2.394 179.253 176.870 -0.018 0.000 1.117 171 L CA 1.406 56.051 54.840 -0.324 0.000 0.782 171 L CB -0.488 41.341 42.059 -0.382 0.000 0.914 171 L HN 0.504 nan 8.230 nan 0.000 0.441 172 E N -0.381 119.790 120.200 -0.048 0.000 2.190 172 E HA -0.074 4.759 4.350 0.804 0.000 0.191 172 E C 1.529 178.062 176.600 -0.111 0.000 0.978 172 E CA 0.427 56.807 56.400 -0.034 0.000 0.839 172 E CB 0.393 30.072 29.700 -0.036 0.000 0.787 172 E HN 0.154 nan 8.360 nan 0.000 0.473 173 K N -0.168 120.126 120.400 -0.176 0.000 2.358 173 K HA 0.249 5.051 4.320 0.804 0.000 0.197 173 K C 1.362 177.723 176.600 -0.399 0.000 1.025 173 K CA 0.216 56.282 56.287 -0.368 0.000 1.104 173 K CB 0.892 33.070 32.500 -0.536 0.000 0.855 173 K HN 0.016 nan 8.250 nan 0.000 0.531 174 A N 1.543 124.252 122.820 -0.185 0.000 1.908 174 A HA -0.225 4.578 4.320 0.804 0.000 0.218 174 A C 2.185 179.626 177.584 -0.239 0.000 1.181 174 A CA 1.905 53.922 52.037 -0.033 0.000 0.627 174 A CB -0.298 18.924 19.000 0.369 0.000 0.818 174 A HN 0.455 nan 8.150 nan 0.000 0.445 175 E N -0.352 119.372 120.200 -0.793 0.000 2.077 175 E HA -0.245 4.587 4.350 0.804 0.000 0.193 175 E C 2.016 178.203 176.600 -0.688 0.000 0.989 175 E CA 1.364 56.839 56.400 -1.543 0.000 0.800 175 E CB -0.183 28.466 29.700 -1.752 0.000 0.746 175 E HN 0.757 nan 8.360 nan 0.000 0.452 176 E N -0.387 119.533 120.200 -0.466 0.000 2.152 176 E HA -0.143 4.690 4.350 0.804 0.000 0.192 176 E C 1.827 178.332 176.600 -0.158 0.000 0.983 176 E CA 0.770 57.004 56.400 -0.276 0.000 0.818 176 E CB -0.043 29.504 29.700 -0.254 0.000 0.758 176 E HN 0.347 nan 8.360 nan 0.000 0.467 177 A N 0.843 123.548 122.820 -0.192 0.000 1.872 177 A HA -0.007 4.795 4.320 0.804 0.000 0.214 177 A C 2.412 180.011 177.584 0.026 0.000 1.187 177 A CA 1.419 53.448 52.037 -0.014 0.000 0.614 177 A CB -1.171 17.829 19.000 0.000 0.000 0.826 177 A HN 0.423 nan 8.150 nan 0.000 0.442 178 G N 0.389 109.244 108.800 0.093 0.000 2.491 178 G HA2 -0.339 4.103 3.960 0.804 0.000 0.218 178 G HA3 -0.339 4.103 3.960 0.804 0.000 0.218 178 G C 1.433 176.420 174.900 0.144 0.000 1.180 178 G CA 1.213 46.446 45.100 0.222 0.000 0.774 178 G HN 0.515 nan 8.290 nan 0.000 0.562 179 N N 0.481 119.251 118.700 0.117 0.000 2.149 179 N HA -0.048 5.174 4.740 0.804 0.000 0.188 179 N C 2.310 177.814 175.510 -0.011 0.000 1.019 179 N CA 0.745 53.835 53.050 0.067 0.000 0.857 179 N CB -0.371 38.131 38.487 0.026 0.000 0.997 179 N HN 0.315 nan 8.380 nan 0.000 0.426 180 L N 0.417 121.617 121.223 -0.039 0.000 2.083 180 L HA -0.097 4.725 4.340 0.804 0.000 0.209 180 L C 2.366 179.106 176.870 -0.218 0.000 1.083 180 L CA 0.950 55.739 54.840 -0.085 0.000 0.752 180 L CB -0.254 41.778 42.059 -0.045 0.000 0.899 180 L HN 0.168 nan 8.230 nan 0.000 0.433 181 M N -0.897 118.535 119.600 -0.279 0.000 2.175 181 M HA -0.197 4.766 4.480 0.804 0.000 0.264 181 M C 2.244 178.286 176.300 -0.429 0.000 1.063 181 M CA 1.570 56.479 55.300 -0.652 0.000 1.119 181 M CB -0.247 32.096 32.600 -0.429 0.000 1.377 181 M HN 0.221 nan 8.290 nan 0.000 0.415 182 L N -0.073 121.065 121.223 -0.142 0.000 2.187 182 L HA -0.237 4.586 4.340 0.804 0.000 0.213 182 L C 1.861 178.699 176.870 -0.054 0.000 1.100 182 L CA 1.280 56.097 54.840 -0.038 0.000 0.765 182 L CB -0.510 41.570 42.059 0.036 0.000 0.904 182 L HN 0.426 nan 8.230 nan 0.000 0.437 183 Q N -0.530 119.213 119.800 -0.095 0.000 2.365 183 Q HA 0.135 4.957 4.340 0.804 0.000 0.203 183 Q C 1.370 177.322 176.000 -0.079 0.000 0.929 183 Q CA 0.497 56.264 55.803 -0.061 0.000 0.948 183 Q CB 0.517 29.226 28.738 -0.048 0.000 1.043 183 Q HN 0.538 nan 8.270 nan 0.000 0.505 184 G N 1.824 110.523 108.800 -0.169 0.000 2.162 184 G HA2 -0.320 4.122 3.960 0.804 0.000 0.260 184 G HA3 -0.320 4.122 3.960 0.804 0.000 0.260 184 G C 0.159 174.973 174.900 -0.143 0.000 0.976 184 G CA 0.070 45.110 45.100 -0.099 0.000 0.655 184 G HN 0.279 nan 8.290 nan 0.000 0.533 185 K N 0.424 120.667 120.400 -0.261 0.000 2.518 185 K HA 0.468 5.270 4.320 0.804 0.000 0.244 185 K C 1.052 177.548 176.600 -0.174 0.000 1.232 185 K CA -0.647 55.558 56.287 -0.138 0.000 1.189 185 K CB -0.300 32.149 32.500 -0.085 0.000 1.737 185 K HN 0.299 nan 8.250 nan 0.000 0.333 186 F N 0.649 120.621 119.950 0.036 0.000 2.134 186 F HA -0.212 4.797 4.527 0.804 0.000 0.299 186 F C 1.788 177.620 175.800 0.054 0.000 1.097 186 F CA 1.117 59.141 58.000 0.039 0.000 1.264 186 F CB 0.030 39.040 39.000 0.016 0.000 1.001 186 F HN 0.337 nan 8.300 nan 0.000 0.479 187 D N 0.290 120.814 120.400 0.206 0.000 2.123 187 D HA -0.163 4.959 4.640 0.804 0.000 0.196 187 D C 1.746 178.118 176.300 0.119 0.000 0.992 187 D CA 1.460 55.551 54.000 0.151 0.000 0.833 187 D CB -0.515 40.342 40.800 0.095 0.000 0.954 187 D HN 0.229 nan 8.370 nan 0.000 0.455 188 D N 0.201 120.637 120.400 0.061 0.000 2.117 188 D HA -0.065 5.058 4.640 0.804 0.000 0.197 188 D C 2.010 178.314 176.300 0.007 0.000 0.987 188 D CA 1.358 55.365 54.000 0.012 0.000 0.829 188 D CB -0.335 40.461 40.800 -0.008 0.000 0.961 188 D HN 0.138 nan 8.370 nan 0.000 0.460 189 A N -0.143 122.707 122.820 0.050 0.000 1.902 189 A HA -0.224 4.578 4.320 0.804 0.000 0.217 189 A C 2.177 179.821 177.584 0.100 0.000 1.181 189 A CA 1.369 53.463 52.037 0.096 0.000 0.623 189 A CB -1.002 18.050 19.000 0.088 0.000 0.818 189 A HN 0.368 nan 8.150 nan 0.000 0.443 190 Y N 0.402 120.704 120.300 0.004 0.000 2.133 190 Y HA -0.202 4.831 4.550 0.804 0.000 0.287 190 Y C 2.533 178.386 175.900 -0.079 0.000 1.134 190 Y CA 2.201 60.281 58.100 -0.034 0.000 1.133 190 Y CB -0.665 37.772 38.460 -0.037 0.000 0.987 190 Y HN 0.427 nan 8.280 nan 0.000 0.502 191 Q N -0.109 119.601 119.800 -0.151 0.000 2.096 191 Q HA -0.201 4.622 4.340 0.804 0.000 0.204 191 Q C 2.262 178.084 176.000 -0.296 0.000 0.982 191 Q CA 2.236 57.894 55.803 -0.241 0.000 0.850 191 Q CB -0.254 28.439 28.738 -0.076 0.000 0.901 191 Q HN 0.519 nan 8.270 nan 0.000 0.422 192 L N -1.020 120.004 121.223 -0.332 0.000 2.209 192 L HA -0.068 4.755 4.340 0.804 0.000 0.207 192 L C 1.411 177.825 176.870 -0.761 0.000 1.094 192 L CA 0.668 55.166 54.840 -0.571 0.000 0.790 192 L CB -0.013 41.559 42.059 -0.811 0.000 0.932 192 L HN 0.336 nan 8.230 nan 0.000 0.447 193 H N -1.198 117.802 119.070 -0.116 0.000 3.233 193 H HA 0.190 5.229 4.556 0.804 0.000 0.263 193 H C 0.173 175.420 175.328 -0.136 0.000 1.168 193 H CA -0.082 55.907 56.048 -0.099 0.000 1.159 193 H CB 0.860 30.582 29.762 -0.066 0.000 1.593 193 H HN 0.095 nan 8.280 nan 0.000 0.580 194 Q N -0.011 119.661 119.800 -0.213 0.000 2.481 194 Q HA -0.170 4.652 4.340 0.804 0.000 0.258 194 Q C -0.257 175.700 176.000 -0.070 0.000 0.961 194 Q CA 0.775 56.373 55.803 -0.342 0.000 1.121 194 Q CB -1.932 26.639 28.738 -0.278 0.000 1.503 194 Q HN 0.462 nan 8.270 nan 0.000 0.544 195 M N 0.122 119.750 119.600 0.046 0.000 2.111 195 M HA 0.547 5.509 4.480 0.804 0.000 0.351 195 M C 0.873 177.278 176.300 0.174 0.000 1.214 195 M CA 0.436 55.788 55.300 0.085 0.000 1.120 195 M CB 0.903 33.548 32.600 0.076 0.000 1.443 195 M HN 0.394 nan 8.290 nan 0.000 0.429 196 G N 1.061 109.955 108.800 0.157 0.000 2.291 196 G HA2 0.379 4.822 3.960 0.804 0.000 0.249 196 G HA3 0.379 4.822 3.960 0.804 0.000 0.249 196 G C -0.193 174.674 174.900 -0.056 0.000 1.340 196 G CA 0.008 45.171 45.100 0.105 0.000 1.017 196 G HN 1.021 nan 8.290 nan 0.000 0.470 197 G N -0.510 108.055 108.800 -0.392 0.000 2.728 197 G HA2 0.439 4.881 3.960 0.804 0.000 0.269 197 G HA3 0.439 4.881 3.960 0.804 0.000 0.269 197 G C 0.704 175.395 174.900 -0.347 0.000 1.334 197 G CA 2.204 46.904 45.100 -0.666 0.000 0.974 197 G HN 2.927 nan 8.290 nan 0.000 0.550 198 A N -2.191 120.466 122.820 -0.272 0.000 2.586 198 A HA 0.717 5.519 4.320 0.804 0.000 0.290 198 A C -1.314 176.152 177.584 -0.196 0.000 1.086 198 A CA -0.252 51.690 52.037 -0.158 0.000 0.665 198 A CB 0.435 19.435 19.000 0.000 0.000 1.279 198 A HN 1.482 nan 8.150 nan 0.000 0.423 199 Y N -0.384 119.947 120.300 0.052 0.000 2.301 199 Y HA 0.476 5.509 4.550 0.804 0.000 0.325 199 Y C -0.235 175.777 175.900 0.186 0.000 1.203 199 Y CA 0.590 58.737 58.100 0.079 0.000 1.255 199 Y CB 1.121 39.597 38.460 0.027 0.000 1.232 199 Y HN 0.616 nan 8.280 nan 0.000 0.501 200 Y N 2.529 122.970 120.300 0.235 0.000 2.353 200 Y HA 0.520 5.553 4.550 0.804 0.000 0.340 200 Y C -0.938 175.077 175.900 0.191 0.000 0.972 200 Y CA -1.200 57.071 58.100 0.286 0.000 1.157 200 Y CB 0.503 39.173 38.460 0.351 0.000 1.157 200 Y HN 0.319 nan 8.280 nan 0.000 0.495 201 V N 8.188 127.927 119.914 -0.293 0.000 2.408 201 V HA 0.363 4.965 4.120 0.804 0.000 0.267 201 V C -0.273 175.430 176.094 -0.652 0.000 1.047 201 V CA -0.407 61.638 62.300 -0.426 0.000 0.937 201 V CB 0.574 32.124 31.823 -0.456 0.000 0.999 201 V HN 0.640 nan 8.190 nan 0.000 0.472 202 V N 3.332 122.942 119.914 -0.507 0.000 2.604 202 V HA 0.643 5.246 4.120 0.804 0.000 0.305 202 V C -1.121 174.693 176.094 -0.467 0.000 1.043 202 V CA -0.983 61.069 62.300 -0.414 0.000 0.888 202 V CB 1.637 33.408 31.823 -0.086 0.000 0.995 202 V HN 0.595 nan 8.190 nan 0.000 0.429 203 Y N 3.600 123.849 120.300 -0.085 0.000 2.336 203 Y HA 0.653 5.686 4.550 0.804 0.000 0.335 203 Y C 0.945 176.813 175.900 -0.053 0.000 1.046 203 Y CA -0.213 57.843 58.100 -0.073 0.000 1.198 203 Y CB 0.964 39.378 38.460 -0.078 0.000 1.182 203 Y HN 0.605 nan 8.280 nan 0.000 0.502 204 R N 1.424 121.969 120.500 0.075 0.000 2.856 204 R HA 0.857 5.679 4.340 0.804 0.000 0.258 204 R C -0.812 175.459 176.300 -0.048 0.000 1.066 204 R CA -1.288 54.811 56.100 -0.003 0.000 1.045 204 R CB 1.516 31.808 30.300 -0.012 0.000 1.178 204 R HN 0.712 nan 8.270 nan 0.000 0.499 205 A N 1.027 123.760 122.820 -0.146 0.000 2.305 205 A HA 0.238 5.040 4.320 0.804 0.000 0.322 205 A C -0.763 176.730 177.584 -0.153 0.000 1.187 205 A CA -0.408 51.540 52.037 -0.148 0.000 0.825 205 A CB 1.094 19.978 19.000 -0.193 0.000 1.164 205 A HN 0.645 nan 8.150 nan 0.000 0.498 206 Q N 2.122 121.847 119.800 -0.126 0.000 2.462 206 Q HA 0.287 5.109 4.340 0.804 0.000 0.247 206 Q C 0.807 176.717 176.000 -0.149 0.000 1.044 206 Q CA 0.092 55.819 55.803 -0.126 0.000 0.803 206 Q CB 0.770 29.441 28.738 -0.112 0.000 1.190 206 Q HN 0.950 nan 8.270 nan 0.000 0.507 207 S N 1.617 117.246 115.700 -0.120 0.000 2.419 207 S HA -0.094 4.858 4.470 0.804 0.000 0.235 207 S C 0.898 175.429 174.600 -0.114 0.000 1.019 207 S CA 1.229 59.378 58.200 -0.086 0.000 0.982 207 S CB -0.338 62.856 63.200 -0.010 0.000 0.789 207 S HN 0.692 nan 8.310 nan 0.000 0.490 208 T N -1.480 113.014 114.554 -0.101 0.000 2.907 208 T HA 0.712 5.545 4.350 0.804 0.000 0.292 208 T C -1.496 173.135 174.700 -0.115 0.000 1.043 208 T CA -0.768 61.301 62.100 -0.050 0.000 1.003 208 T CB 2.250 71.177 68.868 0.100 0.000 1.084 208 T HN 0.100 nan 8.240 nan 0.000 0.483 209 D N -0.134 120.261 120.400 -0.009 0.000 2.623 209 D HA 0.526 5.649 4.640 0.804 0.000 0.241 209 D C -0.582 175.800 176.300 0.136 0.000 1.241 209 D CA -0.363 53.641 54.000 0.008 0.000 0.788 209 D CB 2.010 42.750 40.800 -0.101 0.000 1.413 209 D HN 0.961 nan 8.370 nan 0.000 0.429 210 A N 1.982 124.837 122.820 0.059 0.000 2.567 210 A HA 0.450 5.252 4.320 0.804 0.000 0.240 210 A C 0.008 177.614 177.584 0.036 0.000 1.053 210 A CA 0.512 52.582 52.037 0.056 0.000 0.755 210 A CB -0.239 18.775 19.000 0.023 0.000 0.978 210 A HN 0.461 nan 8.150 nan 0.000 0.507 211 I N 1.481 122.100 120.570 0.081 0.000 2.769 211 I HA 0.529 5.182 4.170 0.804 0.000 0.298 211 I C 0.200 176.448 176.117 0.219 0.000 1.128 211 I CA -0.476 60.851 61.300 0.045 0.000 1.031 211 I CB 2.919 40.928 38.000 0.015 0.000 1.235 211 I HN 0.801 nan 8.210 nan 0.000 0.423 212 T N 2.203 116.858 114.554 0.169 0.000 2.906 212 T HA 0.663 5.496 4.350 0.804 0.000 0.295 212 T C -1.138 173.601 174.700 0.064 0.000 1.075 212 T CA -0.766 61.459 62.100 0.208 0.000 1.005 212 T CB 2.125 71.055 68.868 0.104 0.000 1.136 212 T HN 0.322 nan 8.240 nan 0.000 0.498 213 L N 2.191 123.391 121.223 -0.039 0.000 2.276 213 L HA 0.490 5.312 4.340 0.804 0.000 0.286 213 L C -0.494 176.254 176.870 -0.204 0.000 1.024 213 L CA -0.360 54.234 54.840 -0.409 0.000 0.826 213 L CB 0.844 42.527 42.059 -0.625 0.000 1.211 213 L HN 0.805 nan 8.230 nan 0.000 0.422 214 D N 7.591 127.876 120.400 -0.192 0.000 2.348 214 D HA 0.118 5.240 4.640 0.804 0.000 0.259 214 D C -1.531 174.700 176.300 -0.115 0.000 1.296 214 D CA -1.734 52.202 54.000 -0.106 0.000 0.931 214 D CB 1.366 42.122 40.800 -0.073 0.000 1.067 214 D HN 0.427 nan 8.370 nan 0.000 0.503 215 P HA -0.213 nan 4.420 nan 0.000 0.217 215 P C 1.037 178.303 177.300 -0.057 0.000 1.148 215 P CA 0.976 64.037 63.100 -0.066 0.000 0.828 215 P CB 0.496 32.175 31.700 -0.035 0.000 0.783 216 K N -0.052 120.320 120.400 -0.047 0.000 1.984 216 K HA -0.070 4.732 4.320 0.804 0.000 0.209 216 K C 2.259 178.833 176.600 -0.043 0.000 1.046 216 K CA 2.284 58.549 56.287 -0.037 0.000 0.934 216 K CB -1.522 30.962 32.500 -0.027 0.000 0.717 216 K HN 0.336 nan 8.250 nan 0.000 0.438 217 T N -2.910 111.613 114.554 -0.052 0.000 3.054 217 T HA 0.152 4.984 4.350 0.804 0.000 0.259 217 T C 1.484 176.139 174.700 -0.075 0.000 1.092 217 T CA 0.903 62.972 62.100 -0.051 0.000 1.121 217 T CB 0.084 68.929 68.868 -0.038 0.000 0.912 217 T HN 0.389 nan 8.240 nan 0.000 0.489 218 G N 1.476 110.203 108.800 -0.122 0.000 2.162 218 G HA2 -0.212 4.230 3.960 0.804 0.000 0.260 218 G HA3 -0.212 4.230 3.960 0.804 0.000 0.260 218 G C -0.018 174.741 174.900 -0.235 0.000 0.976 218 G CA 0.128 45.123 45.100 -0.174 0.000 0.655 218 G HN 0.586 nan 8.290 nan 0.000 0.533 219 K N -0.277 120.011 120.400 -0.187 0.000 2.118 219 K HA 0.707 5.509 4.320 0.804 0.000 0.254 219 K C 0.037 176.530 176.600 -0.178 0.000 0.961 219 K CA -0.875 55.347 56.287 -0.108 0.000 0.876 219 K CB 0.897 33.399 32.500 0.003 0.000 1.077 219 K HN 0.077 nan 8.250 nan 0.000 0.440 220 F N 0.142 120.092 119.950 0.001 0.000 2.371 220 F HA 0.350 5.359 4.527 0.803 0.000 0.329 220 F C 0.455 176.337 175.800 0.137 0.000 1.107 220 F CA -0.660 57.353 58.000 0.022 0.000 1.137 220 F CB 1.143 40.179 39.000 0.060 0.000 1.214 220 F HN -0.051 nan 8.300 nan 0.000 0.536 221 V N 1.545 121.573 119.914 0.190 0.000 2.577 221 V HA 0.324 4.926 4.120 0.804 0.000 0.303 221 V C -0.672 175.265 176.094 -0.261 0.000 1.042 221 V CA -1.024 61.282 62.300 0.010 0.000 0.872 221 V CB 1.807 33.634 31.823 0.007 0.000 0.998 221 V HN 0.826 nan 8.190 nan 0.000 0.423 222 S N 3.494 118.821 115.700 -0.621 0.000 2.586 222 S HA 0.522 5.475 4.470 0.804 0.000 0.274 222 S C -0.273 174.168 174.600 -0.266 0.000 1.281 222 S CA -0.731 57.066 58.200 -0.671 0.000 1.035 222 S CB 1.162 63.761 63.200 -1.002 0.000 0.962 222 S HN 0.741 nan 8.310 nan 0.000 0.512 223 K N 1.076 121.379 120.400 -0.161 0.000 2.368 223 K HA 0.070 4.872 4.320 0.804 0.000 0.282 223 K C -0.876 175.683 176.600 -0.069 0.000 1.035 223 K CA -0.304 55.934 56.287 -0.082 0.000 0.973 223 K CB 0.113 32.585 32.500 -0.047 0.000 0.957 223 K HN 0.548 nan 8.250 nan 0.000 0.474 224 D N 3.366 123.737 120.400 -0.048 0.000 2.424 224 D HA 0.088 5.210 4.640 0.804 0.000 0.244 224 D C -0.295 175.979 176.300 -0.044 0.000 1.134 224 D CA 0.348 54.327 54.000 -0.036 0.000 0.881 224 D CB 0.646 41.434 40.800 -0.019 0.000 1.191 224 D HN 0.295 nan 8.370 nan 0.000 0.445 225 R N 2.553 123.019 120.500 -0.057 0.000 2.393 225 R HA 0.324 5.146 4.340 0.804 0.000 0.315 225 R C -0.175 176.052 176.300 -0.122 0.000 0.952 225 R CA -0.785 55.270 56.100 -0.075 0.000 0.842 225 R CB 1.232 31.489 30.300 -0.071 0.000 1.163 225 R HN 0.374 nan 8.270 nan 0.000 0.450 226 M N 3.288 122.811 119.600 -0.128 0.000 2.211 226 M HA 0.258 5.221 4.480 0.804 0.000 0.356 226 M C 0.347 176.484 176.300 -0.271 0.000 1.216 226 M CA -0.525 54.657 55.300 -0.196 0.000 1.134 226 M CB 0.941 33.456 32.600 -0.142 0.000 1.564 226 M HN 0.358 nan 8.290 nan 0.000 0.463 227 V N 0.281 119.922 119.914 -0.455 0.000 2.962 227 V HA 1.003 5.606 4.120 0.804 0.000 0.313 227 V C -0.530 175.244 176.094 -0.534 0.000 1.099 227 V CA -1.238 60.787 62.300 -0.459 0.000 0.971 227 V CB 1.576 33.106 31.823 -0.489 0.000 1.028 227 V HN 0.919 nan 8.190 nan 0.000 0.430 228 A N 2.416 125.062 122.820 -0.290 0.000 2.305 228 A HA 0.799 5.601 4.320 0.804 0.000 0.322 228 A C -0.211 177.453 177.584 0.133 0.000 1.187 228 A CA -0.344 51.568 52.037 -0.207 0.000 0.825 228 A CB 0.542 19.435 19.000 -0.179 0.000 1.164 228 A HN 1.175 nan 8.150 nan 0.000 0.498 229 D N 0.781 121.330 120.400 0.247 0.000 2.433 229 D HA 0.175 5.298 4.640 0.804 0.000 0.255 229 D C 0.776 177.036 176.300 -0.066 0.000 1.226 229 D CA -0.575 53.568 54.000 0.237 0.000 1.015 229 D CB 0.074 41.022 40.800 0.247 0.000 1.091 229 D HN 0.376 nan 8.370 nan 0.000 0.527 230 F N 0.148 119.669 119.950 -0.714 0.000 2.095 230 F HA -0.206 4.803 4.527 0.804 0.000 0.298 230 F C 2.063 177.631 175.800 -0.387 0.000 1.104 230 F CA 1.607 59.008 58.000 -1.000 0.000 1.232 230 F CB 0.014 38.208 39.000 -1.343 0.000 0.987 230 F HN 0.190 nan 8.300 nan 0.000 0.475 231 E N -0.092 119.936 120.200 -0.286 0.000 2.038 231 E HA -0.299 4.533 4.350 0.804 0.000 0.195 231 E C 2.108 178.575 176.600 -0.221 0.000 1.000 231 E CA 1.845 58.075 56.400 -0.284 0.000 0.803 231 E CB -1.155 28.508 29.700 -0.062 0.000 0.750 231 E HN 0.666 nan 8.360 nan 0.000 0.448 232 Y N 0.910 121.104 120.300 -0.177 0.000 2.128 232 Y HA -0.297 4.735 4.550 0.803 0.000 0.284 232 Y C 2.270 178.084 175.900 -0.143 0.000 1.154 232 Y CA 2.071 60.106 58.100 -0.109 0.000 1.149 232 Y CB -0.191 38.259 38.460 -0.016 0.000 0.976 232 Y HN 0.071 nan 8.280 nan 0.000 0.505 233 A N -0.529 122.347 122.820 0.093 0.000 1.930 233 A HA -0.159 4.643 4.320 0.804 0.000 0.217 233 A C 2.137 179.635 177.584 -0.144 0.000 1.175 233 A CA 2.040 54.102 52.037 0.042 0.000 0.627 233 A CB -1.402 17.681 19.000 0.139 0.000 0.815 233 A HN 0.509 nan 8.150 nan 0.000 0.443 234 V N -2.428 117.251 119.914 -0.392 0.000 3.306 234 V HA 0.013 4.616 4.120 0.804 0.000 0.264 234 V C 1.623 177.550 176.094 -0.278 0.000 1.149 234 V CA 1.787 63.859 62.300 -0.381 0.000 1.143 234 V CB -1.169 30.268 31.823 -0.644 0.000 0.767 234 V HN 0.642 nan 8.190 nan 0.000 0.476 235 T N -3.123 111.264 114.554 -0.277 0.000 3.214 235 T HA 0.478 5.310 4.350 0.804 0.000 0.264 235 T C 1.495 176.050 174.700 -0.241 0.000 1.012 235 T CA 0.465 62.424 62.100 -0.234 0.000 0.901 235 T CB -0.045 68.683 68.868 -0.234 0.000 1.070 235 T HN 1.425 nan 8.240 nan 0.000 0.561 236 G N 0.774 109.443 108.800 -0.218 0.000 2.212 236 G HA2 0.028 4.470 3.960 0.804 0.000 0.267 236 G HA3 0.028 4.470 3.960 0.804 0.000 0.267 236 G C 1.129 175.806 174.900 -0.372 0.000 1.002 236 G CA 0.482 45.460 45.100 -0.203 0.000 0.729 236 G HN 1.879 nan 8.290 nan 0.000 0.517 237 G N -1.410 106.936 108.800 -0.757 0.000 2.176 237 G HA2 -0.268 4.174 3.960 0.804 0.000 0.232 237 G HA3 -0.268 4.174 3.960 0.804 0.000 0.232 237 G C 0.933 175.386 174.900 -0.746 0.000 0.986 237 G CA 1.095 45.304 45.100 -1.484 0.000 0.643 237 G HN 0.703 nan 8.290 nan 0.000 0.522 238 E N 0.099 120.044 120.200 -0.424 0.000 2.110 238 E HA -0.053 4.780 4.350 0.804 0.000 0.193 238 E C 1.392 177.875 176.600 -0.195 0.000 0.988 238 E CA 1.232 57.488 56.400 -0.240 0.000 0.804 238 E CB 0.102 29.700 29.700 -0.171 0.000 0.745 238 E HN 0.738 nan 8.360 nan 0.000 0.458 239 Q N -1.858 117.810 119.800 -0.220 0.000 2.892 239 Q HA 0.502 5.324 4.340 0.804 0.000 0.307 239 Q C -0.054 175.912 176.000 -0.058 0.000 1.039 239 Q CA -0.219 55.517 55.803 -0.111 0.000 0.792 239 Q CB 2.354 31.037 28.738 -0.093 0.000 1.504 239 Q HN 0.171 nan 8.270 nan 0.000 0.487 240 G N 0.517 109.331 108.800 0.024 0.000 2.698 240 G HA2 -0.164 4.278 3.960 0.804 0.000 0.233 240 G HA3 -0.164 4.278 3.960 0.804 0.000 0.233 240 G C -0.688 174.365 174.900 0.255 0.000 1.352 240 G CA -0.219 44.949 45.100 0.114 0.000 0.879 240 G HN 0.985 nan 8.290 nan 0.000 0.567 241 S N -1.642 114.237 115.700 0.298 0.000 2.627 241 S HA 0.740 5.692 4.470 0.804 0.000 0.283 241 S C -1.080 173.616 174.600 0.159 0.000 1.127 241 S CA -0.592 57.782 58.200 0.290 0.000 0.863 241 S CB 2.345 65.635 63.200 0.149 0.000 1.121 241 S HN 1.717 nan 8.310 nan 0.000 0.479 242 L N 2.475 123.711 121.223 0.022 0.000 2.305 242 L HA 0.849 5.671 4.340 0.804 0.000 0.284 242 L C -1.445 175.502 176.870 0.127 0.000 1.013 242 L CA -0.431 54.283 54.840 -0.210 0.000 0.819 242 L CB 0.514 42.340 42.059 -0.387 0.000 1.227 242 L HN 0.788 nan 8.230 nan 0.000 0.417 243 F N 3.096 122.972 119.950 -0.123 0.000 2.685 243 F HA 0.893 5.903 4.527 0.804 0.000 0.315 243 F C -0.440 175.331 175.800 -0.048 0.000 1.126 243 F CA -1.381 56.583 58.000 -0.061 0.000 0.950 243 F CB 0.713 39.692 39.000 -0.036 0.000 1.360 243 F HN 0.531 nan 8.300 nan 0.000 0.469 244 A N 1.562 124.423 122.820 0.069 0.000 2.451 244 A HA 0.653 5.455 4.320 0.804 0.000 0.266 244 A C 0.379 177.949 177.584 -0.023 0.000 1.119 244 A CA 0.056 52.080 52.037 -0.021 0.000 0.786 244 A CB -0.780 18.246 19.000 0.044 0.000 1.061 244 A HN 1.499 nan 8.150 nan 0.000 0.503 245 A N 2.705 125.440 122.820 -0.143 0.000 2.406 245 A HA 0.486 5.288 4.320 0.804 0.000 0.243 245 A C 0.856 178.458 177.584 0.030 0.000 1.082 245 A CA 0.430 52.413 52.037 -0.090 0.000 0.786 245 A CB 0.107 19.035 19.000 -0.120 0.000 1.029 245 A HN 1.352 nan 8.150 nan 0.000 0.495 246 S N -0.193 115.550 115.700 0.072 0.000 2.438 246 S HA 0.317 5.269 4.470 0.804 0.000 0.293 246 S C 0.585 175.253 174.600 0.114 0.000 1.141 246 S CA -0.591 57.667 58.200 0.097 0.000 1.080 246 S CB 0.276 63.537 63.200 0.101 0.000 0.978 246 S HN 0.592 nan 8.310 nan 0.000 0.479 247 K N 2.560 123.049 120.400 0.149 0.000 2.358 247 K HA 0.086 4.889 4.320 0.804 0.000 0.197 247 K C -0.193 176.595 176.600 0.313 0.000 1.025 247 K CA -0.176 56.246 56.287 0.225 0.000 1.104 247 K CB 0.143 32.768 32.500 0.208 0.000 0.855 247 K HN 0.591 nan 8.250 nan 0.000 0.531 248 D N 1.003 121.546 120.400 0.237 0.000 2.434 248 D HA -0.015 5.108 4.640 0.804 0.000 0.252 248 D C 0.550 176.914 176.300 0.106 0.000 1.185 248 D CA 0.028 54.137 54.000 0.181 0.000 0.886 248 D CB 1.145 42.018 40.800 0.122 0.000 1.148 248 D HN 0.190 nan 8.370 nan 0.000 0.483 249 A N 3.107 125.948 122.820 0.034 0.000 2.275 249 A HA 0.039 4.841 4.320 0.804 0.000 0.212 249 A C 2.159 179.711 177.584 -0.053 0.000 1.201 249 A CA 0.134 52.166 52.037 -0.009 0.000 0.843 249 A CB -0.051 18.927 19.000 -0.037 0.000 0.873 249 A HN 0.538 nan 8.150 nan 0.000 0.492 250 S N 1.011 116.683 115.700 -0.047 0.000 2.380 250 S HA -0.282 4.670 4.470 0.804 0.000 0.229 250 S C 2.138 176.707 174.600 -0.051 0.000 1.043 250 S CA 1.857 60.025 58.200 -0.053 0.000 1.038 250 S CB -0.420 62.759 63.200 -0.035 0.000 0.872 250 S HN 0.882 nan 8.310 nan 0.000 0.456 251 R N 1.570 122.050 120.500 -0.033 0.000 2.139 251 R HA -0.101 4.722 4.340 0.804 0.000 0.243 251 R C 1.933 178.193 176.300 -0.066 0.000 1.145 251 R CA 1.526 57.601 56.100 -0.042 0.000 0.976 251 R CB -0.995 29.299 30.300 -0.010 0.000 0.866 251 R HN 0.352 nan 8.270 nan 0.000 0.449 252 L N 0.688 121.874 121.223 -0.063 0.000 2.187 252 L HA -0.145 4.677 4.340 0.804 0.000 0.213 252 L C 2.631 179.479 176.870 -0.037 0.000 1.100 252 L CA 1.443 56.251 54.840 -0.054 0.000 0.765 252 L CB -0.509 41.387 42.059 -0.272 0.000 0.904 252 L HN 0.210 nan 8.230 nan 0.000 0.437 253 K N 0.959 121.319 120.400 -0.067 0.000 1.991 253 K HA -0.202 4.600 4.320 0.804 0.000 0.207 253 K C 1.997 178.562 176.600 -0.058 0.000 1.045 253 K CA 1.701 57.955 56.287 -0.054 0.000 0.937 253 K CB -0.291 32.173 32.500 -0.060 0.000 0.720 253 K HN 0.243 nan 8.250 nan 0.000 0.438 254 E N 0.097 120.252 120.200 -0.075 0.000 2.049 254 E HA -0.283 4.549 4.350 0.804 0.000 0.198 254 E C 2.023 178.540 176.600 -0.137 0.000 1.007 254 E CA 1.752 58.100 56.400 -0.086 0.000 0.809 254 E CB -0.040 29.613 29.700 -0.078 0.000 0.749 254 E HN 0.484 nan 8.360 nan 0.000 0.450 255 Q N -1.233 118.425 119.800 -0.236 0.000 2.049 255 Q HA -0.128 4.695 4.340 0.804 0.000 0.198 255 Q C 1.058 176.743 176.000 -0.525 0.000 0.971 255 Q CA 1.418 56.934 55.803 -0.479 0.000 0.833 255 Q CB 0.104 28.320 28.738 -0.871 0.000 0.896 255 Q HN 0.443 nan 8.270 nan 0.000 0.434 256 Y N -1.511 118.792 120.300 0.004 0.000 2.557 256 Y HA 0.378 5.410 4.550 0.804 0.000 0.247 256 Y C 1.118 177.018 175.900 -0.001 0.000 1.164 256 Y CA -0.040 58.074 58.100 0.023 0.000 1.218 256 Y CB 0.852 39.348 38.460 0.060 0.000 1.210 256 Y HN 0.158 nan 8.280 nan 0.000 0.529 257 G N 1.343 110.186 108.800 0.071 0.000 2.203 257 G HA2 -0.331 4.112 3.960 0.804 0.000 0.263 257 G HA3 -0.331 4.112 3.960 0.804 0.000 0.263 257 G C 0.082 175.002 174.900 0.032 0.000 1.012 257 G CA 0.275 45.397 45.100 0.036 0.000 0.749 257 G HN 0.393 nan 8.290 nan 0.000 0.512 258 I N 0.585 121.177 120.570 0.036 0.000 2.395 258 I HA 0.228 4.880 4.170 0.804 0.000 0.289 258 I C 0.578 176.659 176.117 -0.059 0.000 1.023 258 I CA -0.519 60.774 61.300 -0.012 0.000 1.350 258 I CB 1.033 39.000 38.000 -0.055 0.000 1.409 258 I HN 0.195 nan 8.210 nan 0.000 0.507 259 D N 5.789 126.147 120.400 -0.071 0.000 2.383 259 D HA 0.193 5.315 4.640 0.804 0.000 0.252 259 D C -0.843 175.372 176.300 -0.141 0.000 1.166 259 D CA -0.106 53.836 54.000 -0.096 0.000 0.879 259 D CB 0.920 41.661 40.800 -0.098 0.000 1.164 259 D HN 0.113 nan 8.370 nan 0.000 0.462 260 V N 6.842 126.672 119.914 -0.140 0.000 2.311 260 V HA 0.343 4.946 4.120 0.804 0.000 0.275 260 V C -1.641 174.345 176.094 -0.181 0.000 1.022 260 V CA -1.383 60.815 62.300 -0.170 0.000 0.830 260 V CB 0.743 32.484 31.823 -0.137 0.000 1.012 260 V HN 0.653 nan 8.190 nan 0.000 0.452 261 P HA 0.139 nan 4.420 nan 0.000 0.272 261 P C -0.419 176.841 177.300 -0.066 0.000 1.240 261 P CA -0.305 62.663 63.100 -0.220 0.000 0.791 261 P CB 0.728 32.172 31.700 -0.427 0.000 0.978 262 D N -0.353 120.040 120.400 -0.011 0.000 2.455 262 D HA 0.295 5.418 4.640 0.804 0.000 0.241 262 D C 1.239 177.537 176.300 -0.003 0.000 1.138 262 D CA 1.466 55.471 54.000 0.009 0.000 0.877 262 D CB -0.299 40.535 40.800 0.058 0.000 1.187 262 D HN 0.698 nan 8.370 nan 0.000 0.451 263 G N 2.357 111.041 108.800 -0.194 0.000 2.147 263 G HA2 -0.249 4.194 3.960 0.804 0.000 0.244 263 G HA3 -0.249 4.194 3.960 0.804 0.000 0.244 263 G C -0.162 174.226 174.900 -0.854 0.000 1.005 263 G CA -0.181 44.589 45.100 -0.550 0.000 0.713 263 G HN 0.370 nan 8.290 nan 0.000 0.515 264 F N -0.456 119.003 119.950 -0.818 0.000 2.482 264 F HA 0.817 5.826 4.527 0.805 0.000 0.331 264 F C 0.277 175.629 175.800 -0.747 0.000 1.115 264 F CA -1.169 56.490 58.000 -0.567 0.000 0.955 264 F CB 1.370 40.181 39.000 -0.316 0.000 1.136 264 F HN -0.009 nan 8.300 nan 0.000 0.452 265 F N 0.557 120.475 119.950 -0.053 0.000 2.654 265 F HA 0.601 5.610 4.527 0.805 0.000 0.334 265 F C -0.042 175.887 175.800 0.215 0.000 1.078 265 F CA -1.233 56.801 58.000 0.058 0.000 0.986 265 F CB 0.709 39.722 39.000 0.021 0.000 1.362 265 F HN 0.263 nan 8.300 nan 0.000 0.498 266 C N 0.824 120.383 119.300 0.430 0.000 2.595 266 C HA 0.285 5.227 4.460 0.804 0.000 0.384 266 C C 0.368 175.579 174.990 0.368 0.000 1.289 266 C CA -0.776 58.462 59.018 0.367 0.000 2.372 266 C CB -0.031 27.884 27.740 0.291 0.000 2.593 266 C HN 0.671 nan 8.230 nan 0.000 0.639 267 E N 0.662 121.006 120.200 0.240 0.000 2.373 267 E HA 0.183 5.015 4.350 0.804 0.000 0.263 267 E C 0.143 176.743 176.600 -0.001 0.000 1.073 267 E CA -0.254 56.169 56.400 0.038 0.000 0.894 267 E CB 0.560 30.261 29.700 0.002 0.000 1.008 267 E HN 0.478 nan 8.360 nan 0.000 0.420 268 R N 2.343 122.780 120.500 -0.105 0.000 2.491 268 R HA 0.089 4.911 4.340 0.804 0.000 0.283 268 R C -0.473 175.794 176.300 -0.056 0.000 1.072 268 R CA -0.014 56.041 56.100 -0.075 0.000 1.048 268 R CB 0.543 30.777 30.300 -0.111 0.000 0.983 268 R HN 0.411 nan 8.270 nan 0.000 0.450 269 R N 4.272 124.752 120.500 -0.032 0.000 2.437 269 R HA 0.330 5.152 4.340 0.804 0.000 0.310 269 R C -0.503 175.812 176.300 0.025 0.000 0.955 269 R CA -0.861 55.237 56.100 -0.004 0.000 0.851 269 R CB 2.061 32.362 30.300 0.003 0.000 1.161 269 R HN 0.643 nan 8.270 nan 0.000 0.446 270 R N 0.235 120.760 120.500 0.041 0.000 2.668 270 R HA 0.285 5.107 4.340 0.804 0.000 0.279 270 R C 0.119 176.472 176.300 0.090 0.000 0.976 270 R CA -0.497 55.628 56.100 0.043 0.000 0.978 270 R CB 1.708 32.000 30.300 -0.014 0.000 1.133 270 R HN 0.602 nan 8.270 nan 0.000 0.484 271 T N -0.958 113.622 114.554 0.043 0.000 2.909 271 T HA 0.657 5.490 4.350 0.804 0.000 0.289 271 T C -0.202 174.413 174.700 -0.142 0.000 1.005 271 T CA -0.756 61.279 62.100 -0.108 0.000 1.084 271 T CB 1.572 70.358 68.868 -0.137 0.000 0.975 271 T HN 0.588 nan 8.240 nan 0.000 0.509 272 A N 4.468 127.161 122.820 -0.211 0.000 2.393 272 A HA 0.723 5.525 4.320 0.804 0.000 0.306 272 A C -0.187 177.318 177.584 -0.132 0.000 1.050 272 A CA -1.089 50.873 52.037 -0.125 0.000 0.724 272 A CB 1.316 20.282 19.000 -0.057 0.000 1.248 272 A HN 0.882 nan 8.150 nan 0.000 0.424 273 M N 2.750 122.300 119.600 -0.084 0.000 2.114 273 M HA 0.383 5.345 4.480 0.804 0.000 0.332 273 M C 0.382 176.773 176.300 0.151 0.000 1.014 273 M CA -0.292 55.003 55.300 -0.007 0.000 0.956 273 M CB 1.397 33.890 32.600 -0.179 0.000 1.551 273 M HN 0.833 nan 8.290 nan 0.000 0.427 274 G N 2.103 111.059 108.800 0.259 0.000 2.333 274 G HA2 0.533 4.975 3.960 0.804 0.000 0.290 274 G HA3 0.533 4.975 3.960 0.804 0.000 0.290 274 G C 0.226 175.320 174.900 0.323 0.000 1.150 274 G CA -0.383 44.879 45.100 0.269 0.000 0.895 274 G HN 0.861 nan 8.290 nan 0.000 0.444 275 G N 2.442 111.419 108.800 0.296 0.000 2.507 275 G HA2 0.587 5.030 3.960 0.804 0.000 0.271 275 G HA3 0.587 5.030 3.960 0.804 0.000 0.271 275 G C -2.316 172.565 174.900 -0.031 0.000 1.189 275 G CA -1.172 44.005 45.100 0.129 0.000 0.859 275 G HN 0.497 nan 8.290 nan 0.000 0.542 276 P HA 0.041 nan 4.420 nan 0.000 0.275 276 P C 0.395 177.692 177.300 -0.006 0.000 1.276 276 P CA -0.415 62.609 63.100 -0.127 0.000 0.782 276 P CB 0.923 32.522 31.700 -0.168 0.000 0.851 277 F N 5.114 124.994 119.950 -0.116 0.000 2.154 277 F HA -0.252 4.757 4.527 0.803 0.000 0.301 277 F C 2.239 178.021 175.800 -0.032 0.000 1.087 277 F CA 1.995 59.960 58.000 -0.058 0.000 1.274 277 F CB -0.869 38.102 39.000 -0.049 0.000 1.009 277 F HN 0.383 nan 8.300 nan 0.000 0.485 278 A N -0.414 122.312 122.820 -0.156 0.000 1.972 278 A HA -0.146 4.657 4.320 0.804 0.000 0.219 278 A C 2.089 179.556 177.584 -0.194 0.000 1.169 278 A CA 1.658 53.563 52.037 -0.220 0.000 0.635 278 A CB -1.004 17.951 19.000 -0.076 0.000 0.810 278 A HN 0.452 nan 8.150 nan 0.000 0.446 279 L N 0.024 121.171 121.223 -0.126 0.000 2.162 279 L HA 0.029 4.851 4.340 0.804 0.000 0.205 279 L C 1.652 178.472 176.870 -0.084 0.000 1.086 279 L CA 2.008 56.797 54.840 -0.084 0.000 0.778 279 L CB -0.750 41.264 42.059 -0.075 0.000 0.928 279 L HN 0.438 nan 8.230 nan 0.000 0.446 280 N N -0.675 117.972 118.700 -0.089 0.000 2.331 280 N HA -0.057 5.166 4.740 0.804 0.000 0.180 280 N C 1.835 177.307 175.510 -0.063 0.000 1.019 280 N CA 0.729 53.773 53.050 -0.009 0.000 0.881 280 N CB -0.088 38.471 38.487 0.120 0.000 0.972 280 N HN 0.468 nan 8.380 nan 0.000 0.435 281 A N 2.364 124.985 122.820 -0.332 0.000 1.858 281 A HA -0.078 4.725 4.320 0.804 0.000 0.216 281 A C -0.294 177.199 177.584 -0.151 0.000 1.190 281 A CA 1.212 53.032 52.037 -0.362 0.000 0.617 281 A CB -1.443 17.141 19.000 -0.693 0.000 0.827 281 A HN 0.189 nan 8.150 nan 0.000 0.443 282 P HA -0.109 nan 4.420 nan 0.000 0.222 282 P C 1.337 178.942 177.300 0.509 0.000 1.147 282 P CA 0.974 64.109 63.100 0.057 0.000 0.790 282 P CB -0.144 31.686 31.700 0.216 0.000 0.780 283 I N -1.310 119.465 120.570 0.342 0.000 2.333 283 I HA -0.114 4.539 4.170 0.804 0.000 0.246 283 I C 2.590 178.973 176.117 0.443 0.000 1.106 283 I CA 1.138 62.743 61.300 0.507 0.000 1.411 283 I CB -0.559 37.629 38.000 0.313 0.000 1.082 283 I HN -0.188 nan 8.210 nan 0.000 0.420 284 M N 0.432 120.192 119.600 0.266 0.000 2.279 284 M HA -0.135 4.827 4.480 0.804 0.000 0.264 284 M C 2.407 178.830 176.300 0.206 0.000 1.062 284 M CA 1.648 57.078 55.300 0.216 0.000 1.099 284 M CB -0.415 32.291 32.600 0.175 0.000 1.394 284 M HN 0.281 nan 8.290 nan 0.000 0.426 285 A N -0.397 122.556 122.820 0.221 0.000 1.972 285 A HA -0.075 4.727 4.320 0.804 0.000 0.219 285 A C 2.186 179.921 177.584 0.252 0.000 1.169 285 A CA 1.567 53.738 52.037 0.223 0.000 0.635 285 A CB -0.648 18.476 19.000 0.206 0.000 0.810 285 A HN 0.322 nan 8.150 nan 0.000 0.446 286 V N -0.953 119.145 119.914 0.307 0.000 2.575 286 V HA -0.012 4.591 4.120 0.804 0.000 0.242 286 V C 2.942 179.088 176.094 0.087 0.000 1.045 286 V CA 1.224 63.613 62.300 0.148 0.000 1.065 286 V CB -0.921 30.944 31.823 0.070 0.000 0.717 286 V HN 0.552 nan 8.190 nan 0.000 0.467 287 A N -0.006 122.921 122.820 0.178 0.000 1.892 287 A HA -0.330 4.472 4.320 0.804 0.000 0.218 287 A C 2.163 179.737 177.584 -0.017 0.000 1.188 287 A CA 2.461 54.546 52.037 0.081 0.000 0.631 287 A CB -0.586 18.516 19.000 0.171 0.000 0.822 287 A HN 0.507 nan 8.150 nan 0.000 0.447 288 Q N 0.107 119.923 119.800 0.027 0.000 2.050 288 Q HA -0.079 4.744 4.340 0.804 0.000 0.202 288 Q C -0.681 175.278 176.000 -0.069 0.000 0.980 288 Q CA 2.307 58.105 55.803 -0.008 0.000 0.840 288 Q CB -1.349 27.410 28.738 0.035 0.000 0.898 288 Q HN 0.447 nan 8.270 nan 0.000 0.424 289 P HA -0.136 nan 4.420 nan 0.000 0.216 289 P C 1.253 178.450 177.300 -0.172 0.000 1.150 289 P CA 1.188 64.233 63.100 -0.091 0.000 0.837 289 P CB -0.030 31.630 31.700 -0.066 0.000 0.786 290 V N -0.160 119.608 119.914 -0.243 0.000 2.358 290 V HA -0.233 4.370 4.120 0.804 0.000 0.246 290 V C 2.475 178.331 176.094 -0.397 0.000 1.047 290 V CA 1.740 63.811 62.300 -0.382 0.000 1.035 290 V CB -0.927 30.527 31.823 -0.614 0.000 0.658 290 V HN 0.092 nan 8.190 nan 0.000 0.452 291 R N 0.284 120.549 120.500 -0.391 0.000 2.081 291 R HA -0.150 4.672 4.340 0.804 0.000 0.235 291 R C 2.212 178.167 176.300 -0.576 0.000 1.131 291 R CA 1.650 57.370 56.100 -0.634 0.000 0.960 291 R CB -0.521 29.526 30.300 -0.420 0.000 0.856 291 R HN 0.528 nan 8.270 nan 0.000 0.436 292 N N 1.018 119.557 118.700 -0.268 0.000 2.166 292 N HA -0.182 5.040 4.740 0.804 0.000 0.186 292 N C 1.587 177.000 175.510 -0.162 0.000 1.019 292 N CA 1.198 54.156 53.050 -0.153 0.000 0.856 292 N CB -0.145 38.284 38.487 -0.098 0.000 0.993 292 N HN 0.259 nan 8.380 nan 0.000 0.426 293 K N 1.328 121.616 120.400 -0.186 0.000 1.984 293 K HA -0.041 4.761 4.320 0.804 0.000 0.209 293 K C 2.149 178.680 176.600 -0.115 0.000 1.046 293 K CA 1.155 57.361 56.287 -0.135 0.000 0.934 293 K CB -0.198 32.242 32.500 -0.101 0.000 0.717 293 K HN 0.250 nan 8.250 nan 0.000 0.438 294 I N -1.471 118.995 120.570 -0.173 0.000 2.361 294 I HA -0.224 4.428 4.170 0.804 0.000 0.251 294 I C 1.454 177.604 176.117 0.055 0.000 1.133 294 I CA 1.226 62.501 61.300 -0.042 0.000 1.413 294 I CB -0.537 37.224 38.000 -0.398 0.000 1.073 294 I HN 0.090 nan 8.210 nan 0.000 0.424 295 Y N 2.234 122.487 120.300 -0.079 0.000 2.373 295 Y HA -0.111 4.920 4.550 0.802 0.000 0.293 295 Y C 3.089 178.896 175.900 -0.156 0.000 1.129 295 Y CA 0.650 58.652 58.100 -0.164 0.000 1.226 295 Y CB -1.034 37.180 38.460 -0.411 0.000 1.000 295 Y HN 0.492 nan 8.280 nan 0.000 0.549 296 S N -0.304 115.398 115.700 0.003 0.000 2.310 296 S HA -0.085 4.867 4.470 0.804 0.000 0.205 296 S C 2.050 176.612 174.600 -0.064 0.000 1.020 296 S CA 0.757 58.939 58.200 -0.030 0.000 0.939 296 S CB -0.556 62.608 63.200 -0.061 0.000 0.919 296 S HN 0.265 nan 8.310 nan 0.000 0.501 297 K N 0.183 120.474 120.400 -0.181 0.000 2.103 297 K HA -0.071 4.731 4.320 0.804 0.000 0.207 297 K C 0.355 176.671 176.600 -0.473 0.000 1.048 297 K CA 1.310 57.355 56.287 -0.405 0.000 0.930 297 K CB -0.208 31.872 32.500 -0.699 0.000 0.716 297 K HN 0.561 nan 8.250 nan 0.000 0.444 298 Y N -0.359 120.029 120.300 0.147 0.000 2.751 298 Y HA 0.375 5.408 4.550 0.805 0.000 0.289 298 Y C 1.134 177.129 175.900 0.158 0.000 1.110 298 Y CA -0.368 57.839 58.100 0.179 0.000 1.251 298 Y CB 0.044 38.675 38.460 0.285 0.000 1.178 298 Y HN 0.076 nan 8.280 nan 0.000 0.540 299 A N -0.295 122.648 122.820 0.206 0.000 1.997 299 A HA -0.324 4.478 4.320 0.804 0.000 0.221 299 A C 1.949 179.599 177.584 0.110 0.000 1.172 299 A CA 2.002 54.151 52.037 0.186 0.000 0.645 299 A CB -0.964 18.129 19.000 0.155 0.000 0.813 299 A HN 0.654 nan 8.150 nan 0.000 0.454 300 Y N 1.306 121.621 120.300 0.025 0.000 2.081 300 Y HA -0.272 4.760 4.550 0.804 0.000 0.280 300 Y C 2.895 178.770 175.900 -0.042 0.000 1.163 300 Y CA 2.812 60.907 58.100 -0.009 0.000 1.135 300 Y CB -0.430 38.013 38.460 -0.030 0.000 0.970 300 Y HN 0.435 nan 8.280 nan 0.000 0.498 301 T N -3.057 111.497 114.554 0.001 0.000 3.037 301 T HA 0.040 4.872 4.350 0.804 0.000 0.251 301 T C 1.327 175.890 174.700 -0.229 0.000 1.079 301 T CA 0.580 62.544 62.100 -0.228 0.000 1.067 301 T CB -0.736 67.809 68.868 -0.538 0.000 0.948 301 T HN 0.316 nan 8.240 nan 0.000 0.496 302 F N -0.086 119.918 119.950 0.089 0.000 2.694 302 F HA 0.387 5.401 4.527 0.811 0.000 0.292 302 F C 1.302 176.971 175.800 -0.218 0.000 1.121 302 F CA -0.759 57.301 58.000 0.101 0.000 1.352 302 F CB 0.273 39.341 39.000 0.114 0.000 1.107 302 F HN 0.257 nan 8.300 nan 0.000 0.597 303 H N 1.814 120.651 119.070 -0.388 0.000 2.690 303 H HA 0.221 5.259 4.556 0.803 0.000 0.289 303 H C -0.821 174.044 175.328 -0.772 0.000 1.089 303 H CA -0.487 55.243 56.048 -0.529 0.000 1.299 303 H CB 0.106 29.736 29.762 -0.219 0.000 1.405 303 H HN 0.035 nan 8.280 nan 0.000 0.463 304 H N 3.813 122.840 119.070 -0.072 0.000 2.547 304 H HA 0.134 5.171 4.556 0.803 0.000 0.342 304 H C 0.435 175.659 175.328 -0.174 0.000 1.048 304 H CA -0.414 55.548 56.048 -0.144 0.000 1.204 304 H CB 2.146 31.885 29.762 -0.039 0.000 1.493 304 H HN 0.767 nan 8.280 nan 0.000 0.511 305 T N -0.767 113.717 114.554 -0.117 0.000 3.429 305 T HA 0.071 4.903 4.350 0.804 0.000 0.212 305 T C 0.968 175.673 174.700 0.009 0.000 0.980 305 T CA 0.525 62.601 62.100 -0.040 0.000 1.201 305 T CB -0.210 68.522 68.868 -0.226 0.000 1.289 305 T HN 0.530 nan 8.240 nan 0.000 0.346 306 T N 0.064 114.564 114.554 -0.090 0.000 2.810 306 T HA 0.475 5.307 4.350 0.804 0.000 0.277 306 T C 1.105 175.739 174.700 -0.110 0.000 0.973 306 T CA -0.833 61.215 62.100 -0.087 0.000 0.949 306 T CB 1.289 70.094 68.868 -0.106 0.000 1.075 306 T HN 0.353 nan 8.240 nan 0.000 0.537 307 R N -0.439 120.002 120.500 -0.098 0.000 2.090 307 R HA 0.043 4.865 4.340 0.804 0.000 0.228 307 R C 2.106 178.396 176.300 -0.016 0.000 1.110 307 R CA 0.681 56.727 56.100 -0.090 0.000 0.973 307 R CB -0.697 29.588 30.300 -0.024 0.000 0.869 307 R HN 0.365 nan 8.270 nan 0.000 0.440 308 L N 1.317 122.522 121.223 -0.030 0.000 2.156 308 L HA -0.100 4.723 4.340 0.804 0.000 0.208 308 L C 2.085 178.932 176.870 -0.038 0.000 1.095 308 L CA 1.519 56.348 54.840 -0.019 0.000 0.770 308 L CB -0.879 41.156 42.059 -0.040 0.000 0.914 308 L HN 0.202 nan 8.230 nan 0.000 0.439 309 N N 0.162 118.818 118.700 -0.073 0.000 2.061 309 N HA -0.248 4.974 4.740 0.804 0.000 0.193 309 N C 1.740 177.199 175.510 -0.084 0.000 1.030 309 N CA 1.779 54.772 53.050 -0.096 0.000 0.856 309 N CB 0.017 38.424 38.487 -0.133 0.000 1.023 309 N HN 0.277 nan 8.380 nan 0.000 0.424 310 K N -0.166 120.185 120.400 -0.080 0.000 2.062 310 K HA -0.105 4.698 4.320 0.804 0.000 0.205 310 K C 2.055 178.714 176.600 0.098 0.000 1.051 310 K CA 1.171 57.416 56.287 -0.071 0.000 0.941 310 K CB -0.167 32.102 32.500 -0.385 0.000 0.719 310 K HN 0.344 nan 8.250 nan 0.000 0.440 311 E N 1.585 121.920 120.200 0.225 0.000 2.085 311 E HA -0.244 4.589 4.350 0.804 0.000 0.194 311 E C 1.723 178.282 176.600 -0.069 0.000 0.994 311 E CA 1.414 57.898 56.400 0.141 0.000 0.801 311 E CB 0.144 29.907 29.700 0.106 0.000 0.743 311 E HN 0.248 nan 8.360 nan 0.000 0.453 312 E N 0.268 120.428 120.200 -0.067 0.000 2.049 312 E HA -0.242 4.591 4.350 0.804 0.000 0.198 312 E C 2.054 178.569 176.600 -0.142 0.000 1.007 312 E CA 1.828 58.175 56.400 -0.088 0.000 0.809 312 E CB 0.048 29.711 29.700 -0.062 0.000 0.749 312 E HN 0.179 nan 8.360 nan 0.000 0.450 313 K N -0.000 120.272 120.400 -0.213 0.000 2.002 313 K HA -0.122 4.680 4.320 0.804 0.000 0.209 313 K C 2.126 178.325 176.600 -0.667 0.000 1.048 313 K CA 1.377 57.478 56.287 -0.309 0.000 0.930 313 K CB -0.168 32.049 32.500 -0.470 0.000 0.714 313 K HN -0.007 nan 8.250 nan 0.000 0.438 314 V N 1.837 121.225 119.914 -0.877 0.000 2.626 314 V HA -0.179 4.424 4.120 0.804 0.000 0.252 314 V C 2.019 177.692 176.094 -0.702 0.000 1.067 314 V CA 1.460 62.965 62.300 -1.324 0.000 1.081 314 V CB -0.355 30.936 31.823 -0.887 0.000 0.686 314 V HN 0.268 nan 8.190 nan 0.000 0.468 315 K N 0.025 120.188 120.400 -0.395 0.000 2.209 315 K HA -0.148 4.655 4.320 0.804 0.000 0.204 315 K C 1.815 178.364 176.600 -0.085 0.000 1.048 315 K CA 1.202 57.371 56.287 -0.197 0.000 0.940 315 K CB -0.058 32.360 32.500 -0.136 0.000 0.729 315 K HN 0.582 nan 8.250 nan 0.000 0.451 316 E N -0.592 119.559 120.200 -0.081 0.000 2.511 316 E HA -0.081 4.751 4.350 0.804 0.000 0.196 316 E C -0.186 176.587 176.600 0.288 0.000 1.066 316 E CA 0.080 56.537 56.400 0.094 0.000 0.871 316 E CB 0.180 29.962 29.700 0.136 0.000 0.863 316 E HN 0.168 nan 8.360 nan 0.000 0.520 317 W N 0.226 121.569 121.300 0.071 0.000 2.332 317 W HA 0.202 5.385 4.660 0.873 0.000 0.351 317 W C 1.276 177.863 176.519 0.112 0.000 1.195 317 W CA -1.231 56.170 57.345 0.095 0.000 1.334 317 W CB 0.798 30.312 29.460 0.090 0.000 1.206 317 W HN -0.221 nan 8.180 nan 0.000 0.637 318 S N 0.407 116.338 115.700 0.384 0.000 2.497 318 S HA 0.163 5.115 4.470 0.804 0.000 0.218 318 S C -0.144 174.629 174.600 0.288 0.000 1.023 318 S CA 0.057 58.428 58.200 0.285 0.000 0.913 318 S CB 0.243 63.590 63.200 0.245 0.000 0.800 318 S HN 0.250 nan 8.310 nan 0.000 0.505 319 L N 0.539 121.961 121.223 0.331 0.000 2.482 319 L HA 0.645 5.467 4.340 0.804 0.000 0.263 319 L C -1.798 175.312 176.870 0.400 0.000 0.957 319 L CA -0.594 54.391 54.840 0.242 0.000 0.836 319 L CB 1.762 43.783 42.059 -0.063 0.000 1.324 319 L HN 0.111 nan 8.230 nan 0.000 0.406 320 C N 4.877 124.384 119.300 0.345 0.000 2.396 320 C HA 0.883 5.825 4.460 0.804 0.000 0.321 320 C C -1.017 174.041 174.990 0.113 0.000 1.233 320 C CA -0.392 58.886 59.018 0.433 0.000 1.440 320 C CB 0.876 28.904 27.740 0.479 0.000 2.110 320 C HN 0.637 nan 8.230 nan 0.000 0.473 321 V N 6.107 126.061 119.914 0.066 0.000 2.407 321 V HA 0.641 5.243 4.120 0.804 0.000 0.291 321 V C 0.567 176.641 176.094 -0.032 0.000 1.018 321 V CA -0.264 61.911 62.300 -0.208 0.000 0.842 321 V CB 1.456 33.142 31.823 -0.228 0.000 0.996 321 V HN 1.092 nan 8.190 nan 0.000 0.426 322 A N 4.167 127.001 122.820 0.023 0.000 2.343 322 A HA 0.628 5.430 4.320 0.804 0.000 0.305 322 A C 0.694 178.353 177.584 0.126 0.000 1.308 322 A CA -0.202 51.901 52.037 0.109 0.000 0.949 322 A CB -0.058 19.060 19.000 0.197 0.000 1.148 322 A HN 0.901 nan 8.150 nan 0.000 0.545 323 T N -0.145 114.446 114.554 0.061 0.000 2.847 323 T HA 0.607 5.439 4.350 0.804 0.000 0.279 323 T C -0.652 174.148 174.700 0.167 0.000 0.984 323 T CA -0.544 61.626 62.100 0.116 0.000 0.988 323 T CB 1.403 70.299 68.868 0.047 0.000 1.040 323 T HN 0.468 nan 8.240 nan 0.000 0.528 324 D N -0.414 120.108 120.400 0.203 0.000 2.964 324 D HA 0.499 5.621 4.640 0.804 0.000 0.234 324 D C -1.419 175.011 176.300 0.216 0.000 1.223 324 D CA -0.476 53.633 54.000 0.182 0.000 0.889 324 D CB 2.045 42.906 40.800 0.101 0.000 1.609 324 D HN 0.495 nan 8.370 nan 0.000 0.523 325 V N 2.173 122.224 119.914 0.229 0.000 2.417 325 V HA 0.457 5.059 4.120 0.804 0.000 0.291 325 V C 0.317 176.530 176.094 0.198 0.000 1.024 325 V CA -0.897 61.542 62.300 0.230 0.000 0.861 325 V CB 1.567 33.571 31.823 0.302 0.000 0.985 325 V HN 0.610 nan 8.190 nan 0.000 0.436 326 S N 3.655 119.452 115.700 0.163 0.000 2.505 326 S HA 0.176 5.128 4.470 0.804 0.000 0.276 326 S C 0.438 175.232 174.600 0.323 0.000 1.274 326 S CA -0.195 58.119 58.200 0.191 0.000 1.053 326 S CB -0.183 63.108 63.200 0.153 0.000 0.919 326 S HN 0.986 nan 8.310 nan 0.000 0.490 327 D N 3.025 123.593 120.400 0.280 0.000 2.886 327 D HA -0.253 4.870 4.640 0.804 0.000 0.221 327 D C 0.544 177.071 176.300 0.377 0.000 1.227 327 D CA 1.251 55.417 54.000 0.278 0.000 0.746 327 D CB -1.246 39.683 40.800 0.214 0.000 0.935 327 D HN 0.967 nan 8.370 nan 0.000 0.399 328 H N 0.621 119.834 119.070 0.238 0.000 2.289 328 H HA -0.139 4.899 4.556 0.803 0.000 0.296 328 H C 1.376 176.851 175.328 0.245 0.000 1.091 328 H CA 2.434 58.633 56.048 0.252 0.000 1.274 328 H CB 0.226 30.102 29.762 0.191 0.000 1.364 328 H HN 0.246 nan 8.280 nan 0.000 0.490 329 D N -0.779 119.749 120.400 0.215 0.000 2.117 329 D HA -0.143 4.979 4.640 0.804 0.000 0.197 329 D C 2.306 178.618 176.300 0.020 0.000 0.987 329 D CA 2.068 56.118 54.000 0.082 0.000 0.829 329 D CB -0.699 40.138 40.800 0.062 0.000 0.961 329 D HN 0.677 nan 8.370 nan 0.000 0.460 330 T N -2.565 111.988 114.554 -0.001 0.000 3.023 330 T HA -0.012 4.820 4.350 0.804 0.000 0.266 330 T C 1.879 176.519 174.700 -0.101 0.000 1.093 330 T CA 0.297 62.347 62.100 -0.084 0.000 1.129 330 T CB -0.546 68.227 68.868 -0.159 0.000 0.899 330 T HN 0.066 nan 8.240 nan 0.000 0.491 331 F N -0.319 119.639 119.950 0.013 0.000 2.664 331 F HA 0.348 5.359 4.527 0.807 0.000 0.296 331 F C 0.912 176.688 175.800 -0.041 0.000 1.125 331 F CA -1.420 56.580 58.000 -0.001 0.000 1.444 331 F CB 0.006 39.010 39.000 0.007 0.000 1.114 331 F HN 0.173 nan 8.300 nan 0.000 0.576 332 W N 5.355 126.582 121.300 -0.122 0.000 2.435 332 W HA 0.006 5.148 4.660 0.803 0.000 0.337 332 W C -2.283 174.092 176.519 -0.239 0.000 1.300 332 W CA -1.562 55.626 57.345 -0.261 0.000 1.298 332 W CB 0.152 29.426 29.460 -0.311 0.000 1.217 332 W HN -0.185 nan 8.180 nan 0.000 0.565 333 P HA 0.118 nan 4.420 nan 0.000 0.293 333 P C 0.561 177.249 177.300 -1.020 0.000 1.313 333 P CA 0.072 62.609 63.100 -0.938 0.000 0.787 333 P CB 1.367 32.222 31.700 -1.407 0.000 0.910 334 G N 3.959 112.525 108.800 -0.389 0.000 2.479 334 G HA2 -0.234 4.208 3.960 0.804 0.000 0.220 334 G HA3 -0.234 4.208 3.960 0.804 0.000 0.220 334 G C 1.214 175.986 174.900 -0.214 0.000 1.115 334 G CA -0.007 44.991 45.100 -0.170 0.000 0.757 334 G HN 0.708 nan 8.290 nan 0.000 0.560 335 W N 0.012 121.185 121.300 -0.211 0.000 2.425 335 W HA 0.104 5.244 4.660 0.800 0.000 0.277 335 W C 1.613 177.958 176.519 -0.290 0.000 1.231 335 W CA 0.320 57.544 57.345 -0.202 0.000 1.248 335 W CB -0.829 28.523 29.460 -0.179 0.000 1.117 335 W HN 0.170 nan 8.180 nan 0.000 0.568 336 L N 2.194 122.865 121.223 -0.920 0.000 2.109 336 L HA -0.031 4.791 4.340 0.804 0.000 0.207 336 L C 3.054 179.725 176.870 -0.332 0.000 1.086 336 L CA 1.911 56.243 54.840 -0.848 0.000 0.760 336 L CB -0.902 40.256 42.059 -1.501 0.000 0.910 336 L HN -0.058 nan 8.230 nan 0.000 0.437 337 R N -0.372 119.988 120.500 -0.233 0.000 2.083 337 R HA -0.188 4.634 4.340 0.804 0.000 0.237 337 R C 1.680 178.040 176.300 0.100 0.000 1.137 337 R CA 2.121 58.313 56.100 0.154 0.000 0.951 337 R CB -0.541 29.887 30.300 0.214 0.000 0.851 337 R HN 0.405 nan 8.270 nan 0.000 0.434 338 D N 0.948 121.378 120.400 0.049 0.000 2.178 338 D HA -0.171 4.952 4.640 0.804 0.000 0.202 338 D C 1.974 178.310 176.300 0.060 0.000 0.974 338 D CA 0.919 54.960 54.000 0.068 0.000 0.841 338 D CB -0.202 40.642 40.800 0.072 0.000 0.953 338 D HN 0.322 nan 8.370 nan 0.000 0.478 339 L N 0.558 121.813 121.223 0.054 0.000 2.027 339 L HA -0.111 4.711 4.340 0.804 0.000 0.206 339 L C 2.318 179.204 176.870 0.026 0.000 1.074 339 L CA 0.953 55.823 54.840 0.050 0.000 0.745 339 L CB -0.147 41.953 42.059 0.068 0.000 0.898 339 L HN -0.098 nan 8.230 nan 0.000 0.433 340 I N -0.601 119.984 120.570 0.025 0.000 2.163 340 I HA -0.393 4.260 4.170 0.804 0.000 0.243 340 I C 2.649 178.718 176.117 -0.079 0.000 1.085 340 I CA 1.467 62.759 61.300 -0.014 0.000 1.347 340 I CB -0.532 37.508 38.000 0.067 0.000 1.044 340 I HN 0.452 nan 8.210 nan 0.000 0.408 341 C N 0.445 119.755 119.300 0.016 0.000 2.432 341 C HA -0.210 4.732 4.460 0.804 0.000 0.277 341 C C 2.604 177.581 174.990 -0.023 0.000 1.249 341 C CA 1.336 60.358 59.018 0.007 0.000 1.725 341 C CB -1.054 26.743 27.740 0.095 0.000 2.028 341 C HN 0.577 nan 8.230 nan 0.000 0.477 342 D N 0.555 120.957 120.400 0.003 0.000 2.104 342 D HA -0.186 4.937 4.640 0.804 0.000 0.194 342 D C 2.076 178.366 176.300 -0.016 0.000 0.994 342 D CA 1.675 55.678 54.000 0.006 0.000 0.830 342 D CB -0.197 40.616 40.800 0.021 0.000 0.959 342 D HN 0.399 nan 8.370 nan 0.000 0.452 343 E N -0.344 119.835 120.200 -0.034 0.000 2.150 343 E HA -0.060 4.772 4.350 0.804 0.000 0.193 343 E C 2.151 178.698 176.600 -0.090 0.000 0.985 343 E CA 0.674 57.048 56.400 -0.042 0.000 0.814 343 E CB -0.287 29.393 29.700 -0.032 0.000 0.752 343 E HN 0.412 nan 8.360 nan 0.000 0.466 344 L N -0.235 120.871 121.223 -0.194 0.000 2.046 344 L HA -0.155 4.667 4.340 0.804 0.000 0.208 344 L C 2.433 179.269 176.870 -0.056 0.000 1.077 344 L CA 0.830 55.495 54.840 -0.292 0.000 0.747 344 L CB -0.410 41.306 42.059 -0.571 0.000 0.896 344 L HN 0.199 nan 8.230 nan 0.000 0.432 345 L N -0.282 120.923 121.223 -0.030 0.000 2.012 345 L HA -0.241 4.581 4.340 0.804 0.000 0.210 345 L C 2.434 179.321 176.870 0.027 0.000 1.073 345 L CA 1.188 56.040 54.840 0.019 0.000 0.748 345 L CB -0.671 41.399 42.059 0.018 0.000 0.891 345 L HN 0.374 nan 8.230 nan 0.000 0.431 346 N N 0.124 118.833 118.700 0.016 0.000 2.104 346 N HA -0.197 5.025 4.740 0.804 0.000 0.190 346 N C 1.760 177.290 175.510 0.034 0.000 1.024 346 N CA 1.547 54.609 53.050 0.021 0.000 0.853 346 N CB -0.325 38.172 38.487 0.016 0.000 1.008 346 N HN 0.361 nan 8.380 nan 0.000 0.424 347 M N -0.673 118.958 119.600 0.051 0.000 2.632 347 M HA 0.068 5.030 4.480 0.804 0.000 0.256 347 M C 0.983 177.331 176.300 0.080 0.000 1.080 347 M CA 0.849 56.198 55.300 0.083 0.000 1.084 347 M CB 0.103 32.787 32.600 0.141 0.000 1.439 347 M HN 0.300 nan 8.290 nan 0.000 0.509 348 G N -0.664 108.177 108.800 0.068 0.000 2.144 348 G HA2 -0.252 4.191 3.960 0.804 0.000 0.218 348 G HA3 -0.252 4.191 3.960 0.804 0.000 0.218 348 G C -0.183 174.704 174.900 -0.021 0.000 0.988 348 G CA -0.707 44.403 45.100 0.016 0.000 0.659 348 G HN 0.438 nan 8.290 nan 0.000 0.522 349 Y N 1.098 121.320 120.300 -0.130 0.000 2.480 349 Y HA 0.386 5.419 4.550 0.804 0.000 0.338 349 Y C 1.400 177.170 175.900 -0.216 0.000 1.220 349 Y CA 0.350 58.329 58.100 -0.202 0.000 1.430 349 Y CB 0.744 39.077 38.460 -0.213 0.000 1.311 349 Y HN 0.510 nan 8.280 nan 0.000 0.575 350 A N 5.718 128.385 122.820 -0.255 0.000 2.567 350 A HA 0.054 4.857 4.320 0.804 0.000 0.240 350 A C -1.758 175.609 177.584 -0.362 0.000 1.053 350 A CA -1.019 50.767 52.037 -0.419 0.000 0.755 350 A CB -0.152 18.274 19.000 -0.957 0.000 0.978 350 A HN 0.650 nan 8.150 nan 0.000 0.507 351 P HA -0.163 nan 4.420 nan 0.000 0.216 351 P C 1.608 178.904 177.300 -0.008 0.000 1.153 351 P CA 1.792 64.870 63.100 -0.036 0.000 0.848 351 P CB -0.125 31.607 31.700 0.053 0.000 0.787 352 W N -1.685 119.692 121.300 0.128 0.000 2.342 352 W HA -0.143 5.000 4.660 0.805 0.000 0.297 352 W C 1.843 178.461 176.519 0.165 0.000 1.213 352 W CA 0.367 57.779 57.345 0.112 0.000 1.251 352 W CB -1.883 27.629 29.460 0.086 0.000 1.136 352 W HN 0.067 nan 8.180 nan 0.000 0.526 353 W N 2.149 123.064 121.300 -0.640 0.000 2.418 353 W HA -0.095 5.047 4.660 0.803 0.000 0.292 353 W C 2.356 178.844 176.519 -0.052 0.000 1.213 353 W CA 2.529 59.660 57.345 -0.357 0.000 1.283 353 W CB -0.508 28.505 29.460 -0.745 0.000 1.119 353 W HN -0.279 nan 8.180 nan 0.000 0.542 354 V N 1.135 121.125 119.914 0.128 0.000 2.515 354 V HA -0.270 4.333 4.120 0.804 0.000 0.250 354 V C 2.278 178.390 176.094 0.029 0.000 1.058 354 V CA 2.113 64.470 62.300 0.096 0.000 1.064 354 V CB -0.952 30.930 31.823 0.098 0.000 0.675 354 V HN 0.013 nan 8.190 nan 0.000 0.461 355 K N 0.541 120.970 120.400 0.048 0.000 2.097 355 K HA -0.072 4.731 4.320 0.804 0.000 0.205 355 K C 1.886 178.516 176.600 0.050 0.000 1.050 355 K CA 1.486 57.823 56.287 0.083 0.000 0.938 355 K CB -0.558 32.011 32.500 0.116 0.000 0.718 355 K HN 0.403 nan 8.250 nan 0.000 0.442 356 L N -0.576 120.631 121.223 -0.026 0.000 2.017 356 L HA -0.135 4.687 4.340 0.804 0.000 0.208 356 L C 2.244 179.018 176.870 -0.160 0.000 1.073 356 L CA 1.404 56.199 54.840 -0.074 0.000 0.745 356 L CB -0.503 41.480 42.059 -0.127 0.000 0.894 356 L HN 0.148 nan 8.230 nan 0.000 0.432 357 F N 0.924 120.563 119.950 -0.518 0.000 2.102 357 F HA -0.257 4.752 4.527 0.803 0.000 0.298 357 F C 2.656 178.346 175.800 -0.183 0.000 1.105 357 F CA 2.025 59.742 58.000 -0.471 0.000 1.239 357 F CB -0.200 38.336 39.000 -0.773 0.000 0.991 357 F HN 0.118 nan 8.300 nan 0.000 0.474 358 E N -0.521 119.676 120.200 -0.004 0.000 2.058 358 E HA -0.226 4.606 4.350 0.804 0.000 0.194 358 E C 1.983 178.548 176.600 -0.059 0.000 0.997 358 E CA 2.066 58.461 56.400 -0.009 0.000 0.801 358 E CB -0.337 29.413 29.700 0.084 0.000 0.746 358 E HN 0.411 nan 8.360 nan 0.000 0.450 359 T N 0.531 115.082 114.554 -0.005 0.000 2.788 359 T HA -0.174 4.659 4.350 0.804 0.000 0.268 359 T C 2.049 176.718 174.700 -0.052 0.000 1.044 359 T CA 1.556 63.663 62.100 0.011 0.000 1.139 359 T CB -0.391 68.565 68.868 0.146 0.000 0.867 359 T HN 0.347 nan 8.240 nan 0.000 0.454 360 S N 1.415 117.049 115.700 -0.109 0.000 2.442 360 S HA 0.018 4.971 4.470 0.804 0.000 0.236 360 S C 1.633 176.216 174.600 -0.028 0.000 1.007 360 S CA 0.733 58.885 58.200 -0.081 0.000 0.965 360 S CB -0.621 62.497 63.200 -0.137 0.000 0.773 360 S HN 0.479 nan 8.310 nan 0.000 0.504 361 L N 0.229 121.362 121.223 -0.150 0.000 2.653 361 L HA 0.352 5.175 4.340 0.804 0.000 0.231 361 L C 1.293 178.144 176.870 -0.032 0.000 1.153 361 L CA 0.075 54.839 54.840 -0.127 0.000 0.933 361 L CB 0.065 41.997 42.059 -0.212 0.000 1.175 361 L HN 0.250 nan 8.230 nan 0.000 0.473 362 K N -0.634 119.759 120.400 -0.012 0.000 2.520 362 K HA 0.262 5.065 4.320 0.804 0.000 0.206 362 K C -0.127 176.467 176.600 -0.009 0.000 1.122 362 K CA -0.519 55.759 56.287 -0.014 0.000 1.045 362 K CB 1.138 33.609 32.500 -0.048 0.000 0.932 362 K HN 0.021 nan 8.250 nan 0.000 0.571 363 L N 3.184 124.435 121.223 0.046 0.000 2.461 363 L HA 0.121 4.944 4.340 0.804 0.000 0.272 363 L C -2.317 174.609 176.870 0.093 0.000 1.197 363 L CA -1.404 53.457 54.840 0.035 0.000 0.836 363 L CB 0.152 42.210 42.059 -0.002 0.000 1.105 363 L HN -0.087 nan 8.230 nan 0.000 0.477 364 P HA 0.194 nan 4.420 nan 0.000 0.273 364 P C -1.545 175.849 177.300 0.157 0.000 1.250 364 P CA -0.250 62.904 63.100 0.089 0.000 0.793 364 P CB 0.696 32.434 31.700 0.063 0.000 1.011 365 V N -1.344 118.679 119.914 0.181 0.000 2.656 365 V HA 0.516 5.118 4.120 0.804 0.000 0.307 365 V C -1.402 174.830 176.094 0.230 0.000 1.051 365 V CA -1.028 61.397 62.300 0.208 0.000 0.893 365 V CB 1.600 33.509 31.823 0.144 0.000 0.999 365 V HN 0.415 nan 8.190 nan 0.000 0.426 366 Y N 4.021 124.398 120.300 0.127 0.000 2.353 366 Y HA 0.710 5.743 4.550 0.804 0.000 0.340 366 Y C -0.283 175.623 175.900 0.009 0.000 0.972 366 Y CA -0.624 57.567 58.100 0.151 0.000 1.157 366 Y CB 1.582 40.205 38.460 0.271 0.000 1.157 366 Y HN 0.672 nan 8.280 nan 0.000 0.495 367 V N 7.953 127.560 119.914 -0.511 0.000 2.406 367 V HA 0.275 4.878 4.120 0.804 0.000 0.272 367 V C 0.838 176.447 176.094 -0.807 0.000 1.043 367 V CA 0.561 62.518 62.300 -0.572 0.000 0.915 367 V CB 0.771 32.248 31.823 -0.577 0.000 0.988 367 V HN 1.098 nan 8.190 nan 0.000 0.466 368 G N 3.774 112.234 108.800 -0.566 0.000 2.624 368 G HA2 0.385 4.828 3.960 0.804 0.000 0.216 368 G HA3 0.385 4.828 3.960 0.804 0.000 0.216 368 G C 0.373 174.957 174.900 -0.526 0.000 1.274 368 G CA 0.665 45.481 45.100 -0.473 0.000 0.856 368 G HN 1.089 nan 8.290 nan 0.000 0.555 369 A N 0.056 122.772 122.820 -0.174 0.000 2.768 369 A HA 0.632 5.434 4.320 0.804 0.000 0.298 369 A C -1.934 175.673 177.584 0.038 0.000 1.159 369 A CA -0.662 51.341 52.037 -0.056 0.000 0.783 369 A CB 1.424 20.484 19.000 0.099 0.000 1.333 369 A HN 0.173 nan 8.150 nan 0.000 0.412 370 P HA 0.234 nan 4.420 nan 0.000 0.231 370 P C 0.485 177.645 177.300 -0.232 0.000 1.168 370 P CA 1.420 64.198 63.100 -0.537 0.000 0.779 370 P CB 0.484 31.777 31.700 -0.677 0.000 0.844 371 A N -1.109 121.649 122.820 -0.103 0.000 2.566 371 A HA 0.599 5.401 4.320 0.804 0.000 0.290 371 A C -3.175 174.205 177.584 -0.339 0.000 1.071 371 A CA -1.424 50.377 52.037 -0.393 0.000 0.658 371 A CB 0.219 19.075 19.000 -0.240 0.000 1.285 371 A HN -0.273 nan 8.150 nan 0.000 0.427 372 P HA 0.397 nan 4.420 nan 0.000 0.268 372 P C -0.287 176.990 177.300 -0.038 0.000 1.204 372 P CA 1.182 64.163 63.100 -0.198 0.000 0.768 372 P CB 0.484 32.044 31.700 -0.234 0.000 0.842 373 E N -0.374 119.865 120.200 0.064 0.000 2.868 373 E HA -0.239 4.594 4.350 0.804 0.000 0.278 373 E C -0.554 176.111 176.600 0.108 0.000 1.009 373 E CA 1.232 57.678 56.400 0.076 0.000 0.856 373 E CB -1.622 28.099 29.700 0.034 0.000 1.428 373 E HN 0.528 nan 8.360 nan 0.000 0.423 374 Q N -1.395 118.494 119.800 0.148 0.000 2.379 374 Q HA 0.653 5.476 4.340 0.804 0.000 0.278 374 Q C 0.261 176.361 176.000 0.166 0.000 1.068 374 Q CA -0.422 55.499 55.803 0.198 0.000 0.816 374 Q CB 2.416 31.277 28.738 0.205 0.000 1.387 374 Q HN 0.269 nan 8.270 nan 0.000 0.413 375 G N 0.303 109.231 108.800 0.213 0.000 2.342 375 G HA2 -0.140 4.302 3.960 0.804 0.000 0.220 375 G HA3 -0.140 4.302 3.960 0.804 0.000 0.220 375 G C -1.111 173.766 174.900 -0.038 0.000 1.243 375 G CA -0.246 44.787 45.100 -0.112 0.000 1.083 375 G HN 0.901 nan 8.290 nan 0.000 0.500 376 H N -0.765 118.223 119.070 -0.138 0.000 2.677 376 H HA -0.054 4.985 4.556 0.804 0.000 0.321 376 H C 0.101 175.406 175.328 -0.038 0.000 1.171 376 H CA 1.407 57.408 56.048 -0.078 0.000 1.139 376 H CB -1.806 28.023 29.762 0.112 0.000 1.515 376 H HN 0.777 nan 8.280 nan 0.000 0.423 377 T N 0.826 115.255 114.554 -0.210 0.000 2.921 377 T HA 0.451 5.283 4.350 0.804 0.000 0.297 377 T C -0.321 174.422 174.700 0.072 0.000 1.013 377 T CA -0.885 61.274 62.100 0.098 0.000 0.990 377 T CB 2.014 71.064 68.868 0.304 0.000 1.023 377 T HN 0.247 nan 8.240 nan 0.000 0.447 378 L N 4.207 125.635 121.223 0.342 0.000 2.292 378 L HA 0.651 5.473 4.340 0.804 0.000 0.284 378 L C -1.287 175.817 176.870 0.390 0.000 1.065 378 L CA -0.383 54.715 54.840 0.429 0.000 0.806 378 L CB 0.346 42.723 42.059 0.531 0.000 1.175 378 L HN 0.594 nan 8.230 nan 0.000 0.431 379 L N 6.018 127.427 121.223 0.311 0.000 2.305 379 L HA 0.833 5.655 4.340 0.804 0.000 0.284 379 L C 0.406 177.402 176.870 0.211 0.000 1.013 379 L CA -0.438 54.549 54.840 0.245 0.000 0.819 379 L CB 1.101 43.290 42.059 0.217 0.000 1.227 379 L HN 0.938 nan 8.230 nan 0.000 0.417 380 G N 2.071 110.993 108.800 0.203 0.000 2.675 380 G HA2 -0.152 4.290 3.960 0.804 0.000 0.686 380 G HA3 -0.152 4.290 3.960 0.804 0.000 0.686 380 G C -1.412 173.660 174.900 0.288 0.000 1.215 380 G CA -0.884 44.323 45.100 0.179 0.000 0.777 380 G HN 0.640 nan 8.290 nan 0.000 0.638 381 D N 1.774 122.295 120.400 0.202 0.000 2.329 381 D HA 0.550 5.673 4.640 0.804 0.000 0.232 381 D C -0.950 175.328 176.300 -0.037 0.000 1.088 381 D CA -2.272 51.816 54.000 0.146 0.000 0.835 381 D CB 1.705 42.608 40.800 0.170 0.000 1.078 381 D HN 0.019 nan 8.370 nan 0.000 0.495 382 P HA -0.058 nan 4.420 nan 0.000 0.222 382 P C 1.058 178.273 177.300 -0.142 0.000 1.147 382 P CA 0.675 63.668 63.100 -0.178 0.000 0.790 382 P CB 0.363 31.892 31.700 -0.286 0.000 0.780 383 S N -1.519 114.126 115.700 -0.093 0.000 2.447 383 S HA -0.047 4.905 4.470 0.804 0.000 0.233 383 S C 0.993 175.578 174.600 -0.025 0.000 1.006 383 S CA 0.851 59.051 58.200 0.001 0.000 0.957 383 S CB -0.473 62.735 63.200 0.013 0.000 0.773 383 S HN 0.172 nan 8.310 nan 0.000 0.507 384 N N 1.093 119.696 118.700 -0.161 0.000 2.722 384 N HA 0.252 5.474 4.740 0.804 0.000 0.242 384 N C -3.356 171.950 175.510 -0.340 0.000 1.398 384 N CA -1.212 51.665 53.050 -0.289 0.000 0.755 384 N CB 1.307 39.743 38.487 -0.085 0.000 1.268 384 N HN -0.003 nan 8.380 nan 0.000 0.522 385 P HA 0.064 nan 4.420 nan 0.000 0.258 385 P C -0.246 176.916 177.300 -0.230 0.000 1.187 385 P CA 0.450 63.339 63.100 -0.352 0.000 0.767 385 P CB 0.369 31.808 31.700 -0.434 0.000 0.770 386 D N 1.791 122.123 120.400 -0.114 0.000 2.969 386 D HA 0.087 5.209 4.640 0.804 0.000 0.317 386 D C -0.437 175.848 176.300 -0.025 0.000 1.650 386 D CA -0.187 53.776 54.000 -0.062 0.000 0.789 386 D CB -0.840 39.931 40.800 -0.049 0.000 1.277 386 D HN 0.015 nan 8.370 nan 0.000 0.463 387 L N 0.718 121.932 121.223 -0.015 0.000 2.439 387 L HA 0.424 5.246 4.340 0.804 0.000 0.261 387 L C 0.728 177.603 176.870 0.008 0.000 1.153 387 L CA 0.439 55.282 54.840 0.005 0.000 0.808 387 L CB 0.857 42.931 42.059 0.025 0.000 1.126 387 L HN 0.001 nan 8.230 nan 0.000 0.460 388 E N 1.447 121.653 120.200 0.010 0.000 3.898 388 E HA 0.119 4.951 4.350 0.804 0.000 0.219 388 E C 0.695 177.303 176.600 0.014 0.000 1.207 388 E CA 0.022 56.433 56.400 0.019 0.000 1.240 388 E CB 0.810 30.521 29.700 0.018 0.000 1.239 388 E HN 0.481 nan 8.360 nan 0.000 0.422 389 V N -1.536 118.380 119.914 0.004 0.000 3.305 389 V HA 0.241 4.843 4.120 0.804 0.000 0.269 389 V C 1.037 177.121 176.094 -0.017 0.000 1.157 389 V CA 1.197 63.487 62.300 -0.016 0.000 1.157 389 V CB -0.668 31.129 31.823 -0.043 0.000 0.772 389 V HN 0.491 nan 8.190 nan 0.000 0.498 390 G N 0.173 108.994 108.800 0.034 0.000 2.578 390 G HA2 -0.187 4.256 3.960 0.804 0.000 0.232 390 G HA3 -0.187 4.256 3.960 0.804 0.000 0.232 390 G C -0.564 174.354 174.900 0.030 0.000 1.176 390 G CA -0.061 45.103 45.100 0.106 0.000 0.968 390 G HN 0.547 nan 8.290 nan 0.000 0.583 391 L N 1.539 122.690 121.223 -0.119 0.000 2.287 391 L HA 0.628 5.450 4.340 0.804 0.000 0.287 391 L C 0.675 177.343 176.870 -0.338 0.000 1.022 391 L CA -0.364 54.223 54.840 -0.421 0.000 0.814 391 L CB 1.578 43.273 42.059 -0.607 0.000 1.217 391 L HN 0.720 nan 8.230 nan 0.000 0.420 392 S N 1.391 116.834 115.700 -0.429 0.000 2.499 392 S HA 0.051 5.004 4.470 0.804 0.000 0.275 392 S C 1.313 175.647 174.600 -0.443 0.000 1.257 392 S CA -0.081 57.792 58.200 -0.545 0.000 1.050 392 S CB 1.225 63.831 63.200 -0.990 0.000 0.937 392 S HN 0.799 nan 8.310 nan 0.000 0.490 393 S N 4.052 119.558 115.700 -0.323 0.000 2.399 393 S HA -0.026 4.927 4.470 0.804 0.000 0.231 393 S C 1.565 176.092 174.600 -0.122 0.000 1.022 393 S CA 1.137 59.226 58.200 -0.185 0.000 0.983 393 S CB -0.648 62.480 63.200 -0.119 0.000 0.803 393 S HN 0.893 nan 8.310 nan 0.000 0.480 394 G N 0.628 109.353 108.800 -0.125 0.000 3.284 394 G HA2 0.179 4.622 3.960 0.804 0.000 0.236 394 G HA3 0.179 4.622 3.960 0.804 0.000 0.236 394 G C 0.261 175.253 174.900 0.153 0.000 1.158 394 G CA -0.440 44.697 45.100 0.061 0.000 0.774 394 G HN 0.505 nan 8.290 nan 0.000 0.545 395 Q N 0.453 120.269 119.800 0.027 0.000 2.432 395 Q HA 0.131 4.953 4.340 0.804 0.000 0.264 395 Q C 1.558 177.613 176.000 0.092 0.000 1.035 395 Q CA 0.373 56.239 55.803 0.106 0.000 0.908 395 Q CB 1.166 29.858 28.738 -0.078 0.000 1.280 395 Q HN 0.121 nan 8.270 nan 0.000 0.455 396 G N 1.982 110.858 108.800 0.127 0.000 2.586 396 G HA2 -0.008 4.434 3.960 0.804 0.000 0.215 396 G HA3 -0.008 4.434 3.960 0.804 0.000 0.215 396 G C 0.578 175.578 174.900 0.165 0.000 1.128 396 G CA 0.716 45.911 45.100 0.160 0.000 0.774 396 G HN 0.599 nan 8.290 nan 0.000 0.543 397 A N -0.177 122.728 122.820 0.142 0.000 2.568 397 A HA 0.430 5.233 4.320 0.804 0.000 0.287 397 A C 1.798 179.422 177.584 0.066 0.000 0.967 397 A CA 0.955 53.090 52.037 0.163 0.000 1.004 397 A CB -0.485 18.729 19.000 0.357 0.000 1.233 397 A HN 0.297 nan 8.150 nan 0.000 0.513 398 T N -0.511 114.033 114.554 -0.017 0.000 2.803 398 T HA -0.243 4.589 4.350 0.804 0.000 0.269 398 T C 1.477 176.146 174.700 -0.051 0.000 1.052 398 T CA 2.010 64.045 62.100 -0.109 0.000 1.136 398 T CB -0.515 68.267 68.868 -0.143 0.000 0.864 398 T HN 0.544 nan 8.240 nan 0.000 0.467 399 D N 1.748 122.153 120.400 0.008 0.000 2.117 399 D HA -0.091 5.032 4.640 0.804 0.000 0.198 399 D C 2.253 178.573 176.300 0.034 0.000 0.982 399 D CA 0.845 54.863 54.000 0.029 0.000 0.828 399 D CB -0.831 40.004 40.800 0.057 0.000 0.967 399 D HN 0.472 nan 8.370 nan 0.000 0.464 400 L N -0.511 120.730 121.223 0.031 0.000 2.083 400 L HA -0.126 4.696 4.340 0.804 0.000 0.209 400 L C 2.747 179.702 176.870 0.141 0.000 1.083 400 L CA 0.853 55.711 54.840 0.030 0.000 0.752 400 L CB -0.422 41.663 42.059 0.044 0.000 0.899 400 L HN -0.011 nan 8.230 nan 0.000 0.433 401 M N -0.449 119.239 119.600 0.146 0.000 2.159 401 M HA -0.086 4.877 4.480 0.804 0.000 0.263 401 M C 2.349 178.884 176.300 0.391 0.000 1.063 401 M CA 1.798 57.233 55.300 0.225 0.000 1.110 401 M CB -1.716 30.759 32.600 -0.208 0.000 1.374 401 M HN 0.289 nan 8.290 nan 0.000 0.411 402 G N -0.765 108.182 108.800 0.244 0.000 2.421 402 G HA2 -0.126 4.316 3.960 0.804 0.000 0.217 402 G HA3 -0.126 4.316 3.960 0.804 0.000 0.217 402 G C 1.577 176.679 174.900 0.336 0.000 1.143 402 G CA 1.111 46.457 45.100 0.411 0.000 0.784 402 G HN 0.392 nan 8.290 nan 0.000 0.541 403 T N 1.359 116.043 114.554 0.217 0.000 2.777 403 T HA -0.063 4.769 4.350 0.804 0.000 0.266 403 T C 2.193 177.046 174.700 0.256 0.000 1.040 403 T CA 0.865 63.080 62.100 0.192 0.000 1.141 403 T CB -0.184 68.681 68.868 -0.006 0.000 0.868 403 T HN 0.096 nan 8.240 nan 0.000 0.444 404 L N 1.599 122.981 121.223 0.265 0.000 2.046 404 L HA 0.043 4.866 4.340 0.804 0.000 0.208 404 L C 2.192 179.313 176.870 0.419 0.000 1.077 404 L CA 1.671 56.726 54.840 0.359 0.000 0.747 404 L CB -1.503 40.779 42.059 0.371 0.000 0.896 404 L HN 0.241 nan 8.230 nan 0.000 0.432 405 L N -0.465 121.003 121.223 0.409 0.000 1.976 405 L HA -0.193 4.629 4.340 0.804 0.000 0.209 405 L C 2.384 179.430 176.870 0.294 0.000 1.071 405 L CA 1.955 56.987 54.840 0.320 0.000 0.746 405 L CB -0.578 41.615 42.059 0.224 0.000 0.890 405 L HN 0.179 nan 8.230 nan 0.000 0.432 406 M N -0.974 118.783 119.600 0.262 0.000 2.132 406 M HA -0.107 4.855 4.480 0.804 0.000 0.263 406 M C 2.616 178.965 176.300 0.083 0.000 1.065 406 M CA 1.711 57.021 55.300 0.018 0.000 1.122 406 M CB -1.755 30.875 32.600 0.049 0.000 1.365 406 M HN 0.471 nan 8.290 nan 0.000 0.411 407 S N 0.741 116.677 115.700 0.393 0.000 2.370 407 S HA -0.106 4.846 4.470 0.804 0.000 0.226 407 S C 1.858 176.729 174.600 0.452 0.000 1.033 407 S CA 1.037 59.587 58.200 0.584 0.000 1.011 407 S CB -0.017 63.658 63.200 0.792 0.000 0.852 407 S HN 0.257 nan 8.310 nan 0.000 0.457 408 I N 1.475 122.219 120.570 0.290 0.000 2.252 408 I HA -0.072 4.580 4.170 0.804 0.000 0.245 408 I C 2.502 178.596 176.117 -0.038 0.000 1.102 408 I CA 1.330 62.624 61.300 -0.010 0.000 1.385 408 I CB -2.104 35.644 38.000 -0.420 0.000 1.064 408 I HN 0.293 nan 8.210 nan 0.000 0.414 409 T N 0.653 115.238 114.554 0.050 0.000 2.684 409 T HA -0.211 4.621 4.350 0.804 0.000 0.267 409 T C 1.900 176.684 174.700 0.140 0.000 1.036 409 T CA 1.612 63.782 62.100 0.116 0.000 1.148 409 T CB -0.376 68.529 68.868 0.062 0.000 0.863 409 T HN 0.167 nan 8.240 nan 0.000 0.436 410 Y N 0.878 121.312 120.300 0.223 0.000 2.224 410 Y HA 0.033 5.063 4.550 0.801 0.000 0.289 410 Y C 2.170 178.151 175.900 0.135 0.000 1.146 410 Y CA -0.048 58.168 58.100 0.194 0.000 1.182 410 Y CB -1.030 37.550 38.460 0.202 0.000 0.983 410 Y HN 0.116 nan 8.280 nan 0.000 0.524 411 L N -0.497 120.864 121.223 0.230 0.000 2.017 411 L HA -0.149 4.673 4.340 0.804 0.000 0.208 411 L C 2.227 179.085 176.870 -0.020 0.000 1.073 411 L CA 1.483 56.303 54.840 -0.033 0.000 0.745 411 L CB -1.078 40.809 42.059 -0.288 0.000 0.894 411 L HN 0.037 nan 8.230 nan 0.000 0.432 412 V N -0.203 119.720 119.914 0.015 0.000 2.324 412 V HA -0.379 4.224 4.120 0.804 0.000 0.250 412 V C 2.683 178.852 176.094 0.125 0.000 1.060 412 V CA 2.362 64.690 62.300 0.046 0.000 1.042 412 V CB -0.587 31.307 31.823 0.118 0.000 0.650 412 V HN 0.611 nan 8.190 nan 0.000 0.450 413 M N -0.981 118.752 119.600 0.221 0.000 2.213 413 M HA -0.242 4.720 4.480 0.804 0.000 0.263 413 M C 2.257 178.774 176.300 0.362 0.000 1.062 413 M CA 1.761 57.263 55.300 0.335 0.000 1.105 413 M CB -0.092 32.720 32.600 0.354 0.000 1.385 413 M HN 0.415 nan 8.290 nan 0.000 0.417 414 Q N -0.114 119.840 119.800 0.256 0.000 2.096 414 Q HA -0.088 4.734 4.340 0.804 0.000 0.197 414 Q C 2.043 178.148 176.000 0.175 0.000 0.964 414 Q CA 1.189 57.156 55.803 0.273 0.000 0.838 414 Q CB -0.002 28.802 28.738 0.111 0.000 0.906 414 Q HN 0.532 nan 8.270 nan 0.000 0.444 415 L N 0.754 122.003 121.223 0.044 0.000 1.994 415 L HA -0.225 4.597 4.340 0.804 0.000 0.208 415 L C 1.883 178.727 176.870 -0.043 0.000 1.071 415 L CA 1.103 55.912 54.840 -0.052 0.000 0.745 415 L CB -0.512 41.474 42.059 -0.123 0.000 0.892 415 L HN 0.181 nan 8.230 nan 0.000 0.431 416 D N -0.821 119.551 120.400 -0.048 0.000 2.104 416 D HA -0.185 4.937 4.640 0.804 0.000 0.194 416 D C 2.025 178.168 176.300 -0.262 0.000 0.994 416 D CA 1.447 55.333 54.000 -0.192 0.000 0.830 416 D CB -0.202 40.409 40.800 -0.315 0.000 0.959 416 D HN 0.446 nan 8.370 nan 0.000 0.452 417 H N -1.655 117.461 119.070 0.075 0.000 2.622 417 H HA 0.191 5.220 4.556 0.789 0.000 0.269 417 H C 1.359 176.739 175.328 0.087 0.000 0.977 417 H CA 1.314 57.408 56.048 0.077 0.000 1.179 417 H CB 0.883 30.696 29.762 0.085 0.000 1.458 417 H HN 0.266 nan 8.280 nan 0.000 0.531 418 T N -3.497 111.190 114.554 0.222 0.000 3.074 418 T HA 0.357 5.189 4.350 0.804 0.000 0.258 418 T C 1.019 175.840 174.700 0.203 0.000 0.891 418 T CA 0.253 62.488 62.100 0.225 0.000 0.867 418 T CB 0.210 69.292 68.868 0.358 0.000 1.261 418 T HN 0.144 nan 8.240 nan 0.000 0.537 419 A N 2.671 125.533 122.820 0.070 0.000 3.253 419 A HA 0.618 5.420 4.320 0.804 0.000 0.290 419 A C -1.569 175.792 177.584 -0.372 0.000 0.950 419 A CA -1.125 50.776 52.037 -0.225 0.000 0.986 419 A CB 0.561 19.404 19.000 -0.262 0.000 1.104 419 A HN 0.283 nan 8.150 nan 0.000 0.481 420 P HA -0.217 nan 4.420 nan 0.000 0.222 420 P C 0.960 178.185 177.300 -0.124 0.000 1.147 420 P CA 1.249 64.281 63.100 -0.114 0.000 0.790 420 P CB -0.342 31.343 31.700 -0.024 0.000 0.780 421 H N -0.839 118.215 119.070 -0.025 0.000 2.567 421 H HA 0.109 5.093 4.556 0.713 0.000 0.276 421 H C 1.493 176.786 175.328 -0.058 0.000 1.016 421 H CA 0.315 56.346 56.048 -0.030 0.000 1.186 421 H CB -0.860 28.901 29.762 -0.001 0.000 1.351 421 H HN 0.214 nan 8.280 nan 0.000 0.605 422 L N 0.191 121.175 121.223 -0.398 0.000 2.590 422 L HA 0.041 4.863 4.340 0.804 0.000 0.227 422 L C 1.669 178.301 176.870 -0.397 0.000 1.099 422 L CA -0.120 54.508 54.840 -0.353 0.000 0.872 422 L CB -0.076 41.728 42.059 -0.425 0.000 1.088 422 L HN 0.076 nan 8.230 nan 0.000 0.479 423 N N 0.595 119.113 118.700 -0.303 0.000 2.149 423 N HA -0.186 5.036 4.740 0.804 0.000 0.188 423 N C 2.032 177.408 175.510 -0.222 0.000 1.019 423 N CA 1.822 54.710 53.050 -0.270 0.000 0.857 423 N CB -0.269 38.110 38.487 -0.181 0.000 0.997 423 N HN 0.356 nan 8.380 nan 0.000 0.426 424 S N 0.491 116.097 115.700 -0.157 0.000 2.500 424 S HA 0.001 4.953 4.470 0.804 0.000 0.239 424 S C 1.495 176.022 174.600 -0.121 0.000 0.989 424 S CA 0.431 58.566 58.200 -0.109 0.000 0.951 424 S CB -0.053 63.111 63.200 -0.060 0.000 0.759 424 S HN 0.239 nan 8.310 nan 0.000 0.523 425 R N 0.429 120.812 120.500 -0.196 0.000 2.297 425 R HA 0.340 5.162 4.340 0.804 0.000 0.197 425 R C -0.026 176.156 176.300 -0.197 0.000 0.943 425 R CA 0.322 56.314 56.100 -0.180 0.000 1.038 425 R CB -0.177 29.985 30.300 -0.231 0.000 0.957 425 R HN 0.500 nan 8.270 nan 0.000 0.484 426 I N 1.272 121.697 120.570 -0.241 0.000 2.503 426 I HA 0.174 4.826 4.170 0.804 0.000 0.277 426 I C 0.713 176.758 176.117 -0.119 0.000 1.078 426 I CA -0.084 61.103 61.300 -0.189 0.000 1.184 426 I CB 1.314 39.150 38.000 -0.274 0.000 1.353 426 I HN -0.164 nan 8.210 nan 0.000 0.490 427 K N 2.323 122.678 120.400 -0.075 0.000 2.365 427 K HA 0.176 4.979 4.320 0.804 0.000 0.195 427 K C -0.279 176.299 176.600 -0.036 0.000 1.079 427 K CA 0.293 56.548 56.287 -0.053 0.000 0.979 427 K CB 0.480 32.956 32.500 -0.040 0.000 0.929 427 K HN 0.637 nan 8.250 nan 0.000 0.523 428 D N -2.092 118.292 120.400 -0.027 0.000 2.838 428 D HA 0.103 5.225 4.640 0.804 0.000 0.334 428 D C 0.671 176.966 176.300 -0.008 0.000 1.315 428 D CA -0.702 53.289 54.000 -0.015 0.000 0.917 428 D CB 0.117 40.912 40.800 -0.008 0.000 1.435 428 D HN -0.363 nan 8.370 nan 0.000 0.517 429 M N -0.698 118.902 119.600 0.001 0.000 2.086 429 M HA 0.026 4.988 4.480 0.804 0.000 0.261 429 M C -0.994 175.313 176.300 0.011 0.000 1.067 429 M CA 1.620 56.924 55.300 0.007 0.000 1.116 429 M CB -2.358 30.251 32.600 0.014 0.000 1.348 429 M HN 0.365 nan 8.290 nan 0.000 0.407 430 P HA -0.108 nan 4.420 nan 0.000 0.215 430 P C 1.665 178.979 177.300 0.025 0.000 1.153 430 P CA 2.115 65.228 63.100 0.021 0.000 0.853 430 P CB -0.197 31.514 31.700 0.019 0.000 0.788 431 S N -1.029 114.682 115.700 0.018 0.000 2.428 431 S HA 0.001 4.954 4.470 0.804 0.000 0.230 431 S C 2.067 176.693 174.600 0.044 0.000 1.014 431 S CA 0.884 59.101 58.200 0.028 0.000 0.957 431 S CB -1.293 61.911 63.200 0.006 0.000 0.784 431 S HN 0.083 nan 8.310 nan 0.000 0.499 432 A N 1.135 123.964 122.820 0.016 0.000 1.873 432 A HA -0.028 4.774 4.320 0.804 0.000 0.215 432 A C 2.478 180.070 177.584 0.013 0.000 1.186 432 A CA 1.392 53.437 52.037 0.013 0.000 0.616 432 A CB -1.515 17.471 19.000 -0.023 0.000 0.823 432 A HN 0.668 nan 8.150 nan 0.000 0.442 433 C N -1.039 118.260 119.300 -0.001 0.000 2.413 433 C HA -0.096 4.846 4.460 0.804 0.000 0.276 433 C C 2.877 177.860 174.990 -0.011 0.000 1.236 433 C CA 1.200 60.206 59.018 -0.019 0.000 1.735 433 C CB -1.340 26.410 27.740 0.015 0.000 2.031 433 C HN 0.600 nan 8.230 nan 0.000 0.474 434 R N -0.589 119.932 120.500 0.035 0.000 2.081 434 R HA -0.141 4.681 4.340 0.804 0.000 0.235 434 R C 2.079 178.401 176.300 0.037 0.000 1.131 434 R CA 1.730 57.861 56.100 0.050 0.000 0.960 434 R CB -0.542 29.801 30.300 0.072 0.000 0.856 434 R HN 0.602 nan 8.270 nan 0.000 0.436 435 F N 0.998 120.909 119.950 -0.066 0.000 2.146 435 F HA -0.160 4.833 4.527 0.776 0.000 0.298 435 F C 1.917 177.637 175.800 -0.134 0.000 1.096 435 F CA 1.063 59.012 58.000 -0.085 0.000 1.275 435 F CB -0.221 38.709 39.000 -0.117 0.000 1.008 435 F HN -0.061 nan 8.300 nan 0.000 0.480 436 L N 0.700 121.719 121.223 -0.339 0.000 2.072 436 L HA -0.157 4.666 4.340 0.804 0.000 0.205 436 L C 2.244 178.766 176.870 -0.580 0.000 1.079 436 L CA 2.120 56.590 54.840 -0.617 0.000 0.752 436 L CB -1.242 40.404 42.059 -0.689 0.000 0.906 436 L HN 0.319 nan 8.230 nan 0.000 0.436 437 D N -1.425 118.793 120.400 -0.303 0.000 2.092 437 D HA -0.257 4.865 4.640 0.804 0.000 0.193 437 D C 2.071 178.364 176.300 -0.011 0.000 0.994 437 D CA 1.703 55.683 54.000 -0.033 0.000 0.828 437 D CB 0.168 41.038 40.800 0.117 0.000 0.963 437 D HN 0.450 nan 8.370 nan 0.000 0.450 438 S N -1.137 114.493 115.700 -0.117 0.000 2.368 438 S HA -0.226 4.727 4.470 0.804 0.000 0.225 438 S C 2.146 176.596 174.600 -0.250 0.000 1.030 438 S CA 1.112 59.234 58.200 -0.130 0.000 0.999 438 S CB -0.784 62.373 63.200 -0.071 0.000 0.844 438 S HN 0.518 nan 8.310 nan 0.000 0.459 439 Y N 0.231 120.196 120.300 -0.559 0.000 2.145 439 Y HA -0.112 4.903 4.550 0.775 0.000 0.286 439 Y C 1.883 177.638 175.900 -0.241 0.000 1.145 439 Y CA 1.982 59.766 58.100 -0.527 0.000 1.148 439 Y CB -0.431 37.568 38.460 -0.768 0.000 0.981 439 Y HN 0.344 nan 8.280 nan 0.000 0.507 440 W N 1.135 122.258 121.300 -0.295 0.000 2.465 440 W HA -0.083 5.056 4.660 0.798 0.000 0.268 440 W C 1.741 178.138 176.519 -0.202 0.000 1.242 440 W CA 1.064 58.220 57.345 -0.315 0.000 1.248 440 W CB -0.683 28.587 29.460 -0.317 0.000 1.118 440 W HN 0.318 nan 8.180 nan 0.000 0.587 441 Q N -0.775 118.988 119.800 -0.062 0.000 2.320 441 Q HA 0.216 5.038 4.340 0.804 0.000 0.201 441 Q C 1.565 177.175 176.000 -0.649 0.000 0.910 441 Q CA 0.577 56.223 55.803 -0.261 0.000 0.946 441 Q CB 0.034 28.473 28.738 -0.499 0.000 1.062 441 Q HN 0.241 nan 8.270 nan 0.000 0.503 442 G N 0.612 108.920 108.800 -0.820 0.000 2.143 442 G HA2 -0.310 4.132 3.960 0.804 0.000 0.249 442 G HA3 -0.310 4.132 3.960 0.804 0.000 0.249 442 G C 0.181 174.769 174.900 -0.520 0.000 0.981 442 G CA 0.380 44.721 45.100 -1.266 0.000 0.665 442 G HN 0.635 nan 8.290 nan 0.000 0.528 443 H N -0.103 118.765 119.070 -0.337 0.000 2.539 443 H HA 0.209 5.244 4.556 0.799 0.000 0.267 443 H C 0.979 176.229 175.328 -0.130 0.000 0.982 443 H CA 0.153 56.092 56.048 -0.182 0.000 1.146 443 H CB 0.481 30.179 29.762 -0.106 0.000 1.382 443 H HN 0.365 nan 8.280 nan 0.000 0.577 444 E N 0.750 120.917 120.200 -0.056 0.000 2.254 444 E HA -0.007 4.826 4.350 0.804 0.000 0.258 444 E C 0.911 177.503 176.600 -0.014 0.000 1.033 444 E CA -0.256 56.149 56.400 0.009 0.000 0.893 444 E CB 1.218 30.953 29.700 0.058 0.000 1.204 444 E HN 0.439 nan 8.360 nan 0.000 0.425 445 E N 0.871 121.100 120.200 0.049 0.000 2.427 445 E HA -0.047 4.785 4.350 0.804 0.000 0.196 445 E C 0.465 177.022 176.600 -0.073 0.000 1.028 445 E CA 0.396 56.819 56.400 0.038 0.000 0.864 445 E CB -0.091 29.687 29.700 0.131 0.000 0.813 445 E HN 0.437 nan 8.360 nan 0.000 0.514 446 I N -1.281 119.221 120.570 -0.113 0.000 2.530 446 I HA 0.590 5.242 4.170 0.804 0.000 0.297 446 I C -0.482 175.436 176.117 -0.331 0.000 1.011 446 I CA -1.256 59.821 61.300 -0.371 0.000 1.107 446 I CB 1.858 39.715 38.000 -0.238 0.000 1.285 446 I HN -0.152 nan 8.210 nan 0.000 0.436 447 R N 3.943 124.041 120.500 -0.669 0.000 2.795 447 R HA 0.637 5.459 4.340 0.804 0.000 0.268 447 R C -1.619 174.293 176.300 -0.646 0.000 1.041 447 R CA -1.009 54.687 56.100 -0.673 0.000 0.927 447 R CB 2.217 32.218 30.300 -0.500 0.000 1.235 447 R HN 0.841 nan 8.270 nan 0.000 0.463 448 Q N 0.746 120.320 119.800 -0.376 0.000 2.435 448 Q HA 0.616 5.438 4.340 0.804 0.000 0.282 448 Q C -1.342 174.646 176.000 -0.021 0.000 1.020 448 Q CA -1.040 54.649 55.803 -0.190 0.000 0.820 448 Q CB 2.159 30.845 28.738 -0.086 0.000 1.436 448 Q HN 0.658 nan 8.270 nan 0.000 0.395 449 I N -0.325 120.192 120.570 -0.089 0.000 2.498 449 I HA 0.884 5.536 4.170 0.804 0.000 0.290 449 I C -0.840 175.055 176.117 -0.369 0.000 1.032 449 I CA -0.613 60.541 61.300 -0.244 0.000 1.073 449 I CB 2.103 39.786 38.000 -0.528 0.000 1.251 449 I HN 0.880 nan 8.210 nan 0.000 0.426 450 S N 4.030 119.793 115.700 0.106 0.000 2.611 450 S HA 0.684 5.636 4.470 0.804 0.000 0.268 450 S C -1.172 173.825 174.600 0.662 0.000 1.156 450 S CA -0.956 57.494 58.200 0.417 0.000 0.817 450 S CB 2.208 65.644 63.200 0.393 0.000 1.122 450 S HN 0.908 nan 8.310 nan 0.000 0.466 451 K N 1.148 121.866 120.400 0.531 0.000 2.656 451 K HA 0.617 5.419 4.320 0.804 0.000 0.253 451 K C 0.070 176.823 176.600 0.255 0.000 1.002 451 K CA 0.084 56.598 56.287 0.378 0.000 0.880 451 K CB 1.074 33.724 32.500 0.250 0.000 1.232 451 K HN 0.916 nan 8.250 nan 0.000 0.456 452 S N 1.832 117.662 115.700 0.217 0.000 4.050 452 S HA -0.281 4.671 4.470 0.804 0.000 0.602 452 S C 0.534 175.208 174.600 0.123 0.000 2.030 452 S CA 1.731 59.983 58.200 0.087 0.000 4.208 452 S CB -1.009 62.153 63.200 -0.064 0.000 0.290 452 S HN 1.025 nan 8.310 nan 0.000 0.615 453 D N 1.925 122.283 120.400 -0.069 0.000 2.352 453 D HA 0.184 5.307 4.640 0.804 0.000 0.232 453 D C -0.033 176.424 176.300 0.262 0.000 1.055 453 D CA 0.376 54.447 54.000 0.120 0.000 0.891 453 D CB -0.468 40.343 40.800 0.019 0.000 0.897 453 D HN 0.371 nan 8.370 nan 0.000 0.529 454 D N 0.153 120.704 120.400 0.251 0.000 2.217 454 D HA 0.621 5.744 4.640 0.804 0.000 0.243 454 D C -1.031 175.535 176.300 0.443 0.000 1.054 454 D CA -0.594 53.577 54.000 0.285 0.000 0.838 454 D CB 1.573 42.461 40.800 0.146 0.000 1.162 454 D HN 0.189 nan 8.370 nan 0.000 0.472 455 A N 3.128 126.123 122.820 0.292 0.000 2.586 455 A HA 0.672 5.475 4.320 0.804 0.000 0.291 455 A C -1.441 176.012 177.584 -0.218 0.000 1.062 455 A CA -0.726 51.295 52.037 -0.027 0.000 0.666 455 A CB 1.245 20.075 19.000 -0.284 0.000 1.281 455 A HN 0.512 nan 8.150 nan 0.000 0.421 456 M N 1.639 121.005 119.600 -0.391 0.000 2.263 456 M HA 0.452 5.414 4.480 0.804 0.000 0.295 456 M C -1.461 174.781 176.300 -0.097 0.000 1.028 456 M CA -0.196 55.013 55.300 -0.153 0.000 0.921 456 M CB 1.785 34.334 32.600 -0.086 0.000 1.601 456 M HN 0.587 nan 8.290 nan 0.000 0.440 457 L N 2.509 123.644 121.223 -0.146 0.000 2.295 457 L HA 0.816 5.638 4.340 0.804 0.000 0.285 457 L C 0.416 176.877 176.870 -0.682 0.000 1.035 457 L CA -0.650 53.943 54.840 -0.410 0.000 0.806 457 L CB 1.475 43.379 42.059 -0.260 0.000 1.214 457 L HN 0.791 nan 8.230 nan 0.000 0.426 458 G N 2.216 110.104 108.800 -1.520 0.000 2.481 458 G HA2 0.591 5.034 3.960 0.804 0.000 0.315 458 G HA3 0.591 5.034 3.960 0.804 0.000 0.315 458 G C -1.881 172.182 174.900 -1.394 0.000 1.231 458 G CA -0.342 43.681 45.100 -1.795 0.000 0.968 458 G HN 0.471 nan 8.290 nan 0.000 0.482 459 W N 1.774 122.767 121.300 -0.512 0.000 2.781 459 W HA 0.364 5.091 4.660 0.111 0.000 0.333 459 W C 0.516 176.978 176.519 -0.095 0.000 1.047 459 W CA -0.617 56.594 57.345 -0.224 0.000 1.236 459 W CB 2.227 31.622 29.460 -0.109 0.000 1.394 459 W HN 0.821 nan 8.180 nan 0.000 0.466 460 T N -0.218 114.394 114.554 0.096 0.000 2.865 460 T HA 0.368 5.200 4.350 0.804 0.000 0.302 460 T C 0.471 175.282 174.700 0.184 0.000 1.078 460 T CA -0.654 61.539 62.100 0.155 0.000 0.942 460 T CB 1.046 69.983 68.868 0.115 0.000 1.387 460 T HN 0.040 nan 8.240 nan 0.000 0.557 461 K N 0.861 121.352 120.400 0.151 0.000 2.326 461 K HA 0.606 5.408 4.320 0.804 0.000 0.275 461 K C 0.593 177.266 176.600 0.121 0.000 1.018 461 K CA 0.329 56.695 56.287 0.132 0.000 0.962 461 K CB 0.571 33.131 32.500 0.099 0.000 0.953 461 K HN 1.092 nan 8.250 nan 0.000 0.475 462 G N 0.963 109.831 108.800 0.114 0.000 2.356 462 G HA2 -0.040 4.403 3.960 0.804 0.000 0.288 462 G HA3 -0.040 4.403 3.960 0.804 0.000 0.288 462 G C 0.274 175.223 174.900 0.081 0.000 1.302 462 G CA -0.807 44.348 45.100 0.092 0.000 0.887 462 G HN 0.470 nan 8.290 nan 0.000 0.521 463 R N -0.340 120.172 120.500 0.020 0.000 2.096 463 R HA 0.002 4.825 4.340 0.804 0.000 0.235 463 R C 2.989 179.376 176.300 0.145 0.000 1.127 463 R CA 2.054 58.133 56.100 -0.036 0.000 0.968 463 R CB -0.377 29.685 30.300 -0.396 0.000 0.861 463 R HN 0.613 nan 8.270 nan 0.000 0.440 464 A N 0.974 123.989 122.820 0.324 0.000 1.969 464 A HA -0.141 4.661 4.320 0.804 0.000 0.218 464 A C 1.996 179.743 177.584 0.272 0.000 1.169 464 A CA 0.810 53.101 52.037 0.422 0.000 0.635 464 A CB -0.396 18.932 19.000 0.545 0.000 0.810 464 A HN 0.236 nan 8.150 nan 0.000 0.445 465 L N -0.072 121.295 121.223 0.239 0.000 2.021 465 L HA -0.178 4.644 4.340 0.804 0.000 0.215 465 L C 2.447 179.337 176.870 0.034 0.000 1.074 465 L CA 2.352 57.257 54.840 0.107 0.000 0.760 465 L CB -0.670 41.498 42.059 0.181 0.000 0.889 465 L HN 0.234 nan 8.230 nan 0.000 0.433 466 V N -0.319 119.639 119.914 0.073 0.000 2.407 466 V HA -0.164 4.439 4.120 0.804 0.000 0.248 466 V C 2.348 178.452 176.094 0.017 0.000 1.055 466 V CA 1.973 64.309 62.300 0.060 0.000 1.049 466 V CB -0.826 31.018 31.823 0.036 0.000 0.662 466 V HN 0.616 nan 8.190 nan 0.000 0.455 467 G N -0.521 108.275 108.800 -0.005 0.000 2.402 467 G HA2 -0.128 4.315 3.960 0.804 0.000 0.216 467 G HA3 -0.128 4.315 3.960 0.804 0.000 0.216 467 G C 1.616 176.391 174.900 -0.209 0.000 1.162 467 G CA 0.774 45.861 45.100 -0.021 0.000 0.777 467 G HN 0.696 nan 8.290 nan 0.000 0.539 468 G N 0.066 108.510 108.800 -0.593 0.000 2.513 468 G HA2 -0.292 4.150 3.960 0.804 0.000 0.219 468 G HA3 -0.292 4.150 3.960 0.804 0.000 0.219 468 G C 1.642 176.082 174.900 -0.767 0.000 1.160 468 G CA 1.174 45.438 45.100 -1.392 0.000 0.767 468 G HN 0.533 nan 8.290 nan 0.000 0.571 469 H N -0.105 118.747 119.070 -0.363 0.000 2.423 469 H HA 0.060 5.096 4.556 0.800 0.000 0.297 469 H C 2.768 178.052 175.328 -0.073 0.000 1.075 469 H CA 1.069 57.032 56.048 -0.142 0.000 1.342 469 H CB 0.103 29.800 29.762 -0.108 0.000 1.395 469 H HN 0.296 nan 8.280 nan 0.000 0.530 470 R N 0.287 120.795 120.500 0.014 0.000 2.090 470 R HA -0.096 4.726 4.340 0.804 0.000 0.228 470 R C 2.283 178.588 176.300 0.008 0.000 1.110 470 R CA 0.482 56.596 56.100 0.024 0.000 0.973 470 R CB -0.122 30.196 30.300 0.030 0.000 0.869 470 R HN 0.115 nan 8.270 nan 0.000 0.440 471 L N 0.356 121.548 121.223 -0.051 0.000 2.017 471 L HA -0.176 4.647 4.340 0.804 0.000 0.208 471 L C 1.939 178.836 176.870 0.045 0.000 1.073 471 L CA 1.737 56.538 54.840 -0.065 0.000 0.745 471 L CB -0.932 41.064 42.059 -0.106 0.000 0.894 471 L HN 0.066 nan 8.230 nan 0.000 0.432 472 F N 0.975 120.832 119.950 -0.156 0.000 2.091 472 F HA -0.241 4.768 4.527 0.802 0.000 0.299 472 F C 2.570 178.363 175.800 -0.012 0.000 1.103 472 F CA 2.008 59.963 58.000 -0.075 0.000 1.228 472 F CB -0.755 38.173 39.000 -0.119 0.000 0.984 472 F HN 0.329 nan 8.300 nan 0.000 0.477 473 E N 0.172 120.451 120.200 0.131 0.000 2.110 473 E HA -0.257 4.576 4.350 0.804 0.000 0.193 473 E C 2.416 179.014 176.600 -0.004 0.000 0.988 473 E CA 1.588 58.000 56.400 0.020 0.000 0.804 473 E CB -0.558 29.162 29.700 0.033 0.000 0.745 473 E HN 0.499 nan 8.360 nan 0.000 0.458 474 M N -0.444 119.171 119.600 0.025 0.000 2.086 474 M HA -0.168 4.794 4.480 0.804 0.000 0.261 474 M C 1.869 178.194 176.300 0.041 0.000 1.067 474 M CA 1.450 56.758 55.300 0.013 0.000 1.116 474 M CB -0.087 32.498 32.600 -0.024 0.000 1.348 474 M HN 0.206 nan 8.290 nan 0.000 0.407 475 L N 0.130 121.410 121.223 0.094 0.000 2.046 475 L HA -0.247 4.575 4.340 0.804 0.000 0.208 475 L C 2.618 179.583 176.870 0.159 0.000 1.077 475 L CA 1.614 56.571 54.840 0.194 0.000 0.747 475 L CB -0.776 41.471 42.059 0.313 0.000 0.896 475 L HN 0.382 nan 8.230 nan 0.000 0.432 476 K N 0.491 120.835 120.400 -0.092 0.000 2.057 476 K HA -0.208 4.594 4.320 0.804 0.000 0.207 476 K C 1.890 178.420 176.600 -0.117 0.000 1.049 476 K CA 1.577 57.648 56.287 -0.361 0.000 0.931 476 K CB 0.025 32.074 32.500 -0.753 0.000 0.714 476 K HN 0.344 nan 8.250 nan 0.000 0.440 477 E N -0.537 119.621 120.200 -0.070 0.000 2.150 477 E HA -0.065 4.767 4.350 0.804 0.000 0.193 477 E C 0.762 177.381 176.600 0.032 0.000 0.985 477 E CA 0.557 56.942 56.400 -0.026 0.000 0.814 477 E CB -0.119 29.569 29.700 -0.021 0.000 0.752 477 E HN 0.588 nan 8.360 nan 0.000 0.466 478 G N 1.846 110.689 108.800 0.071 0.000 2.395 478 G HA2 -0.334 4.109 3.960 0.804 0.000 0.300 478 G HA3 -0.334 4.109 3.960 0.804 0.000 0.300 478 G C 0.485 175.421 174.900 0.060 0.000 0.998 478 G CA 1.071 46.228 45.100 0.095 0.000 1.046 478 G HN 0.273 nan 8.290 nan 0.000 0.513 479 K N -1.596 118.830 120.400 0.044 0.000 2.391 479 K HA 0.320 5.122 4.320 0.804 0.000 0.197 479 K C 0.497 177.118 176.600 0.035 0.000 1.087 479 K CA 0.355 56.663 56.287 0.034 0.000 1.012 479 K CB 1.345 33.861 32.500 0.025 0.000 0.925 479 K HN 0.296 nan 8.250 nan 0.000 0.547 480 V N 2.043 121.981 119.914 0.039 0.000 2.588 480 V HA 0.182 4.784 4.120 0.804 0.000 0.304 480 V C -0.715 175.405 176.094 0.044 0.000 1.042 480 V CA -1.322 61.002 62.300 0.040 0.000 0.877 480 V CB 1.553 33.404 31.823 0.046 0.000 0.996 480 V HN 0.123 nan 8.190 nan 0.000 0.425 481 N N 6.247 124.971 118.700 0.041 0.000 2.475 481 N HA 0.263 5.485 4.740 0.804 0.000 0.267 481 N C -1.156 174.389 175.510 0.059 0.000 1.169 481 N CA -1.461 51.615 53.050 0.043 0.000 0.947 481 N CB 1.297 39.796 38.487 0.021 0.000 1.061 481 N HN 0.420 nan 8.380 nan 0.000 0.466 482 P HA 0.020 nan 4.420 nan 0.000 0.241 482 P C -0.428 176.998 177.300 0.209 0.000 1.191 482 P CA 0.319 63.463 63.100 0.074 0.000 0.771 482 P CB 0.446 32.095 31.700 -0.084 0.000 0.929 483 S N 0.731 116.504 115.700 0.122 0.000 2.542 483 S HA 0.515 5.468 4.470 0.804 0.000 0.293 483 S C -2.166 172.410 174.600 -0.040 0.000 1.089 483 S CA -1.823 56.429 58.200 0.086 0.000 0.961 483 S CB 1.901 65.183 63.200 0.138 0.000 1.062 483 S HN -0.168 nan 8.310 nan 0.000 0.483 484 P HA 0.120 nan 4.420 nan 0.000 0.239 484 P C 0.308 177.420 177.300 -0.313 0.000 1.188 484 P CA 0.456 63.348 63.100 -0.347 0.000 0.794 484 P CB 0.070 31.427 31.700 -0.571 0.000 0.937 485 Y N -0.658 119.712 120.300 0.118 0.000 2.347 485 Y HA 0.216 5.246 4.550 0.800 0.000 0.294 485 Y C 1.706 177.626 175.900 0.035 0.000 1.117 485 Y CA 0.618 58.805 58.100 0.145 0.000 1.184 485 Y CB -0.166 38.439 38.460 0.242 0.000 1.047 485 Y HN -0.131 nan 8.280 nan 0.000 0.546 486 M N -0.657 119.013 119.600 0.116 0.000 2.664 486 M HA 0.285 5.247 4.480 0.804 0.000 0.279 486 M C -0.941 175.304 176.300 -0.091 0.000 1.275 486 M CA -1.029 54.240 55.300 -0.051 0.000 0.829 486 M CB 1.902 34.513 32.600 0.019 0.000 1.727 486 M HN -0.209 nan 8.290 nan 0.000 0.459 487 K N 1.755 122.030 120.400 -0.209 0.000 2.273 487 K HA 0.488 5.291 4.320 0.804 0.000 0.287 487 K C -0.801 175.810 176.600 0.019 0.000 1.089 487 K CA -0.283 55.936 56.287 -0.113 0.000 0.909 487 K CB 0.462 32.851 32.500 -0.185 0.000 1.123 487 K HN 0.351 nan 8.250 nan 0.000 0.473 488 I N 2.103 122.721 120.570 0.080 0.000 2.460 488 I HA 0.272 4.925 4.170 0.804 0.000 0.298 488 I C 0.692 176.897 176.117 0.146 0.000 0.989 488 I CA -0.375 61.021 61.300 0.160 0.000 1.173 488 I CB 1.299 39.433 38.000 0.224 0.000 1.338 488 I HN 0.619 nan 8.210 nan 0.000 0.456 489 S N 4.339 120.137 115.700 0.163 0.000 2.819 489 S HA 0.671 5.624 4.470 0.804 0.000 0.299 489 S C -1.018 173.713 174.600 0.218 0.000 1.192 489 S CA -0.821 57.480 58.200 0.168 0.000 0.847 489 S CB 1.659 64.900 63.200 0.068 0.000 1.224 489 S HN 0.450 nan 8.310 nan 0.000 0.537 490 Y N 0.151 120.550 120.300 0.165 0.000 2.352 490 Y HA 0.716 5.749 4.550 0.804 0.000 0.326 490 Y C 0.073 176.086 175.900 0.189 0.000 1.166 490 Y CA -1.069 57.144 58.100 0.188 0.000 1.182 490 Y CB 0.506 39.129 38.460 0.273 0.000 1.216 490 Y HN 0.884 nan 8.280 nan 0.000 0.474 491 E N 2.914 123.202 120.200 0.147 0.000 2.324 491 E HA -0.047 4.786 4.350 0.804 0.000 0.271 491 E C -0.764 175.907 176.600 0.117 0.000 1.028 491 E CA -0.323 56.125 56.400 0.079 0.000 0.890 491 E CB 0.286 30.074 29.700 0.146 0.000 1.004 491 E HN 0.842 nan 8.360 nan 0.000 0.431 492 H N 4.309 123.340 119.070 -0.064 0.000 3.109 492 H HA 0.209 5.247 4.556 0.804 0.000 0.266 492 H C -0.087 175.314 175.328 0.122 0.000 1.334 492 H CA 1.036 57.118 56.048 0.057 0.000 1.456 492 H CB -0.224 29.523 29.762 -0.025 0.000 1.587 492 H HN 0.862 nan 8.280 nan 0.000 0.500 493 G N 3.723 112.500 108.800 -0.038 0.000 3.030 493 G HA2 -0.182 4.261 3.960 0.804 0.000 0.233 493 G HA3 -0.182 4.261 3.960 0.804 0.000 0.233 493 G C 0.459 175.433 174.900 0.123 0.000 1.091 493 G CA -0.386 44.728 45.100 0.022 0.000 1.113 493 G HN 0.909 nan 8.290 nan 0.000 0.556 494 G N -0.211 108.705 108.800 0.193 0.000 2.265 494 G HA2 0.695 5.137 3.960 0.804 0.000 0.240 494 G HA3 0.695 5.137 3.960 0.804 0.000 0.240 494 G C 0.494 175.526 174.900 0.220 0.000 1.270 494 G CA 0.909 46.145 45.100 0.226 0.000 0.901 494 G HN 1.984 nan 8.290 nan 0.000 0.507 495 A N 1.642 124.600 122.820 0.230 0.000 2.609 495 A HA 0.791 5.594 4.320 0.804 0.000 0.291 495 A C -1.716 176.051 177.584 0.306 0.000 1.096 495 A CA -0.671 51.520 52.037 0.257 0.000 0.684 495 A CB 1.825 20.919 19.000 0.158 0.000 1.282 495 A HN 1.290 nan 8.150 nan 0.000 0.412 496 F N 1.348 121.320 119.950 0.037 0.000 2.671 496 F HA 0.564 5.580 4.527 0.815 0.000 0.332 496 F C -0.283 175.394 175.800 -0.205 0.000 1.189 496 F CA -0.940 57.004 58.000 -0.094 0.000 0.988 496 F CB 1.297 40.208 39.000 -0.150 0.000 1.258 496 F HN 0.506 nan 8.300 nan 0.000 0.471 497 L N 5.973 126.776 121.223 -0.699 0.000 3.597 497 L HA -0.102 4.721 4.340 0.804 0.000 0.440 497 L C 1.112 177.761 176.870 -0.369 0.000 1.277 497 L CA 1.495 55.945 54.840 -0.649 0.000 0.852 497 L CB -1.434 40.028 42.059 -0.996 0.000 1.708 497 L HN 1.329 nan 8.230 nan 0.000 0.885 498 G N -2.090 106.592 108.800 -0.198 0.000 2.284 498 G HA2 -0.247 4.196 3.960 0.804 0.000 0.247 498 G HA3 -0.247 4.196 3.960 0.804 0.000 0.247 498 G C 0.210 175.072 174.900 -0.063 0.000 1.012 498 G CA 0.234 45.271 45.100 -0.104 0.000 0.618 498 G HN 0.489 nan 8.290 nan 0.000 0.521 499 D N 1.099 121.434 120.400 -0.109 0.000 2.232 499 D HA 0.491 5.613 4.640 0.804 0.000 0.242 499 D C 0.791 177.202 176.300 0.186 0.000 1.093 499 D CA -0.250 53.739 54.000 -0.017 0.000 0.845 499 D CB 1.245 41.941 40.800 -0.174 0.000 1.124 499 D HN 0.331 nan 8.370 nan 0.000 0.467 500 I N 2.231 122.927 120.570 0.209 0.000 2.496 500 I HA -0.022 4.631 4.170 0.804 0.000 0.285 500 I C 0.332 176.600 176.117 0.252 0.000 1.080 500 I CA -0.634 60.795 61.300 0.215 0.000 1.404 500 I CB 0.861 38.939 38.000 0.130 0.000 1.403 500 I HN 0.090 nan 8.210 nan 0.000 0.539 501 L N 8.303 129.608 121.223 0.137 0.000 2.295 501 L HA 0.265 5.087 4.340 0.804 0.000 0.288 501 L C -0.562 176.145 176.870 -0.272 0.000 1.079 501 L CA -0.134 54.508 54.840 -0.329 0.000 0.830 501 L CB 0.593 42.356 42.059 -0.493 0.000 1.200 501 L HN 0.408 nan 8.230 nan 0.000 0.438 502 L N 6.362 127.432 121.223 -0.255 0.000 2.278 502 L HA 0.390 5.213 4.340 0.804 0.000 0.287 502 L C -0.961 175.811 176.870 -0.163 0.000 1.072 502 L CA 0.271 55.051 54.840 -0.100 0.000 0.819 502 L CB 0.310 42.352 42.059 -0.027 0.000 1.176 502 L HN 0.472 nan 8.230 nan 0.000 0.435 503 Y N 2.546 122.873 120.300 0.044 0.000 2.453 503 Y HA 0.411 5.440 4.550 0.799 0.000 0.326 503 Y C 0.360 176.310 175.900 0.083 0.000 1.186 503 Y CA -0.621 57.506 58.100 0.045 0.000 1.200 503 Y CB 1.203 39.705 38.460 0.070 0.000 1.247 503 Y HN 0.751 nan 8.280 nan 0.000 0.482 504 D N -1.595 118.940 120.400 0.224 0.000 2.541 504 D HA 0.150 5.272 4.640 0.804 0.000 0.276 504 D C 1.100 177.462 176.300 0.102 0.000 1.190 504 D CA -0.053 54.035 54.000 0.147 0.000 1.095 504 D CB -0.245 40.609 40.800 0.091 0.000 1.173 504 D HN 0.365 nan 8.370 nan 0.000 0.604 505 S N -1.416 114.313 115.700 0.048 0.000 2.447 505 S HA -0.138 4.814 4.470 0.804 0.000 0.233 505 S C 1.729 176.319 174.600 -0.016 0.000 1.006 505 S CA 0.265 58.459 58.200 -0.010 0.000 0.957 505 S CB -0.386 62.807 63.200 -0.012 0.000 0.773 505 S HN 0.302 nan 8.310 nan 0.000 0.507 506 R N 1.137 121.649 120.500 0.020 0.000 2.096 506 R HA 0.115 4.937 4.340 0.804 0.000 0.235 506 R C 0.329 176.629 176.300 0.000 0.000 1.127 506 R CA 0.565 56.675 56.100 0.016 0.000 0.968 506 R CB -0.809 29.520 30.300 0.047 0.000 0.861 506 R HN 0.361 nan 8.270 nan 0.000 0.440 507 R N 1.097 121.616 120.500 0.032 0.000 3.261 507 R HA -0.137 4.685 4.340 0.804 0.000 0.257 507 R C -0.963 175.324 176.300 -0.022 0.000 1.014 507 R CA 0.639 56.694 56.100 -0.076 0.000 0.681 507 R CB -2.264 27.909 30.300 -0.212 0.000 1.155 507 R HN 0.517 nan 8.270 nan 0.000 0.424 508 E N -0.858 119.483 120.200 0.237 0.000 2.314 508 E HA 0.261 5.093 4.350 0.804 0.000 0.272 508 E C -2.028 174.779 176.600 0.345 0.000 0.884 508 E CA -2.206 54.349 56.400 0.257 0.000 0.753 508 E CB 1.936 31.724 29.700 0.146 0.000 1.213 508 E HN -0.250 nan 8.360 nan 0.000 0.432 509 P HA -0.244 nan 4.420 nan 0.000 0.216 509 P C 1.339 178.634 177.300 -0.009 0.000 1.154 509 P CA 1.772 64.946 63.100 0.123 0.000 0.865 509 P CB 0.126 31.940 31.700 0.191 0.000 0.789 510 G N -0.498 108.333 108.800 0.051 0.000 2.440 510 G HA2 -0.240 4.202 3.960 0.804 0.000 0.218 510 G HA3 -0.240 4.202 3.960 0.804 0.000 0.218 510 G C 1.293 176.185 174.900 -0.013 0.000 1.154 510 G CA 1.281 46.389 45.100 0.014 0.000 0.767 510 G HN 0.456 nan 8.290 nan 0.000 0.552 511 S N -0.481 115.226 115.700 0.013 0.000 2.583 511 S HA 0.727 5.679 4.470 0.804 0.000 0.239 511 S C 0.525 175.106 174.600 -0.032 0.000 0.966 511 S CA 0.146 58.347 58.200 0.002 0.000 0.973 511 S CB 0.466 63.688 63.200 0.036 0.000 0.794 511 S HN 0.581 nan 8.310 nan 0.000 0.463 512 A N 1.797 124.541 122.820 -0.126 0.000 2.330 512 A HA 0.912 5.714 4.320 0.804 0.000 0.329 512 A C -0.187 177.199 177.584 -0.330 0.000 1.135 512 A CA -1.154 50.715 52.037 -0.280 0.000 0.817 512 A CB 0.864 19.475 19.000 -0.648 0.000 1.269 512 A HN 0.835 nan 8.150 nan 0.000 0.469 513 I N -3.078 117.285 120.570 -0.345 0.000 3.074 513 I HA 0.666 5.319 4.170 0.804 0.000 0.310 513 I C -1.423 174.493 176.117 -0.335 0.000 1.153 513 I CA -0.937 60.190 61.300 -0.288 0.000 0.993 513 I CB 2.134 40.060 38.000 -0.123 0.000 1.237 513 I HN 0.497 nan 8.210 nan 0.000 0.443 514 F N 3.491 123.369 119.950 -0.119 0.000 2.405 514 F HA 0.574 5.582 4.527 0.801 0.000 0.355 514 F C 0.357 176.114 175.800 -0.073 0.000 1.121 514 F CA -0.652 57.291 58.000 -0.095 0.000 1.112 514 F CB 1.849 40.795 39.000 -0.089 0.000 1.126 514 F HN 0.385 nan 8.300 nan 0.000 0.481 515 V N 1.251 121.264 119.914 0.166 0.000 3.046 515 V HA 0.892 5.494 4.120 0.804 0.000 0.316 515 V C 0.251 176.387 176.094 0.071 0.000 1.104 515 V CA -0.941 61.406 62.300 0.079 0.000 1.006 515 V CB 1.090 32.947 31.823 0.056 0.000 1.058 515 V HN 0.743 nan 8.190 nan 0.000 0.440 516 G N 0.690 109.500 108.800 0.017 0.000 2.667 516 G HA2 0.215 4.658 3.960 0.804 0.000 0.250 516 G HA3 0.215 4.658 3.960 0.804 0.000 0.250 516 G C -0.189 174.799 174.900 0.146 0.000 1.212 516 G CA -0.366 44.729 45.100 -0.008 0.000 0.874 516 G HN 0.935 nan 8.290 nan 0.000 0.561 517 N N 0.385 119.207 118.700 0.205 0.000 2.439 517 N HA 0.077 5.300 4.740 0.804 0.000 0.249 517 N C 1.139 176.850 175.510 0.335 0.000 1.003 517 N CA -0.723 52.457 53.050 0.217 0.000 0.942 517 N CB 1.182 39.761 38.487 0.154 0.000 1.115 517 N HN 0.231 nan 8.380 nan 0.000 0.505 518 I N 4.356 125.082 120.570 0.261 0.000 2.361 518 I HA -0.182 4.471 4.170 0.804 0.000 0.251 518 I C 1.760 177.961 176.117 0.141 0.000 1.133 518 I CA 1.125 62.554 61.300 0.215 0.000 1.413 518 I CB -0.423 37.697 38.000 0.199 0.000 1.073 518 I HN 0.639 nan 8.210 nan 0.000 0.424 519 N N -0.424 118.350 118.700 0.125 0.000 2.223 519 N HA -0.157 5.065 4.740 0.804 0.000 0.185 519 N C 1.826 177.388 175.510 0.088 0.000 1.016 519 N CA 1.587 54.682 53.050 0.075 0.000 0.863 519 N CB -0.056 38.370 38.487 -0.101 0.000 0.983 519 N HN 0.305 nan 8.380 nan 0.000 0.429 520 S N -0.256 115.514 115.700 0.117 0.000 2.428 520 S HA -0.044 4.909 4.470 0.804 0.000 0.230 520 S C 1.762 176.395 174.600 0.056 0.000 1.014 520 S CA 0.534 58.819 58.200 0.142 0.000 0.957 520 S CB -0.191 63.154 63.200 0.240 0.000 0.784 520 S HN 0.446 nan 8.310 nan 0.000 0.499 521 M N 1.185 120.639 119.600 -0.242 0.000 2.099 521 M HA -0.061 4.902 4.480 0.804 0.000 0.262 521 M C 1.702 177.879 176.300 -0.206 0.000 1.067 521 M CA 1.496 56.398 55.300 -0.664 0.000 1.124 521 M CB -0.257 31.634 32.600 -1.183 0.000 1.353 521 M HN 0.272 nan 8.290 nan 0.000 0.410 522 L N 0.349 121.552 121.223 -0.034 0.000 2.046 522 L HA -0.269 4.553 4.340 0.804 0.000 0.208 522 L C 2.135 179.107 176.870 0.171 0.000 1.077 522 L CA 1.143 56.078 54.840 0.159 0.000 0.747 522 L CB -1.167 41.079 42.059 0.312 0.000 0.896 522 L HN 0.372 nan 8.230 nan 0.000 0.432 523 N N 0.427 119.212 118.700 0.141 0.000 2.120 523 N HA -0.186 5.037 4.740 0.804 0.000 0.188 523 N C 1.533 177.118 175.510 0.124 0.000 1.024 523 N CA 1.459 54.599 53.050 0.150 0.000 0.852 523 N CB -0.596 37.959 38.487 0.113 0.000 1.003 523 N HN 0.443 nan 8.380 nan 0.000 0.424 524 N N 0.410 119.162 118.700 0.086 0.000 2.244 524 N HA -0.070 5.152 4.740 0.804 0.000 0.183 524 N C 1.418 176.962 175.510 0.058 0.000 1.016 524 N CA 0.574 53.680 53.050 0.092 0.000 0.866 524 N CB 0.046 38.612 38.487 0.131 0.000 0.980 524 N HN 0.422 nan 8.380 nan 0.000 0.430 525 Q N -0.659 119.087 119.800 -0.091 0.000 2.250 525 Q HA 0.064 4.886 4.340 0.804 0.000 0.200 525 Q C 0.726 176.600 176.000 -0.210 0.000 0.941 525 Q CA 0.786 56.440 55.803 -0.248 0.000 0.872 525 Q CB 0.325 28.644 28.738 -0.698 0.000 0.965 525 Q HN 0.407 nan 8.270 nan 0.000 0.480 526 F N -1.305 118.912 119.950 0.444 0.000 2.724 526 F HA 0.237 5.246 4.527 0.804 0.000 0.306 526 F C 0.695 176.795 175.800 0.499 0.000 1.100 526 F CA -0.300 58.060 58.000 0.600 0.000 1.255 526 F CB 1.217 40.558 39.000 0.568 0.000 1.072 526 F HN -0.277 nan 8.300 nan 0.000 0.589 527 S N 1.492 117.434 115.700 0.404 0.000 2.474 527 S HA 0.216 5.168 4.470 0.804 0.000 0.224 527 S C -2.486 172.205 174.600 0.152 0.000 1.209 527 S CA -0.979 57.397 58.200 0.293 0.000 1.212 527 S CB 0.194 63.557 63.200 0.272 0.000 1.137 527 S HN -0.110 nan 8.310 nan 0.000 0.446 528 P HA 0.135 nan 4.420 nan 0.000 0.271 528 P C 0.323 177.616 177.300 -0.012 0.000 1.233 528 P CA -0.080 63.044 63.100 0.041 0.000 0.789 528 P CB 0.921 32.614 31.700 -0.011 0.000 0.951 529 E N -0.173 119.986 120.200 -0.069 0.000 2.299 529 E HA -0.053 4.780 4.350 0.804 0.000 0.193 529 E C -0.027 176.249 176.600 -0.541 0.000 0.998 529 E CA 1.091 57.293 56.400 -0.329 0.000 0.851 529 E CB -0.137 29.268 29.700 -0.492 0.000 0.795 529 E HN 0.525 nan 8.360 nan 0.000 0.492 530 Y N -0.363 119.922 120.300 -0.025 0.000 2.576 530 Y HA 0.488 5.520 4.550 0.804 0.000 0.346 530 Y C 0.842 176.700 175.900 -0.070 0.000 1.018 530 Y CA -1.123 56.950 58.100 -0.045 0.000 1.050 530 Y CB 1.349 39.783 38.460 -0.042 0.000 1.280 530 Y HN -0.172 nan 8.280 nan 0.000 0.474 531 G N -0.030 108.832 108.800 0.103 0.000 2.588 531 G HA2 0.337 4.779 3.960 0.804 0.000 0.278 531 G HA3 0.337 4.779 3.960 0.804 0.000 0.278 531 G C 0.753 175.647 174.900 -0.009 0.000 1.307 531 G CA -0.120 44.982 45.100 0.004 0.000 1.016 531 G HN 0.818 nan 8.290 nan 0.000 0.503 532 V N -3.036 116.852 119.914 -0.044 0.000 3.510 532 V HA 0.120 4.722 4.120 0.804 0.000 0.270 532 V C 0.879 176.938 176.094 -0.058 0.000 1.201 532 V CA 0.988 63.258 62.300 -0.049 0.000 1.166 532 V CB -1.517 30.289 31.823 -0.029 0.000 0.825 532 V HN 0.758 nan 8.190 nan 0.000 0.484 533 Q N 1.362 121.134 119.800 -0.048 0.000 2.437 533 Q HA -0.225 4.597 4.340 0.804 0.000 0.354 533 Q C 1.317 177.284 176.000 -0.056 0.000 1.402 533 Q CA 0.600 56.371 55.803 -0.054 0.000 1.020 533 Q CB -1.658 27.034 28.738 -0.077 0.000 1.220 533 Q HN 0.983 nan 8.270 nan 0.000 0.368 534 S N -2.052 113.624 115.700 -0.040 0.000 2.515 534 S HA -0.012 4.940 4.470 0.804 0.000 0.231 534 S C 1.654 176.237 174.600 -0.029 0.000 0.987 534 S CA 0.431 58.610 58.200 -0.035 0.000 0.936 534 S CB 0.314 63.503 63.200 -0.019 0.000 0.766 534 S HN 0.668 nan 8.310 nan 0.000 0.528 535 G N 0.979 109.762 108.800 -0.028 0.000 2.744 535 G HA2 0.218 4.660 3.960 0.804 0.000 0.211 535 G HA3 0.218 4.660 3.960 0.804 0.000 0.211 535 G C 0.222 175.106 174.900 -0.026 0.000 1.143 535 G CA -0.100 44.986 45.100 -0.023 0.000 0.788 535 G HN 0.430 nan 8.290 nan 0.000 0.534 536 V N 2.192 122.083 119.914 -0.039 0.000 2.334 536 V HA 0.222 4.824 4.120 0.804 0.000 0.267 536 V C 1.220 177.293 176.094 -0.035 0.000 1.040 536 V CA -0.895 61.380 62.300 -0.043 0.000 0.866 536 V CB 1.168 32.951 31.823 -0.066 0.000 1.019 536 V HN 0.166 nan 8.190 nan 0.000 0.468 537 R N 2.138 122.631 120.500 -0.012 0.000 2.080 537 R HA -0.084 4.738 4.340 0.804 0.000 0.236 537 R C 0.932 177.261 176.300 0.049 0.000 1.137 537 R CA 0.937 57.045 56.100 0.015 0.000 0.943 537 R CB -0.399 29.911 30.300 0.017 0.000 0.846 537 R HN 0.731 nan 8.270 nan 0.000 0.431 538 D N 1.457 121.886 120.400 0.047 0.000 2.348 538 D HA 0.009 5.131 4.640 0.804 0.000 0.259 538 D C 0.799 177.091 176.300 -0.012 0.000 1.296 538 D CA 0.118 54.184 54.000 0.109 0.000 0.931 538 D CB 0.397 41.245 40.800 0.080 0.000 1.067 538 D HN 0.030 nan 8.370 nan 0.000 0.503 539 R N 1.577 122.021 120.500 -0.094 0.000 2.127 539 R HA -0.151 4.672 4.340 0.804 0.000 0.238 539 R C 2.152 178.142 176.300 -0.517 0.000 1.134 539 R CA 1.433 57.258 56.100 -0.459 0.000 0.975 539 R CB -0.240 29.553 30.300 -0.845 0.000 0.865 539 R HN 0.475 nan 8.270 nan 0.000 0.447 540 S N 0.993 116.445 115.700 -0.414 0.000 2.442 540 S HA -0.122 4.830 4.470 0.804 0.000 0.236 540 S C 1.583 176.090 174.600 -0.156 0.000 1.007 540 S CA 1.024 59.079 58.200 -0.242 0.000 0.965 540 S CB -0.007 63.173 63.200 -0.032 0.000 0.773 540 S HN 0.290 nan 8.310 nan 0.000 0.504 541 K N 0.505 120.827 120.400 -0.130 0.000 2.426 541 K HA 0.191 4.994 4.320 0.804 0.000 0.193 541 K C 0.592 177.102 176.600 -0.150 0.000 1.028 541 K CA -0.081 56.139 56.287 -0.111 0.000 1.047 541 K CB 0.191 32.648 32.500 -0.072 0.000 0.821 541 K HN 0.405 nan 8.250 nan 0.000 0.513 542 R N 1.024 121.406 120.500 -0.196 0.000 2.679 542 R HA 0.102 4.925 4.340 0.804 0.000 0.269 542 R C 1.090 177.254 176.300 -0.228 0.000 1.076 542 R CA -0.275 55.699 56.100 -0.209 0.000 1.160 542 R CB 0.431 30.590 30.300 -0.234 0.000 1.054 542 R HN -0.138 nan 8.270 nan 0.000 0.507 543 K N 1.676 121.911 120.400 -0.274 0.000 2.217 543 K HA -0.068 4.734 4.320 0.804 0.000 0.202 543 K C 0.422 176.911 176.600 -0.186 0.000 1.051 543 K CA 1.274 57.350 56.287 -0.351 0.000 0.952 543 K CB 0.133 32.154 32.500 -0.799 0.000 0.736 543 K HN 0.404 nan 8.250 nan 0.000 0.453 544 R N 0.531 120.943 120.500 -0.147 0.000 2.494 544 R HA 0.166 4.988 4.340 0.804 0.000 0.284 544 R C -2.139 174.050 176.300 -0.184 0.000 1.525 544 R CA -1.429 54.619 56.100 -0.087 0.000 1.460 544 R CB 1.146 31.434 30.300 -0.021 0.000 1.134 544 R HN -0.114 nan 8.270 nan 0.000 0.592 545 P HA -0.167 nan 4.420 nan 0.000 0.215 545 P C -0.275 176.426 177.300 -0.997 0.000 1.157 545 P CA 1.422 64.122 63.100 -0.667 0.000 0.874 545 P CB 0.241 31.582 31.700 -0.599 0.000 0.790 546 F N -3.700 116.208 119.950 -0.071 0.000 2.710 546 F HA 0.341 5.350 4.527 0.804 0.000 0.345 546 F C -1.880 173.924 175.800 0.006 0.000 1.362 546 F CA -2.024 55.949 58.000 -0.045 0.000 1.175 546 F CB 0.964 39.929 39.000 -0.058 0.000 1.561 546 F HN -0.099 nan 8.300 nan 0.000 0.593 547 P HA -0.212 nan 4.420 nan 0.000 0.218 547 P C 1.938 179.337 177.300 0.165 0.000 1.152 547 P CA 1.852 65.056 63.100 0.172 0.000 0.857 547 P CB 0.228 32.058 31.700 0.217 0.000 0.787 548 G N -0.413 108.448 108.800 0.102 0.000 2.448 548 G HA2 -0.218 4.224 3.960 0.804 0.000 0.219 548 G HA3 -0.218 4.224 3.960 0.804 0.000 0.219 548 G C 1.413 176.365 174.900 0.086 0.000 1.127 548 G CA 0.440 45.553 45.100 0.021 0.000 0.766 548 G HN 0.260 nan 8.290 nan 0.000 0.552 549 L N 0.555 121.848 121.223 0.117 0.000 2.131 549 L HA -0.039 4.783 4.340 0.804 0.000 0.210 549 L C 3.285 180.235 176.870 0.134 0.000 1.092 549 L CA 0.799 55.700 54.840 0.102 0.000 0.759 549 L CB -0.515 41.585 42.059 0.067 0.000 0.903 549 L HN 0.282 nan 8.230 nan 0.000 0.435 550 A N -0.334 122.588 122.820 0.169 0.000 2.131 550 A HA -0.258 4.544 4.320 0.804 0.000 0.220 550 A C 2.151 179.860 177.584 0.209 0.000 1.158 550 A CA 1.139 53.288 52.037 0.187 0.000 0.665 550 A CB -0.908 18.222 19.000 0.217 0.000 0.795 550 A HN 0.716 nan 8.150 nan 0.000 0.460 551 W N 0.322 121.627 121.300 0.008 0.000 2.402 551 W HA -0.102 5.041 4.660 0.805 0.000 0.286 551 W C 2.091 178.617 176.519 0.013 0.000 1.221 551 W CA 1.304 58.640 57.345 -0.014 0.000 1.257 551 W CB -0.033 29.366 29.460 -0.103 0.000 1.120 551 W HN 0.430 nan 8.180 nan 0.000 0.551 552 A N 0.018 122.874 122.820 0.060 0.000 2.119 552 A HA -0.116 4.686 4.320 0.804 0.000 0.216 552 A C 1.789 179.336 177.584 -0.062 0.000 1.152 552 A CA 1.673 53.694 52.037 -0.027 0.000 0.708 552 A CB -0.744 18.265 19.000 0.016 0.000 0.805 552 A HN 0.272 nan 8.150 nan 0.000 0.460 553 S N -1.726 113.956 115.700 -0.029 0.000 2.539 553 S HA 0.161 5.114 4.470 0.804 0.000 0.221 553 S C 1.601 176.197 174.600 -0.008 0.000 0.987 553 S CA 0.460 58.642 58.200 -0.029 0.000 0.929 553 S CB -0.359 62.839 63.200 -0.002 0.000 0.832 553 S HN 0.497 nan 8.310 nan 0.000 0.492 554 M N 1.826 121.415 119.600 -0.018 0.000 2.065 554 M HA -0.142 4.820 4.480 0.804 0.000 0.259 554 M C 2.166 178.520 176.300 0.090 0.000 1.069 554 M CA 2.050 57.406 55.300 0.094 0.000 1.110 554 M CB -0.214 32.315 32.600 -0.119 0.000 1.328 554 M HN 0.294 nan 8.290 nan 0.000 0.405 555 K N 0.778 121.146 120.400 -0.052 0.000 2.032 555 K HA -0.209 4.594 4.320 0.804 0.000 0.209 555 K C 1.716 178.192 176.600 -0.208 0.000 1.048 555 K CA 2.198 58.388 56.287 -0.161 0.000 0.927 555 K CB -0.710 31.719 32.500 -0.118 0.000 0.712 555 K HN 0.469 nan 8.250 nan 0.000 0.441 556 D N -0.900 119.415 120.400 -0.142 0.000 2.104 556 D HA -0.139 4.983 4.640 0.804 0.000 0.194 556 D C 1.407 177.597 176.300 -0.184 0.000 0.994 556 D CA 1.800 55.712 54.000 -0.147 0.000 0.830 556 D CB 0.124 40.852 40.800 -0.120 0.000 0.959 556 D HN 0.322 nan 8.370 nan 0.000 0.452 557 T N -0.964 113.467 114.554 -0.206 0.000 2.851 557 T HA -0.107 4.725 4.350 0.804 0.000 0.262 557 T C 1.313 175.670 174.700 -0.573 0.000 1.043 557 T CA 0.926 62.778 62.100 -0.413 0.000 1.140 557 T CB -0.154 68.396 68.868 -0.530 0.000 0.872 557 T HN 0.242 nan 8.240 nan 0.000 0.446 558 Y N 0.162 120.405 120.300 -0.096 0.000 2.481 558 Y HA 0.421 5.453 4.550 0.804 0.000 0.247 558 Y C 2.364 178.011 175.900 -0.422 0.000 1.151 558 Y CA -0.694 57.347 58.100 -0.098 0.000 1.238 558 Y CB -0.343 38.196 38.460 0.132 0.000 1.179 558 Y HN 0.193 nan 8.280 nan 0.000 0.524 559 G N 0.889 109.334 108.800 -0.592 0.000 2.503 559 G HA2 -0.336 4.107 3.960 0.804 0.000 0.221 559 G HA3 -0.336 4.107 3.960 0.804 0.000 0.221 559 G C 1.792 176.444 174.900 -0.413 0.000 1.131 559 G CA 1.165 45.742 45.100 -0.872 0.000 0.756 559 G HN 0.444 nan 8.290 nan 0.000 0.572 560 A N -0.703 121.992 122.820 -0.208 0.000 2.209 560 A HA 0.212 5.015 4.320 0.804 0.000 0.212 560 A C 1.182 178.757 177.584 -0.015 0.000 1.158 560 A CA 0.308 52.292 52.037 -0.087 0.000 0.742 560 A CB -0.582 18.383 19.000 -0.059 0.000 0.790 560 A HN 0.356 nan 8.150 nan 0.000 0.472 561 C N 0.903 120.217 119.300 0.023 0.000 2.651 561 C HA 0.211 5.154 4.460 0.804 0.000 0.410 561 C C -0.547 174.503 174.990 0.101 0.000 1.372 561 C CA -0.693 58.385 59.018 0.099 0.000 1.707 561 C CB 0.098 27.951 27.740 0.190 0.000 2.501 561 C HN 0.435 nan 8.230 nan 0.000 0.598 562 P HA -0.201 nan 4.420 nan 0.000 0.219 562 P C 1.022 178.367 177.300 0.074 0.000 1.158 562 P CA 1.688 64.833 63.100 0.075 0.000 0.895 562 P CB -0.086 31.656 31.700 0.071 0.000 0.792 563 I N -5.799 114.783 120.570 0.019 0.000 3.855 563 I HA 0.122 4.775 4.170 0.804 0.000 0.327 563 I C 1.900 177.998 176.117 -0.031 0.000 1.359 563 I CA -0.277 60.962 61.300 -0.102 0.000 1.142 563 I CB -0.838 36.856 38.000 -0.510 0.000 1.041 563 I HN -0.118 nan 8.210 nan 0.000 0.403 564 Y N 2.274 122.552 120.300 -0.036 0.000 2.002 564 Y HA -0.381 4.651 4.550 0.804 0.000 0.268 564 Y C 2.688 178.588 175.900 0.001 0.000 1.177 564 Y CA 2.577 60.676 58.100 -0.001 0.000 1.111 564 Y CB -0.261 38.220 38.460 0.035 0.000 0.952 564 Y HN 0.281 nan 8.280 nan 0.000 0.491 565 S N 0.272 116.004 115.700 0.053 0.000 2.383 565 S HA -0.238 4.714 4.470 0.804 0.000 0.229 565 S C 1.315 175.887 174.600 -0.046 0.000 1.030 565 S CA 1.694 59.864 58.200 -0.051 0.000 1.002 565 S CB -0.585 62.669 63.200 0.090 0.000 0.829 565 S HN 0.616 nan 8.310 nan 0.000 0.467 566 D N 0.644 121.044 120.400 0.000 0.000 2.178 566 D HA -0.053 5.070 4.640 0.804 0.000 0.201 566 D C 1.836 178.143 176.300 0.011 0.000 0.980 566 D CA 0.634 54.673 54.000 0.066 0.000 0.842 566 D CB -0.213 40.686 40.800 0.165 0.000 0.948 566 D HN 0.193 nan 8.370 nan 0.000 0.472 567 V N 0.463 120.306 119.914 -0.119 0.000 2.323 567 V HA -0.159 4.444 4.120 0.804 0.000 0.244 567 V C 2.391 178.456 176.094 -0.048 0.000 1.041 567 V CA 1.047 63.285 62.300 -0.104 0.000 1.025 567 V CB -0.432 31.308 31.823 -0.138 0.000 0.656 567 V HN 0.237 nan 8.190 nan 0.000 0.451 568 L N -0.244 120.898 121.223 -0.135 0.000 2.013 568 L HA -0.251 4.571 4.340 0.804 0.000 0.212 568 L C 2.624 179.529 176.870 0.059 0.000 1.073 568 L CA 1.908 56.717 54.840 -0.052 0.000 0.753 568 L CB -0.565 41.371 42.059 -0.205 0.000 0.890 568 L HN 0.417 nan 8.230 nan 0.000 0.432 569 E N -0.325 119.896 120.200 0.035 0.000 2.072 569 E HA -0.199 4.634 4.350 0.804 0.000 0.191 569 E C 2.270 178.903 176.600 0.056 0.000 0.985 569 E CA 1.043 57.486 56.400 0.070 0.000 0.801 569 E CB -0.137 29.600 29.700 0.062 0.000 0.750 569 E HN 0.511 nan 8.360 nan 0.000 0.452 570 A N 1.179 124.013 122.820 0.024 0.000 1.933 570 A HA -0.161 4.641 4.320 0.804 0.000 0.218 570 A C 2.140 179.726 177.584 0.003 0.000 1.175 570 A CA 0.924 52.914 52.037 -0.079 0.000 0.628 570 A CB -0.518 18.461 19.000 -0.035 0.000 0.814 570 A HN 0.127 nan 8.150 nan 0.000 0.444 571 I N -0.796 119.830 120.570 0.093 0.000 2.127 571 I HA -0.277 4.375 4.170 0.804 0.000 0.241 571 I C 2.587 178.894 176.117 0.317 0.000 1.075 571 I CA 1.941 63.366 61.300 0.208 0.000 1.334 571 I CB -0.295 37.814 38.000 0.182 0.000 1.040 571 I HN 0.413 nan 8.210 nan 0.000 0.405 572 E N 1.080 121.447 120.200 0.278 0.000 2.070 572 E HA -0.287 4.545 4.350 0.804 0.000 0.197 572 E C 2.282 179.159 176.600 0.461 0.000 1.004 572 E CA 1.610 58.232 56.400 0.369 0.000 0.805 572 E CB -0.173 29.724 29.700 0.327 0.000 0.744 572 E HN 0.199 nan 8.360 nan 0.000 0.451 573 R N -0.654 120.029 120.500 0.304 0.000 2.081 573 R HA -0.107 4.715 4.340 0.804 0.000 0.235 573 R C 2.183 178.653 176.300 0.284 0.000 1.131 573 R CA 1.690 57.940 56.100 0.250 0.000 0.960 573 R CB -0.569 29.752 30.300 0.034 0.000 0.856 573 R HN 0.342 nan 8.270 nan 0.000 0.436 574 C N -0.459 118.992 119.300 0.253 0.000 2.446 574 C HA -0.034 4.908 4.460 0.804 0.000 0.279 574 C C 2.288 177.625 174.990 0.578 0.000 1.366 574 C CA -0.216 58.975 59.018 0.289 0.000 1.763 574 C CB -1.238 26.537 27.740 0.058 0.000 1.929 574 C HN 0.673 nan 8.230 nan 0.000 0.509 575 W N -0.269 121.273 121.300 0.403 0.000 2.418 575 W HA -0.093 5.049 4.660 0.804 0.000 0.292 575 W C 2.150 178.754 176.519 0.142 0.000 1.213 575 W CA 0.910 58.353 57.345 0.163 0.000 1.283 575 W CB -0.602 28.804 29.460 -0.089 0.000 1.119 575 W HN 0.444 nan 8.180 nan 0.000 0.542 576 W N 1.305 122.816 121.300 0.352 0.000 2.335 576 W HA -0.259 4.883 4.660 0.804 0.000 0.311 576 W C 2.282 178.854 176.519 0.090 0.000 1.213 576 W CA 1.690 59.155 57.345 0.200 0.000 1.274 576 W CB -0.872 28.678 29.460 0.150 0.000 1.148 576 W HN -0.195 nan 8.180 nan 0.000 0.498 577 N N -0.211 118.684 118.700 0.326 0.000 2.223 577 N HA -0.140 5.083 4.740 0.804 0.000 0.185 577 N C 1.559 177.076 175.510 0.011 0.000 1.016 577 N CA 1.849 54.992 53.050 0.156 0.000 0.863 577 N CB -0.968 37.581 38.487 0.103 0.000 0.983 577 N HN 0.180 nan 8.380 nan 0.000 0.429 578 A N -0.812 121.968 122.820 -0.066 0.000 1.943 578 A HA 0.183 4.986 4.320 0.804 0.000 0.213 578 A C 1.292 178.441 177.584 -0.725 0.000 1.181 578 A CA 0.547 52.351 52.037 -0.389 0.000 0.653 578 A CB -0.174 18.570 19.000 -0.425 0.000 0.833 578 A HN 0.203 nan 8.150 nan 0.000 0.451 579 F N -1.085 118.598 119.950 -0.445 0.000 2.706 579 F HA 0.368 5.377 4.527 0.804 0.000 0.313 579 F C 1.646 177.251 175.800 -0.326 0.000 1.096 579 F CA 0.322 58.029 58.000 -0.488 0.000 1.219 579 F CB 0.483 38.953 39.000 -0.883 0.000 1.051 579 F HN 0.294 nan 8.300 nan 0.000 0.568 580 G N 1.315 110.066 108.800 -0.082 0.000 2.283 580 G HA2 -0.243 4.199 3.960 0.804 0.000 0.280 580 G HA3 -0.243 4.199 3.960 0.804 0.000 0.280 580 G C -0.086 174.503 174.900 -0.519 0.000 1.029 580 G CA 0.424 45.501 45.100 -0.037 0.000 0.840 580 G HN 0.365 nan 8.290 nan 0.000 0.505 581 E N -1.149 118.475 120.200 -0.959 0.000 2.449 581 E HA 0.528 5.360 4.350 0.804 0.000 0.278 581 E C -0.698 175.155 176.600 -1.246 0.000 0.992 581 E CA -0.540 55.282 56.400 -0.962 0.000 0.807 581 E CB 1.440 30.958 29.700 -0.304 0.000 1.350 581 E HN 0.350 nan 8.360 nan 0.000 0.462 582 S N 0.325 115.648 115.700 -0.627 0.000 2.452 582 S HA 0.130 5.082 4.470 0.804 0.000 0.284 582 S C 0.497 174.987 174.600 -0.183 0.000 1.171 582 S CA -0.416 57.645 58.200 -0.231 0.000 1.064 582 S CB 0.190 63.454 63.200 0.106 0.000 0.967 582 S HN 0.673 nan 8.310 nan 0.000 0.484 583 Y N 5.613 125.697 120.300 -0.361 0.000 2.181 583 Y HA -0.109 4.923 4.550 0.804 0.000 0.288 583 Y C 2.498 178.091 175.900 -0.512 0.000 1.146 583 Y CA 2.007 59.623 58.100 -0.807 0.000 1.164 583 Y CB -0.163 37.748 38.460 -0.917 0.000 0.982 583 Y HN 0.814 nan 8.280 nan 0.000 0.515 584 R N 0.504 120.820 120.500 -0.307 0.000 2.103 584 R HA -0.224 4.599 4.340 0.804 0.000 0.242 584 R C 2.283 178.329 176.300 -0.423 0.000 1.142 584 R CA 1.603 57.522 56.100 -0.302 0.000 0.960 584 R CB -0.634 29.724 30.300 0.097 0.000 0.858 584 R HN 0.451 nan 8.270 nan 0.000 0.439 585 A N -0.039 122.631 122.820 -0.250 0.000 1.898 585 A HA -0.203 4.600 4.320 0.804 0.000 0.216 585 A C 2.020 179.409 177.584 -0.326 0.000 1.181 585 A CA 1.272 53.184 52.037 -0.209 0.000 0.620 585 A CB -0.892 18.060 19.000 -0.081 0.000 0.819 585 A HN 0.644 nan 8.150 nan 0.000 0.442 586 Y N 0.714 120.688 120.300 -0.544 0.000 2.128 586 Y HA -0.239 4.793 4.550 0.804 0.000 0.284 586 Y C 2.376 177.808 175.900 -0.779 0.000 1.154 586 Y CA 2.173 59.917 58.100 -0.593 0.000 1.149 586 Y CB -0.145 37.924 38.460 -0.652 0.000 0.976 586 Y HN 0.169 nan 8.280 nan 0.000 0.505 587 R N 0.701 120.453 120.500 -1.246 0.000 2.092 587 R HA -0.108 4.714 4.340 0.804 0.000 0.231 587 R C 2.177 177.796 176.300 -1.135 0.000 1.119 587 R CA 1.551 56.720 56.100 -1.551 0.000 0.970 587 R CB -0.800 27.899 30.300 -2.667 0.000 0.864 587 R HN 0.531 nan 8.270 nan 0.000 0.440 588 E N 0.596 120.287 120.200 -0.848 0.000 2.085 588 E HA -0.166 4.667 4.350 0.804 0.000 0.194 588 E C 1.383 177.791 176.600 -0.319 0.000 0.994 588 E CA 1.442 57.600 56.400 -0.404 0.000 0.801 588 E CB 0.024 29.607 29.700 -0.196 0.000 0.743 588 E HN 0.276 nan 8.360 nan 0.000 0.453 589 D N 0.116 120.297 120.400 -0.365 0.000 2.097 589 D HA -0.170 4.952 4.640 0.804 0.000 0.197 589 D C 1.890 178.007 176.300 -0.305 0.000 0.984 589 D CA 0.881 54.714 54.000 -0.279 0.000 0.826 589 D CB -0.246 40.402 40.800 -0.254 0.000 0.973 589 D HN 0.174 nan 8.370 nan 0.000 0.460 590 M N 0.526 119.841 119.600 -0.475 0.000 2.108 590 M HA -0.137 4.825 4.480 0.804 0.000 0.261 590 M C 2.146 178.302 176.300 -0.242 0.000 1.066 590 M CA 1.008 56.062 55.300 -0.410 0.000 1.107 590 M CB 0.019 32.243 32.600 -0.627 0.000 1.356 590 M HN 0.024 nan 8.290 nan 0.000 0.406 591 L N 0.162 121.237 121.223 -0.246 0.000 2.046 591 L HA -0.278 4.544 4.340 0.804 0.000 0.208 591 L C 2.220 179.051 176.870 -0.065 0.000 1.077 591 L CA 1.732 56.517 54.840 -0.092 0.000 0.747 591 L CB -0.415 41.639 42.059 -0.007 0.000 0.896 591 L HN 0.345 nan 8.230 nan 0.000 0.432 592 K N -0.497 119.850 120.400 -0.089 0.000 2.026 592 K HA -0.212 4.590 4.320 0.804 0.000 0.208 592 K C 2.179 178.750 176.600 -0.049 0.000 1.048 592 K CA 1.379 57.630 56.287 -0.060 0.000 0.929 592 K CB -0.136 32.326 32.500 -0.064 0.000 0.713 592 K HN 0.274 nan 8.250 nan 0.000 0.439 593 R N 0.920 121.382 120.500 -0.064 0.000 2.083 593 R HA -0.149 4.673 4.340 0.804 0.000 0.237 593 R C 1.859 178.166 176.300 0.012 0.000 1.137 593 R CA 1.884 57.964 56.100 -0.032 0.000 0.951 593 R CB -0.108 30.160 30.300 -0.053 0.000 0.851 593 R HN 0.177 nan 8.270 nan 0.000 0.434 594 D N -0.906 119.505 120.400 0.020 0.000 2.219 594 D HA -0.082 5.041 4.640 0.804 0.000 0.205 594 D C 1.657 177.963 176.300 0.010 0.000 0.970 594 D CA 1.218 55.279 54.000 0.102 0.000 0.851 594 D CB -0.159 40.733 40.800 0.153 0.000 0.943 594 D HN 0.210 nan 8.370 nan 0.000 0.488 595 T N 0.890 115.425 114.554 -0.033 0.000 2.788 595 T HA -0.061 4.771 4.350 0.804 0.000 0.268 595 T C 2.160 176.823 174.700 -0.062 0.000 1.044 595 T CA 0.600 62.656 62.100 -0.075 0.000 1.139 595 T CB -0.074 68.763 68.868 -0.052 0.000 0.867 595 T HN 0.157 nan 8.240 nan 0.000 0.454 596 L N 0.419 121.630 121.223 -0.019 0.000 2.131 596 L HA 0.035 4.858 4.340 0.804 0.000 0.206 596 L C 2.752 179.644 176.870 0.038 0.000 1.087 596 L CA 0.957 55.797 54.840 -0.000 0.000 0.767 596 L CB -0.424 41.639 42.059 0.006 0.000 0.917 596 L HN 0.133 nan 8.230 nan 0.000 0.441 597 E N 0.785 121.039 120.200 0.090 0.000 2.153 597 E HA -0.225 4.607 4.350 0.804 0.000 0.194 597 E C 1.986 178.751 176.600 0.275 0.000 0.988 597 E CA 0.943 57.476 56.400 0.222 0.000 0.811 597 E CB -0.202 29.687 29.700 0.316 0.000 0.746 597 E HN 0.247 nan 8.360 nan 0.000 0.466 598 L N 0.480 121.680 121.223 -0.040 0.000 2.083 598 L HA -0.156 4.666 4.340 0.804 0.000 0.209 598 L C 2.144 178.992 176.870 -0.036 0.000 1.083 598 L CA 2.250 56.884 54.840 -0.343 0.000 0.752 598 L CB -0.866 40.795 42.059 -0.664 0.000 0.899 598 L HN 0.240 nan 8.230 nan 0.000 0.433 599 S N -0.797 114.889 115.700 -0.024 0.000 2.442 599 S HA -0.268 4.684 4.470 0.804 0.000 0.236 599 S C 2.147 176.756 174.600 0.014 0.000 1.007 599 S CA 1.104 59.298 58.200 -0.010 0.000 0.965 599 S CB -0.823 62.364 63.200 -0.022 0.000 0.773 599 S HN 0.638 nan 8.310 nan 0.000 0.504 600 R N -0.525 120.004 120.500 0.048 0.000 2.280 600 R HA 0.024 4.846 4.340 0.804 0.000 0.207 600 R C 0.927 177.084 176.300 -0.239 0.000 1.043 600 R CA 0.889 56.941 56.100 -0.080 0.000 1.006 600 R CB -0.120 30.122 30.300 -0.098 0.000 0.885 600 R HN 0.576 nan 8.270 nan 0.000 0.467 601 Y N -1.141 119.180 120.300 0.035 0.000 2.535 601 Y HA 0.215 5.248 4.550 0.804 0.000 0.266 601 Y C 0.444 176.354 175.900 0.017 0.000 1.088 601 Y CA -0.201 57.933 58.100 0.056 0.000 1.285 601 Y CB 0.870 39.416 38.460 0.144 0.000 1.166 601 Y HN -0.249 nan 8.280 nan 0.000 0.525 602 V N 1.077 121.060 119.914 0.115 0.000 2.406 602 V HA 0.340 4.942 4.120 0.804 0.000 0.272 602 V C 0.959 177.061 176.094 0.014 0.000 1.043 602 V CA -0.089 62.240 62.300 0.047 0.000 0.915 602 V CB 0.760 32.584 31.823 0.002 0.000 0.988 602 V HN 0.354 nan 8.190 nan 0.000 0.466 603 A N 4.657 127.484 122.820 0.012 0.000 1.834 603 A HA -0.127 4.675 4.320 0.804 0.000 0.216 603 A C 2.274 179.853 177.584 -0.008 0.000 1.203 603 A CA 2.064 54.100 52.037 -0.001 0.000 0.621 603 A CB -0.930 18.072 19.000 0.003 0.000 0.841 603 A HN 1.086 nan 8.150 nan 0.000 0.446 604 S N -0.680 115.015 115.700 -0.008 0.000 2.559 604 S HA -0.021 4.931 4.470 0.804 0.000 0.250 604 S C 0.699 175.287 174.600 -0.020 0.000 0.977 604 S CA 0.825 59.016 58.200 -0.015 0.000 0.958 604 S CB -0.658 62.532 63.200 -0.016 0.000 0.751 604 S HN 0.459 nan 8.310 nan 0.000 0.534 605 M N 1.780 121.368 119.600 -0.021 0.000 2.180 605 M HA 0.537 5.499 4.480 0.804 0.000 0.350 605 M C 0.348 176.634 176.300 -0.024 0.000 1.125 605 M CA -0.476 54.808 55.300 -0.027 0.000 1.031 605 M CB 1.593 34.172 32.600 -0.035 0.000 1.623 605 M HN 0.236 nan 8.290 nan 0.000 0.451 606 A N 3.056 125.862 122.820 -0.024 0.000 2.448 606 A HA 0.192 4.994 4.320 0.804 0.000 0.239 606 A C 0.555 178.125 177.584 -0.022 0.000 1.080 606 A CA -0.160 51.864 52.037 -0.022 0.000 0.779 606 A CB 0.204 19.192 19.000 -0.020 0.000 1.026 606 A HN 0.923 nan 8.150 nan 0.000 0.499 607 R N 0.108 120.596 120.500 -0.020 0.000 2.808 607 R HA -0.001 4.821 4.340 0.804 0.000 0.215 607 R C 0.126 176.417 176.300 -0.017 0.000 1.569 607 R CA 0.976 57.065 56.100 -0.018 0.000 1.396 607 R CB -0.403 29.886 30.300 -0.018 0.000 1.048 607 R HN 0.785 nan 8.270 nan 0.000 0.501 608 Q N -2.077 117.711 119.800 -0.020 0.000 1.294 608 Q HA 0.068 4.890 4.340 0.804 0.000 0.127 608 Q C -1.004 174.981 176.000 -0.025 0.000 0.753 608 Q CA -0.067 55.724 55.803 -0.021 0.000 0.608 608 Q CB 0.143 28.871 28.738 -0.017 0.000 1.112 608 Q HN 0.396 nan 8.270 nan 0.000 0.318 609 A N 0.579 123.383 122.820 -0.027 0.000 2.498 609 A HA 0.598 5.401 4.320 0.804 0.000 0.239 609 A C 0.903 178.466 177.584 -0.035 0.000 1.068 609 A CA 0.815 52.835 52.037 -0.029 0.000 0.766 609 A CB 0.238 19.221 19.000 -0.029 0.000 1.003 609 A HN 0.293 nan 8.150 nan 0.000 0.497 610 G N -0.285 108.495 108.800 -0.033 0.000 2.583 610 G HA2 0.361 4.804 3.960 0.804 0.000 0.275 610 G HA3 0.361 4.804 3.960 0.804 0.000 0.275 610 G C 0.630 175.502 174.900 -0.047 0.000 1.342 610 G CA -0.550 44.528 45.100 -0.037 0.000 1.030 610 G HN 0.720 nan 8.290 nan 0.000 0.520 611 L N 0.796 121.990 121.223 -0.048 0.000 2.599 611 L HA 0.080 4.903 4.340 0.804 0.000 0.230 611 L C 3.001 179.840 176.870 -0.053 0.000 1.141 611 L CA 0.461 55.266 54.840 -0.057 0.000 0.877 611 L CB -0.485 41.543 42.059 -0.053 0.000 1.009 611 L HN 0.655 nan 8.230 nan 0.000 0.447 612 A N 0.925 123.719 122.820 -0.045 0.000 1.916 612 A HA -0.303 4.500 4.320 0.804 0.000 0.224 612 A C 2.199 179.754 177.584 -0.048 0.000 1.366 612 A CA 2.271 54.283 52.037 -0.042 0.000 0.692 612 A CB -0.389 18.589 19.000 -0.036 0.000 0.841 612 A HN 0.447 nan 8.150 nan 0.000 0.480 613 E N -0.279 119.891 120.200 -0.050 0.000 2.285 613 E HA 0.057 4.889 4.350 0.804 0.000 0.194 613 E C 0.502 177.063 176.600 -0.065 0.000 0.997 613 E CA 0.079 56.447 56.400 -0.054 0.000 0.845 613 E CB -0.350 29.321 29.700 -0.048 0.000 0.782 613 E HN 0.683 nan 8.360 nan 0.000 0.491 614 L N 2.318 123.499 121.223 -0.070 0.000 2.380 614 L HA 0.096 4.919 4.340 0.804 0.000 0.273 614 L C 1.068 177.881 176.870 -0.095 0.000 1.138 614 L CA -0.306 54.484 54.840 -0.083 0.000 0.832 614 L CB 0.340 42.347 42.059 -0.085 0.000 1.124 614 L HN -0.038 nan 8.230 nan 0.000 0.454 615 T N -0.517 113.966 114.554 -0.118 0.000 2.849 615 T HA 0.258 5.090 4.350 0.804 0.000 0.284 615 T C -1.850 172.754 174.700 -0.159 0.000 1.004 615 T CA -1.739 60.275 62.100 -0.144 0.000 1.021 615 T CB 1.468 70.227 68.868 -0.181 0.000 1.013 615 T HN 0.318 nan 8.240 nan 0.000 0.527 616 P HA -0.037 nan 4.420 nan 0.000 0.216 616 P C 1.643 178.811 177.300 -0.222 0.000 1.153 616 P CA 1.005 64.010 63.100 -0.158 0.000 0.858 616 P CB -0.102 31.503 31.700 -0.158 0.000 0.789 617 I N -0.380 119.956 120.570 -0.389 0.000 2.163 617 I HA -0.266 4.386 4.170 0.804 0.000 0.243 617 I C 1.888 177.767 176.117 -0.396 0.000 1.085 617 I CA 1.574 62.459 61.300 -0.692 0.000 1.347 617 I CB -0.714 36.696 38.000 -0.983 0.000 1.044 617 I HN -0.022 nan 8.210 nan 0.000 0.408 618 D N 0.821 121.066 120.400 -0.258 0.000 2.133 618 D HA -0.184 4.939 4.640 0.804 0.000 0.195 618 D C 2.327 178.582 176.300 -0.075 0.000 0.997 618 D CA 1.429 55.345 54.000 -0.141 0.000 0.840 618 D CB -0.251 40.478 40.800 -0.117 0.000 0.947 618 D HN 0.342 nan 8.370 nan 0.000 0.452 619 L N 0.953 122.133 121.223 -0.071 0.000 2.005 619 L HA -0.121 4.701 4.340 0.804 0.000 0.207 619 L C 2.491 179.391 176.870 0.050 0.000 1.072 619 L CA 0.893 55.726 54.840 -0.013 0.000 0.744 619 L CB -0.424 41.626 42.059 -0.016 0.000 0.895 619 L HN -0.093 nan 8.230 nan 0.000 0.433 620 E N 0.144 120.380 120.200 0.060 0.000 2.130 620 E HA -0.193 4.640 4.350 0.804 0.000 0.196 620 E C 2.326 179.041 176.600 0.192 0.000 0.998 620 E CA 1.200 57.701 56.400 0.168 0.000 0.806 620 E CB -0.327 29.545 29.700 0.286 0.000 0.738 620 E HN 0.307 nan 8.360 nan 0.000 0.459 621 V N 1.197 121.206 119.914 0.158 0.000 2.548 621 V HA -0.174 4.429 4.120 0.804 0.000 0.249 621 V C 2.396 178.556 176.094 0.110 0.000 1.055 621 V CA 0.990 63.380 62.300 0.150 0.000 1.065 621 V CB -0.321 31.571 31.823 0.114 0.000 0.681 621 V HN 0.195 nan 8.190 nan 0.000 0.462 622 L N -0.187 121.100 121.223 0.106 0.000 2.217 622 L HA -0.023 4.799 4.340 0.804 0.000 0.211 622 L C 2.467 179.458 176.870 0.202 0.000 1.107 622 L CA 1.214 56.156 54.840 0.171 0.000 0.783 622 L CB -0.470 41.678 42.059 0.147 0.000 0.919 622 L HN 0.356 nan 8.230 nan 0.000 0.442 623 A N -1.429 121.488 122.820 0.161 0.000 2.081 623 A HA -0.064 4.739 4.320 0.804 0.000 0.214 623 A C 0.464 178.118 177.584 0.117 0.000 1.158 623 A CA 0.841 52.968 52.037 0.151 0.000 0.724 623 A CB 0.073 19.172 19.000 0.164 0.000 0.826 623 A HN 0.336 nan 8.150 nan 0.000 0.463 624 D N -2.104 118.366 120.400 0.117 0.000 2.826 624 D HA 0.236 5.358 4.640 0.804 0.000 0.239 624 D C -2.568 173.790 176.300 0.096 0.000 1.329 624 D CA -1.147 52.919 54.000 0.110 0.000 0.854 624 D CB 0.740 41.626 40.800 0.143 0.000 1.494 624 D HN -0.084 nan 8.370 nan 0.000 0.540 625 P HA -0.101 nan 4.420 nan 0.000 0.224 625 P C 1.303 178.633 177.300 0.049 0.000 1.142 625 P CA 0.613 63.740 63.100 0.045 0.000 0.778 625 P CB 0.175 31.874 31.700 -0.002 0.000 0.764 626 N N 0.137 118.886 118.700 0.081 0.000 2.149 626 N HA -0.174 5.049 4.740 0.804 0.000 0.188 626 N C 1.409 176.959 175.510 0.066 0.000 1.019 626 N CA 1.114 54.249 53.050 0.141 0.000 0.857 626 N CB -0.061 38.573 38.487 0.245 0.000 0.997 626 N HN 0.175 nan 8.380 nan 0.000 0.426 627 K N 0.368 120.711 120.400 -0.096 0.000 2.360 627 K HA -0.113 4.689 4.320 0.804 0.000 0.201 627 K C 1.567 177.912 176.600 -0.425 0.000 1.046 627 K CA 0.386 56.313 56.287 -0.600 0.000 0.945 627 K CB 0.010 32.251 32.500 -0.432 0.000 0.750 627 K HN 0.093 nan 8.250 nan 0.000 0.464 628 L N 0.913 122.088 121.223 -0.079 0.000 2.478 628 L HA -0.068 4.754 4.340 0.804 0.000 0.223 628 L C 1.531 178.413 176.870 0.019 0.000 1.140 628 L CA 1.504 56.365 54.840 0.035 0.000 0.842 628 L CB -0.146 41.968 42.059 0.091 0.000 0.953 628 L HN 0.117 nan 8.230 nan 0.000 0.452 629 Q N -1.431 118.370 119.800 0.003 0.000 2.175 629 Q HA 0.037 4.860 4.340 0.804 0.000 0.225 629 Q C 0.018 176.109 176.000 0.153 0.000 0.837 629 Q CA 0.038 55.892 55.803 0.086 0.000 1.032 629 Q CB 0.323 29.133 28.738 0.120 0.000 1.137 629 Q HN 0.605 nan 8.270 nan 0.000 0.483 630 Y N -4.212 116.062 120.300 -0.044 0.000 2.841 630 Y HA 0.302 5.334 4.550 0.803 0.000 0.316 630 Y C 0.621 176.411 175.900 -0.183 0.000 0.914 630 Y CA -0.176 57.871 58.100 -0.089 0.000 1.052 630 Y CB -0.149 38.256 38.460 -0.092 0.000 1.439 630 Y HN -0.054 nan 8.280 nan 0.000 0.574 631 K N -0.621 119.384 120.400 -0.659 0.000 2.424 631 K HA 0.243 5.046 4.320 0.804 0.000 0.200 631 K C -0.235 175.944 176.600 -0.701 0.000 1.279 631 K CA 0.194 55.968 56.287 -0.855 0.000 0.918 631 K CB 0.804 32.382 32.500 -1.538 0.000 1.287 631 K HN 0.135 nan 8.250 nan 0.000 0.502 632 W N 0.170 121.338 121.300 -0.221 0.000 2.967 632 W HA 0.462 5.603 4.660 0.803 0.000 0.342 632 W C -0.357 176.107 176.519 -0.092 0.000 1.162 632 W CA -0.734 56.518 57.345 -0.155 0.000 1.085 632 W CB 0.864 30.239 29.460 -0.143 0.000 1.460 632 W HN -0.206 nan 8.180 nan 0.000 0.584 633 T N -0.236 114.432 114.554 0.190 0.000 2.906 633 T HA 0.126 4.958 4.350 0.804 0.000 0.295 633 T C 0.924 175.683 174.700 0.098 0.000 1.061 633 T CA -0.356 61.821 62.100 0.128 0.000 1.000 633 T CB 1.552 70.476 68.868 0.094 0.000 1.103 633 T HN 0.548 nan 8.240 nan 0.000 0.486 634 E N 2.276 122.528 120.200 0.087 0.000 2.200 634 E HA -0.295 4.538 4.350 0.804 0.000 0.211 634 E C 1.884 178.402 176.600 -0.138 0.000 1.048 634 E CA 2.198 58.555 56.400 -0.071 0.000 0.851 634 E CB -0.388 29.122 29.700 -0.318 0.000 0.747 634 E HN 0.694 nan 8.360 nan 0.000 0.462 635 A N 1.147 123.916 122.820 -0.084 0.000 1.978 635 A HA -0.214 4.589 4.320 0.804 0.000 0.220 635 A C 1.735 179.283 177.584 -0.060 0.000 1.170 635 A CA 1.830 53.820 52.037 -0.078 0.000 0.636 635 A CB -0.403 18.562 19.000 -0.059 0.000 0.810 635 A HN 0.443 nan 8.150 nan 0.000 0.448 636 D N -0.763 119.609 120.400 -0.047 0.000 2.363 636 D HA 0.093 5.216 4.640 0.804 0.000 0.220 636 D C 0.019 176.200 176.300 -0.198 0.000 0.994 636 D CA 0.412 54.335 54.000 -0.128 0.000 0.890 636 D CB 0.175 40.863 40.800 -0.187 0.000 0.906 636 D HN 0.213 nan 8.370 nan 0.000 0.530 637 V N 1.296 121.142 119.914 -0.113 0.000 2.435 637 V HA 0.111 4.713 4.120 0.804 0.000 0.290 637 V C 0.496 176.557 176.094 -0.054 0.000 1.030 637 V CA -0.780 61.468 62.300 -0.087 0.000 0.881 637 V CB 1.968 33.808 31.823 0.029 0.000 0.983 637 V HN -0.029 nan 8.190 nan 0.000 0.445 638 S N 2.975 118.636 115.700 -0.065 0.000 2.549 638 S HA 0.121 5.073 4.470 0.804 0.000 0.278 638 S C 1.421 176.021 174.600 0.000 0.000 1.344 638 S CA 0.245 58.418 58.200 -0.045 0.000 1.025 638 S CB 0.856 64.025 63.200 -0.053 0.000 0.851 638 S HN 1.031 nan 8.310 nan 0.000 0.530 639 A N 2.684 125.501 122.820 -0.006 0.000 1.930 639 A HA -0.112 4.690 4.320 0.804 0.000 0.215 639 A C 1.967 179.578 177.584 0.044 0.000 1.176 639 A CA 1.127 53.177 52.037 0.022 0.000 0.632 639 A CB -0.620 18.374 19.000 -0.009 0.000 0.819 639 A HN 0.884 nan 8.150 nan 0.000 0.445 640 N N 0.564 119.274 118.700 0.017 0.000 2.309 640 N HA -0.124 5.098 4.740 0.804 0.000 0.182 640 N C 1.305 176.831 175.510 0.026 0.000 1.018 640 N CA 1.430 54.490 53.050 0.017 0.000 0.876 640 N CB -0.401 38.085 38.487 -0.002 0.000 0.972 640 N HN 0.372 nan 8.380 nan 0.000 0.434 641 I N 1.300 121.885 120.570 0.025 0.000 2.339 641 I HA -0.117 4.535 4.170 0.804 0.000 0.245 641 I C 2.446 178.588 176.117 0.043 0.000 1.096 641 I CA 0.786 62.099 61.300 0.021 0.000 1.408 641 I CB -1.570 36.428 38.000 -0.004 0.000 1.092 641 I HN 0.264 nan 8.210 nan 0.000 0.423 642 H N 1.907 120.972 119.070 -0.008 0.000 2.426 642 H HA -0.175 4.863 4.556 0.804 0.000 0.298 642 H C 1.610 176.946 175.328 0.013 0.000 1.107 642 H CA 1.696 57.745 56.048 0.002 0.000 1.298 642 H CB 0.364 30.121 29.762 -0.009 0.000 1.377 642 H HN 0.453 nan 8.280 nan 0.000 0.519 643 E N -0.188 120.044 120.200 0.054 0.000 2.418 643 E HA -0.069 4.764 4.350 0.804 0.000 0.197 643 E C 2.277 178.893 176.600 0.026 0.000 1.026 643 E CA 0.503 56.920 56.400 0.027 0.000 0.862 643 E CB 0.341 30.066 29.700 0.043 0.000 0.799 643 E HN 0.273 nan 8.360 nan 0.000 0.518 644 V N 0.898 120.829 119.914 0.029 0.000 2.591 644 V HA -0.162 4.440 4.120 0.804 0.000 0.249 644 V C 1.952 178.063 176.094 0.028 0.000 1.053 644 V CA 1.241 63.587 62.300 0.077 0.000 1.068 644 V CB -0.141 31.741 31.823 0.099 0.000 0.689 644 V HN 0.288 nan 8.190 nan 0.000 0.462 645 L N -1.325 119.863 121.223 -0.058 0.000 2.463 645 L HA 0.244 5.066 4.340 0.804 0.000 0.219 645 L C 0.570 177.362 176.870 -0.131 0.000 1.088 645 L CA 0.482 55.261 54.840 -0.102 0.000 0.849 645 L CB 0.079 42.055 42.059 -0.139 0.000 1.012 645 L HN 0.278 nan 8.230 nan 0.000 0.468 646 M N -1.546 117.951 119.600 -0.170 0.000 2.619 646 M HA 0.444 5.406 4.480 0.804 0.000 0.297 646 M C -1.087 175.222 176.300 0.015 0.000 1.229 646 M CA -0.370 54.868 55.300 -0.104 0.000 0.860 646 M CB 2.324 34.791 32.600 -0.223 0.000 1.741 646 M HN -0.117 nan 8.290 nan 0.000 0.462 647 H N -0.615 118.458 119.070 0.006 0.000 2.895 647 H HA 0.784 5.822 4.556 0.804 0.000 0.373 647 H C -1.411 173.952 175.328 0.059 0.000 1.174 647 H CA -0.191 55.877 56.048 0.033 0.000 1.144 647 H CB 2.441 32.215 29.762 0.020 0.000 1.793 647 H HN 0.842 nan 8.280 nan 0.000 0.551 648 G N 1.344 109.998 108.800 -0.243 0.000 2.630 648 G HA2 0.496 4.938 3.960 0.804 0.000 0.296 648 G HA3 0.496 4.938 3.960 0.804 0.000 0.296 648 G C -0.989 173.994 174.900 0.138 0.000 1.285 648 G CA -0.496 44.624 45.100 0.032 0.000 0.958 648 G HN 0.430 nan 8.290 nan 0.000 0.479 649 V N 0.706 120.693 119.914 0.122 0.000 2.785 649 V HA 0.407 5.010 4.120 0.804 0.000 0.300 649 V C 0.998 177.132 176.094 0.068 0.000 1.062 649 V CA -0.533 61.831 62.300 0.107 0.000 1.029 649 V CB 1.506 33.379 31.823 0.082 0.000 1.024 649 V HN 1.010 nan 8.190 nan 0.000 0.477 650 S N 2.382 118.119 115.700 0.061 0.000 2.563 650 S HA 0.072 5.025 4.470 0.804 0.000 0.284 650 S C 1.067 175.691 174.600 0.040 0.000 1.331 650 S CA -0.467 57.759 58.200 0.044 0.000 1.047 650 S CB 0.890 64.115 63.200 0.041 0.000 0.859 650 S HN 0.511 nan 8.310 nan 0.000 0.514 651 V N 1.541 121.473 119.914 0.031 0.000 2.594 651 V HA -0.131 4.472 4.120 0.804 0.000 0.253 651 V C 2.174 178.291 176.094 0.038 0.000 1.069 651 V CA 1.862 64.181 62.300 0.032 0.000 1.082 651 V CB -1.471 30.363 31.823 0.018 0.000 0.680 651 V HN 0.828 nan 8.190 nan 0.000 0.469 652 E N 0.283 120.504 120.200 0.035 0.000 2.152 652 E HA -0.080 4.752 4.350 0.804 0.000 0.192 652 E C 2.188 178.819 176.600 0.052 0.000 0.983 652 E CA 0.632 57.054 56.400 0.037 0.000 0.818 652 E CB -0.266 29.451 29.700 0.028 0.000 0.758 652 E HN 0.450 nan 8.360 nan 0.000 0.467 653 K N 0.184 120.617 120.400 0.055 0.000 2.103 653 K HA -0.024 4.778 4.320 0.804 0.000 0.204 653 K C 2.317 178.983 176.600 0.109 0.000 1.052 653 K CA 1.746 58.074 56.287 0.067 0.000 0.945 653 K CB -0.453 32.074 32.500 0.046 0.000 0.722 653 K HN 0.376 nan 8.250 nan 0.000 0.443 654 T N -1.297 113.320 114.554 0.104 0.000 2.985 654 T HA -0.057 4.776 4.350 0.804 0.000 0.266 654 T C 1.861 176.675 174.700 0.189 0.000 1.076 654 T CA 0.841 63.040 62.100 0.164 0.000 1.135 654 T CB 0.149 69.087 68.868 0.117 0.000 0.890 654 T HN 0.267 nan 8.240 nan 0.000 0.480 655 E N 1.185 121.450 120.200 0.109 0.000 2.072 655 E HA -0.160 4.673 4.350 0.804 0.000 0.191 655 E C 2.521 179.161 176.600 0.068 0.000 0.985 655 E CA 0.686 57.127 56.400 0.069 0.000 0.801 655 E CB -0.130 29.593 29.700 0.039 0.000 0.750 655 E HN 0.517 nan 8.360 nan 0.000 0.452 656 R N -0.524 120.029 120.500 0.088 0.000 2.115 656 R HA -0.138 4.684 4.340 0.804 0.000 0.230 656 R C 2.201 178.569 176.300 0.113 0.000 1.111 656 R CA 1.210 57.357 56.100 0.078 0.000 0.976 656 R CB -0.275 30.070 30.300 0.076 0.000 0.870 656 R HN 0.243 nan 8.270 nan 0.000 0.445 657 F N 0.587 120.563 119.950 0.043 0.000 2.128 657 F HA -0.105 4.904 4.527 0.803 0.000 0.295 657 F C 1.765 177.610 175.800 0.076 0.000 1.100 657 F CA 0.876 58.928 58.000 0.086 0.000 1.260 657 F CB -0.376 38.683 39.000 0.098 0.000 1.009 657 F HN -0.002 nan 8.300 nan 0.000 0.476 658 L N 1.029 122.224 121.223 -0.046 0.000 2.012 658 L HA -0.188 4.635 4.340 0.804 0.000 0.210 658 L C 2.663 179.368 176.870 -0.276 0.000 1.073 658 L CA 1.892 56.606 54.840 -0.210 0.000 0.748 658 L CB -0.874 41.156 42.059 -0.048 0.000 0.891 658 L HN 0.135 nan 8.230 nan 0.000 0.431 659 R N -0.751 119.655 120.500 -0.156 0.000 2.103 659 R HA -0.200 4.623 4.340 0.804 0.000 0.242 659 R C 2.461 178.668 176.300 -0.155 0.000 1.142 659 R CA 1.799 57.818 56.100 -0.136 0.000 0.960 659 R CB -0.377 29.883 30.300 -0.066 0.000 0.858 659 R HN 0.634 nan 8.270 nan 0.000 0.439 660 S N -1.227 114.394 115.700 -0.131 0.000 2.481 660 S HA -0.027 4.925 4.470 0.804 0.000 0.231 660 S C 1.769 176.332 174.600 -0.062 0.000 0.996 660 S CA 0.945 59.131 58.200 -0.023 0.000 0.942 660 S CB 0.193 63.447 63.200 0.091 0.000 0.768 660 S HN 0.143 nan 8.310 nan 0.000 0.520 661 V N 1.302 121.000 119.914 -0.361 0.000 2.436 661 V HA 0.233 4.835 4.120 0.804 0.000 0.240 661 V C 1.472 177.153 176.094 -0.688 0.000 1.040 661 V CA 0.868 62.796 62.300 -0.620 0.000 1.052 661 V CB -0.424 30.850 31.823 -0.915 0.000 0.707 661 V HN 0.460 nan 8.190 nan 0.000 0.469 662 M N 0.665 119.862 119.600 -0.671 0.000 2.198 662 M HA 0.148 5.111 4.480 0.804 0.000 0.315 662 M C -1.250 174.742 176.300 -0.514 0.000 1.134 662 M CA -1.075 53.749 55.300 -0.792 0.000 1.171 662 M CB 0.251 32.498 32.600 -0.588 0.000 1.413 662 M HN 0.013 nan 8.290 nan 0.000 0.467 663 P HA 0.063 nan 4.420 nan 0.000 0.217 663 P C -0.302 176.894 177.300 -0.173 0.000 1.154 663 P CA 1.210 64.159 63.100 -0.251 0.000 0.841 663 P CB 0.437 32.027 31.700 -0.185 0.000 0.788 664 R N 0.000 120.393 120.500 -0.179 0.000 2.786 664 R HA 0.000 4.822 4.340 0.804 0.000 0.208 664 R CA 0.000 56.027 56.100 -0.121 0.000 0.921 664 R CB 0.000 30.255 30.300 -0.075 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535