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 1efw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRRTHYAGSL RETHVGEEVV LEGWVNRRRD LGGLIFLDLR DREGLVQLVA DATA SEQUENCE HPASPAYATA ERVRPEWVVR AKGLVRLRPE PNPRLATGRV EVELSALEVL DATA SEQUENCE AEAKTPPFPV DAGWRGEEEK EASEELRLKY RYLDLRRRRM QENLRLRHRV DATA SEQUENCE IKAIWDFLDR EGFVQVETPF LTKSTPEGAR DFLVPYRHEP GLFYALPQSP DATA SEQUENCE QLFKQMLMVA GLDRYFQIAR CFRDEDLRAD RQPDFTQLDL EMSFVEVEDV DATA SEQUENCE LELNERLMAH VFREALGVEL PLPFPRLSYE EAMERYGSDK PDLRFGLELK DATA SEQUENCE EVGPLFRQSG FRVFQEAESV KALALPKALS RKEVAELEEV AKRHKAQGLA DATA SEQUENCE WARVEEGGFS GGVAKFLEPV REALLQATEA RPGDTLLFVA GPRKVAATAL DATA SEQUENCE GAVRLRAADL LGLKREGFRF LWVVDFPLLE WDEEEEAWTY MHHPFTSPHP DATA SEQUENCE EDLPLLEKDP GRVRALAYDL VLNGVEVGGG SIRIHDPRLQ ARVFRLLGIG DATA SEQUENCE EEEQREKFGF FLEALEYGAP PHGGIAWGLD RLLALMTGSP SIREVIAFPK DATA SEQUENCE NKEGKDPLTG APSPVPEEQL RELGLMVVRP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.281 176.300 -0.032 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.027 0.000 1.302 2 R N 3.028 123.510 120.500 -0.031 0.000 2.312 2 R HA 0.418 4.758 4.340 -0.000 0.000 0.311 2 R C -0.109 176.164 176.300 -0.044 0.000 1.004 2 R CA -0.238 55.838 56.100 -0.041 0.000 0.902 2 R CB 1.270 31.545 30.300 -0.041 0.000 1.073 2 R HN 0.508 nan 8.270 nan 0.000 0.457 3 R N 0.481 120.946 120.500 -0.058 0.000 2.919 3 R HA 0.031 4.371 4.340 -0.000 0.000 0.284 3 R C 0.620 176.878 176.300 -0.070 0.000 1.104 3 R CA 0.804 56.870 56.100 -0.056 0.000 1.207 3 R CB 0.177 30.426 30.300 -0.086 0.000 1.162 3 R HN 0.631 nan 8.270 nan 0.000 0.561 4 T N -3.565 110.961 114.554 -0.046 0.000 3.080 4 T HA 0.256 4.606 4.350 -0.000 0.000 0.280 4 T C -0.702 173.794 174.700 -0.340 0.000 0.926 4 T CA -0.434 61.596 62.100 -0.118 0.000 0.883 4 T CB -0.005 68.886 68.868 0.038 0.000 1.194 4 T HN 0.771 nan 8.240 nan 0.000 0.541 5 H N -1.066 117.950 119.070 -0.089 0.000 3.094 5 H HA 0.392 4.948 4.556 -0.000 0.000 0.335 5 H C -1.884 173.399 175.328 -0.076 0.000 1.254 5 H CA -0.815 55.187 56.048 -0.076 0.000 1.240 5 H CB 0.794 30.524 29.762 -0.053 0.000 1.936 5 H HN 0.146 nan 8.280 nan 0.000 0.536 6 Y N 1.137 121.506 120.300 0.115 0.000 2.465 6 Y HA 0.209 4.759 4.550 -0.000 0.000 0.331 6 Y C 1.597 177.524 175.900 0.045 0.000 1.102 6 Y CA 0.212 58.353 58.100 0.068 0.000 1.358 6 Y CB 1.039 39.533 38.460 0.058 0.000 1.213 6 Y HN 0.911 nan 8.280 nan 0.000 0.525 7 A N 3.515 126.450 122.820 0.191 0.000 1.915 7 A HA -0.279 4.041 4.320 -0.000 0.000 0.220 7 A C 2.309 179.926 177.584 0.054 0.000 1.198 7 A CA 2.173 54.260 52.037 0.083 0.000 0.647 7 A CB -1.366 17.673 19.000 0.065 0.000 0.825 7 A HN 1.038 nan 8.150 nan 0.000 0.456 8 G N -1.041 107.803 108.800 0.074 0.000 2.708 8 G HA2 0.101 4.061 3.960 -0.000 0.000 0.210 8 G HA3 0.101 4.061 3.960 -0.000 0.000 0.210 8 G C 1.207 176.143 174.900 0.059 0.000 1.141 8 G CA 1.299 46.431 45.100 0.053 0.000 0.788 8 G HN 0.983 nan 8.290 nan 0.000 0.531 9 S N -0.629 115.111 115.700 0.067 0.000 2.629 9 S HA 0.401 4.871 4.470 -0.000 0.000 0.236 9 S C 0.517 175.083 174.600 -0.057 0.000 1.010 9 S CA -0.625 57.611 58.200 0.061 0.000 0.981 9 S CB 0.396 63.685 63.200 0.149 0.000 0.919 9 S HN -0.057 nan 8.310 nan 0.000 0.514 10 L N 2.338 123.439 121.223 -0.204 0.000 2.483 10 L HA 0.532 4.872 4.340 -0.000 0.000 0.275 10 L C 0.620 177.382 176.870 -0.180 0.000 1.220 10 L CA 0.909 55.431 54.840 -0.529 0.000 0.833 10 L CB 0.171 42.003 42.059 -0.378 0.000 1.102 10 L HN 0.402 nan 8.230 nan 0.000 0.490 11 R N -0.309 120.218 120.500 0.044 0.000 2.766 11 R HA 0.230 4.570 4.340 -0.000 0.000 0.270 11 R C 0.808 177.252 176.300 0.240 0.000 1.035 11 R CA -0.643 55.586 56.100 0.215 0.000 0.911 11 R CB 0.906 31.358 30.300 0.253 0.000 1.243 11 R HN 0.545 nan 8.270 nan 0.000 0.460 12 E N -0.602 119.674 120.200 0.127 0.000 2.169 12 E HA -0.218 4.132 4.350 -0.000 0.000 0.202 12 E C 0.986 177.631 176.600 0.075 0.000 1.016 12 E CA 2.494 58.944 56.400 0.083 0.000 0.817 12 E CB -0.117 29.616 29.700 0.054 0.000 0.736 12 E HN 0.601 nan 8.360 nan 0.000 0.462 13 T N -0.442 114.152 114.554 0.066 0.000 2.977 13 T HA -0.111 4.239 4.350 -0.000 0.000 0.271 13 T C 0.781 175.386 174.700 -0.157 0.000 1.105 13 T CA 1.303 63.369 62.100 -0.057 0.000 1.116 13 T CB -0.262 68.527 68.868 -0.131 0.000 0.878 13 T HN 0.333 nan 8.240 nan 0.000 0.509 14 H N -0.353 118.714 119.070 -0.006 0.000 2.575 14 H HA 0.364 4.920 4.556 -0.000 0.000 0.267 14 H C 0.638 175.948 175.328 -0.029 0.000 0.966 14 H CA -0.464 55.563 56.048 -0.035 0.000 1.165 14 H CB -0.122 29.566 29.762 -0.124 0.000 1.433 14 H HN 0.113 nan 8.280 nan 0.000 0.544 15 V N 1.247 121.213 119.914 0.087 0.000 2.625 15 V HA 0.039 4.159 4.120 -0.000 0.000 0.305 15 V C 1.557 177.674 176.094 0.039 0.000 1.055 15 V CA 1.853 64.186 62.300 0.054 0.000 1.209 15 V CB 0.152 32.000 31.823 0.042 0.000 0.877 15 V HN 0.904 nan 8.190 nan 0.000 0.489 16 G N 3.864 112.685 108.800 0.036 0.000 2.279 16 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.223 16 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.223 16 G C 0.118 175.039 174.900 0.034 0.000 1.015 16 G CA 0.100 45.218 45.100 0.029 0.000 0.621 16 G HN 0.658 nan 8.290 nan 0.000 0.506 17 E N 1.421 121.647 120.200 0.045 0.000 2.344 17 E HA 0.402 4.752 4.350 -0.000 0.000 0.270 17 E C 0.244 176.873 176.600 0.049 0.000 1.021 17 E CA -0.249 56.186 56.400 0.057 0.000 0.887 17 E CB 0.871 30.624 29.700 0.089 0.000 0.997 17 E HN 0.347 nan 8.360 nan 0.000 0.429 18 E N 2.379 122.612 120.200 0.055 0.000 2.384 18 E HA 0.155 4.505 4.350 -0.000 0.000 0.266 18 E C -1.294 175.346 176.600 0.068 0.000 1.012 18 E CA -0.068 56.362 56.400 0.049 0.000 0.901 18 E CB 0.807 30.534 29.700 0.045 0.000 0.967 18 E HN 0.148 nan 8.360 nan 0.000 0.435 19 V N 4.050 123.995 119.914 0.053 0.000 3.114 19 V HA 0.526 4.646 4.120 -0.000 0.000 0.308 19 V C -1.115 175.015 176.094 0.060 0.000 1.168 19 V CA -0.867 61.476 62.300 0.072 0.000 1.015 19 V CB 2.602 34.423 31.823 -0.002 0.000 1.050 19 V HN 0.532 nan 8.190 nan 0.000 0.433 20 V N 4.282 124.245 119.914 0.081 0.000 2.569 20 V HA 0.545 4.665 4.120 -0.000 0.000 0.301 20 V C -0.679 175.440 176.094 0.041 0.000 1.044 20 V CA -0.415 61.911 62.300 0.042 0.000 0.874 20 V CB 1.637 33.476 31.823 0.026 0.000 1.002 20 V HN 0.575 nan 8.190 nan 0.000 0.424 21 L N 3.488 124.722 121.223 0.019 0.000 2.319 21 L HA 0.756 5.096 4.340 -0.000 0.000 0.267 21 L C -0.447 176.415 176.870 -0.012 0.000 1.011 21 L CA -0.679 54.169 54.840 0.015 0.000 0.818 21 L CB 2.592 44.661 42.059 0.017 0.000 1.316 21 L HN 0.625 nan 8.230 nan 0.000 0.432 22 E N 0.091 120.283 120.200 -0.014 0.000 2.274 22 E HA 0.638 4.988 4.350 -0.000 0.000 0.269 22 E C -0.665 175.892 176.600 -0.072 0.000 0.891 22 E CA -0.304 56.056 56.400 -0.068 0.000 0.784 22 E CB 2.524 32.179 29.700 -0.075 0.000 1.225 22 E HN 0.813 nan 8.360 nan 0.000 0.412 23 G N 2.335 111.030 108.800 -0.175 0.000 2.435 23 G HA2 0.219 4.179 3.960 -0.000 0.000 0.296 23 G HA3 0.219 4.179 3.960 -0.000 0.000 0.296 23 G C -1.727 172.994 174.900 -0.300 0.000 1.240 23 G CA -0.812 44.190 45.100 -0.164 0.000 0.872 23 G HN 0.293 nan 8.290 nan 0.000 0.480 24 W N 0.720 121.991 121.300 -0.048 0.000 2.478 24 W HA 0.529 5.188 4.660 -0.000 0.000 0.318 24 W C -0.322 176.180 176.519 -0.029 0.000 1.062 24 W CA -0.647 56.682 57.345 -0.026 0.000 1.210 24 W CB 1.978 31.403 29.460 -0.058 0.000 1.325 24 W HN 0.216 nan 8.180 nan 0.000 0.496 25 V N 4.385 124.419 119.914 0.199 0.000 2.403 25 V HA -0.149 3.971 4.120 -0.000 0.000 0.265 25 V C 1.027 177.188 176.094 0.111 0.000 1.034 25 V CA 0.528 62.900 62.300 0.120 0.000 1.036 25 V CB 0.411 32.294 31.823 0.100 0.000 1.032 25 V HN 0.541 nan 8.190 nan 0.000 0.478 26 N N 4.762 123.502 118.700 0.067 0.000 2.062 26 N HA 0.019 4.759 4.740 -0.000 0.000 0.191 26 N C 0.843 176.382 175.510 0.050 0.000 1.042 26 N CA 1.382 54.465 53.050 0.055 0.000 0.845 26 N CB 0.215 38.725 38.487 0.037 0.000 1.024 26 N HN 0.691 nan 8.380 nan 0.000 0.424 27 R N -1.276 119.242 120.500 0.031 0.000 2.710 27 R HA 0.366 4.706 4.340 -0.000 0.000 0.270 27 R C -1.396 174.903 176.300 -0.002 0.000 1.021 27 R CA -0.804 55.303 56.100 0.012 0.000 0.889 27 R CB 1.707 32.020 30.300 0.022 0.000 1.243 27 R HN 0.181 nan 8.270 nan 0.000 0.464 28 R N 1.185 121.670 120.500 -0.024 0.000 2.803 28 R HA 0.624 4.964 4.340 -0.000 0.000 0.276 28 R C -0.890 175.410 176.300 -0.000 0.000 0.978 28 R CA -1.072 55.011 56.100 -0.029 0.000 0.939 28 R CB 2.147 32.389 30.300 -0.095 0.000 1.179 28 R HN 0.377 nan 8.270 nan 0.000 0.472 29 R N 1.205 121.731 120.500 0.043 0.000 2.545 29 R HA 0.130 4.470 4.340 -0.000 0.000 0.289 29 R C -1.426 174.921 176.300 0.077 0.000 1.327 29 R CA -0.622 55.527 56.100 0.082 0.000 1.040 29 R CB 1.466 31.854 30.300 0.147 0.000 1.176 29 R HN 0.628 nan 8.270 nan 0.000 0.518 30 D N 4.361 124.764 120.400 0.005 0.000 2.522 30 D HA 0.054 4.694 4.640 -0.000 0.000 0.218 30 D C 0.606 176.906 176.300 0.000 0.000 1.149 30 D CA -0.283 53.694 54.000 -0.038 0.000 0.981 30 D CB 0.915 41.666 40.800 -0.082 0.000 1.041 30 D HN 0.312 nan 8.370 nan 0.000 0.518 31 L N 2.430 123.670 121.223 0.029 0.000 2.633 31 L HA 0.118 4.458 4.340 -0.000 0.000 0.235 31 L C 1.985 178.874 176.870 0.032 0.000 1.163 31 L CA 1.082 55.953 54.840 0.051 0.000 0.859 31 L CB -0.611 41.506 42.059 0.096 0.000 0.973 31 L HN 0.722 nan 8.230 nan 0.000 0.451 32 G N -0.901 107.913 108.800 0.023 0.000 4.731 32 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.266 32 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.266 32 G C 1.087 176.054 174.900 0.112 0.000 1.635 32 G CA -0.077 45.053 45.100 0.051 0.000 1.229 32 G HN 0.393 nan 8.290 nan 0.000 0.663 33 G N 0.174 109.018 108.800 0.073 0.000 3.181 33 G HA2 0.528 4.488 3.960 -0.000 0.000 0.219 33 G HA3 0.528 4.488 3.960 -0.000 0.000 0.219 33 G C -0.090 174.846 174.900 0.061 0.000 1.182 33 G CA 1.138 46.274 45.100 0.061 0.000 0.791 33 G HN 1.058 nan 8.290 nan 0.000 0.537 34 L N -0.051 121.196 121.223 0.040 0.000 2.506 34 L HA 0.622 4.962 4.340 -0.000 0.000 0.257 34 L C -1.435 175.292 176.870 -0.238 0.000 0.964 34 L CA -0.711 54.044 54.840 -0.140 0.000 0.836 34 L CB 2.501 44.416 42.059 -0.239 0.000 1.384 34 L HN -0.031 nan 8.230 nan 0.000 0.410 35 I N 3.014 123.328 120.570 -0.427 0.000 2.571 35 I HA 0.396 4.565 4.170 -0.000 0.000 0.289 35 I C -1.345 174.485 176.117 -0.479 0.000 1.115 35 I CA -0.340 60.736 61.300 -0.374 0.000 1.045 35 I CB 1.885 39.697 38.000 -0.313 0.000 1.238 35 I HN 0.344 nan 8.210 nan 0.000 0.424 36 F N 6.102 126.001 119.950 -0.086 0.000 2.443 36 F HA 0.630 5.157 4.527 -0.000 0.000 0.335 36 F C -0.205 175.555 175.800 -0.067 0.000 1.104 36 F CA -0.681 57.277 58.000 -0.069 0.000 1.013 36 F CB 1.645 40.618 39.000 -0.044 0.000 1.136 36 F HN 0.096 nan 8.300 nan 0.000 0.470 37 L N 2.982 124.283 121.223 0.129 0.000 2.409 37 L HA 0.362 4.702 4.340 -0.000 0.000 0.272 37 L C -1.235 175.671 176.870 0.060 0.000 0.980 37 L CA -0.850 54.023 54.840 0.054 0.000 0.826 37 L CB 1.971 44.031 42.059 0.002 0.000 1.268 37 L HN 0.460 nan 8.230 nan 0.000 0.407 38 D N 4.036 124.463 120.400 0.045 0.000 2.422 38 D HA 0.213 4.853 4.640 -0.000 0.000 0.227 38 D C -0.197 176.120 176.300 0.028 0.000 1.190 38 D CA 0.099 54.122 54.000 0.037 0.000 0.905 38 D CB 1.071 41.893 40.800 0.036 0.000 1.034 38 D HN 0.203 nan 8.370 nan 0.000 0.507 39 L N 2.805 124.043 121.223 0.025 0.000 2.331 39 L HA 0.359 4.699 4.340 -0.000 0.000 0.278 39 L C 0.085 176.957 176.870 0.003 0.000 1.106 39 L CA -0.062 54.792 54.840 0.023 0.000 0.824 39 L CB 0.783 42.854 42.059 0.021 0.000 1.142 39 L HN 0.232 nan 8.230 nan 0.000 0.443 40 R N 3.664 124.169 120.500 0.009 0.000 2.744 40 R HA 0.489 4.829 4.340 -0.000 0.000 0.279 40 R C -1.885 174.424 176.300 0.014 0.000 0.977 40 R CA -0.391 55.650 56.100 -0.098 0.000 0.906 40 R CB 2.249 32.356 30.300 -0.322 0.000 1.197 40 R HN 0.860 nan 8.270 nan 0.000 0.463 41 D N 0.794 121.112 120.400 -0.136 0.000 2.615 41 D HA 0.140 4.780 4.640 -0.000 0.000 0.267 41 D C 0.467 176.592 176.300 -0.292 0.000 1.236 41 D CA -0.814 53.177 54.000 -0.016 0.000 0.839 41 D CB 0.724 41.648 40.800 0.207 0.000 1.380 41 D HN 0.574 nan 8.370 nan 0.000 0.433 42 R N -0.317 120.061 120.500 -0.202 0.000 2.244 42 R HA -0.176 4.164 4.340 -0.000 0.000 0.252 42 R C 0.623 176.892 176.300 -0.053 0.000 1.177 42 R CA 1.525 57.544 56.100 -0.134 0.000 1.004 42 R CB -0.549 29.655 30.300 -0.161 0.000 0.873 42 R HN 0.359 nan 8.270 nan 0.000 0.469 43 E N 0.366 120.485 120.200 -0.134 0.000 2.474 43 E HA 0.229 4.579 4.350 -0.000 0.000 0.195 43 E C 0.632 177.282 176.600 0.083 0.000 1.039 43 E CA 0.749 57.128 56.400 -0.036 0.000 0.881 43 E CB 1.212 30.859 29.700 -0.089 0.000 0.970 43 E HN 0.557 nan 8.360 nan 0.000 0.486 44 G N 0.239 109.078 108.800 0.066 0.000 2.357 44 G HA2 0.067 4.027 3.960 -0.000 0.000 0.289 44 G HA3 0.067 4.027 3.960 -0.000 0.000 0.289 44 G C -1.622 173.284 174.900 0.011 0.000 1.302 44 G CA -1.002 44.177 45.100 0.132 0.000 0.936 44 G HN 0.006 nan 8.290 nan 0.000 0.513 45 L N 0.336 121.598 121.223 0.066 0.000 2.346 45 L HA 0.757 5.097 4.340 -0.000 0.000 0.276 45 L C 0.346 177.235 176.870 0.030 0.000 1.006 45 L CA -1.239 53.617 54.840 0.027 0.000 0.817 45 L CB 1.713 43.810 42.059 0.063 0.000 1.272 45 L HN 0.635 nan 8.230 nan 0.000 0.421 46 V N 0.312 120.237 119.914 0.018 0.000 2.919 46 V HA 0.506 4.626 4.120 -0.000 0.000 0.316 46 V C -0.591 175.518 176.094 0.026 0.000 1.077 46 V CA -0.880 61.428 62.300 0.015 0.000 0.977 46 V CB 1.803 33.627 31.823 0.002 0.000 1.039 46 V HN 0.824 nan 8.190 nan 0.000 0.441 47 Q N 1.458 121.279 119.800 0.034 0.000 2.307 47 Q HA 0.647 4.987 4.340 -0.000 0.000 0.262 47 Q C -1.438 174.608 176.000 0.076 0.000 0.961 47 Q CA -0.577 55.262 55.803 0.060 0.000 0.882 47 Q CB 1.630 30.405 28.738 0.061 0.000 1.264 47 Q HN 0.764 nan 8.270 nan 0.000 0.446 48 L N 2.950 124.219 121.223 0.076 0.000 2.343 48 L HA 0.637 4.977 4.340 -0.000 0.000 0.275 48 L C -0.507 176.403 176.870 0.067 0.000 1.056 48 L CA -0.974 53.898 54.840 0.053 0.000 0.804 48 L CB 1.635 43.707 42.059 0.021 0.000 1.203 48 L HN 0.355 nan 8.230 nan 0.000 0.440 49 V N 1.825 121.746 119.914 0.011 0.000 2.577 49 V HA 0.758 4.878 4.120 -0.000 0.000 0.303 49 V C -0.487 175.440 176.094 -0.279 0.000 1.042 49 V CA -0.290 61.930 62.300 -0.133 0.000 0.872 49 V CB 1.861 33.667 31.823 -0.028 0.000 0.998 49 V HN 0.875 nan 8.190 nan 0.000 0.423 50 A N 5.772 128.340 122.820 -0.421 0.000 2.331 50 A HA 0.844 5.164 4.320 -0.000 0.000 0.320 50 A C -0.770 176.565 177.584 -0.414 0.000 1.138 50 A CA -0.530 51.329 52.037 -0.297 0.000 0.790 50 A CB 0.784 19.697 19.000 -0.145 0.000 1.206 50 A HN 0.912 nan 8.150 nan 0.000 0.470 51 H N 2.339 121.457 119.070 0.080 0.000 2.469 51 H HA 0.252 4.808 4.556 -0.000 0.000 0.342 51 H C -2.032 173.253 175.328 -0.073 0.000 1.115 51 H CA -1.761 54.294 56.048 0.011 0.000 1.204 51 H CB 1.602 31.339 29.762 -0.042 0.000 1.492 51 H HN 0.366 nan 8.280 nan 0.000 0.499 52 P HA -0.222 nan 4.420 nan 0.000 0.218 52 P C 1.269 178.327 177.300 -0.403 0.000 1.150 52 P CA 1.993 64.497 63.100 -0.994 0.000 0.841 52 P CB 0.211 31.473 31.700 -0.730 0.000 0.784 53 A N -1.003 121.721 122.820 -0.160 0.000 1.968 53 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 53 A C 1.544 179.118 177.584 -0.016 0.000 1.169 53 A CA 0.891 52.883 52.037 -0.076 0.000 0.638 53 A CB -1.047 17.924 19.000 -0.049 0.000 0.812 53 A HN 0.288 nan 8.150 nan 0.000 0.446 54 S N -0.024 115.700 115.700 0.039 0.000 2.565 54 S HA 0.313 4.783 4.470 -0.000 0.000 0.276 54 S C -1.182 173.475 174.600 0.094 0.000 1.326 54 S CA -1.086 57.158 58.200 0.073 0.000 1.045 54 S CB 0.903 64.167 63.200 0.107 0.000 0.918 54 S HN 0.219 nan 8.310 nan 0.000 0.505 55 P HA -0.029 nan 4.420 nan 0.000 0.225 55 P C 1.097 178.441 177.300 0.073 0.000 1.148 55 P CA 1.054 64.193 63.100 0.065 0.000 0.779 55 P CB -0.139 31.585 31.700 0.040 0.000 0.780 56 A N -0.585 122.280 122.820 0.074 0.000 1.930 56 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 56 A C 2.291 179.902 177.584 0.044 0.000 1.175 56 A CA 1.049 53.115 52.037 0.048 0.000 0.627 56 A CB -1.805 17.218 19.000 0.038 0.000 0.815 56 A HN 0.101 nan 8.150 nan 0.000 0.443 57 Y N 0.875 121.155 120.300 -0.034 0.000 2.030 57 Y HA -0.313 4.237 4.550 -0.000 0.000 0.272 57 Y C 2.690 178.564 175.900 -0.043 0.000 1.185 57 Y CA 2.074 60.142 58.100 -0.053 0.000 1.120 57 Y CB -0.606 37.828 38.460 -0.043 0.000 0.955 57 Y HN 0.326 nan 8.280 nan 0.000 0.495 58 A N -0.893 122.007 122.820 0.132 0.000 1.917 58 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 58 A C 2.221 179.765 177.584 -0.066 0.000 1.182 58 A CA 2.563 54.624 52.037 0.040 0.000 0.633 58 A CB -1.374 17.684 19.000 0.096 0.000 0.819 58 A HN 0.569 nan 8.150 nan 0.000 0.448 59 T N 0.110 114.641 114.554 -0.038 0.000 2.857 59 T HA 0.109 4.459 4.350 -0.000 0.000 0.266 59 T C 2.113 176.757 174.700 -0.093 0.000 1.048 59 T CA 1.148 63.231 62.100 -0.027 0.000 1.139 59 T CB -0.400 68.476 68.868 0.014 0.000 0.874 59 T HN 0.597 nan 8.240 nan 0.000 0.455 60 A N 1.529 124.259 122.820 -0.151 0.000 2.186 60 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 60 A C 2.065 179.476 177.584 -0.289 0.000 1.159 60 A CA 1.273 53.185 52.037 -0.208 0.000 0.680 60 A CB -0.444 18.417 19.000 -0.232 0.000 0.787 60 A HN 0.631 nan 8.150 nan 0.000 0.467 61 E N -0.300 119.708 120.200 -0.321 0.000 2.045 61 E HA -0.121 4.228 4.350 -0.000 0.000 0.190 61 E C 2.170 178.616 176.600 -0.256 0.000 0.968 61 E CA 0.889 57.104 56.400 -0.309 0.000 0.813 61 E CB -0.278 29.244 29.700 -0.297 0.000 0.780 61 E HN 0.792 nan 8.360 nan 0.000 0.455 62 R N 1.621 121.995 120.500 -0.209 0.000 2.280 62 R HA 0.038 4.378 4.340 -0.000 0.000 0.207 62 R C 0.639 176.600 176.300 -0.566 0.000 1.043 62 R CA 0.156 56.114 56.100 -0.235 0.000 1.006 62 R CB -0.466 29.801 30.300 -0.056 0.000 0.885 62 R HN -0.107 nan 8.270 nan 0.000 0.467 63 V N 2.168 121.764 119.914 -0.531 0.000 3.032 63 V HA 0.038 4.158 4.120 -0.000 0.000 0.307 63 V C 0.612 176.021 176.094 -1.141 0.000 1.097 63 V CA 0.325 62.123 62.300 -0.837 0.000 1.191 63 V CB 0.645 32.305 31.823 -0.271 0.000 0.964 63 V HN 0.365 nan 8.190 nan 0.000 0.494 64 R N 2.391 121.880 120.500 -1.685 0.000 2.831 64 R HA 0.491 4.831 4.340 -0.000 0.000 0.266 64 R C -2.864 173.162 176.300 -0.458 0.000 1.051 64 R CA -2.464 53.015 56.100 -1.035 0.000 0.943 64 R CB 1.266 30.934 30.300 -1.053 0.000 1.228 64 R HN 0.315 nan 8.270 nan 0.000 0.467 65 P HA 0.048 nan 4.420 nan 0.000 0.269 65 P C -0.386 177.050 177.300 0.227 0.000 1.215 65 P CA 0.593 63.717 63.100 0.040 0.000 0.780 65 P CB 0.435 32.151 31.700 0.027 0.000 0.898 66 E N -1.491 118.865 120.200 0.261 0.000 3.170 66 E HA -0.200 4.150 4.350 -0.000 0.000 0.284 66 E C -0.816 176.046 176.600 0.437 0.000 0.967 66 E CA 0.822 57.438 56.400 0.361 0.000 0.919 66 E CB -1.935 27.927 29.700 0.269 0.000 1.469 66 E HN 0.446 nan 8.360 nan 0.000 0.444 67 W N -0.116 121.227 121.300 0.072 0.000 2.316 67 W HA 0.434 5.094 4.660 -0.000 0.000 0.321 67 W C 0.568 177.022 176.519 -0.109 0.000 1.203 67 W CA -0.571 56.769 57.345 -0.009 0.000 1.214 67 W CB 0.875 30.319 29.460 -0.026 0.000 1.169 67 W HN -0.233 nan 8.180 nan 0.000 0.561 68 V N 5.503 125.334 119.914 -0.138 0.000 2.432 68 V HA 0.506 4.626 4.120 -0.000 0.000 0.275 68 V C 0.018 175.985 176.094 -0.211 0.000 1.043 68 V CA -0.906 61.159 62.300 -0.391 0.000 0.925 68 V CB 0.536 32.019 31.823 -0.566 0.000 0.985 68 V HN 0.328 nan 8.190 nan 0.000 0.466 69 V N 2.635 122.436 119.914 -0.189 0.000 3.007 69 V HA 0.741 4.861 4.120 -0.000 0.000 0.311 69 V C -0.598 175.433 176.094 -0.105 0.000 1.120 69 V CA -1.161 61.086 62.300 -0.089 0.000 0.980 69 V CB 2.073 33.894 31.823 -0.002 0.000 1.033 69 V HN 0.889 nan 8.190 nan 0.000 0.429 70 R N 2.422 122.880 120.500 -0.069 0.000 2.360 70 R HA 0.835 5.175 4.340 -0.000 0.000 0.318 70 R C -0.641 175.642 176.300 -0.028 0.000 0.950 70 R CA -0.097 55.968 56.100 -0.057 0.000 0.837 70 R CB 1.499 31.765 30.300 -0.057 0.000 1.165 70 R HN 1.270 nan 8.270 nan 0.000 0.458 71 A N 5.019 127.828 122.820 -0.018 0.000 2.318 71 A HA 0.471 4.791 4.320 -0.000 0.000 0.317 71 A C -0.957 176.630 177.584 0.004 0.000 1.159 71 A CA -0.859 51.175 52.037 -0.004 0.000 0.799 71 A CB 1.025 20.025 19.000 -0.000 0.000 1.194 71 A HN 0.754 nan 8.150 nan 0.000 0.479 72 K N 1.650 122.055 120.400 0.009 0.000 2.244 72 K HA 0.689 5.009 4.320 -0.000 0.000 0.260 72 K C 0.107 176.720 176.600 0.021 0.000 0.951 72 K CA -0.372 55.925 56.287 0.016 0.000 0.826 72 K CB 2.270 34.779 32.500 0.015 0.000 1.108 72 K HN 0.903 nan 8.250 nan 0.000 0.433 73 G N 1.273 110.087 108.800 0.024 0.000 2.634 73 G HA2 0.496 4.456 3.960 -0.000 0.000 0.309 73 G HA3 0.496 4.456 3.960 -0.000 0.000 0.309 73 G C -2.222 172.695 174.900 0.029 0.000 1.299 73 G CA -0.597 44.521 45.100 0.030 0.000 0.798 73 G HN 0.330 nan 8.290 nan 0.000 0.490 74 L N 1.077 122.320 121.223 0.034 0.000 2.372 74 L HA 0.644 4.984 4.340 -0.000 0.000 0.274 74 L C -0.120 176.768 176.870 0.031 0.000 0.988 74 L CA -0.936 53.923 54.840 0.031 0.000 0.833 74 L CB 1.531 43.610 42.059 0.033 0.000 1.236 74 L HN 0.421 nan 8.230 nan 0.000 0.410 75 V N 5.965 125.891 119.914 0.019 0.000 2.540 75 V HA 0.333 4.452 4.120 -0.000 0.000 0.297 75 V C 0.574 176.689 176.094 0.036 0.000 1.024 75 V CA 0.016 62.327 62.300 0.019 0.000 1.105 75 V CB -0.324 31.507 31.823 0.013 0.000 0.938 75 V HN 0.735 nan 8.190 nan 0.000 0.482 76 R N 3.607 124.133 120.500 0.043 0.000 2.771 76 R HA 0.549 4.889 4.340 -0.000 0.000 0.274 76 R C -1.038 175.292 176.300 0.050 0.000 0.987 76 R CA -1.091 55.038 56.100 0.047 0.000 0.908 76 R CB 2.468 32.802 30.300 0.056 0.000 1.213 76 R HN 0.595 nan 8.270 nan 0.000 0.468 77 L N 2.631 123.881 121.223 0.045 0.000 2.360 77 L HA 0.262 4.602 4.340 -0.000 0.000 0.276 77 L C 0.179 177.078 176.870 0.048 0.000 1.121 77 L CA -0.131 54.734 54.840 0.043 0.000 0.845 77 L CB 0.425 42.505 42.059 0.035 0.000 1.143 77 L HN 0.395 nan 8.230 nan 0.000 0.452 78 R N 5.355 125.883 120.500 0.047 0.000 2.570 78 R HA 0.046 4.386 4.340 -0.000 0.000 0.277 78 R C -1.535 174.790 176.300 0.041 0.000 1.039 78 R CA -0.964 55.166 56.100 0.050 0.000 1.065 78 R CB 0.572 30.892 30.300 0.033 0.000 0.964 78 R HN 0.482 nan 8.270 nan 0.000 0.428 79 P HA -0.137 nan 4.420 nan 0.000 0.216 79 P C -0.835 176.480 177.300 0.025 0.000 1.153 79 P CA 1.386 64.511 63.100 0.041 0.000 0.848 79 P CB 0.365 32.099 31.700 0.057 0.000 0.787 80 E N -0.809 119.401 120.200 0.016 0.000 2.373 80 E HA 0.293 4.643 4.350 -0.000 0.000 0.251 80 E C -2.543 174.049 176.600 -0.014 0.000 0.923 80 E CA -2.027 54.373 56.400 -0.001 0.000 0.798 80 E CB 1.160 30.855 29.700 -0.007 0.000 1.303 80 E HN 0.090 nan 8.360 nan 0.000 0.412 81 P HA -0.044 nan 4.420 nan 0.000 0.269 81 P C -0.474 176.813 177.300 -0.022 0.000 1.217 81 P CA -0.308 62.786 63.100 -0.010 0.000 0.783 81 P CB 0.513 32.214 31.700 0.002 0.000 0.898 82 N N 2.008 120.694 118.700 -0.023 0.000 2.589 82 N HA 0.181 4.921 4.740 -0.000 0.000 0.232 82 N C -1.984 173.519 175.510 -0.011 0.000 1.015 82 N CA -2.283 50.751 53.050 -0.027 0.000 0.931 82 N CB 0.417 38.884 38.487 -0.034 0.000 1.150 82 N HN 0.072 nan 8.380 nan 0.000 0.512 83 P HA -0.053 nan 4.420 nan 0.000 0.220 83 P C 0.559 177.859 177.300 -0.000 0.000 1.144 83 P CA 1.129 64.228 63.100 -0.003 0.000 0.800 83 P CB 0.338 32.035 31.700 -0.005 0.000 0.772 84 R N -1.662 118.836 120.500 -0.002 0.000 2.297 84 R HA 0.172 4.512 4.340 -0.000 0.000 0.197 84 R C 0.450 176.758 176.300 0.013 0.000 0.943 84 R CA 0.233 56.334 56.100 0.002 0.000 1.038 84 R CB -0.118 30.181 30.300 -0.002 0.000 0.957 84 R HN 0.219 nan 8.270 nan 0.000 0.484 85 L N -0.417 120.815 121.223 0.016 0.000 2.329 85 L HA 0.401 4.741 4.340 -0.000 0.000 0.279 85 L C 1.052 177.940 176.870 0.030 0.000 1.014 85 L CA -0.685 54.172 54.840 0.029 0.000 0.814 85 L CB 1.752 43.828 42.059 0.029 0.000 1.257 85 L HN 0.027 nan 8.230 nan 0.000 0.424 86 A N 1.451 124.295 122.820 0.041 0.000 1.978 86 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 86 A C 1.648 179.255 177.584 0.039 0.000 1.170 86 A CA 2.117 54.179 52.037 0.041 0.000 0.636 86 A CB -0.595 18.436 19.000 0.051 0.000 0.810 86 A HN 0.827 nan 8.150 nan 0.000 0.448 87 T N -3.917 110.659 114.554 0.036 0.000 3.186 87 T HA 0.349 4.699 4.350 -0.000 0.000 0.257 87 T C 1.377 176.090 174.700 0.022 0.000 1.029 87 T CA 0.607 62.722 62.100 0.025 0.000 0.916 87 T CB 0.325 69.202 68.868 0.015 0.000 1.041 87 T HN 0.313 nan 8.240 nan 0.000 0.562 88 G N 1.787 110.600 108.800 0.021 0.000 2.586 88 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.215 88 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.215 88 G C 1.534 176.441 174.900 0.011 0.000 1.128 88 G CA -0.161 44.946 45.100 0.012 0.000 0.774 88 G HN 0.491 nan 8.290 nan 0.000 0.543 89 R N -0.840 119.672 120.500 0.020 0.000 2.334 89 R HA 0.320 4.660 4.340 -0.000 0.000 0.216 89 R C 0.075 176.393 176.300 0.029 0.000 0.905 89 R CA 0.112 56.226 56.100 0.023 0.000 1.064 89 R CB 0.659 30.975 30.300 0.027 0.000 1.046 89 R HN 0.356 nan 8.270 nan 0.000 0.508 90 V N -2.507 117.424 119.914 0.029 0.000 3.181 90 V HA 0.683 4.803 4.120 -0.000 0.000 0.308 90 V C -1.249 174.865 176.094 0.034 0.000 1.214 90 V CA -1.177 61.144 62.300 0.034 0.000 1.053 90 V CB 2.398 34.240 31.823 0.032 0.000 1.069 90 V HN 0.260 nan 8.190 nan 0.000 0.441 91 E N -0.034 120.192 120.200 0.043 0.000 2.429 91 E HA 0.726 5.076 4.350 -0.000 0.000 0.280 91 E C -1.861 174.770 176.600 0.051 0.000 1.068 91 E CA -1.126 55.306 56.400 0.054 0.000 0.837 91 E CB 2.132 31.889 29.700 0.095 0.000 1.357 91 E HN 0.765 nan 8.360 nan 0.000 0.455 92 V N -0.012 119.933 119.914 0.051 0.000 2.459 92 V HA 0.387 4.507 4.120 -0.000 0.000 0.295 92 V C -0.264 175.870 176.094 0.066 0.000 1.029 92 V CA -0.780 61.546 62.300 0.044 0.000 0.874 92 V CB 1.355 33.190 31.823 0.020 0.000 0.985 92 V HN 0.797 nan 8.190 nan 0.000 0.438 93 E N 4.027 124.276 120.200 0.081 0.000 1.932 93 E HA 0.326 4.676 4.350 -0.000 0.000 0.259 93 E C -0.384 176.270 176.600 0.090 0.000 1.099 93 E CA -0.461 56.013 56.400 0.122 0.000 0.970 93 E CB 0.275 30.055 29.700 0.134 0.000 1.143 93 E HN 0.650 nan 8.360 nan 0.000 0.441 94 L N 3.360 124.619 121.223 0.060 0.000 2.806 94 L HA -0.152 4.188 4.340 -0.000 0.000 0.282 94 L C 1.143 178.047 176.870 0.056 0.000 1.166 94 L CA 0.107 54.972 54.840 0.043 0.000 0.969 94 L CB 0.101 42.170 42.059 0.017 0.000 1.304 94 L HN 0.564 nan 8.230 nan 0.000 0.474 95 S N 1.858 117.584 115.700 0.043 0.000 2.478 95 S HA 0.300 4.770 4.470 -0.000 0.000 0.222 95 S C 0.603 175.224 174.600 0.034 0.000 1.008 95 S CA 0.516 58.739 58.200 0.040 0.000 0.928 95 S CB 0.376 63.594 63.200 0.030 0.000 0.781 95 S HN 0.792 nan 8.310 nan 0.000 0.518 96 A N 0.374 123.210 122.820 0.028 0.000 2.608 96 A HA 0.746 5.066 4.320 -0.000 0.000 0.292 96 A C -2.237 175.355 177.584 0.014 0.000 1.066 96 A CA -0.611 51.439 52.037 0.022 0.000 0.676 96 A CB 1.088 20.098 19.000 0.016 0.000 1.277 96 A HN 0.183 nan 8.150 nan 0.000 0.413 97 L N 0.502 121.732 121.223 0.012 0.000 2.543 97 L HA 0.717 5.057 4.340 -0.000 0.000 0.265 97 L C -0.768 176.109 176.870 0.011 0.000 0.945 97 L CA 0.119 54.963 54.840 0.007 0.000 0.869 97 L CB 1.982 44.041 42.059 0.001 0.000 1.294 97 L HN 0.908 nan 8.230 nan 0.000 0.405 98 E N 3.734 123.937 120.200 0.005 0.000 2.256 98 E HA 0.564 4.914 4.350 -0.000 0.000 0.268 98 E C -1.573 175.026 176.600 -0.002 0.000 0.877 98 E CA -0.837 55.564 56.400 0.002 0.000 0.757 98 E CB 2.092 31.784 29.700 -0.014 0.000 1.183 98 E HN 0.420 nan 8.360 nan 0.000 0.418 99 V N 6.656 126.577 119.914 0.011 0.000 2.415 99 V HA 0.026 4.146 4.120 -0.000 0.000 0.267 99 V C 1.213 177.242 176.094 -0.109 0.000 1.042 99 V CA 0.274 62.560 62.300 -0.024 0.000 1.000 99 V CB 0.459 32.262 31.823 -0.033 0.000 1.015 99 V HN 0.826 nan 8.190 nan 0.000 0.478 100 L N 3.971 125.108 121.223 -0.143 0.000 2.307 100 L HA 0.440 4.780 4.340 -0.000 0.000 0.211 100 L C 0.923 177.669 176.870 -0.208 0.000 1.099 100 L CA 0.876 55.617 54.840 -0.165 0.000 0.816 100 L CB 0.085 42.033 42.059 -0.185 0.000 0.952 100 L HN 0.788 nan 8.230 nan 0.000 0.455 101 A N -0.169 122.482 122.820 -0.281 0.000 2.562 101 A HA 0.369 4.689 4.320 -0.000 0.000 0.305 101 A C -0.716 176.517 177.584 -0.585 0.000 1.059 101 A CA -0.749 51.079 52.037 -0.348 0.000 0.835 101 A CB 0.577 19.431 19.000 -0.243 0.000 1.299 101 A HN 0.073 nan 8.150 nan 0.000 0.392 102 E N 0.458 120.155 120.200 -0.839 0.000 2.397 102 E HA 0.602 4.952 4.350 -0.000 0.000 0.254 102 E C 0.239 176.375 176.600 -0.773 0.000 1.231 102 E CA 0.156 55.630 56.400 -1.543 0.000 0.954 102 E CB 1.093 30.005 29.700 -1.313 0.000 1.024 102 E HN 1.233 nan 8.360 nan 0.000 0.481 103 A N 1.307 123.800 122.820 -0.545 0.000 2.517 103 A HA 0.318 4.638 4.320 -0.000 0.000 0.297 103 A C -0.898 176.798 177.584 0.187 0.000 1.050 103 A CA -1.011 51.013 52.037 -0.021 0.000 0.694 103 A CB 1.048 20.121 19.000 0.122 0.000 1.277 103 A HN 0.562 nan 8.150 nan 0.000 0.400 104 K N 0.941 121.408 120.400 0.112 0.000 2.138 104 K HA 0.517 4.837 4.320 -0.000 0.000 0.251 104 K C -0.380 176.273 176.600 0.088 0.000 1.015 104 K CA -0.240 56.114 56.287 0.111 0.000 0.917 104 K CB 0.246 32.784 32.500 0.062 0.000 1.021 104 K HN 0.424 nan 8.250 nan 0.000 0.485 105 T N 3.356 117.943 114.554 0.055 0.000 2.902 105 T HA 0.111 4.461 4.350 -0.000 0.000 0.301 105 T C -2.200 172.456 174.700 -0.073 0.000 1.012 105 T CA -0.769 61.337 62.100 0.009 0.000 1.151 105 T CB 0.207 69.075 68.868 -0.002 0.000 0.946 105 T HN 0.483 nan 8.240 nan 0.000 0.542 106 P HA 0.170 nan 4.420 nan 0.000 0.271 106 P C -1.645 175.415 177.300 -0.400 0.000 1.216 106 P CA -1.474 61.445 63.100 -0.302 0.000 0.776 106 P CB 0.104 31.643 31.700 -0.268 0.000 0.881 107 P HA -0.070 nan 4.420 nan 0.000 0.221 107 P C -0.158 176.965 177.300 -0.295 0.000 1.145 107 P CA 1.358 64.129 63.100 -0.549 0.000 0.795 107 P CB -0.148 31.003 31.700 -0.915 0.000 0.775 108 F N -2.198 117.659 119.950 -0.156 0.000 2.645 108 F HA 0.744 5.271 4.527 -0.000 0.000 0.310 108 F C -3.103 172.665 175.800 -0.054 0.000 1.102 108 F CA -3.641 54.309 58.000 -0.084 0.000 0.952 108 F CB -0.094 38.863 39.000 -0.072 0.000 1.326 108 F HN -0.379 nan 8.300 nan 0.000 0.456 109 P HA 0.369 nan 4.420 nan 0.000 0.276 109 P C -0.252 177.196 177.300 0.247 0.000 1.252 109 P CA -0.326 62.875 63.100 0.169 0.000 0.802 109 P CB 2.151 33.915 31.700 0.108 0.000 1.035 110 V N -2.828 117.201 119.914 0.192 0.000 3.047 110 V HA 0.237 4.357 4.120 -0.000 0.000 0.374 110 V C 0.298 176.560 176.094 0.279 0.000 1.399 110 V CA -0.017 62.418 62.300 0.224 0.000 1.251 110 V CB -0.100 31.855 31.823 0.220 0.000 1.228 110 V HN 0.551 nan 8.190 nan 0.000 0.589 111 D N 0.622 121.154 120.400 0.221 0.000 2.457 111 D HA 0.263 4.903 4.640 -0.000 0.000 0.254 111 D C 1.736 178.167 176.300 0.218 0.000 1.097 111 D CA 0.967 55.139 54.000 0.287 0.000 0.870 111 D CB 0.659 41.567 40.800 0.180 0.000 1.253 111 D HN 0.386 nan 8.370 nan 0.000 0.500 112 A N 1.646 124.529 122.820 0.104 0.000 1.869 112 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 112 A C 2.434 180.023 177.584 0.008 0.000 1.203 112 A CA 2.750 54.815 52.037 0.047 0.000 0.638 112 A CB -1.719 17.287 19.000 0.009 0.000 0.831 112 A HN 0.361 nan 8.150 nan 0.000 0.450 113 G N -1.976 106.774 108.800 -0.084 0.000 2.507 113 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.221 113 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.221 113 G C 1.293 176.035 174.900 -0.264 0.000 1.119 113 G CA 0.987 45.950 45.100 -0.229 0.000 0.751 113 G HN 0.715 nan 8.290 nan 0.000 0.574 114 W N 0.173 121.462 121.300 -0.018 0.000 2.699 114 W HA 0.208 4.868 4.660 -0.000 0.000 0.249 114 W C 2.565 179.077 176.519 -0.010 0.000 1.280 114 W CA 0.089 57.425 57.345 -0.015 0.000 1.345 114 W CB 0.247 29.703 29.460 -0.007 0.000 1.128 114 W HN 0.121 nan 8.180 nan 0.000 0.642 115 R N -0.535 120.054 120.500 0.149 0.000 2.334 115 R HA 0.257 4.597 4.340 -0.000 0.000 0.212 115 R C 1.486 177.804 176.300 0.030 0.000 0.897 115 R CA 0.624 56.775 56.100 0.086 0.000 1.056 115 R CB 0.359 30.697 30.300 0.063 0.000 1.046 115 R HN 0.083 nan 8.270 nan 0.000 0.513 116 G N 1.514 110.309 108.800 -0.007 0.000 2.141 116 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.231 116 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.231 116 G C -0.329 174.545 174.900 -0.044 0.000 0.984 116 G CA -0.336 44.741 45.100 -0.039 0.000 0.660 116 G HN 0.335 nan 8.290 nan 0.000 0.525 117 E N 0.829 121.006 120.200 -0.038 0.000 2.313 117 E HA 0.415 4.765 4.350 -0.000 0.000 0.272 117 E C 0.551 177.118 176.600 -0.056 0.000 1.038 117 E CA -0.340 56.038 56.400 -0.037 0.000 0.863 117 E CB 0.544 30.232 29.700 -0.019 0.000 1.060 117 E HN 0.637 nan 8.360 nan 0.000 0.402 118 E N 2.260 122.429 120.200 -0.051 0.000 2.168 118 E HA -0.034 4.316 4.350 -0.000 0.000 0.254 118 E C -0.514 176.049 176.600 -0.061 0.000 1.228 118 E CA 0.071 56.435 56.400 -0.060 0.000 0.956 118 E CB 0.097 29.766 29.700 -0.051 0.000 1.031 118 E HN 0.317 nan 8.360 nan 0.000 0.441 119 E N 3.268 123.419 120.200 -0.081 0.000 2.467 119 E HA -0.109 4.241 4.350 -0.000 0.000 0.264 119 E C 0.421 176.979 176.600 -0.070 0.000 1.020 119 E CA 0.093 56.446 56.400 -0.079 0.000 0.945 119 E CB 0.690 30.323 29.700 -0.112 0.000 0.942 119 E HN 0.460 nan 8.360 nan 0.000 0.449 120 K N 2.677 123.041 120.400 -0.059 0.000 2.386 120 K HA 0.211 4.531 4.320 -0.000 0.000 0.249 120 K C -0.323 176.227 176.600 -0.083 0.000 1.055 120 K CA -0.144 56.109 56.287 -0.056 0.000 0.930 120 K CB 0.316 32.794 32.500 -0.035 0.000 1.230 120 K HN 0.459 nan 8.250 nan 0.000 0.507 121 E N 0.125 120.275 120.200 -0.083 0.000 2.873 121 E HA 0.286 4.636 4.350 -0.000 0.000 0.232 121 E C -1.049 175.478 176.600 -0.122 0.000 1.123 121 E CA -0.460 55.875 56.400 -0.109 0.000 0.809 121 E CB 1.465 31.113 29.700 -0.086 0.000 1.366 121 E HN 0.627 nan 8.360 nan 0.000 0.400 122 A N 1.924 124.631 122.820 -0.189 0.000 2.520 122 A HA 0.150 4.470 4.320 -0.000 0.000 0.235 122 A C 0.726 178.214 177.584 -0.161 0.000 1.065 122 A CA -0.195 51.725 52.037 -0.195 0.000 0.764 122 A CB 0.170 18.914 19.000 -0.428 0.000 1.002 122 A HN 0.560 nan 8.150 nan 0.000 0.502 123 S N 1.517 117.169 115.700 -0.080 0.000 2.558 123 S HA 0.017 4.487 4.470 -0.000 0.000 0.291 123 S C 0.847 175.406 174.600 -0.068 0.000 1.306 123 S CA 0.266 58.435 58.200 -0.051 0.000 1.056 123 S CB 0.693 63.890 63.200 -0.005 0.000 0.836 123 S HN 0.755 nan 8.310 nan 0.000 0.504 124 E N 1.640 121.805 120.200 -0.058 0.000 2.130 124 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 124 E C 2.004 178.594 176.600 -0.017 0.000 0.998 124 E CA 1.799 58.167 56.400 -0.054 0.000 0.806 124 E CB -0.146 29.532 29.700 -0.037 0.000 0.738 124 E HN 1.026 nan 8.360 nan 0.000 0.459 125 E N 0.296 120.501 120.200 0.008 0.000 2.409 125 E HA -0.139 4.210 4.350 -0.000 0.000 0.198 125 E C 1.963 178.610 176.600 0.079 0.000 1.024 125 E CA 0.485 56.907 56.400 0.036 0.000 0.861 125 E CB -0.032 29.690 29.700 0.037 0.000 0.788 125 E HN 0.245 nan 8.360 nan 0.000 0.521 126 L N -0.078 121.203 121.223 0.096 0.000 2.221 126 L HA 0.124 4.464 4.340 -0.000 0.000 0.202 126 L C 2.600 179.662 176.870 0.320 0.000 1.074 126 L CA 0.347 55.336 54.840 0.248 0.000 0.795 126 L CB 0.012 42.217 42.059 0.244 0.000 0.960 126 L HN 0.050 nan 8.230 nan 0.000 0.458 127 R N -0.584 119.929 120.500 0.022 0.000 2.081 127 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 127 R C 2.092 178.430 176.300 0.063 0.000 1.131 127 R CA 1.085 57.139 56.100 -0.075 0.000 0.960 127 R CB -0.429 29.720 30.300 -0.251 0.000 0.856 127 R HN 0.140 nan 8.270 nan 0.000 0.436 128 L N 1.422 122.668 121.223 0.038 0.000 1.970 128 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 128 L C 2.279 179.180 176.870 0.051 0.000 1.071 128 L CA 1.818 56.685 54.840 0.046 0.000 0.751 128 L CB -0.533 41.548 42.059 0.036 0.000 0.889 128 L HN 0.002 nan 8.230 nan 0.000 0.432 129 K N -1.769 118.643 120.400 0.021 0.000 2.442 129 K HA -0.177 4.143 4.320 -0.000 0.000 0.199 129 K C 0.506 176.839 176.600 -0.444 0.000 1.044 129 K CA 1.484 57.682 56.287 -0.148 0.000 0.941 129 K CB -0.089 32.310 32.500 -0.167 0.000 0.759 129 K HN 0.411 nan 8.250 nan 0.000 0.472 130 Y N -1.405 118.878 120.300 -0.028 0.000 2.738 130 Y HA 0.258 4.808 4.550 -0.000 0.000 0.249 130 Y C 0.987 176.651 175.900 -0.393 0.000 1.153 130 Y CA -0.743 57.122 58.100 -0.393 0.000 1.165 130 Y CB 0.538 38.805 38.460 -0.322 0.000 1.235 130 Y HN -0.120 nan 8.280 nan 0.000 0.559 131 R N 0.986 121.486 120.500 -0.000 0.000 2.265 131 R HA -0.306 4.034 4.340 -0.000 0.000 0.268 131 R C 1.489 177.828 176.300 0.065 0.000 1.178 131 R CA 2.707 58.839 56.100 0.053 0.000 1.005 131 R CB -0.990 29.383 30.300 0.122 0.000 0.891 131 R HN 0.666 nan 8.270 nan 0.000 0.472 132 Y N -2.400 118.044 120.300 0.239 0.000 2.352 132 Y HA 0.059 4.609 4.550 -0.000 0.000 0.292 132 Y C 1.879 177.870 175.900 0.153 0.000 1.136 132 Y CA 0.741 58.959 58.100 0.197 0.000 1.227 132 Y CB -0.546 38.050 38.460 0.227 0.000 0.991 132 Y HN -0.015 nan 8.280 nan 0.000 0.545 133 L N 0.122 121.328 121.223 -0.027 0.000 2.209 133 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 133 L C 2.069 179.086 176.870 0.246 0.000 1.094 133 L CA 1.271 56.146 54.840 0.059 0.000 0.790 133 L CB -0.398 41.525 42.059 -0.226 0.000 0.932 133 L HN 0.187 nan 8.230 nan 0.000 0.447 134 D N 0.717 121.320 120.400 0.337 0.000 2.178 134 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 134 D C 2.000 178.339 176.300 0.066 0.000 0.980 134 D CA 1.255 55.384 54.000 0.215 0.000 0.842 134 D CB 0.012 40.828 40.800 0.026 0.000 0.948 134 D HN 0.225 nan 8.370 nan 0.000 0.472 135 L N -0.221 121.023 121.223 0.036 0.000 2.610 135 L HA 0.143 4.483 4.340 -0.000 0.000 0.232 135 L C 2.202 179.090 176.870 0.030 0.000 1.149 135 L CA 0.145 54.977 54.840 -0.013 0.000 0.872 135 L CB -0.101 41.915 42.059 -0.071 0.000 0.992 135 L HN -0.036 nan 8.230 nan 0.000 0.447 136 R N -0.233 120.308 120.500 0.068 0.000 2.240 136 R HA 0.066 4.405 4.340 -0.000 0.000 0.203 136 R C 0.696 177.175 176.300 0.298 0.000 1.011 136 R CA 0.018 56.159 56.100 0.069 0.000 1.007 136 R CB 0.050 30.347 30.300 -0.005 0.000 0.911 136 R HN 0.345 nan 8.270 nan 0.000 0.468 137 R N 0.777 121.377 120.500 0.167 0.000 2.784 137 R HA 0.008 4.348 4.340 -0.000 0.000 0.266 137 R C 1.251 177.439 176.300 -0.186 0.000 1.044 137 R CA 0.045 56.166 56.100 0.036 0.000 1.151 137 R CB 0.452 30.715 30.300 -0.063 0.000 1.037 137 R HN 0.092 nan 8.270 nan 0.000 0.478 138 R N 1.270 121.352 120.500 -0.696 0.000 2.093 138 R HA -0.077 4.263 4.340 -0.000 0.000 0.224 138 R C 2.226 178.235 176.300 -0.485 0.000 1.101 138 R CA 1.132 56.619 56.100 -1.023 0.000 0.979 138 R CB 0.051 29.482 30.300 -1.447 0.000 0.877 138 R HN 0.476 nan 8.270 nan 0.000 0.441 139 R N -0.171 120.123 120.500 -0.343 0.000 2.081 139 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 139 R C 2.133 178.333 176.300 -0.167 0.000 1.131 139 R CA 1.477 57.443 56.100 -0.224 0.000 0.960 139 R CB -0.033 30.160 30.300 -0.178 0.000 0.856 139 R HN 0.135 nan 8.270 nan 0.000 0.436 140 M N 0.764 120.274 119.600 -0.150 0.000 2.084 140 M HA -0.218 4.262 4.480 -0.000 0.000 0.259 140 M C 2.153 178.398 176.300 -0.092 0.000 1.072 140 M CA 1.741 56.974 55.300 -0.111 0.000 1.107 140 M CB -1.434 31.105 32.600 -0.101 0.000 1.299 140 M HN 0.173 nan 8.290 nan 0.000 0.413 141 Q N -0.085 119.669 119.800 -0.076 0.000 2.133 141 Q HA -0.242 4.098 4.340 -0.000 0.000 0.208 141 Q C 2.016 177.978 176.000 -0.062 0.000 0.991 141 Q CA 1.802 57.582 55.803 -0.039 0.000 0.867 141 Q CB -0.454 28.308 28.738 0.040 0.000 0.911 141 Q HN 0.630 nan 8.270 nan 0.000 0.417 142 E N 0.421 120.555 120.200 -0.109 0.000 2.110 142 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 142 E C 1.641 178.197 176.600 -0.072 0.000 0.988 142 E CA 1.029 57.369 56.400 -0.100 0.000 0.804 142 E CB -0.037 29.582 29.700 -0.136 0.000 0.745 142 E HN 0.450 nan 8.360 nan 0.000 0.458 143 N N 0.338 118.994 118.700 -0.072 0.000 2.132 143 N HA -0.060 4.680 4.740 -0.000 0.000 0.187 143 N C 1.981 177.474 175.510 -0.029 0.000 1.038 143 N CA 0.450 53.468 53.050 -0.052 0.000 0.846 143 N CB -0.069 38.384 38.487 -0.056 0.000 1.012 143 N HN 0.016 nan 8.380 nan 0.000 0.429 144 L N 1.193 122.399 121.223 -0.029 0.000 2.103 144 L HA -0.225 4.115 4.340 -0.000 0.000 0.215 144 L C 2.336 179.223 176.870 0.028 0.000 1.080 144 L CA 1.435 56.274 54.840 -0.002 0.000 0.764 144 L CB -0.402 41.649 42.059 -0.013 0.000 0.890 144 L HN 0.268 nan 8.230 nan 0.000 0.435 145 R N -0.889 119.611 120.500 0.000 0.000 2.161 145 R HA -0.064 4.276 4.340 -0.000 0.000 0.213 145 R C 2.089 178.400 176.300 0.018 0.000 1.055 145 R CA 0.475 56.574 56.100 -0.003 0.000 0.996 145 R CB -0.135 30.131 30.300 -0.056 0.000 0.901 145 R HN 0.217 nan 8.270 nan 0.000 0.456 146 L N 1.379 122.600 121.223 -0.004 0.000 2.056 146 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 146 L C 2.439 179.320 176.870 0.018 0.000 1.078 146 L CA 1.661 56.492 54.840 -0.015 0.000 0.749 146 L CB -0.415 41.615 42.059 -0.048 0.000 0.901 146 L HN -0.067 nan 8.230 nan 0.000 0.433 147 R N -1.230 119.292 120.500 0.036 0.000 2.097 147 R HA -0.287 4.053 4.340 -0.000 0.000 0.236 147 R C 2.442 178.813 176.300 0.118 0.000 1.135 147 R CA 2.159 58.297 56.100 0.063 0.000 0.934 147 R CB -0.708 29.632 30.300 0.067 0.000 0.846 147 R HN 0.697 nan 8.270 nan 0.000 0.431 148 H N -0.260 118.825 119.070 0.025 0.000 2.254 148 H HA -0.156 4.400 4.556 -0.000 0.000 0.294 148 H C 2.236 177.585 175.328 0.035 0.000 1.071 148 H CA 2.368 58.437 56.048 0.036 0.000 1.228 148 H CB -0.070 29.707 29.762 0.025 0.000 1.358 148 H HN 0.165 nan 8.280 nan 0.000 0.495 149 R N -0.184 120.539 120.500 0.373 0.000 2.134 149 R HA -0.198 4.142 4.340 -0.000 0.000 0.248 149 R C 2.495 178.859 176.300 0.108 0.000 1.143 149 R CA 1.821 58.061 56.100 0.233 0.000 0.957 149 R CB -0.550 29.806 30.300 0.093 0.000 0.867 149 R HN 0.266 nan 8.270 nan 0.000 0.441 150 V N 1.123 121.074 119.914 0.061 0.000 2.220 150 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 150 V C 2.287 178.425 176.094 0.073 0.000 1.049 150 V CA 2.083 64.402 62.300 0.032 0.000 1.003 150 V CB -0.379 31.450 31.823 0.009 0.000 0.634 150 V HN 0.316 nan 8.190 nan 0.000 0.444 151 I N -0.151 120.469 120.570 0.082 0.000 2.163 151 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 151 I C 2.580 178.803 176.117 0.177 0.000 1.085 151 I CA 1.842 63.215 61.300 0.122 0.000 1.347 151 I CB -0.375 37.702 38.000 0.128 0.000 1.044 151 I HN 0.273 nan 8.210 nan 0.000 0.408 152 K N 1.639 122.078 120.400 0.066 0.000 2.211 152 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 152 K C 1.771 178.473 176.600 0.170 0.000 1.047 152 K CA 1.745 58.066 56.287 0.057 0.000 0.935 152 K CB -0.277 32.182 32.500 -0.067 0.000 0.728 152 K HN 0.340 nan 8.250 nan 0.000 0.452 153 A N -0.056 122.866 122.820 0.170 0.000 2.072 153 A HA 0.124 4.444 4.320 -0.000 0.000 0.216 153 A C 2.081 179.801 177.584 0.225 0.000 1.156 153 A CA 0.653 52.847 52.037 0.262 0.000 0.701 153 A CB -0.322 18.801 19.000 0.204 0.000 0.816 153 A HN 0.300 nan 8.150 nan 0.000 0.458 154 I N -2.243 118.383 120.570 0.093 0.000 2.315 154 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 154 I C 2.352 178.287 176.117 -0.304 0.000 1.117 154 I CA 1.088 62.303 61.300 -0.141 0.000 1.404 154 I CB -0.236 37.613 38.000 -0.252 0.000 1.071 154 I HN 0.526 nan 8.210 nan 0.000 0.419 155 W N 1.649 122.799 121.300 -0.250 0.000 2.381 155 W HA -0.180 4.480 4.660 -0.000 0.000 0.323 155 W C 2.308 178.741 176.519 -0.143 0.000 1.194 155 W CA 1.472 58.686 57.345 -0.219 0.000 1.296 155 W CB -0.795 28.671 29.460 0.009 0.000 1.175 155 W HN 0.061 nan 8.180 nan 0.000 0.465 156 D N -0.592 119.956 120.400 0.247 0.000 2.268 156 D HA -0.317 4.323 4.640 -0.000 0.000 0.189 156 D C 1.781 178.091 176.300 0.017 0.000 1.010 156 D CA 2.172 56.261 54.000 0.148 0.000 0.862 156 D CB -1.046 39.876 40.800 0.203 0.000 0.943 156 D HN 0.026 nan 8.370 nan 0.000 0.451 157 F N 0.476 120.256 119.950 -0.284 0.000 2.060 157 F HA -0.066 4.461 4.527 -0.000 0.000 0.295 157 F C 2.221 177.828 175.800 -0.323 0.000 1.120 157 F CA 1.213 58.958 58.000 -0.424 0.000 1.205 157 F CB -0.446 38.218 39.000 -0.559 0.000 0.986 157 F HN -0.063 nan 8.300 nan 0.000 0.470 158 L N 0.127 121.106 121.223 -0.407 0.000 2.083 158 L HA -0.249 4.091 4.340 -0.000 0.000 0.209 158 L C 2.453 179.201 176.870 -0.202 0.000 1.083 158 L CA 1.809 56.291 54.840 -0.596 0.000 0.752 158 L CB -0.999 40.376 42.059 -1.141 0.000 0.899 158 L HN 0.342 nan 8.230 nan 0.000 0.433 159 D N 0.633 120.965 120.400 -0.114 0.000 2.092 159 D HA -0.284 4.356 4.640 -0.000 0.000 0.193 159 D C 2.214 178.527 176.300 0.021 0.000 0.994 159 D CA 1.482 55.540 54.000 0.096 0.000 0.828 159 D CB -0.015 40.909 40.800 0.206 0.000 0.963 159 D HN 0.195 nan 8.370 nan 0.000 0.450 160 R N 0.284 120.740 120.500 -0.074 0.000 2.139 160 R HA -0.103 4.237 4.340 -0.000 0.000 0.243 160 R C 0.815 177.028 176.300 -0.145 0.000 1.145 160 R CA 1.093 57.127 56.100 -0.111 0.000 0.976 160 R CB 0.071 30.269 30.300 -0.170 0.000 0.866 160 R HN 0.255 nan 8.270 nan 0.000 0.449 161 E N -0.228 119.853 120.200 -0.198 0.000 2.336 161 E HA 0.082 4.432 4.350 -0.000 0.000 0.214 161 E C 0.182 176.837 176.600 0.091 0.000 1.144 161 E CA 0.344 56.684 56.400 -0.101 0.000 1.294 161 E CB 0.609 30.199 29.700 -0.183 0.000 1.263 161 E HN 0.509 nan 8.360 nan 0.000 0.439 162 G N 1.634 110.463 108.800 0.049 0.000 2.422 162 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.301 162 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.301 162 G C -0.171 174.755 174.900 0.043 0.000 0.981 162 G CA 0.285 45.410 45.100 0.042 0.000 0.994 162 G HN 0.229 nan 8.290 nan 0.000 0.514 163 F N -1.021 118.933 119.950 0.006 0.000 2.385 163 F HA 0.516 5.043 4.527 -0.000 0.000 0.336 163 F C 0.768 176.639 175.800 0.119 0.000 1.100 163 F CA -0.783 57.264 58.000 0.078 0.000 1.116 163 F CB 1.778 40.852 39.000 0.123 0.000 1.166 163 F HN -0.003 nan 8.300 nan 0.000 0.511 164 V N 3.998 124.016 119.914 0.173 0.000 2.407 164 V HA 0.203 4.323 4.120 -0.000 0.000 0.278 164 V C 0.010 176.019 176.094 -0.143 0.000 1.037 164 V CA -0.895 61.438 62.300 0.056 0.000 0.900 164 V CB 1.195 33.041 31.823 0.038 0.000 0.983 164 V HN 0.574 nan 8.190 nan 0.000 0.459 165 Q N 3.865 123.415 119.800 -0.416 0.000 2.293 165 Q HA 0.385 4.725 4.340 -0.000 0.000 0.263 165 Q C -1.314 174.497 176.000 -0.315 0.000 1.002 165 Q CA 0.042 55.281 55.803 -0.940 0.000 0.910 165 Q CB 1.468 29.531 28.738 -1.125 0.000 1.185 165 Q HN 0.596 nan 8.270 nan 0.000 0.401 166 V N 4.616 124.449 119.914 -0.136 0.000 2.577 166 V HA 0.259 4.379 4.120 -0.000 0.000 0.303 166 V C -0.778 175.351 176.094 0.059 0.000 1.042 166 V CA -0.855 61.462 62.300 0.028 0.000 0.872 166 V CB 2.051 33.917 31.823 0.073 0.000 0.998 166 V HN 0.746 nan 8.190 nan 0.000 0.423 167 E N 2.209 122.418 120.200 0.016 0.000 2.194 167 E HA 0.429 4.779 4.350 -0.000 0.000 0.284 167 E C -0.171 176.409 176.600 -0.034 0.000 1.035 167 E CA -0.143 56.279 56.400 0.036 0.000 0.836 167 E CB 1.275 31.018 29.700 0.072 0.000 1.070 167 E HN 0.607 nan 8.360 nan 0.000 0.401 168 T N 3.529 118.035 114.554 -0.080 0.000 2.902 168 T HA 0.295 4.645 4.350 -0.000 0.000 0.280 168 T C -2.109 172.385 174.700 -0.344 0.000 0.992 168 T CA -1.649 60.273 62.100 -0.298 0.000 1.015 168 T CB 0.757 69.462 68.868 -0.270 0.000 1.044 168 T HN 0.258 nan 8.240 nan 0.000 0.520 169 P HA 0.113 nan 4.420 nan 0.000 0.269 169 P C -0.313 176.834 177.300 -0.255 0.000 1.211 169 P CA 0.307 63.164 63.100 -0.404 0.000 0.781 169 P CB 0.336 31.648 31.700 -0.647 0.000 0.877 170 F N -0.487 119.350 119.950 -0.189 0.000 2.711 170 F HA 0.278 4.805 4.527 -0.000 0.000 0.296 170 F C 0.711 176.396 175.800 -0.193 0.000 1.096 170 F CA 0.230 58.131 58.000 -0.165 0.000 1.280 170 F CB 0.381 39.289 39.000 -0.154 0.000 1.060 170 F HN 0.046 nan 8.300 nan 0.000 0.608 171 L N 1.305 122.503 121.223 -0.042 0.000 2.283 171 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 171 L C -0.203 176.663 176.870 -0.006 0.000 1.033 171 L CA -0.166 54.585 54.840 -0.148 0.000 0.848 171 L CB 0.771 42.490 42.059 -0.567 0.000 1.226 171 L HN 0.044 nan 8.230 nan 0.000 0.429 172 T N 0.162 114.800 114.554 0.139 0.000 2.598 172 T HA 0.317 4.667 4.350 -0.000 0.000 0.254 172 T C -0.491 174.345 174.700 0.227 0.000 0.889 172 T CA -0.845 61.383 62.100 0.213 0.000 1.091 172 T CB 1.387 70.407 68.868 0.254 0.000 1.437 172 T HN 0.238 nan 8.240 nan 0.000 0.542 173 K N 1.883 122.388 120.400 0.174 0.000 2.263 173 K HA 0.415 4.735 4.320 -0.000 0.000 0.272 173 K C 0.068 176.749 176.600 0.134 0.000 1.033 173 K CA -0.235 56.136 56.287 0.140 0.000 0.884 173 K CB 0.954 33.525 32.500 0.118 0.000 1.107 173 K HN 0.582 nan 8.250 nan 0.000 0.460 174 S N 2.943 118.714 115.700 0.118 0.000 2.558 174 S HA -0.023 4.447 4.470 -0.000 0.000 0.291 174 S C -0.020 174.621 174.600 0.070 0.000 1.306 174 S CA -0.139 58.113 58.200 0.086 0.000 1.056 174 S CB 0.173 63.410 63.200 0.062 0.000 0.836 174 S HN 0.650 nan 8.310 nan 0.000 0.504 175 T N 4.098 118.684 114.554 0.053 0.000 2.928 175 T HA 0.465 4.815 4.350 -0.000 0.000 0.284 175 T C -1.890 172.807 174.700 -0.005 0.000 1.008 175 T CA -1.596 60.517 62.100 0.021 0.000 1.057 175 T CB 0.916 69.798 68.868 0.023 0.000 1.018 175 T HN 0.385 nan 8.240 nan 0.000 0.493 176 P HA -0.033 nan 4.420 nan 0.000 0.211 176 P C 0.473 177.759 177.300 -0.024 0.000 1.179 176 P CA 1.112 64.191 63.100 -0.035 0.000 0.910 176 P CB 0.129 31.792 31.700 -0.061 0.000 0.785 177 E N -2.553 117.633 120.200 -0.024 0.000 2.396 177 E HA 0.519 4.869 4.350 -0.000 0.000 0.251 177 E C 0.697 177.309 176.600 0.020 0.000 0.949 177 E CA -0.582 55.817 56.400 -0.002 0.000 0.834 177 E CB 0.686 30.389 29.700 0.005 0.000 1.309 177 E HN 0.199 nan 8.360 nan 0.000 0.405 178 G N 0.405 109.219 108.800 0.023 0.000 2.650 178 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.264 178 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.264 178 G C 0.074 174.990 174.900 0.026 0.000 1.263 178 G CA 0.077 45.197 45.100 0.034 0.000 0.960 178 G HN 1.306 nan 8.290 nan 0.000 0.548 179 A N 1.191 124.039 122.820 0.047 0.000 2.444 179 A HA 0.597 4.917 4.320 -0.000 0.000 0.273 179 A C 0.911 178.504 177.584 0.015 0.000 1.136 179 A CA 0.906 52.970 52.037 0.044 0.000 0.799 179 A CB 0.071 19.125 19.000 0.089 0.000 1.081 179 A HN 0.917 nan 8.150 nan 0.000 0.509 180 R N 2.510 122.994 120.500 -0.027 0.000 2.401 180 R HA 0.189 4.529 4.340 -0.000 0.000 0.299 180 R C -0.949 175.278 176.300 -0.121 0.000 1.064 180 R CA -0.110 55.943 56.100 -0.079 0.000 1.000 180 R CB 0.282 30.514 30.300 -0.114 0.000 0.973 180 R HN 0.825 nan 8.270 nan 0.000 0.438 181 D N 3.399 123.736 120.400 -0.105 0.000 2.384 181 D HA 0.204 4.844 4.640 -0.000 0.000 0.250 181 D C -0.595 175.596 176.300 -0.181 0.000 1.029 181 D CA -0.594 53.351 54.000 -0.091 0.000 0.990 181 D CB 0.444 41.277 40.800 0.055 0.000 1.175 181 D HN 0.283 nan 8.370 nan 0.000 0.532 182 F N -0.383 119.623 119.950 0.093 0.000 2.412 182 F HA 0.311 4.838 4.527 -0.000 0.000 0.348 182 F C 0.343 176.156 175.800 0.022 0.000 1.102 182 F CA -0.523 57.517 58.000 0.067 0.000 1.196 182 F CB 0.623 39.700 39.000 0.128 0.000 1.144 182 F HN -0.076 nan 8.300 nan 0.000 0.541 183 L N 3.651 124.959 121.223 0.142 0.000 2.334 183 L HA 0.685 5.025 4.340 -0.000 0.000 0.272 183 L C -0.820 176.157 176.870 0.179 0.000 1.020 183 L CA -1.192 53.689 54.840 0.069 0.000 0.812 183 L CB 1.711 43.622 42.059 -0.248 0.000 1.264 183 L HN 0.209 nan 8.230 nan 0.000 0.439 184 V N 2.120 122.220 119.914 0.310 0.000 2.378 184 V HA 0.332 4.452 4.120 -0.000 0.000 0.288 184 V C -2.263 174.150 176.094 0.531 0.000 1.016 184 V CA -1.811 60.708 62.300 0.364 0.000 0.840 184 V CB 1.603 33.637 31.823 0.352 0.000 0.994 184 V HN 0.582 nan 8.190 nan 0.000 0.431 185 P HA 0.051 nan 4.420 nan 0.000 0.268 185 P C -1.155 176.234 177.300 0.148 0.000 1.205 185 P CA 0.028 63.327 63.100 0.332 0.000 0.771 185 P CB 0.234 32.084 31.700 0.249 0.000 0.858 186 Y N 3.277 123.427 120.300 -0.250 0.000 2.404 186 Y HA 0.272 4.822 4.550 -0.000 0.000 0.344 186 Y C 1.629 177.408 175.900 -0.201 0.000 0.970 186 Y CA -0.566 57.392 58.100 -0.237 0.000 1.180 186 Y CB 0.529 38.757 38.460 -0.388 0.000 1.138 186 Y HN 0.314 nan 8.280 nan 0.000 0.510 187 R N 2.664 122.912 120.500 -0.420 0.000 2.088 187 R HA -0.188 4.152 4.340 -0.000 0.000 0.232 187 R C 1.143 177.175 176.300 -0.446 0.000 1.136 187 R CA 2.169 58.016 56.100 -0.423 0.000 0.926 187 R CB -0.416 29.573 30.300 -0.519 0.000 0.837 187 R HN 0.965 nan 8.270 nan 0.000 0.429 188 H N -0.637 118.077 119.070 -0.594 0.000 2.562 188 H HA -0.042 4.514 4.556 -0.000 0.000 0.289 188 H C -0.226 174.971 175.328 -0.217 0.000 1.059 188 H CA 0.920 56.697 56.048 -0.452 0.000 1.203 188 H CB -0.029 29.385 29.762 -0.579 0.000 1.346 188 H HN 0.314 nan 8.280 nan 0.000 0.611 189 E N -0.368 119.805 120.200 -0.046 0.000 2.611 189 E HA 0.122 4.472 4.350 -0.000 0.000 0.385 189 E C -2.804 173.777 176.600 -0.031 0.000 1.045 189 E CA -1.538 54.896 56.400 0.056 0.000 0.712 189 E CB 0.599 30.427 29.700 0.212 0.000 1.519 189 E HN 0.017 nan 8.360 nan 0.000 0.389 190 P HA -0.081 nan 4.420 nan 0.000 0.265 190 P C 0.856 178.058 177.300 -0.164 0.000 1.167 190 P CA 2.223 65.246 63.100 -0.127 0.000 0.760 190 P CB 0.562 32.224 31.700 -0.063 0.000 0.783 191 G N 1.053 109.688 108.800 -0.274 0.000 2.284 191 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.247 191 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.247 191 G C -0.045 174.627 174.900 -0.381 0.000 1.012 191 G CA -0.178 44.799 45.100 -0.205 0.000 0.618 191 G HN 0.494 nan 8.290 nan 0.000 0.521 192 L N 0.339 121.266 121.223 -0.493 0.000 2.357 192 L HA 0.815 5.155 4.340 -0.000 0.000 0.273 192 L C -0.132 176.277 176.870 -0.768 0.000 1.080 192 L CA -0.644 53.941 54.840 -0.424 0.000 0.803 192 L CB 0.955 42.854 42.059 -0.266 0.000 1.174 192 L HN 0.099 nan 8.230 nan 0.000 0.443 193 F N 0.426 120.291 119.950 -0.142 0.000 2.631 193 F HA 0.449 4.976 4.527 -0.000 0.000 0.308 193 F C -0.643 175.058 175.800 -0.164 0.000 1.097 193 F CA -0.736 57.198 58.000 -0.109 0.000 0.952 193 F CB 1.303 40.302 39.000 -0.002 0.000 1.307 193 F HN 0.109 nan 8.300 nan 0.000 0.450 194 Y N 0.851 121.317 120.300 0.277 0.000 2.488 194 Y HA 0.760 5.310 4.550 -0.000 0.000 0.325 194 Y C 0.087 176.073 175.900 0.145 0.000 1.204 194 Y CA -1.295 56.895 58.100 0.150 0.000 1.229 194 Y CB 1.556 40.092 38.460 0.126 0.000 1.274 194 Y HN 0.635 nan 8.280 nan 0.000 0.493 195 A N 2.277 125.268 122.820 0.285 0.000 2.355 195 A HA 0.663 4.983 4.320 -0.000 0.000 0.317 195 A C -1.352 176.285 177.584 0.089 0.000 1.094 195 A CA -0.792 51.345 52.037 0.167 0.000 0.764 195 A CB 0.579 19.664 19.000 0.142 0.000 1.230 195 A HN 0.747 nan 8.150 nan 0.000 0.448 196 L N 3.595 124.836 121.223 0.030 0.000 2.360 196 L HA 0.289 4.629 4.340 -0.000 0.000 0.276 196 L C -1.918 174.931 176.870 -0.035 0.000 1.121 196 L CA -1.772 52.940 54.840 -0.214 0.000 0.845 196 L CB 0.881 42.644 42.059 -0.493 0.000 1.143 196 L HN 0.470 nan 8.230 nan 0.000 0.452 197 P HA -0.083 nan 4.420 nan 0.000 0.258 197 P C -0.049 177.361 177.300 0.184 0.000 1.172 197 P CA 0.166 63.314 63.100 0.081 0.000 0.762 197 P CB 0.721 32.412 31.700 -0.015 0.000 0.764 198 Q N 2.783 122.689 119.800 0.176 0.000 2.119 198 Q HA -0.039 4.301 4.340 -0.000 0.000 0.201 198 Q C 0.553 176.629 176.000 0.126 0.000 0.972 198 Q CA 1.381 57.297 55.803 0.188 0.000 0.847 198 Q CB 0.147 28.992 28.738 0.178 0.000 0.903 198 Q HN 0.695 nan 8.270 nan 0.000 0.433 199 S N -3.268 112.498 115.700 0.109 0.000 2.645 199 S HA 0.296 4.766 4.470 -0.000 0.000 0.268 199 S C -2.668 172.000 174.600 0.114 0.000 1.110 199 S CA -0.894 57.350 58.200 0.073 0.000 0.823 199 S CB 0.350 63.603 63.200 0.088 0.000 1.091 199 S HN -0.067 nan 8.310 nan 0.000 0.466 200 P HA 0.074 nan 4.420 nan 0.000 0.242 200 P C 1.536 178.920 177.300 0.140 0.000 1.197 200 P CA 0.313 63.533 63.100 0.201 0.000 0.765 200 P CB -0.004 31.821 31.700 0.208 0.000 0.936 201 Q N 0.258 120.096 119.800 0.062 0.000 2.028 201 Q HA -0.233 4.107 4.340 -0.000 0.000 0.215 201 Q C 1.950 177.867 176.000 -0.138 0.000 1.041 201 Q CA 1.882 57.657 55.803 -0.047 0.000 0.897 201 Q CB -1.054 27.613 28.738 -0.118 0.000 1.017 201 Q HN 0.317 nan 8.270 nan 0.000 0.418 202 L N -0.950 120.157 121.223 -0.193 0.000 2.027 202 L HA -0.172 4.168 4.340 -0.000 0.000 0.206 202 L C 2.469 179.162 176.870 -0.295 0.000 1.074 202 L CA 1.124 55.742 54.840 -0.369 0.000 0.745 202 L CB -0.592 41.273 42.059 -0.324 0.000 0.898 202 L HN 0.191 nan 8.230 nan 0.000 0.433 203 F N 0.875 120.793 119.950 -0.053 0.000 2.250 203 F HA -0.226 4.301 4.527 -0.000 0.000 0.301 203 F C 2.525 178.184 175.800 -0.236 0.000 1.077 203 F CA 1.254 59.193 58.000 -0.103 0.000 1.348 203 F CB -0.558 38.369 39.000 -0.122 0.000 1.040 203 F HN 0.166 nan 8.300 nan 0.000 0.509 204 K N 0.572 120.906 120.400 -0.110 0.000 2.155 204 K HA -0.146 4.174 4.320 -0.000 0.000 0.203 204 K C 1.600 178.125 176.600 -0.125 0.000 1.052 204 K CA 1.361 57.464 56.287 -0.307 0.000 0.948 204 K CB -0.536 31.943 32.500 -0.036 0.000 0.728 204 K HN 0.357 nan 8.250 nan 0.000 0.448 205 Q N 0.665 120.435 119.800 -0.049 0.000 2.096 205 Q HA 0.045 4.385 4.340 -0.000 0.000 0.197 205 Q C 2.318 178.318 176.000 0.001 0.000 0.964 205 Q CA 1.143 56.972 55.803 0.042 0.000 0.838 205 Q CB -0.209 28.600 28.738 0.119 0.000 0.906 205 Q HN 0.336 nan 8.270 nan 0.000 0.444 206 M N 0.535 120.183 119.600 0.079 0.000 2.082 206 M HA -0.197 4.283 4.480 -0.000 0.000 0.258 206 M C 1.868 178.151 176.300 -0.029 0.000 1.069 206 M CA 1.203 56.556 55.300 0.087 0.000 1.102 206 M CB -0.323 32.351 32.600 0.124 0.000 1.336 206 M HN 0.182 nan 8.290 nan 0.000 0.404 207 L N -0.207 120.968 121.223 -0.080 0.000 2.261 207 L HA -0.168 4.172 4.340 -0.000 0.000 0.216 207 L C 2.310 179.110 176.870 -0.118 0.000 1.114 207 L CA 1.579 56.348 54.840 -0.118 0.000 0.777 207 L CB -1.005 40.920 42.059 -0.225 0.000 0.910 207 L HN 0.412 nan 8.230 nan 0.000 0.440 208 M N -1.988 117.518 119.600 -0.156 0.000 2.248 208 M HA -0.018 4.462 4.480 -0.000 0.000 0.265 208 M C 2.331 178.482 176.300 -0.249 0.000 1.079 208 M CA 0.848 56.009 55.300 -0.232 0.000 1.150 208 M CB -0.876 31.501 32.600 -0.371 0.000 1.366 208 M HN -0.008 nan 8.290 nan 0.000 0.433 209 V N 0.993 120.771 119.914 -0.227 0.000 2.594 209 V HA -0.178 3.942 4.120 -0.000 0.000 0.253 209 V C 2.470 178.508 176.094 -0.094 0.000 1.069 209 V CA 1.654 63.860 62.300 -0.157 0.000 1.082 209 V CB -1.159 30.600 31.823 -0.107 0.000 0.680 209 V HN 0.480 nan 8.190 nan 0.000 0.469 210 A N -0.711 122.058 122.820 -0.085 0.000 2.239 210 A HA 0.322 4.642 4.320 -0.000 0.000 0.209 210 A C 2.080 179.637 177.584 -0.045 0.000 1.171 210 A CA 1.191 53.193 52.037 -0.058 0.000 0.768 210 A CB -0.584 18.384 19.000 -0.053 0.000 0.790 210 A HN 1.120 nan 8.150 nan 0.000 0.478 211 G N -1.607 107.162 108.800 -0.051 0.000 2.199 211 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.254 211 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.254 211 G C 0.231 175.118 174.900 -0.022 0.000 0.982 211 G CA 0.255 45.343 45.100 -0.020 0.000 0.632 211 G HN 0.426 nan 8.290 nan 0.000 0.529 212 L N 0.502 121.701 121.223 -0.041 0.000 2.452 212 L HA 0.340 4.680 4.340 -0.000 0.000 0.267 212 L C 1.634 178.470 176.870 -0.057 0.000 1.188 212 L CA 0.182 55.000 54.840 -0.037 0.000 0.821 212 L CB 0.734 42.774 42.059 -0.032 0.000 1.102 212 L HN 0.201 nan 8.230 nan 0.000 0.470 213 D N 0.860 121.219 120.400 -0.067 0.000 2.232 213 D HA -0.004 4.636 4.640 -0.000 0.000 0.220 213 D C 0.168 176.363 176.300 -0.175 0.000 0.982 213 D CA 0.966 54.904 54.000 -0.103 0.000 0.892 213 D CB 0.546 41.289 40.800 -0.095 0.000 1.040 213 D HN 0.378 nan 8.370 nan 0.000 0.463 214 R N 0.346 120.676 120.500 -0.282 0.000 2.451 214 R HA 0.321 4.661 4.340 -0.000 0.000 0.307 214 R C -1.166 175.038 176.300 -0.161 0.000 0.965 214 R CA -0.869 54.938 56.100 -0.488 0.000 0.865 214 R CB 0.732 30.130 30.300 -1.504 0.000 1.174 214 R HN 0.197 nan 8.270 nan 0.000 0.455 215 Y N 3.681 123.988 120.300 0.011 0.000 2.496 215 Y HA 0.748 5.298 4.550 -0.000 0.000 0.331 215 Y C -1.334 174.775 175.900 0.349 0.000 1.140 215 Y CA -1.387 56.786 58.100 0.121 0.000 1.166 215 Y CB 1.678 40.144 38.460 0.009 0.000 1.249 215 Y HN 0.622 nan 8.280 nan 0.000 0.479 216 F N 2.483 121.976 119.950 -0.761 0.000 2.641 216 F HA 0.585 5.112 4.527 -0.000 0.000 0.308 216 F C -1.966 173.260 175.800 -0.957 0.000 1.105 216 F CA -0.802 56.628 58.000 -0.949 0.000 0.964 216 F CB 1.620 40.270 39.000 -0.583 0.000 1.294 216 F HN 0.745 nan 8.300 nan 0.000 0.442 217 Q N 4.697 124.086 119.800 -0.685 0.000 2.313 217 Q HA 0.446 4.786 4.340 -0.000 0.000 0.260 217 Q C -2.092 173.836 176.000 -0.120 0.000 0.972 217 Q CA -0.878 54.666 55.803 -0.431 0.000 0.886 217 Q CB 2.022 30.651 28.738 -0.183 0.000 1.373 217 Q HN 0.791 nan 8.270 nan 0.000 0.416 218 I N 3.244 123.807 120.570 -0.010 0.000 2.293 218 I HA 0.337 4.507 4.170 -0.000 0.000 0.299 218 I C 0.634 176.788 176.117 0.062 0.000 1.153 218 I CA 0.244 61.578 61.300 0.056 0.000 1.302 218 I CB -0.662 37.424 38.000 0.143 0.000 1.460 218 I HN 0.763 nan 8.210 nan 0.000 0.552 219 A N 7.191 130.025 122.820 0.023 0.000 2.272 219 A HA 0.697 5.017 4.320 -0.000 0.000 0.275 219 A C 0.312 177.880 177.584 -0.027 0.000 1.096 219 A CA -0.451 51.585 52.037 -0.003 0.000 0.822 219 A CB 0.668 19.656 19.000 -0.020 0.000 1.088 219 A HN 0.618 nan 8.150 nan 0.000 0.495 220 R N -0.752 119.698 120.500 -0.085 0.000 2.513 220 R HA 0.574 4.914 4.340 -0.000 0.000 0.301 220 R C -1.714 174.457 176.300 -0.215 0.000 0.968 220 R CA -0.110 55.923 56.100 -0.112 0.000 0.872 220 R CB 0.772 31.171 30.300 0.164 0.000 1.177 220 R HN 0.777 nan 8.270 nan 0.000 0.444 221 C N 4.428 123.388 119.300 -0.568 0.000 2.529 221 C HA 0.728 5.188 4.460 -0.000 0.000 0.329 221 C C -0.931 173.712 174.990 -0.580 0.000 1.194 221 C CA -0.749 57.960 59.018 -0.515 0.000 1.779 221 C CB 0.746 27.946 27.740 -0.900 0.000 2.322 221 C HN 0.697 nan 8.230 nan 0.000 0.500 222 F N 0.783 120.712 119.950 -0.035 0.000 2.598 222 F HA 0.846 5.373 4.527 -0.000 0.000 0.327 222 F C 0.222 176.234 175.800 0.352 0.000 1.057 222 F CA -1.101 57.058 58.000 0.266 0.000 0.957 222 F CB 1.183 40.396 39.000 0.355 0.000 1.278 222 F HN 0.536 nan 8.300 nan 0.000 0.484 223 R N 1.133 122.010 120.500 0.628 0.000 3.321 223 R HA 0.122 4.462 4.340 -0.000 0.000 0.285 223 R C -2.046 174.275 176.300 0.036 0.000 1.149 223 R CA -0.382 55.881 56.100 0.273 0.000 1.191 223 R CB 0.651 31.138 30.300 0.312 0.000 1.276 223 R HN 0.636 nan 8.270 nan 0.000 0.429 224 D N 3.686 123.729 120.400 -0.594 0.000 2.801 224 D HA 0.139 4.779 4.640 -0.000 0.000 0.232 224 D C -0.855 175.294 176.300 -0.251 0.000 1.128 224 D CA 0.439 53.939 54.000 -0.832 0.000 1.003 224 D CB 0.332 40.356 40.800 -1.295 0.000 1.110 224 D HN 0.510 nan 8.370 nan 0.000 0.477 225 E N 0.601 120.765 120.200 -0.060 0.000 2.340 225 E HA 0.124 4.474 4.350 -0.000 0.000 0.273 225 E C -0.712 175.906 176.600 0.030 0.000 0.891 225 E CA -1.097 55.294 56.400 -0.015 0.000 0.757 225 E CB 1.358 31.054 29.700 -0.006 0.000 1.231 225 E HN 0.252 nan 8.360 nan 0.000 0.439 226 D N 2.595 123.008 120.400 0.021 0.000 3.683 226 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 226 D C 0.409 176.729 176.300 0.033 0.000 1.100 226 D CA 0.325 54.342 54.000 0.028 0.000 0.742 226 D CB 0.448 41.257 40.800 0.014 0.000 1.168 226 D HN 0.241 nan 8.370 nan 0.000 0.585 227 L N 1.970 123.222 121.223 0.048 0.000 2.873 227 L HA 0.057 4.397 4.340 -0.000 0.000 0.252 227 L C 2.048 178.930 176.870 0.020 0.000 1.266 227 L CA 0.065 54.930 54.840 0.042 0.000 1.111 227 L CB -1.342 40.754 42.059 0.061 0.000 1.440 227 L HN 0.313 nan 8.230 nan 0.000 0.427 228 R N 1.526 122.033 120.500 0.013 0.000 2.171 228 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 228 R C 1.450 177.749 176.300 -0.000 0.000 1.116 228 R CA 1.696 57.799 56.100 0.006 0.000 0.901 228 R CB -0.652 29.648 30.300 0.002 0.000 0.850 228 R HN 0.444 nan 8.270 nan 0.000 0.431 229 A N 0.922 123.736 122.820 -0.009 0.000 2.398 229 A HA -0.039 4.281 4.320 -0.000 0.000 0.264 229 A C 0.428 178.002 177.584 -0.016 0.000 1.564 229 A CA 0.202 52.231 52.037 -0.013 0.000 0.828 229 A CB -0.361 18.628 19.000 -0.020 0.000 1.444 229 A HN 0.313 nan 8.150 nan 0.000 0.565 230 D N 0.401 120.788 120.400 -0.022 0.000 2.982 230 D HA 0.079 4.719 4.640 -0.000 0.000 0.238 230 D C 0.032 176.315 176.300 -0.029 0.000 1.168 230 D CA -0.000 53.988 54.000 -0.019 0.000 0.947 230 D CB -0.561 40.227 40.800 -0.019 0.000 1.147 230 D HN 0.233 nan 8.370 nan 0.000 0.450 231 R N 0.788 121.271 120.500 -0.028 0.000 2.560 231 R HA 0.371 4.711 4.340 -0.000 0.000 0.270 231 R C 0.374 176.685 176.300 0.017 0.000 1.074 231 R CA -0.361 55.717 56.100 -0.037 0.000 1.140 231 R CB 0.605 30.886 30.300 -0.031 0.000 1.073 231 R HN 0.286 nan 8.270 nan 0.000 0.527 232 Q N 1.045 120.873 119.800 0.047 0.000 2.375 232 Q HA 0.286 4.626 4.340 -0.000 0.000 0.271 232 Q C -1.807 174.294 176.000 0.169 0.000 1.074 232 Q CA -1.976 53.885 55.803 0.097 0.000 0.808 232 Q CB 2.008 30.805 28.738 0.097 0.000 1.327 232 Q HN 0.178 nan 8.270 nan 0.000 0.441 233 P HA -0.213 nan 4.420 nan 0.000 0.218 233 P C -0.483 176.989 177.300 0.287 0.000 1.150 233 P CA 1.696 64.972 63.100 0.295 0.000 0.841 233 P CB 0.274 32.033 31.700 0.098 0.000 0.784 234 D N -2.298 118.146 120.400 0.074 0.000 2.970 234 D HA 0.389 5.029 4.640 -0.000 0.000 0.230 234 D C -0.517 175.769 176.300 -0.023 0.000 1.276 234 D CA -1.023 52.869 54.000 -0.180 0.000 0.910 234 D CB 0.740 40.996 40.800 -0.907 0.000 1.590 234 D HN -0.038 nan 8.370 nan 0.000 0.551 235 F N -0.198 119.642 119.950 -0.183 0.000 2.697 235 F HA 0.895 5.422 4.527 -0.000 0.000 0.386 235 F C -0.393 175.373 175.800 -0.058 0.000 1.154 235 F CA -1.148 56.804 58.000 -0.079 0.000 1.108 235 F CB 0.783 39.778 39.000 -0.009 0.000 1.429 235 F HN 0.219 nan 8.300 nan 0.000 0.509 236 T N 0.554 115.186 114.554 0.129 0.000 2.861 236 T HA 0.562 4.912 4.350 -0.000 0.000 0.287 236 T C -0.991 173.803 174.700 0.157 0.000 1.003 236 T CA -0.638 61.493 62.100 0.051 0.000 0.977 236 T CB 1.746 70.674 68.868 0.101 0.000 0.996 236 T HN 0.596 nan 8.240 nan 0.000 0.448 237 Q N 1.083 120.935 119.800 0.086 0.000 2.528 237 Q HA 0.685 5.025 4.340 -0.000 0.000 0.289 237 Q C -1.441 174.613 176.000 0.091 0.000 1.091 237 Q CA -1.164 54.733 55.803 0.158 0.000 0.797 237 Q CB 2.524 31.358 28.738 0.160 0.000 1.466 237 Q HN 0.454 nan 8.270 nan 0.000 0.436 238 L N 1.131 122.406 121.223 0.086 0.000 2.265 238 L HA 0.438 4.778 4.340 -0.000 0.000 0.289 238 L C -1.236 175.566 176.870 -0.112 0.000 1.033 238 L CA 0.161 54.935 54.840 -0.110 0.000 0.814 238 L CB 1.118 42.950 42.059 -0.379 0.000 1.203 238 L HN 0.527 nan 8.230 nan 0.000 0.423 239 D N 5.688 126.016 120.400 -0.121 0.000 2.391 239 D HA 0.383 5.023 4.640 -0.000 0.000 0.245 239 D C -1.636 174.538 176.300 -0.211 0.000 1.069 239 D CA -0.342 53.624 54.000 -0.058 0.000 0.831 239 D CB 1.850 42.690 40.800 0.067 0.000 1.204 239 D HN 0.696 nan 8.370 nan 0.000 0.503 240 L N 2.621 123.801 121.223 -0.072 0.000 2.470 240 L HA 0.545 4.885 4.340 -0.000 0.000 0.268 240 L C -1.628 175.369 176.870 0.211 0.000 0.964 240 L CA -0.571 54.254 54.840 -0.025 0.000 0.839 240 L CB 2.223 44.200 42.059 -0.137 0.000 1.276 240 L HN 0.174 nan 8.230 nan 0.000 0.403 241 E N 4.521 124.940 120.200 0.366 0.000 2.238 241 E HA 0.699 5.049 4.350 -0.000 0.000 0.267 241 E C -1.531 175.222 176.600 0.255 0.000 0.887 241 E CA -0.312 56.290 56.400 0.337 0.000 0.769 241 E CB 2.065 31.997 29.700 0.386 0.000 1.187 241 E HN 0.688 nan 8.360 nan 0.000 0.416 242 M N 1.395 121.091 119.600 0.160 0.000 2.518 242 M HA 0.485 4.965 4.480 -0.000 0.000 0.300 242 M C -0.855 175.440 176.300 -0.008 0.000 1.175 242 M CA -0.776 54.547 55.300 0.038 0.000 0.890 242 M CB 2.505 35.143 32.600 0.064 0.000 1.710 242 M HN 0.368 nan 8.290 nan 0.000 0.453 243 S N 0.804 116.427 115.700 -0.129 0.000 2.593 243 S HA 0.661 5.131 4.470 -0.000 0.000 0.297 243 S C -0.502 173.930 174.600 -0.280 0.000 1.112 243 S CA -0.566 57.427 58.200 -0.345 0.000 1.043 243 S CB 0.544 63.387 63.200 -0.596 0.000 1.054 243 S HN 0.716 nan 8.310 nan 0.000 0.516 244 F N 0.155 120.109 119.950 0.006 0.000 2.969 244 F HA -0.175 4.352 4.527 -0.000 0.000 0.273 244 F C 0.257 176.044 175.800 -0.021 0.000 0.986 244 F CA -0.188 57.804 58.000 -0.013 0.000 0.926 244 F CB -1.800 37.191 39.000 -0.015 0.000 0.887 244 F HN 0.330 nan 8.300 nan 0.000 0.816 245 V N -2.693 117.257 119.914 0.061 0.000 2.823 245 V HA 0.747 4.867 4.120 -0.000 0.000 0.312 245 V C -0.195 175.899 176.094 0.000 0.000 1.072 245 V CA -1.115 61.204 62.300 0.032 0.000 0.937 245 V CB 2.294 34.128 31.823 0.019 0.000 1.013 245 V HN 0.223 nan 8.190 nan 0.000 0.430 246 E N 1.420 121.614 120.200 -0.011 0.000 2.221 246 E HA 0.529 4.879 4.350 -0.000 0.000 0.268 246 E C 0.641 177.210 176.600 -0.052 0.000 0.933 246 E CA -0.799 55.581 56.400 -0.033 0.000 0.809 246 E CB 2.432 32.112 29.700 -0.033 0.000 1.190 246 E HN 0.587 nan 8.360 nan 0.000 0.406 247 V N 2.456 122.344 119.914 -0.043 0.000 2.257 247 V HA -0.369 3.751 4.120 -0.000 0.000 0.257 247 V C 2.140 178.086 176.094 -0.247 0.000 1.077 247 V CA 2.527 64.770 62.300 -0.094 0.000 1.063 247 V CB -0.626 31.186 31.823 -0.018 0.000 0.664 247 V HN 0.774 nan 8.190 nan 0.000 0.450 248 E N 0.244 120.337 120.200 -0.177 0.000 2.086 248 E HA -0.268 4.082 4.350 -0.000 0.000 0.200 248 E C 1.912 178.402 176.600 -0.183 0.000 1.012 248 E CA 1.996 58.281 56.400 -0.192 0.000 0.812 248 E CB -0.475 29.161 29.700 -0.107 0.000 0.743 248 E HN 0.654 nan 8.360 nan 0.000 0.453 249 D N -0.775 119.556 120.400 -0.115 0.000 2.123 249 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 249 D C 1.972 178.225 176.300 -0.077 0.000 0.992 249 D CA 1.724 55.684 54.000 -0.067 0.000 0.833 249 D CB -0.000 40.787 40.800 -0.022 0.000 0.954 249 D HN 0.183 nan 8.370 nan 0.000 0.455 250 V N 1.266 121.097 119.914 -0.138 0.000 2.323 250 V HA -0.195 3.925 4.120 -0.000 0.000 0.244 250 V C 2.744 178.679 176.094 -0.265 0.000 1.041 250 V CA 1.000 63.214 62.300 -0.144 0.000 1.025 250 V CB -0.640 31.075 31.823 -0.180 0.000 0.656 250 V HN 0.154 nan 8.190 nan 0.000 0.451 251 L N 0.031 120.914 121.223 -0.568 0.000 1.970 251 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 251 L C 2.815 179.542 176.870 -0.238 0.000 1.071 251 L CA 2.144 56.512 54.840 -0.787 0.000 0.751 251 L CB -0.929 40.391 42.059 -1.231 0.000 0.889 251 L HN 0.367 nan 8.230 nan 0.000 0.432 252 E N 0.845 120.931 120.200 -0.191 0.000 2.187 252 E HA -0.284 4.066 4.350 -0.000 0.000 0.199 252 E C 2.181 178.790 176.600 0.015 0.000 1.004 252 E CA 1.667 58.025 56.400 -0.070 0.000 0.813 252 E CB -0.131 29.533 29.700 -0.060 0.000 0.736 252 E HN 0.457 nan 8.360 nan 0.000 0.468 253 L N 0.804 122.059 121.223 0.053 0.000 2.068 253 L HA -0.100 4.240 4.340 -0.000 0.000 0.204 253 L C 2.158 179.145 176.870 0.194 0.000 1.076 253 L CA 1.292 56.223 54.840 0.152 0.000 0.753 253 L CB -0.369 41.788 42.059 0.165 0.000 0.910 253 L HN 0.008 nan 8.230 nan 0.000 0.439 254 N N -0.064 118.769 118.700 0.222 0.000 2.120 254 N HA -0.230 4.510 4.740 -0.000 0.000 0.188 254 N C 1.659 177.309 175.510 0.234 0.000 1.024 254 N CA 1.628 54.911 53.050 0.389 0.000 0.852 254 N CB -0.086 38.798 38.487 0.662 0.000 1.003 254 N HN 0.474 nan 8.380 nan 0.000 0.424 255 E N 0.963 121.231 120.200 0.113 0.000 2.007 255 E HA -0.161 4.189 4.350 -0.000 0.000 0.203 255 E C 2.094 178.487 176.600 -0.344 0.000 1.020 255 E CA 1.333 57.492 56.400 -0.403 0.000 0.845 255 E CB -0.020 29.435 29.700 -0.407 0.000 0.779 255 E HN 0.218 nan 8.360 nan 0.000 0.466 256 R N 0.354 120.746 120.500 -0.180 0.000 2.153 256 R HA -0.210 4.130 4.340 -0.000 0.000 0.252 256 R C 2.521 178.586 176.300 -0.393 0.000 1.158 256 R CA 1.357 57.373 56.100 -0.140 0.000 0.975 256 R CB -0.493 29.866 30.300 0.099 0.000 0.871 256 R HN 0.309 nan 8.270 nan 0.000 0.450 257 L N -0.042 120.946 121.223 -0.391 0.000 1.976 257 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 257 L C 2.379 179.097 176.870 -0.253 0.000 1.071 257 L CA 1.509 55.896 54.840 -0.754 0.000 0.746 257 L CB -0.225 41.771 42.059 -0.106 0.000 0.890 257 L HN 0.254 nan 8.230 nan 0.000 0.432 258 M N 0.212 119.844 119.600 0.054 0.000 2.110 258 M HA -0.254 4.226 4.480 -0.000 0.000 0.257 258 M C 2.287 178.629 176.300 0.070 0.000 1.071 258 M CA 2.333 57.685 55.300 0.088 0.000 1.096 258 M CB -0.915 31.548 32.600 -0.229 0.000 1.300 258 M HN 0.360 nan 8.290 nan 0.000 0.411 259 A N -1.175 121.589 122.820 -0.094 0.000 1.881 259 A HA -0.338 3.982 4.320 -0.000 0.000 0.219 259 A C 2.100 179.691 177.584 0.011 0.000 1.215 259 A CA 2.698 54.706 52.037 -0.048 0.000 0.648 259 A CB -1.586 17.341 19.000 -0.121 0.000 0.832 259 A HN 0.798 nan 8.150 nan 0.000 0.455 260 H N -0.426 118.517 119.070 -0.211 0.000 2.257 260 H HA -0.159 4.397 4.556 -0.000 0.000 0.292 260 H C 1.930 177.225 175.328 -0.054 0.000 1.075 260 H CA 2.751 58.684 56.048 -0.192 0.000 1.212 260 H CB -0.606 28.865 29.762 -0.484 0.000 1.354 260 H HN 0.104 nan 8.280 nan 0.000 0.497 261 V N 0.101 120.025 119.914 0.017 0.000 2.311 261 V HA -0.360 3.760 4.120 -0.000 0.000 0.256 261 V C 2.428 178.471 176.094 -0.086 0.000 1.077 261 V CA 2.253 64.557 62.300 0.007 0.000 1.067 261 V CB -0.935 30.966 31.823 0.131 0.000 0.659 261 V HN 0.332 nan 8.190 nan 0.000 0.451 262 F N -0.084 119.814 119.950 -0.086 0.000 2.084 262 F HA -0.080 4.447 4.527 -0.000 0.000 0.296 262 F C 2.656 178.406 175.800 -0.083 0.000 1.111 262 F CA 2.076 60.026 58.000 -0.084 0.000 1.224 262 F CB -0.543 38.424 39.000 -0.054 0.000 0.991 262 F HN -0.071 nan 8.300 nan 0.000 0.471 263 R N 0.322 120.872 120.500 0.083 0.000 2.152 263 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 263 R C 1.837 178.090 176.300 -0.078 0.000 1.117 263 R CA 1.395 57.499 56.100 0.007 0.000 0.981 263 R CB -0.078 30.214 30.300 -0.014 0.000 0.870 263 R HN 0.195 nan 8.270 nan 0.000 0.451 264 E N -0.643 119.450 120.200 -0.179 0.000 2.190 264 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 264 E C 1.442 177.980 176.600 -0.104 0.000 0.978 264 E CA 1.074 57.359 56.400 -0.191 0.000 0.839 264 E CB 0.359 29.837 29.700 -0.371 0.000 0.787 264 E HN 0.446 nan 8.360 nan 0.000 0.473 265 A N 0.158 122.907 122.820 -0.118 0.000 1.993 265 A HA 0.193 4.513 4.320 -0.000 0.000 0.207 265 A C 1.964 179.490 177.584 -0.096 0.000 1.224 265 A CA 0.099 52.075 52.037 -0.101 0.000 0.749 265 A CB 0.027 18.946 19.000 -0.134 0.000 0.884 265 A HN 0.108 nan 8.150 nan 0.000 0.467 266 L N -1.012 120.141 121.223 -0.115 0.000 2.616 266 L HA 0.252 4.592 4.340 -0.000 0.000 0.229 266 L C 1.505 178.391 176.870 0.026 0.000 1.110 266 L CA 0.520 55.332 54.840 -0.047 0.000 0.884 266 L CB 0.114 42.137 42.059 -0.061 0.000 1.115 266 L HN 0.533 nan 8.230 nan 0.000 0.481 267 G N 1.424 110.235 108.800 0.018 0.000 2.225 267 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.267 267 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.267 267 G C 0.136 175.089 174.900 0.087 0.000 1.024 267 G CA 0.371 45.495 45.100 0.040 0.000 0.784 267 G HN 0.155 nan 8.290 nan 0.000 0.507 268 V N -0.333 119.668 119.914 0.145 0.000 2.973 268 V HA 0.628 4.748 4.120 -0.000 0.000 0.314 268 V C 0.328 176.527 176.094 0.174 0.000 1.066 268 V CA -0.664 61.763 62.300 0.211 0.000 1.021 268 V CB 1.903 33.958 31.823 0.387 0.000 1.076 268 V HN 0.289 nan 8.190 nan 0.000 0.462 269 E N 2.796 123.081 120.200 0.142 0.000 2.518 269 E HA 0.329 4.679 4.350 -0.000 0.000 0.240 269 E C -1.268 175.384 176.600 0.087 0.000 0.996 269 E CA -0.359 56.101 56.400 0.099 0.000 0.768 269 E CB 1.548 31.291 29.700 0.072 0.000 1.329 269 E HN 0.487 nan 8.360 nan 0.000 0.408 270 L N 4.538 125.804 121.223 0.072 0.000 2.513 270 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 270 L C -1.603 175.325 176.870 0.096 0.000 1.187 270 L CA -1.197 53.691 54.840 0.081 0.000 0.895 270 L CB -0.499 41.616 42.059 0.093 0.000 1.147 270 L HN 0.135 nan 8.230 nan 0.000 0.483 271 P HA 0.247 nan 4.420 nan 0.000 0.274 271 P C -0.918 176.440 177.300 0.097 0.000 1.231 271 P CA -0.471 62.676 63.100 0.079 0.000 0.790 271 P CB 1.536 33.277 31.700 0.069 0.000 0.951 272 L N 3.273 124.520 121.223 0.039 0.000 2.323 272 L HA 0.608 4.948 4.340 -0.000 0.000 0.265 272 L C -1.904 174.978 176.870 0.020 0.000 1.012 272 L CA -2.074 52.763 54.840 -0.005 0.000 0.820 272 L CB 0.145 42.149 42.059 -0.092 0.000 1.334 272 L HN 0.381 nan 8.230 nan 0.000 0.427 273 P HA 0.444 nan 4.420 nan 0.000 0.278 273 P C -0.831 176.556 177.300 0.145 0.000 1.266 273 P CA -0.551 62.548 63.100 -0.002 0.000 0.807 273 P CB 0.366 32.083 31.700 0.028 0.000 1.094 274 F N -0.059 119.938 119.950 0.079 0.000 2.490 274 F HA 0.268 4.795 4.527 -0.000 0.000 0.336 274 F C -1.718 174.149 175.800 0.112 0.000 1.178 274 F CA -2.028 55.990 58.000 0.031 0.000 1.301 274 F CB -1.249 37.664 39.000 -0.145 0.000 1.175 274 F HN 0.156 nan 8.300 nan 0.000 0.593 275 P HA 0.435 nan 4.420 nan 0.000 0.278 275 P C -1.105 176.335 177.300 0.232 0.000 1.258 275 P CA -0.499 62.711 63.100 0.183 0.000 0.811 275 P CB 0.937 32.688 31.700 0.086 0.000 1.063 276 R N 0.598 121.216 120.500 0.196 0.000 2.854 276 R HA 0.842 5.182 4.340 -0.000 0.000 0.271 276 R C -1.023 175.346 176.300 0.115 0.000 0.994 276 R CA -0.716 55.514 56.100 0.216 0.000 0.945 276 R CB 1.386 31.812 30.300 0.210 0.000 1.194 276 R HN 0.335 nan 8.270 nan 0.000 0.476 277 L N 0.641 121.922 121.223 0.096 0.000 2.565 277 L HA 0.337 4.677 4.340 -0.000 0.000 0.261 277 L C -0.495 176.384 176.870 0.016 0.000 0.932 277 L CA -0.796 54.067 54.840 0.038 0.000 0.878 277 L CB 2.532 44.587 42.059 -0.007 0.000 1.333 277 L HN 0.851 nan 8.230 nan 0.000 0.409 278 S N 0.708 116.417 115.700 0.014 0.000 2.584 278 S HA 0.033 4.503 4.470 -0.000 0.000 0.270 278 S C 0.913 175.481 174.600 -0.053 0.000 1.346 278 S CA -0.118 58.084 58.200 0.003 0.000 1.018 278 S CB 0.601 63.820 63.200 0.032 0.000 0.899 278 S HN 0.637 nan 8.310 nan 0.000 0.542 279 Y N 1.209 121.348 120.300 -0.267 0.000 2.207 279 Y HA -0.174 4.376 4.550 -0.000 0.000 0.287 279 Y C 2.375 178.204 175.900 -0.117 0.000 1.156 279 Y CA 2.237 60.136 58.100 -0.334 0.000 1.182 279 Y CB -0.411 37.793 38.460 -0.426 0.000 0.979 279 Y HN 0.961 nan 8.280 nan 0.000 0.521 280 E N -0.038 120.160 120.200 -0.002 0.000 2.085 280 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 280 E C 2.084 178.627 176.600 -0.095 0.000 0.994 280 E CA 1.697 58.068 56.400 -0.048 0.000 0.801 280 E CB -0.140 29.583 29.700 0.039 0.000 0.743 280 E HN 0.693 nan 8.360 nan 0.000 0.453 281 E N -0.483 119.681 120.200 -0.059 0.000 2.051 281 E HA -0.108 4.242 4.350 -0.000 0.000 0.189 281 E C 2.022 178.613 176.600 -0.016 0.000 0.979 281 E CA 0.603 56.988 56.400 -0.026 0.000 0.803 281 E CB -0.078 29.628 29.700 0.009 0.000 0.761 281 E HN 0.332 nan 8.360 nan 0.000 0.451 282 A N 1.441 124.220 122.820 -0.069 0.000 1.873 282 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 282 A C 2.136 179.680 177.584 -0.066 0.000 1.193 282 A CA 1.695 53.693 52.037 -0.064 0.000 0.629 282 A CB -0.485 18.418 19.000 -0.161 0.000 0.826 282 A HN 0.176 nan 8.150 nan 0.000 0.447 283 M N -0.551 118.887 119.600 -0.269 0.000 2.082 283 M HA -0.141 4.339 4.480 -0.000 0.000 0.258 283 M C 2.043 178.269 176.300 -0.123 0.000 1.069 283 M CA 1.525 56.660 55.300 -0.275 0.000 1.102 283 M CB -1.531 30.765 32.600 -0.507 0.000 1.336 283 M HN 0.418 nan 8.290 nan 0.000 0.404 284 E N 0.138 120.278 120.200 -0.101 0.000 1.998 284 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 284 E C 2.102 178.656 176.600 -0.077 0.000 1.003 284 E CA 1.219 57.576 56.400 -0.071 0.000 0.829 284 E CB -0.467 29.198 29.700 -0.057 0.000 0.777 284 E HN 0.475 nan 8.360 nan 0.000 0.460 285 R N -0.662 119.800 120.500 -0.063 0.000 2.170 285 R HA -0.172 4.168 4.340 -0.000 0.000 0.242 285 R C 1.347 177.334 176.300 -0.521 0.000 1.145 285 R CA 1.464 57.417 56.100 -0.245 0.000 0.984 285 R CB -0.116 30.094 30.300 -0.150 0.000 0.869 285 R HN 0.306 nan 8.270 nan 0.000 0.455 286 Y N -2.581 117.648 120.300 -0.119 0.000 2.590 286 Y HA 0.296 4.846 4.550 -0.000 0.000 0.263 286 Y C 1.131 176.966 175.900 -0.108 0.000 1.069 286 Y CA -0.047 57.980 58.100 -0.122 0.000 1.242 286 Y CB 0.808 39.184 38.460 -0.140 0.000 1.357 286 Y HN 0.090 nan 8.280 nan 0.000 0.556 287 G N 1.582 110.398 108.800 0.027 0.000 2.273 287 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.280 287 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.280 287 G C -0.000 174.893 174.900 -0.012 0.000 1.047 287 G CA 0.818 45.904 45.100 -0.023 0.000 0.869 287 G HN 0.627 nan 8.290 nan 0.000 0.502 288 S N -1.187 114.504 115.700 -0.016 0.000 2.580 288 S HA 0.486 4.956 4.470 -0.000 0.000 0.281 288 S C -0.036 174.549 174.600 -0.025 0.000 1.129 288 S CA 0.472 58.673 58.200 0.001 0.000 0.862 288 S CB 1.038 64.248 63.200 0.017 0.000 1.090 288 S HN 0.720 nan 8.310 nan 0.000 0.451 289 D N 1.875 122.312 120.400 0.062 0.000 2.342 289 D HA 0.175 4.815 4.640 -0.000 0.000 0.221 289 D C 0.288 176.648 176.300 0.101 0.000 1.101 289 D CA -0.147 53.919 54.000 0.110 0.000 0.837 289 D CB -0.201 40.847 40.800 0.413 0.000 0.938 289 D HN 0.631 nan 8.370 nan 0.000 0.508 290 K N -0.227 120.188 120.400 0.025 0.000 3.253 290 K HA 0.362 4.682 4.320 -0.000 0.000 0.174 290 K C -2.908 173.625 176.600 -0.112 0.000 1.071 290 K CA -1.730 54.548 56.287 -0.015 0.000 0.836 290 K CB 0.886 33.399 32.500 0.023 0.000 0.922 290 K HN -0.143 nan 8.250 nan 0.000 0.565 291 P HA -0.161 nan 4.420 nan 0.000 0.264 291 P C -0.601 176.501 177.300 -0.329 0.000 1.173 291 P CA 0.395 63.242 63.100 -0.422 0.000 0.761 291 P CB 0.410 31.612 31.700 -0.830 0.000 0.794 292 D N 3.438 123.675 120.400 -0.272 0.000 2.499 292 D HA 0.093 4.733 4.640 -0.000 0.000 0.225 292 D C 0.659 176.786 176.300 -0.288 0.000 1.124 292 D CA -0.146 53.747 54.000 -0.178 0.000 0.938 292 D CB -0.008 40.795 40.800 0.006 0.000 1.014 292 D HN 0.278 nan 8.370 nan 0.000 0.517 293 L N 2.774 123.821 121.223 -0.293 0.000 2.693 293 L HA 0.097 4.437 4.340 -0.000 0.000 0.242 293 L C 1.744 178.518 176.870 -0.161 0.000 1.157 293 L CA 0.096 54.781 54.840 -0.259 0.000 0.929 293 L CB -0.146 41.772 42.059 -0.235 0.000 1.103 293 L HN 0.022 nan 8.230 nan 0.000 0.430 294 R N 0.620 121.072 120.500 -0.080 0.000 2.316 294 R HA 0.044 4.384 4.340 -0.000 0.000 0.202 294 R C -0.297 176.114 176.300 0.186 0.000 1.029 294 R CA 0.571 56.701 56.100 0.051 0.000 1.018 294 R CB 0.041 30.408 30.300 0.112 0.000 0.888 294 R HN 0.359 nan 8.270 nan 0.000 0.471 295 F N -4.933 115.009 119.950 -0.014 0.000 2.725 295 F HA 0.532 5.059 4.527 -0.000 0.000 0.309 295 F C -0.702 175.119 175.800 0.034 0.000 1.132 295 F CA -1.637 56.361 58.000 -0.004 0.000 0.957 295 F CB 0.745 39.733 39.000 -0.020 0.000 1.286 295 F HN -0.214 nan 8.300 nan 0.000 0.440 296 G N 2.633 111.422 108.800 -0.018 0.000 2.788 296 G HA2 0.582 4.542 3.960 -0.000 0.000 0.327 296 G HA3 0.582 4.542 3.960 -0.000 0.000 0.327 296 G C -1.508 173.373 174.900 -0.032 0.000 1.249 296 G CA -0.627 44.392 45.100 -0.135 0.000 1.063 296 G HN 0.723 nan 8.290 nan 0.000 0.497 297 L N 2.923 124.115 121.223 -0.051 0.000 2.506 297 L HA 0.319 4.659 4.340 -0.000 0.000 0.247 297 L C 0.238 177.020 176.870 -0.147 0.000 1.141 297 L CA -0.436 54.417 54.840 0.021 0.000 0.973 297 L CB 0.847 43.027 42.059 0.203 0.000 1.319 297 L HN 0.481 nan 8.230 nan 0.000 0.455 298 E N 1.895 121.944 120.200 -0.253 0.000 2.373 298 E HA 0.353 4.703 4.350 -0.000 0.000 0.263 298 E C -0.286 176.164 176.600 -0.250 0.000 1.073 298 E CA -0.452 55.710 56.400 -0.396 0.000 0.894 298 E CB 1.507 30.936 29.700 -0.452 0.000 1.008 298 E HN 0.379 nan 8.360 nan 0.000 0.420 299 L N 1.849 122.916 121.223 -0.260 0.000 2.475 299 L HA 0.365 4.705 4.340 -0.000 0.000 0.253 299 L C 0.311 177.103 176.870 -0.131 0.000 1.198 299 L CA -0.352 54.392 54.840 -0.159 0.000 0.814 299 L CB 0.134 42.113 42.059 -0.133 0.000 1.134 299 L HN 0.339 nan 8.230 nan 0.000 0.478 300 K N 0.839 121.190 120.400 -0.082 0.000 2.542 300 K HA 0.349 4.669 4.320 -0.000 0.000 0.259 300 K C -1.196 175.392 176.600 -0.021 0.000 0.932 300 K CA -0.821 55.435 56.287 -0.051 0.000 0.820 300 K CB 2.469 34.949 32.500 -0.032 0.000 1.345 300 K HN 0.392 nan 8.250 nan 0.000 0.432 301 E N 0.802 120.992 120.200 -0.017 0.000 2.313 301 E HA 0.347 4.697 4.350 -0.000 0.000 0.272 301 E C 0.119 176.734 176.600 0.025 0.000 1.038 301 E CA -0.316 56.082 56.400 -0.003 0.000 0.863 301 E CB 0.952 30.644 29.700 -0.012 0.000 1.060 301 E HN 0.364 nan 8.360 nan 0.000 0.402 302 V N 1.108 121.056 119.914 0.057 0.000 3.509 302 V HA 0.337 4.457 4.120 -0.000 0.000 0.286 302 V C 1.454 177.637 176.094 0.148 0.000 1.618 302 V CA 0.143 62.503 62.300 0.100 0.000 1.088 302 V CB 0.049 32.011 31.823 0.231 0.000 0.909 302 V HN 0.643 nan 8.190 nan 0.000 0.429 303 G N 2.924 111.779 108.800 0.091 0.000 2.624 303 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.221 303 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.221 303 G C 0.270 175.243 174.900 0.123 0.000 1.169 303 G CA 2.086 47.242 45.100 0.092 0.000 0.771 303 G HN 0.598 nan 8.290 nan 0.000 0.598 304 P HA -0.049 nan 4.420 nan 0.000 0.218 304 P C 2.032 179.303 177.300 -0.049 0.000 1.149 304 P CA 0.788 63.893 63.100 0.008 0.000 0.817 304 P CB -0.237 31.456 31.700 -0.010 0.000 0.785 305 L N -2.108 119.024 121.223 -0.152 0.000 2.349 305 L HA -0.085 4.255 4.340 -0.000 0.000 0.220 305 L C 1.516 178.031 176.870 -0.591 0.000 1.130 305 L CA 1.214 55.809 54.840 -0.410 0.000 0.791 305 L CB -0.843 40.839 42.059 -0.628 0.000 0.918 305 L HN -0.095 nan 8.230 nan 0.000 0.444 306 F N -1.043 118.929 119.950 0.036 0.000 2.668 306 F HA 0.180 4.707 4.527 -0.000 0.000 0.301 306 F C 2.055 177.874 175.800 0.031 0.000 1.106 306 F CA -0.382 57.656 58.000 0.063 0.000 1.289 306 F CB -0.090 38.985 39.000 0.124 0.000 1.006 306 F HN -0.033 nan 8.300 nan 0.000 0.535 307 R N 0.818 121.381 120.500 0.104 0.000 2.280 307 R HA -0.026 4.314 4.340 -0.000 0.000 0.207 307 R C 0.782 177.117 176.300 0.057 0.000 1.043 307 R CA 1.281 57.424 56.100 0.071 0.000 1.006 307 R CB -0.174 30.146 30.300 0.035 0.000 0.885 307 R HN 0.369 nan 8.270 nan 0.000 0.467 308 Q N 0.668 120.503 119.800 0.059 0.000 2.319 308 Q HA 0.108 4.448 4.340 -0.000 0.000 0.209 308 Q C 0.322 176.371 176.000 0.082 0.000 0.884 308 Q CA -0.009 55.825 55.803 0.051 0.000 0.938 308 Q CB 0.900 29.656 28.738 0.031 0.000 1.098 308 Q HN 0.191 nan 8.270 nan 0.000 0.517 309 S N -0.436 115.345 115.700 0.134 0.000 2.579 309 S HA 0.221 4.691 4.470 -0.000 0.000 0.275 309 S C 1.114 175.792 174.600 0.130 0.000 1.345 309 S CA 0.151 58.465 58.200 0.189 0.000 1.031 309 S CB 1.204 64.620 63.200 0.360 0.000 0.892 309 S HN 0.345 nan 8.310 nan 0.000 0.529 310 G N 2.536 111.426 108.800 0.150 0.000 2.939 310 G HA2 0.097 4.057 3.960 -0.000 0.000 0.210 310 G HA3 0.097 4.057 3.960 -0.000 0.000 0.210 310 G C 0.114 175.039 174.900 0.041 0.000 1.160 310 G CA -0.327 44.834 45.100 0.103 0.000 0.770 310 G HN 0.676 nan 8.290 nan 0.000 0.543 311 F N 3.553 123.339 119.950 -0.274 0.000 2.541 311 F HA 0.341 4.868 4.527 -0.000 0.000 0.347 311 F C 1.649 177.170 175.800 -0.466 0.000 1.242 311 F CA -1.882 55.647 58.000 -0.785 0.000 1.123 311 F CB 0.186 38.355 39.000 -1.385 0.000 1.354 311 F HN -0.082 nan 8.300 nan 0.000 0.621 312 R N 2.590 122.821 120.500 -0.448 0.000 2.190 312 R HA -0.232 4.108 4.340 -0.000 0.000 0.255 312 R C 1.993 177.951 176.300 -0.570 0.000 1.143 312 R CA 1.957 57.815 56.100 -0.403 0.000 0.965 312 R CB -1.231 28.902 30.300 -0.278 0.000 0.889 312 R HN 0.508 nan 8.270 nan 0.000 0.448 313 V N 0.883 120.183 119.914 -1.024 0.000 2.214 313 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 313 V C 2.320 178.102 176.094 -0.520 0.000 1.047 313 V CA 2.054 63.858 62.300 -0.826 0.000 0.998 313 V CB -0.664 30.536 31.823 -1.038 0.000 0.633 313 V HN 0.088 nan 8.190 nan 0.000 0.446 314 F N 0.047 119.360 119.950 -1.062 0.000 2.202 314 F HA -0.180 4.347 4.527 -0.000 0.000 0.301 314 F C 2.549 178.143 175.800 -0.344 0.000 1.082 314 F CA 1.570 59.155 58.000 -0.693 0.000 1.313 314 F CB -0.904 37.456 39.000 -1.067 0.000 1.024 314 F HN 0.254 nan 8.300 nan 0.000 0.495 315 Q N 0.515 120.257 119.800 -0.097 0.000 2.163 315 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 315 Q C 1.018 176.988 176.000 -0.051 0.000 0.954 315 Q CA 0.931 56.730 55.803 -0.005 0.000 0.851 315 Q CB 0.007 28.750 28.738 0.008 0.000 0.928 315 Q HN 0.444 nan 8.270 nan 0.000 0.459 316 E N 0.269 120.401 120.200 -0.113 0.000 2.368 316 E HA 0.220 4.570 4.350 -0.000 0.000 0.188 316 E C -0.605 175.937 176.600 -0.096 0.000 1.061 316 E CA -0.313 56.029 56.400 -0.097 0.000 0.933 316 E CB 0.592 30.223 29.700 -0.114 0.000 1.091 316 E HN 0.175 nan 8.360 nan 0.000 0.458 317 A N 1.162 123.925 122.820 -0.096 0.000 2.304 317 A HA 0.153 4.473 4.320 -0.000 0.000 0.323 317 A C 0.936 178.480 177.584 -0.067 0.000 1.195 317 A CA -0.551 51.430 52.037 -0.093 0.000 0.826 317 A CB 1.032 19.955 19.000 -0.127 0.000 1.184 317 A HN 0.221 nan 8.150 nan 0.000 0.496 318 E N 1.883 122.048 120.200 -0.058 0.000 2.097 318 E HA -0.120 4.230 4.350 -0.000 0.000 0.196 318 E C 0.634 177.209 176.600 -0.042 0.000 1.000 318 E CA 1.566 57.940 56.400 -0.043 0.000 0.804 318 E CB 0.093 29.769 29.700 -0.039 0.000 0.740 318 E HN 0.593 nan 8.360 nan 0.000 0.454 319 S N -1.288 114.378 115.700 -0.057 0.000 2.564 319 S HA 0.508 4.978 4.470 -0.000 0.000 0.274 319 S C -1.535 172.999 174.600 -0.109 0.000 1.124 319 S CA -0.857 57.306 58.200 -0.061 0.000 0.869 319 S CB 2.187 65.360 63.200 -0.044 0.000 1.105 319 S HN -0.007 nan 8.310 nan 0.000 0.472 320 V N 4.521 124.360 119.914 -0.126 0.000 2.445 320 V HA 0.473 4.593 4.120 -0.000 0.000 0.283 320 V C -0.721 175.308 176.094 -0.109 0.000 1.014 320 V CA -0.886 61.272 62.300 -0.237 0.000 0.852 320 V CB 1.505 33.041 31.823 -0.478 0.000 1.021 320 V HN 0.745 nan 8.190 nan 0.000 0.435 321 K N 3.246 123.605 120.400 -0.069 0.000 2.201 321 K HA 0.804 5.124 4.320 -0.000 0.000 0.278 321 K C -0.074 176.532 176.600 0.009 0.000 1.027 321 K CA -0.189 56.082 56.287 -0.028 0.000 0.909 321 K CB 2.512 34.989 32.500 -0.038 0.000 1.062 321 K HN 0.761 nan 8.250 nan 0.000 0.465 322 A N 3.603 126.424 122.820 0.001 0.000 2.318 322 A HA 0.554 4.874 4.320 -0.000 0.000 0.317 322 A C -1.228 176.266 177.584 -0.150 0.000 1.159 322 A CA -0.735 51.257 52.037 -0.076 0.000 0.799 322 A CB 0.642 19.676 19.000 0.056 0.000 1.194 322 A HN 0.553 nan 8.150 nan 0.000 0.479 323 L N 2.663 123.746 121.223 -0.234 0.000 2.406 323 L HA 0.813 5.153 4.340 -0.000 0.000 0.272 323 L C -0.224 176.537 176.870 -0.183 0.000 0.980 323 L CA -0.315 54.428 54.840 -0.162 0.000 0.831 323 L CB 1.593 43.586 42.059 -0.109 0.000 1.253 323 L HN 0.856 nan 8.230 nan 0.000 0.406 324 A N 6.229 128.976 122.820 -0.122 0.000 2.288 324 A HA 0.755 5.075 4.320 -0.000 0.000 0.320 324 A C -0.964 176.595 177.584 -0.043 0.000 1.217 324 A CA -0.520 51.465 52.037 -0.087 0.000 0.840 324 A CB 0.436 19.407 19.000 -0.049 0.000 1.179 324 A HN 0.753 nan 8.150 nan 0.000 0.504 325 L N 4.124 125.327 121.223 -0.033 0.000 2.322 325 L HA 0.438 4.778 4.340 -0.000 0.000 0.279 325 L C -1.834 175.030 176.870 -0.010 0.000 1.036 325 L CA -1.979 52.849 54.840 -0.020 0.000 0.807 325 L CB 2.072 44.113 42.059 -0.029 0.000 1.226 325 L HN 0.528 nan 8.230 nan 0.000 0.433 326 P HA 0.103 nan 4.420 nan 0.000 0.230 326 P C -0.909 176.384 177.300 -0.012 0.000 1.791 326 P CA -0.017 63.081 63.100 -0.005 0.000 1.020 326 P CB 0.088 31.785 31.700 -0.005 0.000 1.977 327 K N 0.969 121.364 120.400 -0.010 0.000 2.663 327 K HA 0.451 4.771 4.320 -0.000 0.000 0.267 327 K C -1.567 175.023 176.600 -0.015 0.000 1.004 327 K CA -0.618 55.658 56.287 -0.018 0.000 0.947 327 K CB 0.930 33.410 32.500 -0.034 0.000 1.372 327 K HN 0.068 nan 8.250 nan 0.000 0.411 328 A N 5.315 128.128 122.820 -0.012 0.000 2.451 328 A HA 0.385 4.705 4.320 -0.000 0.000 0.266 328 A C -0.208 177.345 177.584 -0.052 0.000 1.119 328 A CA -0.296 51.733 52.037 -0.012 0.000 0.786 328 A CB -0.148 18.851 19.000 -0.002 0.000 1.061 328 A HN 0.590 nan 8.150 nan 0.000 0.503 329 L N 2.840 124.011 121.223 -0.086 0.000 2.375 329 L HA 0.335 4.675 4.340 -0.000 0.000 0.271 329 L C 1.241 178.003 176.870 -0.180 0.000 1.107 329 L CA -0.483 54.279 54.840 -0.130 0.000 0.806 329 L CB 1.447 43.415 42.059 -0.152 0.000 1.146 329 L HN 0.901 nan 8.230 nan 0.000 0.447 330 S N 1.876 117.485 115.700 -0.152 0.000 2.584 330 S HA 0.121 4.591 4.470 -0.000 0.000 0.270 330 S C 1.013 175.482 174.600 -0.218 0.000 1.346 330 S CA -0.440 57.670 58.200 -0.151 0.000 1.018 330 S CB 1.016 64.152 63.200 -0.106 0.000 0.899 330 S HN 0.612 nan 8.310 nan 0.000 0.542 331 R N 1.231 121.610 120.500 -0.201 0.000 2.081 331 R HA 0.012 4.352 4.340 -0.000 0.000 0.235 331 R C 2.365 178.561 176.300 -0.172 0.000 1.131 331 R CA 1.334 57.296 56.100 -0.231 0.000 0.960 331 R CB -0.374 29.845 30.300 -0.135 0.000 0.856 331 R HN 0.566 nan 8.270 nan 0.000 0.436 332 K N 1.185 121.515 120.400 -0.118 0.000 2.001 332 K HA -0.209 4.111 4.320 -0.000 0.000 0.214 332 K C 1.915 178.459 176.600 -0.093 0.000 1.050 332 K CA 1.915 58.151 56.287 -0.085 0.000 0.934 332 K CB -0.176 32.284 32.500 -0.067 0.000 0.718 332 K HN 0.322 nan 8.250 nan 0.000 0.443 333 E N 0.049 120.184 120.200 -0.108 0.000 2.038 333 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 333 E C 2.036 178.565 176.600 -0.119 0.000 1.000 333 E CA 1.428 57.766 56.400 -0.103 0.000 0.803 333 E CB -0.143 29.493 29.700 -0.107 0.000 0.750 333 E HN 0.008 nan 8.360 nan 0.000 0.448 334 V N 1.419 121.217 119.914 -0.194 0.000 2.380 334 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 334 V C 2.278 178.293 176.094 -0.132 0.000 1.063 334 V CA 1.877 64.034 62.300 -0.238 0.000 1.055 334 V CB -0.756 30.732 31.823 -0.558 0.000 0.657 334 V HN 0.352 nan 8.190 nan 0.000 0.455 335 A N -0.537 122.217 122.820 -0.110 0.000 1.969 335 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 335 A C 2.298 179.873 177.584 -0.014 0.000 1.169 335 A CA 1.736 53.750 52.037 -0.038 0.000 0.635 335 A CB -0.336 18.643 19.000 -0.034 0.000 0.810 335 A HN 0.675 nan 8.150 nan 0.000 0.445 336 E N 0.156 120.338 120.200 -0.030 0.000 2.016 336 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 336 E C 1.852 178.452 176.600 -0.001 0.000 0.985 336 E CA 0.815 57.206 56.400 -0.015 0.000 0.802 336 E CB -0.304 29.380 29.700 -0.027 0.000 0.762 336 E HN 0.527 nan 8.360 nan 0.000 0.448 337 L N 0.996 122.211 121.223 -0.013 0.000 2.197 337 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 337 L C 2.668 179.559 176.870 0.034 0.000 1.095 337 L CA 1.580 56.422 54.840 0.003 0.000 0.764 337 L CB -0.478 41.575 42.059 -0.010 0.000 0.897 337 L HN 0.395 nan 8.230 nan 0.000 0.436 338 E N 0.450 120.674 120.200 0.041 0.000 2.072 338 E HA -0.269 4.081 4.350 -0.000 0.000 0.190 338 E C 2.009 178.651 176.600 0.069 0.000 0.982 338 E CA 1.132 57.576 56.400 0.072 0.000 0.803 338 E CB 0.166 29.919 29.700 0.088 0.000 0.755 338 E HN 0.466 nan 8.360 nan 0.000 0.453 339 E N -0.025 120.206 120.200 0.052 0.000 2.268 339 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 339 E C 1.828 178.472 176.600 0.074 0.000 0.995 339 E CA 0.880 57.312 56.400 0.052 0.000 0.836 339 E CB -0.016 29.705 29.700 0.035 0.000 0.763 339 E HN 0.104 nan 8.360 nan 0.000 0.491 340 V N 0.803 120.767 119.914 0.083 0.000 2.270 340 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 340 V C 2.414 178.626 176.094 0.197 0.000 1.043 340 V CA 1.875 64.256 62.300 0.136 0.000 1.014 340 V CB -0.911 30.962 31.823 0.082 0.000 0.645 340 V HN 0.542 nan 8.190 nan 0.000 0.447 341 A N -0.200 122.695 122.820 0.124 0.000 1.873 341 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 341 A C 2.229 179.891 177.584 0.131 0.000 1.193 341 A CA 2.444 54.553 52.037 0.121 0.000 0.629 341 A CB -0.548 18.509 19.000 0.095 0.000 0.826 341 A HN 0.588 nan 8.150 nan 0.000 0.447 342 K N -1.292 119.168 120.400 0.099 0.000 2.097 342 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 342 K C 2.261 178.893 176.600 0.053 0.000 1.050 342 K CA 0.946 57.275 56.287 0.070 0.000 0.938 342 K CB -0.146 32.388 32.500 0.055 0.000 0.718 342 K HN 0.155 nan 8.250 nan 0.000 0.442 343 R N 0.787 121.323 120.500 0.059 0.000 2.120 343 R HA -0.003 4.337 4.340 -0.000 0.000 0.234 343 R C 0.413 176.632 176.300 -0.136 0.000 1.123 343 R CA 1.196 57.284 56.100 -0.020 0.000 0.975 343 R CB -0.405 29.891 30.300 -0.006 0.000 0.866 343 R HN 0.325 nan 8.270 nan 0.000 0.446 344 H N -0.191 118.893 119.070 0.024 0.000 2.495 344 H HA 0.213 4.769 4.556 -0.000 0.000 0.350 344 H C -0.134 175.208 175.328 0.024 0.000 1.202 344 H CA -0.318 55.745 56.048 0.026 0.000 1.322 344 H CB 0.724 30.503 29.762 0.028 0.000 1.544 344 H HN -0.300 nan 8.280 nan 0.000 0.565 345 K N 1.156 121.605 120.400 0.082 0.000 2.220 345 K HA 0.530 4.850 4.320 -0.000 0.000 0.283 345 K C -0.945 175.689 176.600 0.057 0.000 1.098 345 K CA -0.213 56.105 56.287 0.051 0.000 0.928 345 K CB 0.458 32.974 32.500 0.027 0.000 1.214 345 K HN 0.555 nan 8.250 nan 0.000 0.442 346 A N 2.557 125.412 122.820 0.059 0.000 2.402 346 A HA 0.139 4.459 4.320 -0.000 0.000 0.291 346 A C 0.930 178.543 177.584 0.048 0.000 1.051 346 A CA -0.913 51.156 52.037 0.054 0.000 0.716 346 A CB 0.873 19.916 19.000 0.071 0.000 1.223 346 A HN 0.795 nan 8.150 nan 0.000 0.425 347 Q N 1.806 121.626 119.800 0.034 0.000 2.290 347 Q HA 0.101 4.441 4.340 -0.000 0.000 0.211 347 Q C 0.774 176.804 176.000 0.049 0.000 0.991 347 Q CA 1.699 57.520 55.803 0.029 0.000 0.893 347 Q CB -0.140 28.605 28.738 0.011 0.000 0.913 347 Q HN 1.697 nan 8.270 nan 0.000 0.428 348 G N -0.357 108.485 108.800 0.071 0.000 2.313 348 G HA2 0.351 4.311 3.960 -0.000 0.000 0.296 348 G HA3 0.351 4.311 3.960 -0.000 0.000 0.296 348 G C -2.207 172.772 174.900 0.131 0.000 1.356 348 G CA -0.572 44.587 45.100 0.098 0.000 0.833 348 G HN 0.140 nan 8.290 nan 0.000 0.552 349 L N 1.332 122.658 121.223 0.171 0.000 2.462 349 L HA 0.669 5.009 4.340 -0.000 0.000 0.255 349 L C 0.797 177.852 176.870 0.309 0.000 1.076 349 L CA -0.494 54.475 54.840 0.216 0.000 0.920 349 L CB 0.393 42.560 42.059 0.180 0.000 1.214 349 L HN 1.132 nan 8.230 nan 0.000 0.472 350 A N 5.196 128.217 122.820 0.335 0.000 2.492 350 A HA 0.386 4.706 4.320 -0.000 0.000 0.236 350 A C -0.476 177.390 177.584 0.469 0.000 1.078 350 A CA 0.087 52.322 52.037 0.329 0.000 0.773 350 A CB 0.240 19.473 19.000 0.388 0.000 1.023 350 A HN 0.848 nan 8.150 nan 0.000 0.504 351 W N -2.258 119.215 121.300 0.289 0.000 2.961 351 W HA 0.719 5.379 4.660 -0.000 0.000 0.368 351 W C -0.692 175.954 176.519 0.213 0.000 1.213 351 W CA -0.516 56.958 57.345 0.215 0.000 1.173 351 W CB 1.025 30.543 29.460 0.097 0.000 1.487 351 W HN 1.582 nan 8.180 nan 0.000 0.585 352 A N 1.069 124.178 122.820 0.481 0.000 2.569 352 A HA 0.640 4.960 4.320 -0.000 0.000 0.292 352 A C -1.629 176.217 177.584 0.437 0.000 1.032 352 A CA -1.120 51.085 52.037 0.279 0.000 0.669 352 A CB 1.418 20.490 19.000 0.120 0.000 1.290 352 A HN 0.586 nan 8.150 nan 0.000 0.422 353 R N 0.396 121.131 120.500 0.392 0.000 2.407 353 R HA 0.586 4.926 4.340 -0.000 0.000 0.303 353 R C -1.033 175.464 176.300 0.328 0.000 0.981 353 R CA -0.703 55.589 56.100 0.320 0.000 0.905 353 R CB 1.883 32.340 30.300 0.262 0.000 1.099 353 R HN 0.430 nan 8.270 nan 0.000 0.459 354 V N 4.157 124.238 119.914 0.278 0.000 2.364 354 V HA 0.192 4.312 4.120 -0.000 0.000 0.272 354 V C 0.244 176.406 176.094 0.113 0.000 1.036 354 V CA -0.323 62.140 62.300 0.271 0.000 0.880 354 V CB 0.960 32.943 31.823 0.267 0.000 0.991 354 V HN 0.708 nan 8.190 nan 0.000 0.460 355 E N 2.805 123.025 120.200 0.034 0.000 2.334 355 E HA 0.525 4.875 4.350 -0.000 0.000 0.256 355 E C -0.706 175.858 176.600 -0.060 0.000 0.958 355 E CA -1.058 55.340 56.400 -0.003 0.000 0.821 355 E CB 1.473 31.170 29.700 -0.004 0.000 1.269 355 E HN 0.619 nan 8.360 nan 0.000 0.413 356 E N -0.174 119.995 120.200 -0.052 0.000 2.418 356 E HA 0.289 4.639 4.350 -0.000 0.000 0.261 356 E C 0.740 177.272 176.600 -0.113 0.000 1.070 356 E CA 0.814 57.173 56.400 -0.069 0.000 0.931 356 E CB 0.136 29.809 29.700 -0.045 0.000 0.954 356 E HN 0.757 nan 8.360 nan 0.000 0.439 357 G N 0.824 109.548 108.800 -0.126 0.000 2.337 357 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.290 357 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.290 357 G C 0.587 175.339 174.900 -0.247 0.000 1.003 357 G CA 0.807 45.815 45.100 -0.153 0.000 0.825 357 G HN 0.973 nan 8.290 nan 0.000 0.509 358 G N -2.221 106.327 108.800 -0.420 0.000 2.345 358 G HA2 0.574 4.534 3.960 -0.000 0.000 0.285 358 G HA3 0.574 4.534 3.960 -0.000 0.000 0.285 358 G C -0.869 173.505 174.900 -0.877 0.000 1.297 358 G CA -0.408 44.277 45.100 -0.691 0.000 0.875 358 G HN 0.832 nan 8.290 nan 0.000 0.506 359 F N 0.430 120.395 119.950 0.025 0.000 2.620 359 F HA 0.852 5.379 4.527 -0.000 0.000 0.320 359 F C 0.531 176.337 175.800 0.009 0.000 1.069 359 F CA -0.406 57.617 58.000 0.039 0.000 0.953 359 F CB 2.716 41.752 39.000 0.061 0.000 1.322 359 F HN 0.798 nan 8.300 nan 0.000 0.479 360 S N 0.126 115.959 115.700 0.221 0.000 2.541 360 S HA 0.900 5.370 4.470 -0.000 0.000 0.271 360 S C -0.601 174.084 174.600 0.142 0.000 1.133 360 S CA -0.332 57.940 58.200 0.119 0.000 0.876 360 S CB 1.498 64.754 63.200 0.093 0.000 1.105 360 S HN 2.037 nan 8.310 nan 0.000 0.470 361 G N 0.649 109.481 108.800 0.054 0.000 2.661 361 G HA2 0.399 4.359 3.960 -0.000 0.000 0.685 361 G HA3 0.399 4.359 3.960 -0.000 0.000 0.685 361 G C 0.784 175.369 174.900 -0.525 0.000 1.298 361 G CA 0.144 45.252 45.100 0.013 0.000 0.855 361 G HN 2.337 nan 8.290 nan 0.000 0.560 362 G N -1.156 106.727 108.800 -1.528 0.000 2.699 362 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.408 362 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.408 362 G C 1.649 176.090 174.900 -0.766 0.000 1.112 362 G CA 2.942 47.027 45.100 -1.691 0.000 0.885 362 G HN 2.243 nan 8.290 nan 0.000 0.690 363 V N 1.804 121.343 119.914 -0.625 0.000 3.577 363 V HA 0.473 4.593 4.120 -0.000 0.000 0.294 363 V C 2.709 178.578 176.094 -0.376 0.000 1.317 363 V CA 1.282 63.293 62.300 -0.482 0.000 1.169 363 V CB -0.568 30.913 31.823 -0.571 0.000 1.011 363 V HN 1.193 nan 8.190 nan 0.000 0.426 364 A N 0.506 123.163 122.820 -0.271 0.000 1.971 364 A HA -0.342 3.978 4.320 -0.000 0.000 0.222 364 A C 2.192 179.683 177.584 -0.155 0.000 1.182 364 A CA 2.537 54.515 52.037 -0.099 0.000 0.649 364 A CB -0.593 18.450 19.000 0.072 0.000 0.818 364 A HN 0.662 nan 8.150 nan 0.000 0.458 365 K N -0.982 119.178 120.400 -0.399 0.000 2.052 365 K HA -0.235 4.085 4.320 -0.000 0.000 0.215 365 K C 1.472 177.749 176.600 -0.539 0.000 1.053 365 K CA 2.391 58.327 56.287 -0.585 0.000 0.934 365 K CB -0.424 31.450 32.500 -1.044 0.000 0.717 365 K HN 0.507 nan 8.250 nan 0.000 0.450 366 F N 0.804 120.585 119.950 -0.282 0.000 2.710 366 F HA 0.086 4.613 4.527 -0.000 0.000 0.298 366 F C 1.764 177.545 175.800 -0.032 0.000 1.137 366 F CA 0.104 57.988 58.000 -0.193 0.000 1.444 366 F CB -0.059 38.704 39.000 -0.396 0.000 1.111 366 F HN -0.038 nan 8.300 nan 0.000 0.580 367 L N -0.415 120.840 121.223 0.052 0.000 2.179 367 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 367 L C 2.497 179.516 176.870 0.250 0.000 1.096 367 L CA 0.780 55.636 54.840 0.027 0.000 0.779 367 L CB -0.558 41.159 42.059 -0.570 0.000 0.922 367 L HN 0.051 nan 8.230 nan 0.000 0.443 368 E N 1.343 121.748 120.200 0.341 0.000 2.055 368 E HA -0.223 4.127 4.350 -0.000 0.000 0.209 368 E C -0.544 176.196 176.600 0.234 0.000 1.036 368 E CA 2.265 58.880 56.400 0.358 0.000 0.849 368 E CB -1.317 28.474 29.700 0.152 0.000 0.767 368 E HN 0.278 nan 8.360 nan 0.000 0.461 369 P HA -0.142 nan 4.420 nan 0.000 0.218 369 P C 1.098 178.449 177.300 0.085 0.000 1.146 369 P CA 1.969 65.130 63.100 0.103 0.000 0.813 369 P CB -0.122 31.637 31.700 0.099 0.000 0.778 370 V N -4.063 115.909 119.914 0.098 0.000 3.376 370 V HA 0.307 4.427 4.120 -0.000 0.000 0.313 370 V C 2.533 178.698 176.094 0.118 0.000 1.393 370 V CA -0.174 62.134 62.300 0.014 0.000 1.125 370 V CB -0.997 30.706 31.823 -0.199 0.000 1.037 370 V HN -0.124 nan 8.190 nan 0.000 0.440 371 R N 1.037 121.700 120.500 0.271 0.000 2.154 371 R HA -0.246 4.094 4.340 -0.000 0.000 0.236 371 R C 2.320 178.778 176.300 0.263 0.000 1.121 371 R CA 2.627 58.996 56.100 0.448 0.000 0.915 371 R CB -0.367 30.106 30.300 0.289 0.000 0.856 371 R HN 0.530 nan 8.270 nan 0.000 0.431 372 E N -0.038 120.240 120.200 0.129 0.000 2.049 372 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 372 E C 1.871 178.514 176.600 0.073 0.000 1.007 372 E CA 1.740 58.187 56.400 0.079 0.000 0.809 372 E CB -0.418 29.306 29.700 0.040 0.000 0.749 372 E HN 0.544 nan 8.360 nan 0.000 0.450 373 A N 0.929 123.778 122.820 0.049 0.000 1.877 373 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 373 A C 2.259 179.868 177.584 0.041 0.000 1.186 373 A CA 1.488 53.537 52.037 0.020 0.000 0.620 373 A CB -0.719 18.264 19.000 -0.028 0.000 0.822 373 A HN 0.294 nan 8.150 nan 0.000 0.443 374 L N -0.628 120.636 121.223 0.069 0.000 2.191 374 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 374 L C 1.998 178.959 176.870 0.151 0.000 1.103 374 L CA 1.363 56.272 54.840 0.114 0.000 0.769 374 L CB -0.404 41.747 42.059 0.153 0.000 0.908 374 L HN 0.251 nan 8.230 nan 0.000 0.438 375 L N -1.073 120.255 121.223 0.175 0.000 2.109 375 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 375 L C 2.508 179.431 176.870 0.089 0.000 1.086 375 L CA 1.446 56.380 54.840 0.157 0.000 0.760 375 L CB -1.231 40.919 42.059 0.151 0.000 0.910 375 L HN 0.435 nan 8.230 nan 0.000 0.437 376 Q N -0.804 119.036 119.800 0.066 0.000 2.084 376 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 376 Q C 2.325 178.343 176.000 0.029 0.000 0.978 376 Q CA 1.809 57.635 55.803 0.038 0.000 0.844 376 Q CB -0.049 28.705 28.738 0.026 0.000 0.898 376 Q HN 0.524 nan 8.270 nan 0.000 0.426 377 A N 0.491 123.331 122.820 0.033 0.000 1.845 377 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 377 A C 2.259 179.854 177.584 0.017 0.000 1.195 377 A CA 2.107 54.157 52.037 0.022 0.000 0.616 377 A CB -1.210 17.808 19.000 0.029 0.000 0.832 377 A HN 0.527 nan 8.150 nan 0.000 0.443 378 T N -3.300 111.275 114.554 0.035 0.000 3.118 378 T HA 0.078 4.428 4.350 -0.000 0.000 0.260 378 T C 0.559 175.269 174.700 0.016 0.000 1.139 378 T CA 1.052 63.161 62.100 0.016 0.000 1.085 378 T CB -0.395 68.485 68.868 0.020 0.000 0.934 378 T HN 0.581 nan 8.240 nan 0.000 0.518 379 E N 0.103 120.321 120.200 0.029 0.000 2.539 379 E HA -0.197 4.153 4.350 -0.000 0.000 0.253 379 E C 0.036 176.656 176.600 0.034 0.000 1.145 379 E CA 0.026 56.441 56.400 0.026 0.000 0.738 379 E CB -1.555 28.150 29.700 0.008 0.000 1.308 379 E HN 0.865 nan 8.360 nan 0.000 0.409 380 A N 1.002 123.856 122.820 0.057 0.000 2.331 380 A HA 0.541 4.861 4.320 -0.000 0.000 0.283 380 A C 0.330 177.958 177.584 0.074 0.000 1.142 380 A CA -0.190 51.887 52.037 0.068 0.000 0.812 380 A CB 0.659 19.718 19.000 0.099 0.000 1.074 380 A HN 0.233 nan 8.150 nan 0.000 0.497 381 R N 1.678 122.211 120.500 0.055 0.000 2.700 381 R HA 0.475 4.815 4.340 -0.000 0.000 0.253 381 R C -2.659 173.671 176.300 0.051 0.000 1.091 381 R CA -1.841 54.285 56.100 0.043 0.000 1.104 381 R CB 0.439 30.754 30.300 0.026 0.000 1.202 381 R HN 0.415 nan 8.270 nan 0.000 0.532 382 P HA 0.096 nan 4.420 nan 0.000 0.275 382 P C 0.155 177.477 177.300 0.036 0.000 1.228 382 P CA 0.549 63.669 63.100 0.033 0.000 0.786 382 P CB 0.858 32.562 31.700 0.008 0.000 0.927 383 G N 1.006 109.835 108.800 0.048 0.000 2.213 383 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.226 383 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.226 383 G C -0.016 174.912 174.900 0.046 0.000 0.992 383 G CA -0.338 44.786 45.100 0.040 0.000 0.632 383 G HN 0.491 nan 8.290 nan 0.000 0.511 384 D N 0.929 121.366 120.400 0.062 0.000 2.354 384 D HA 0.588 5.228 4.640 -0.000 0.000 0.247 384 D C 0.333 176.685 176.300 0.087 0.000 1.138 384 D CA 0.539 54.574 54.000 0.058 0.000 0.958 384 D CB 1.013 41.848 40.800 0.058 0.000 1.144 384 D HN 0.095 nan 8.370 nan 0.000 0.458 385 T N 0.819 115.411 114.554 0.063 0.000 2.792 385 T HA 0.443 4.793 4.350 -0.000 0.000 0.280 385 T C 0.158 174.889 174.700 0.052 0.000 0.990 385 T CA -0.645 61.513 62.100 0.097 0.000 0.960 385 T CB 0.791 69.692 68.868 0.056 0.000 0.939 385 T HN 0.063 nan 8.240 nan 0.000 0.439 386 L N 3.608 124.871 121.223 0.066 0.000 2.289 386 L HA 0.508 4.848 4.340 -0.000 0.000 0.285 386 L C -0.907 175.826 176.870 -0.228 0.000 1.049 386 L CA -1.004 53.728 54.840 -0.180 0.000 0.804 386 L CB 1.080 42.990 42.059 -0.248 0.000 1.195 386 L HN 0.289 nan 8.230 nan 0.000 0.428 387 L N 3.966 124.938 121.223 -0.419 0.000 2.346 387 L HA 0.586 4.926 4.340 -0.000 0.000 0.276 387 L C -0.840 175.763 176.870 -0.444 0.000 1.006 387 L CA -0.153 54.564 54.840 -0.204 0.000 0.817 387 L CB 1.565 43.585 42.059 -0.066 0.000 1.272 387 L HN 0.218 nan 8.230 nan 0.000 0.421 388 F N 2.336 122.363 119.950 0.129 0.000 2.569 388 F HA 0.666 5.193 4.527 -0.000 0.000 0.312 388 F C -0.263 175.567 175.800 0.050 0.000 1.109 388 F CA -0.967 57.067 58.000 0.056 0.000 0.919 388 F CB 2.015 41.080 39.000 0.108 0.000 1.211 388 F HN -0.015 nan 8.300 nan 0.000 0.446 389 V N 2.404 122.408 119.914 0.149 0.000 2.604 389 V HA 0.901 5.021 4.120 -0.000 0.000 0.305 389 V C -0.602 175.490 176.094 -0.004 0.000 1.043 389 V CA -0.748 61.605 62.300 0.087 0.000 0.888 389 V CB 1.705 33.558 31.823 0.051 0.000 0.995 389 V HN 0.922 nan 8.190 nan 0.000 0.429 390 A N 2.978 125.791 122.820 -0.012 0.000 2.422 390 A HA 1.039 5.359 4.320 -0.000 0.000 0.302 390 A C 0.059 177.610 177.584 -0.054 0.000 1.041 390 A CA 0.174 52.153 52.037 -0.096 0.000 0.708 390 A CB 1.891 20.789 19.000 -0.171 0.000 1.257 390 A HN 1.678 nan 8.150 nan 0.000 0.414 391 G N 0.936 109.697 108.800 -0.064 0.000 2.441 391 G HA2 0.434 4.394 3.960 -0.000 0.000 0.222 391 G HA3 0.434 4.394 3.960 -0.000 0.000 0.222 391 G C -3.428 171.447 174.900 -0.040 0.000 1.254 391 G CA -0.520 44.552 45.100 -0.047 0.000 0.959 391 G HN 0.541 nan 8.290 nan 0.000 0.474 392 P HA 0.198 nan 4.420 nan 0.000 0.263 392 P C 0.998 178.291 177.300 -0.012 0.000 1.195 392 P CA 0.056 63.143 63.100 -0.022 0.000 0.762 392 P CB 0.988 32.679 31.700 -0.016 0.000 0.799 393 R N 5.121 125.613 120.500 -0.013 0.000 2.208 393 R HA -0.295 4.045 4.340 -0.000 0.000 0.262 393 R C 1.516 177.816 176.300 0.001 0.000 1.166 393 R CA 2.136 58.231 56.100 -0.009 0.000 0.987 393 R CB -0.290 30.008 30.300 -0.003 0.000 0.887 393 R HN 0.319 nan 8.270 nan 0.000 0.459 394 K N -0.269 120.144 120.400 0.020 0.000 2.067 394 K HA 0.007 4.327 4.320 -0.000 0.000 0.203 394 K C 2.038 178.661 176.600 0.038 0.000 1.048 394 K CA 0.985 57.295 56.287 0.038 0.000 0.954 394 K CB 0.164 32.710 32.500 0.076 0.000 0.737 394 K HN 0.084 nan 8.250 nan 0.000 0.444 395 V N 1.576 121.512 119.914 0.036 0.000 2.295 395 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 395 V C 2.327 178.441 176.094 0.033 0.000 1.049 395 V CA 2.045 64.371 62.300 0.043 0.000 1.024 395 V CB -0.582 31.259 31.823 0.030 0.000 0.648 395 V HN 0.456 nan 8.190 nan 0.000 0.447 396 A N 0.036 122.862 122.820 0.010 0.000 1.869 396 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 396 A C 2.400 179.981 177.584 -0.005 0.000 1.203 396 A CA 2.826 54.861 52.037 -0.003 0.000 0.638 396 A CB -1.056 17.929 19.000 -0.025 0.000 0.831 396 A HN 0.633 nan 8.150 nan 0.000 0.450 397 A N -0.927 121.886 122.820 -0.012 0.000 1.929 397 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 397 A C 2.360 179.932 177.584 -0.020 0.000 1.176 397 A CA 2.307 54.330 52.037 -0.025 0.000 0.628 397 A CB -1.302 17.674 19.000 -0.040 0.000 0.816 397 A HN 0.778 nan 8.150 nan 0.000 0.444 398 T N -1.924 112.635 114.554 0.008 0.000 2.867 398 T HA 0.118 4.468 4.350 -0.000 0.000 0.268 398 T C 1.901 176.572 174.700 -0.048 0.000 1.057 398 T CA 1.421 63.531 62.100 0.015 0.000 1.136 398 T CB -0.403 68.526 68.868 0.101 0.000 0.874 398 T HN 0.468 nan 8.240 nan 0.000 0.466 399 A N 1.556 124.381 122.820 0.007 0.000 1.855 399 A HA 0.299 4.619 4.320 -0.000 0.000 0.213 399 A C 2.355 179.909 177.584 -0.050 0.000 1.195 399 A CA 0.832 52.872 52.037 0.005 0.000 0.610 399 A CB -0.951 18.095 19.000 0.078 0.000 0.837 399 A HN 0.451 nan 8.150 nan 0.000 0.444 400 L N -0.287 120.920 121.223 -0.026 0.000 2.191 400 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 400 L C 2.399 179.236 176.870 -0.055 0.000 1.103 400 L CA 1.575 56.397 54.840 -0.031 0.000 0.769 400 L CB -0.742 41.298 42.059 -0.031 0.000 0.908 400 L HN 0.499 nan 8.230 nan 0.000 0.438 401 G N -0.981 107.776 108.800 -0.072 0.000 2.402 401 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 401 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 401 G C 1.696 176.531 174.900 -0.109 0.000 1.162 401 G CA 0.692 45.751 45.100 -0.069 0.000 0.777 401 G HN 0.523 nan 8.290 nan 0.000 0.539 402 A N 0.340 123.002 122.820 -0.263 0.000 1.883 402 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 402 A C 2.615 180.115 177.584 -0.140 0.000 1.186 402 A CA 1.955 53.775 52.037 -0.361 0.000 0.624 402 A CB -0.856 17.569 19.000 -0.958 0.000 0.822 402 A HN 0.266 nan 8.150 nan 0.000 0.444 403 V N 0.329 120.183 119.914 -0.101 0.000 2.250 403 V HA -0.342 3.778 4.120 -0.000 0.000 0.250 403 V C 2.676 178.763 176.094 -0.012 0.000 1.060 403 V CA 2.507 64.786 62.300 -0.034 0.000 1.030 403 V CB -0.854 30.959 31.823 -0.018 0.000 0.643 403 V HN 0.674 nan 8.190 nan 0.000 0.445 404 R N -0.543 119.958 120.500 0.001 0.000 2.139 404 R HA -0.186 4.154 4.340 -0.000 0.000 0.243 404 R C 2.222 178.600 176.300 0.130 0.000 1.145 404 R CA 1.696 57.836 56.100 0.067 0.000 0.976 404 R CB -0.253 30.090 30.300 0.072 0.000 0.866 404 R HN 0.489 nan 8.270 nan 0.000 0.449 405 L N -0.247 121.029 121.223 0.087 0.000 2.095 405 L HA -0.105 4.235 4.340 -0.000 0.000 0.204 405 L C 2.689 179.561 176.870 0.005 0.000 1.080 405 L CA 0.993 55.892 54.840 0.097 0.000 0.759 405 L CB -0.333 41.766 42.059 0.067 0.000 0.914 405 L HN 0.134 nan 8.230 nan 0.000 0.439 406 R N 1.044 121.537 120.500 -0.012 0.000 2.075 406 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 406 R C 2.153 178.414 176.300 -0.065 0.000 1.126 406 R CA 1.736 57.816 56.100 -0.033 0.000 0.963 406 R CB -0.734 29.555 30.300 -0.019 0.000 0.858 406 R HN 0.254 nan 8.270 nan 0.000 0.435 407 A N 0.372 123.158 122.820 -0.056 0.000 2.024 407 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 407 A C 2.354 179.845 177.584 -0.154 0.000 1.164 407 A CA 1.813 53.804 52.037 -0.078 0.000 0.643 407 A CB -0.982 17.993 19.000 -0.041 0.000 0.806 407 A HN 0.533 nan 8.150 nan 0.000 0.451 408 A N -0.244 122.432 122.820 -0.240 0.000 1.930 408 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 408 A C 1.787 179.177 177.584 -0.323 0.000 1.175 408 A CA 1.672 53.404 52.037 -0.509 0.000 0.627 408 A CB -0.392 18.061 19.000 -0.912 0.000 0.815 408 A HN 0.486 nan 8.150 nan 0.000 0.443 409 D N 0.346 120.622 120.400 -0.206 0.000 2.087 409 D HA -0.111 4.529 4.640 -0.000 0.000 0.203 409 D C 2.138 178.361 176.300 -0.129 0.000 0.976 409 D CA 1.133 55.044 54.000 -0.147 0.000 0.865 409 D CB -0.704 40.037 40.800 -0.099 0.000 1.005 409 D HN 0.301 nan 8.370 nan 0.000 0.449 410 L N 0.231 121.392 121.223 -0.103 0.000 2.077 410 L HA -0.281 4.059 4.340 -0.000 0.000 0.231 410 L C 2.725 179.537 176.870 -0.096 0.000 1.100 410 L CA 1.262 56.049 54.840 -0.088 0.000 0.819 410 L CB -0.850 41.162 42.059 -0.079 0.000 0.913 410 L HN 0.104 nan 8.230 nan 0.000 0.446 411 L N -0.840 120.314 121.223 -0.114 0.000 2.187 411 L HA -0.140 4.200 4.340 -0.000 0.000 0.213 411 L C 1.762 178.565 176.870 -0.111 0.000 1.100 411 L CA 1.814 56.589 54.840 -0.110 0.000 0.765 411 L CB -0.519 41.467 42.059 -0.123 0.000 0.904 411 L HN 0.594 nan 8.230 nan 0.000 0.437 412 G N -2.374 106.347 108.800 -0.131 0.000 2.218 412 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 412 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 412 G C 0.277 175.093 174.900 -0.140 0.000 0.994 412 G CA -0.227 44.802 45.100 -0.117 0.000 0.637 412 G HN 0.023 nan 8.290 nan 0.000 0.505 413 L N 1.716 122.823 121.223 -0.193 0.000 2.949 413 L HA -0.044 4.296 4.340 -0.000 0.000 0.293 413 L C 0.491 177.254 176.870 -0.178 0.000 1.021 413 L CA 1.042 55.749 54.840 -0.222 0.000 1.064 413 L CB -0.290 41.507 42.059 -0.438 0.000 1.524 413 L HN 0.193 nan 8.230 nan 0.000 0.435 414 K N 5.214 125.543 120.400 -0.118 0.000 2.021 414 K HA 0.044 4.364 4.320 -0.000 0.000 0.238 414 K C 0.461 177.006 176.600 -0.092 0.000 1.149 414 K CA 0.013 56.241 56.287 -0.099 0.000 1.105 414 K CB -0.341 32.112 32.500 -0.078 0.000 1.246 414 K HN 0.318 nan 8.250 nan 0.000 0.307 415 R N 2.196 122.634 120.500 -0.103 0.000 2.413 415 R HA 0.041 4.381 4.340 -0.000 0.000 0.333 415 R C 0.283 176.527 176.300 -0.093 0.000 1.074 415 R CA 0.287 56.346 56.100 -0.068 0.000 0.982 415 R CB 0.290 30.559 30.300 -0.053 0.000 0.981 415 R HN 0.292 nan 8.270 nan 0.000 0.452 416 E N 0.953 121.089 120.200 -0.108 0.000 2.378 416 E HA 0.639 4.989 4.350 -0.000 0.000 0.265 416 E C 0.472 176.924 176.600 -0.246 0.000 0.932 416 E CA -0.371 55.923 56.400 -0.177 0.000 0.795 416 E CB 1.950 31.556 29.700 -0.157 0.000 1.296 416 E HN 0.567 nan 8.360 nan 0.000 0.438 417 G N 0.111 108.660 108.800 -0.419 0.000 2.660 417 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 417 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 417 G C -1.048 173.382 174.900 -0.784 0.000 1.345 417 G CA -0.587 44.167 45.100 -0.576 0.000 0.877 417 G HN 0.262 nan 8.290 nan 0.000 0.549 418 F N 0.590 120.429 119.950 -0.185 0.000 2.518 418 F HA 0.715 5.242 4.527 -0.000 0.000 0.323 418 F C 0.494 176.030 175.800 -0.441 0.000 1.129 418 F CA -1.003 56.781 58.000 -0.360 0.000 0.920 418 F CB 2.267 41.005 39.000 -0.438 0.000 1.160 418 F HN 0.245 nan 8.300 nan 0.000 0.440 419 R N 3.759 124.054 120.500 -0.342 0.000 2.388 419 R HA 0.425 4.765 4.340 -0.000 0.000 0.314 419 R C -1.393 174.570 176.300 -0.562 0.000 0.959 419 R CA -0.805 55.081 56.100 -0.356 0.000 0.851 419 R CB 1.150 31.305 30.300 -0.240 0.000 1.168 419 R HN 0.566 nan 8.270 nan 0.000 0.472 420 F N 3.678 123.281 119.950 -0.579 0.000 2.425 420 F HA 0.617 5.144 4.527 -0.000 0.000 0.331 420 F C 0.608 175.985 175.800 -0.705 0.000 1.085 420 F CA -0.875 56.557 58.000 -0.946 0.000 1.028 420 F CB 1.474 39.199 39.000 -2.125 0.000 1.177 420 F HN 0.315 nan 8.300 nan 0.000 0.487 421 L N 0.025 121.011 121.223 -0.394 0.000 2.591 421 L HA 0.525 4.865 4.340 -0.000 0.000 0.257 421 L C -2.283 174.474 176.870 -0.189 0.000 0.935 421 L CA -0.924 53.788 54.840 -0.214 0.000 0.873 421 L CB 1.374 43.350 42.059 -0.138 0.000 1.397 421 L HN 0.622 nan 8.230 nan 0.000 0.414 422 W N 2.340 123.691 121.300 0.086 0.000 2.365 422 W HA 0.652 5.312 4.660 -0.000 0.000 0.316 422 W C -0.359 176.210 176.519 0.084 0.000 1.164 422 W CA -0.726 56.688 57.345 0.116 0.000 1.204 422 W CB 2.001 31.533 29.460 0.120 0.000 1.213 422 W HN 0.224 nan 8.180 nan 0.000 0.539 423 V N 6.173 126.333 119.914 0.410 0.000 2.294 423 V HA 0.244 4.364 4.120 -0.000 0.000 0.272 423 V C 0.156 176.408 176.094 0.263 0.000 1.027 423 V CA -0.776 61.639 62.300 0.191 0.000 0.823 423 V CB 0.133 32.020 31.823 0.108 0.000 1.030 423 V HN 0.408 nan 8.190 nan 0.000 0.457 424 V N 1.233 121.255 119.914 0.180 0.000 3.193 424 V HA 0.701 4.821 4.120 -0.000 0.000 0.320 424 V C 0.230 176.393 176.094 0.116 0.000 1.112 424 V CA -0.858 61.583 62.300 0.235 0.000 1.026 424 V CB 1.596 33.537 31.823 0.197 0.000 1.128 424 V HN 0.754 nan 8.190 nan 0.000 0.452 425 D N -0.122 120.409 120.400 0.218 0.000 2.699 425 D HA -0.178 4.462 4.640 -0.000 0.000 0.239 425 D C -0.455 175.962 176.300 0.194 0.000 1.136 425 D CA 0.972 55.088 54.000 0.193 0.000 0.668 425 D CB -1.192 39.685 40.800 0.127 0.000 1.060 425 D HN 0.537 nan 8.370 nan 0.000 0.429 426 F N 0.435 120.472 119.950 0.146 0.000 2.403 426 F HA 0.312 4.839 4.527 -0.000 0.000 0.320 426 F C -1.099 174.686 175.800 -0.025 0.000 1.176 426 F CA -1.387 56.627 58.000 0.022 0.000 1.206 426 F CB 0.097 39.118 39.000 0.036 0.000 1.235 426 F HN -0.138 nan 8.300 nan 0.000 0.565 427 P HA 0.048 nan 4.420 nan 0.000 0.277 427 P C 0.442 177.738 177.300 -0.006 0.000 1.240 427 P CA -0.298 62.824 63.100 0.037 0.000 0.798 427 P CB 1.387 33.096 31.700 0.014 0.000 0.979 428 L N 2.504 123.720 121.223 -0.012 0.000 2.056 428 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 428 L C 0.834 177.653 176.870 -0.085 0.000 1.078 428 L CA 1.857 56.672 54.840 -0.042 0.000 0.749 428 L CB -0.548 41.479 42.059 -0.052 0.000 0.901 428 L HN 0.303 nan 8.230 nan 0.000 0.433 429 L N -1.232 119.942 121.223 -0.082 0.000 2.286 429 L HA 0.510 4.850 4.340 -0.000 0.000 0.265 429 L C -0.292 176.634 176.870 0.093 0.000 1.012 429 L CA -0.848 53.980 54.840 -0.021 0.000 0.818 429 L CB 1.662 43.668 42.059 -0.089 0.000 1.337 429 L HN 0.136 nan 8.230 nan 0.000 0.438 430 E N -1.458 118.851 120.200 0.181 0.000 2.442 430 E HA 0.339 4.689 4.350 -0.000 0.000 0.261 430 E C -0.645 176.158 176.600 0.338 0.000 0.935 430 E CA -0.739 55.803 56.400 0.236 0.000 0.856 430 E CB 1.839 31.578 29.700 0.066 0.000 1.571 430 E HN 0.604 nan 8.360 nan 0.000 0.431 431 W N 0.185 121.525 121.300 0.066 0.000 4.634 431 W HA 0.121 4.781 4.660 -0.000 0.000 0.188 431 W C -0.587 175.883 176.519 -0.081 0.000 1.087 431 W CA 0.505 57.824 57.345 -0.043 0.000 1.788 431 W CB 0.773 30.170 29.460 -0.104 0.000 0.651 431 W HN 0.659 nan 8.180 nan 0.000 0.982 432 D N 1.786 122.401 120.400 0.358 0.000 2.358 432 D HA 0.281 4.921 4.640 -0.000 0.000 0.258 432 D C -0.771 175.630 176.300 0.168 0.000 1.223 432 D CA 0.644 54.815 54.000 0.286 0.000 0.886 432 D CB 1.048 41.935 40.800 0.145 0.000 1.120 432 D HN -0.074 nan 8.370 nan 0.000 0.482 433 E N 1.065 121.383 120.200 0.197 0.000 2.415 433 E HA 0.096 4.446 4.350 -0.000 0.000 0.302 433 E C -0.224 176.446 176.600 0.115 0.000 0.907 433 E CA -0.666 55.787 56.400 0.089 0.000 0.798 433 E CB 1.244 30.948 29.700 0.007 0.000 1.315 433 E HN 0.544 nan 8.360 nan 0.000 0.396 434 E N 1.194 121.442 120.200 0.079 0.000 2.444 434 E HA -0.228 4.122 4.350 -0.000 0.000 0.204 434 E C 0.349 176.986 176.600 0.061 0.000 1.049 434 E CA 1.189 57.633 56.400 0.072 0.000 0.872 434 E CB 0.151 29.872 29.700 0.036 0.000 0.791 434 E HN 0.129 nan 8.360 nan 0.000 0.548 435 E N 1.573 121.791 120.200 0.031 0.000 2.014 435 E HA 0.068 4.418 4.350 -0.000 0.000 0.275 435 E C -0.767 175.799 176.600 -0.056 0.000 0.997 435 E CA -0.483 55.910 56.400 -0.012 0.000 0.804 435 E CB 0.494 30.173 29.700 -0.035 0.000 1.090 435 E HN 0.382 nan 8.360 nan 0.000 0.401 436 E N 2.015 122.208 120.200 -0.012 0.000 2.888 436 E HA 0.232 4.582 4.350 -0.000 0.000 0.271 436 E C 0.079 176.347 176.600 -0.553 0.000 1.527 436 E CA -0.153 56.203 56.400 -0.073 0.000 1.700 436 E CB 0.051 29.933 29.700 0.303 0.000 1.410 436 E HN 0.318 nan 8.360 nan 0.000 0.445 437 A N 0.711 123.121 122.820 -0.683 0.000 2.392 437 A HA 0.479 4.799 4.320 -0.000 0.000 0.283 437 A C -1.013 175.964 177.584 -1.012 0.000 1.197 437 A CA -0.707 50.940 52.037 -0.650 0.000 0.895 437 A CB 0.802 19.653 19.000 -0.248 0.000 1.400 437 A HN 0.341 nan 8.150 nan 0.000 0.461 438 W N 0.818 121.754 121.300 -0.606 0.000 2.316 438 W HA 0.433 5.093 4.660 -0.000 0.000 0.311 438 W C -0.506 175.823 176.519 -0.318 0.000 1.217 438 W CA 0.184 57.186 57.345 -0.571 0.000 1.199 438 W CB 1.603 30.875 29.460 -0.314 0.000 1.202 438 W HN 0.559 nan 8.180 nan 0.000 0.528 439 T N 4.659 119.196 114.554 -0.030 0.000 2.867 439 T HA 0.280 4.630 4.350 -0.000 0.000 0.282 439 T C -0.650 174.089 174.700 0.064 0.000 1.000 439 T CA -0.364 61.738 62.100 0.003 0.000 1.042 439 T CB 0.645 69.440 68.868 -0.121 0.000 0.973 439 T HN 0.165 nan 8.240 nan 0.000 0.465 440 Y N 1.807 122.038 120.300 -0.115 0.000 2.436 440 Y HA 0.410 4.960 4.550 -0.000 0.000 0.343 440 Y C 1.602 177.400 175.900 -0.170 0.000 1.008 440 Y CA -1.113 56.893 58.100 -0.157 0.000 1.241 440 Y CB 0.307 38.634 38.460 -0.221 0.000 1.153 440 Y HN 0.651 nan 8.280 nan 0.000 0.521 441 M N 2.571 122.032 119.600 -0.231 0.000 2.110 441 M HA -0.215 4.265 4.480 -0.000 0.000 0.257 441 M C 0.669 176.664 176.300 -0.509 0.000 1.071 441 M CA 2.389 57.425 55.300 -0.441 0.000 1.096 441 M CB -0.208 32.012 32.600 -0.633 0.000 1.300 441 M HN 0.978 nan 8.290 nan 0.000 0.411 442 H N -3.220 115.751 119.070 -0.164 0.000 2.323 442 H HA 0.229 4.785 4.556 -0.000 0.000 0.331 442 H C -0.085 175.265 175.328 0.037 0.000 1.214 442 H CA 0.368 56.343 56.048 -0.122 0.000 1.824 442 H CB 0.060 29.728 29.762 -0.158 0.000 1.526 442 H HN 0.352 nan 8.280 nan 0.000 0.625 443 H N 0.520 119.698 119.070 0.179 0.000 2.768 443 H HA 0.190 4.746 4.556 -0.000 0.000 0.371 443 H C -2.008 173.317 175.328 -0.005 0.000 1.151 443 H CA -2.573 53.561 56.048 0.144 0.000 1.165 443 H CB 2.146 31.926 29.762 0.029 0.000 1.722 443 H HN 0.024 nan 8.280 nan 0.000 0.543 444 P HA -0.075 nan 4.420 nan 0.000 0.226 444 P C 0.407 177.205 177.300 -0.837 0.000 1.153 444 P CA 1.189 63.635 63.100 -1.089 0.000 0.777 444 P CB 0.102 30.788 31.700 -1.689 0.000 0.794 445 F N -0.887 118.940 119.950 -0.206 0.000 2.693 445 F HA 0.124 4.651 4.527 -0.000 0.000 0.303 445 F C 0.815 176.575 175.800 -0.066 0.000 1.097 445 F CA -0.311 57.631 58.000 -0.098 0.000 1.330 445 F CB -0.229 38.780 39.000 0.015 0.000 1.067 445 F HN -0.300 nan 8.300 nan 0.000 0.565 446 T N 0.746 115.341 114.554 0.069 0.000 2.817 446 T HA -0.028 4.322 4.350 -0.000 0.000 0.295 446 T C 0.389 175.084 174.700 -0.010 0.000 0.958 446 T CA 0.042 62.154 62.100 0.021 0.000 1.157 446 T CB 0.823 69.715 68.868 0.040 0.000 0.898 446 T HN 0.069 nan 8.240 nan 0.000 0.536 447 S N 5.751 121.440 115.700 -0.018 0.000 2.531 447 S HA 0.251 4.721 4.470 -0.000 0.000 0.279 447 S C -1.844 172.756 174.600 -0.001 0.000 1.305 447 S CA -1.520 56.674 58.200 -0.011 0.000 1.058 447 S CB 0.281 63.464 63.200 -0.028 0.000 0.899 447 S HN 0.437 nan 8.310 nan 0.000 0.493 448 P HA 0.073 nan 4.420 nan 0.000 0.275 448 P C -0.616 176.727 177.300 0.071 0.000 1.266 448 P CA -0.405 62.714 63.100 0.032 0.000 0.793 448 P CB 0.332 32.039 31.700 0.011 0.000 1.074 449 H N 1.987 121.065 119.070 0.013 0.000 2.610 449 H HA 0.106 4.662 4.556 -0.000 0.000 0.336 449 H C -1.357 173.982 175.328 0.019 0.000 1.087 449 H CA -1.793 54.269 56.048 0.023 0.000 1.405 449 H CB 0.746 30.527 29.762 0.031 0.000 1.460 449 H HN 0.196 nan 8.280 nan 0.000 0.538 450 P HA -0.204 nan 4.420 nan 0.000 0.217 450 P C 0.873 178.324 177.300 0.252 0.000 1.151 450 P CA 1.391 64.574 63.100 0.139 0.000 0.849 450 P CB 0.558 32.270 31.700 0.020 0.000 0.787 451 E N 0.298 120.793 120.200 0.491 0.000 1.998 451 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 451 E C 1.687 178.329 176.600 0.069 0.000 1.003 451 E CA 1.393 57.885 56.400 0.154 0.000 0.829 451 E CB -0.691 28.963 29.700 -0.075 0.000 0.777 451 E HN 0.196 nan 8.360 nan 0.000 0.460 452 D N 0.744 121.157 120.400 0.021 0.000 2.401 452 D HA -0.177 4.463 4.640 -0.000 0.000 0.217 452 D C 1.524 177.834 176.300 0.017 0.000 0.978 452 D CA 0.364 54.365 54.000 0.001 0.000 0.951 452 D CB -0.162 40.637 40.800 -0.001 0.000 0.879 452 D HN 0.019 nan 8.370 nan 0.000 0.497 453 L N 0.939 122.191 121.223 0.048 0.000 1.997 453 L HA -0.166 4.174 4.340 -0.000 0.000 0.216 453 L C -0.749 176.125 176.870 0.006 0.000 1.074 453 L CA 2.033 56.891 54.840 0.029 0.000 0.763 453 L CB -1.666 40.420 42.059 0.044 0.000 0.890 453 L HN 0.132 nan 8.230 nan 0.000 0.434 454 P HA -0.115 nan 4.420 nan 0.000 0.231 454 P C 1.884 179.175 177.300 -0.015 0.000 1.158 454 P CA 1.087 64.186 63.100 -0.001 0.000 0.763 454 P CB 0.003 31.705 31.700 0.004 0.000 0.805 455 L N -1.775 119.433 121.223 -0.025 0.000 2.341 455 L HA -0.045 4.295 4.340 -0.000 0.000 0.214 455 L C 2.248 179.070 176.870 -0.080 0.000 1.115 455 L CA 0.202 55.015 54.840 -0.045 0.000 0.820 455 L CB -0.892 41.139 42.059 -0.048 0.000 0.944 455 L HN -0.112 nan 8.230 nan 0.000 0.452 456 L N 0.201 121.376 121.223 -0.080 0.000 2.034 456 L HA -0.282 4.058 4.340 -0.000 0.000 0.217 456 L C 2.458 179.256 176.870 -0.120 0.000 1.077 456 L CA 1.883 56.653 54.840 -0.117 0.000 0.769 456 L CB -0.519 41.493 42.059 -0.079 0.000 0.890 456 L HN 0.224 nan 8.230 nan 0.000 0.435 457 E N -0.886 119.276 120.200 -0.064 0.000 2.042 457 E HA -0.107 4.243 4.350 -0.000 0.000 0.189 457 E C 2.115 178.703 176.600 -0.021 0.000 0.974 457 E CA 1.071 57.450 56.400 -0.035 0.000 0.806 457 E CB -0.133 29.561 29.700 -0.009 0.000 0.769 457 E HN 0.521 nan 8.360 nan 0.000 0.451 458 K N -0.427 119.962 120.400 -0.017 0.000 2.243 458 K HA 0.007 4.327 4.320 -0.000 0.000 0.201 458 K C 0.039 176.642 176.600 0.006 0.000 1.051 458 K CA 1.045 57.335 56.287 0.005 0.000 0.970 458 K CB 0.453 32.958 32.500 0.008 0.000 0.755 458 K HN -0.095 nan 8.250 nan 0.000 0.465 459 D N 0.534 120.910 120.400 -0.039 0.000 2.668 459 D HA 0.224 4.864 4.640 -0.000 0.000 0.247 459 D C -2.371 173.833 176.300 -0.161 0.000 1.268 459 D CA -2.010 51.966 54.000 -0.040 0.000 0.842 459 D CB 1.523 42.319 40.800 -0.005 0.000 1.399 459 D HN -0.206 nan 8.370 nan 0.000 0.530 460 P HA -0.083 nan 4.420 nan 0.000 0.219 460 P C 1.253 178.206 177.300 -0.578 0.000 1.144 460 P CA 1.060 63.689 63.100 -0.785 0.000 0.806 460 P CB 0.488 31.010 31.700 -1.964 0.000 0.771 461 G N 0.183 108.856 108.800 -0.211 0.000 2.616 461 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.215 461 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.215 461 G C 1.490 176.395 174.900 0.008 0.000 1.284 461 G CA 0.308 45.432 45.100 0.040 0.000 0.823 461 G HN 0.120 nan 8.290 nan 0.000 0.569 462 R N 0.160 120.670 120.500 0.018 0.000 2.455 462 R HA 0.024 4.364 4.340 -0.000 0.000 0.211 462 R C -0.011 176.282 176.300 -0.012 0.000 1.143 462 R CA -0.040 56.069 56.100 0.014 0.000 1.110 462 R CB -0.890 29.418 30.300 0.013 0.000 0.819 462 R HN 0.134 nan 8.270 nan 0.000 0.485 463 V N 4.313 124.202 119.914 -0.042 0.000 2.372 463 V HA 0.144 4.264 4.120 -0.000 0.000 0.261 463 V C 0.444 176.536 176.094 -0.004 0.000 1.055 463 V CA -0.503 61.772 62.300 -0.042 0.000 0.930 463 V CB 0.507 32.273 31.823 -0.093 0.000 1.031 463 V HN 0.309 nan 8.190 nan 0.000 0.479 464 R N 4.423 124.942 120.500 0.031 0.000 2.441 464 R HA 0.752 5.092 4.340 -0.000 0.000 0.284 464 R C -0.058 176.315 176.300 0.122 0.000 1.070 464 R CA -0.277 55.873 56.100 0.084 0.000 1.047 464 R CB 1.008 31.364 30.300 0.093 0.000 1.016 464 R HN 0.543 nan 8.270 nan 0.000 0.477 465 A N 2.958 125.859 122.820 0.135 0.000 2.257 465 A HA 0.418 4.738 4.320 -0.000 0.000 0.289 465 A C 0.463 178.136 177.584 0.148 0.000 1.095 465 A CA -0.832 51.278 52.037 0.121 0.000 0.836 465 A CB 0.612 19.687 19.000 0.125 0.000 1.111 465 A HN 0.793 nan 8.150 nan 0.000 0.497 466 L N 0.969 122.241 121.223 0.081 0.000 3.084 466 L HA 0.396 4.736 4.340 -0.000 0.000 0.238 466 L C 0.620 177.489 176.870 -0.001 0.000 1.327 466 L CA -0.057 54.831 54.840 0.080 0.000 1.094 466 L CB -0.585 41.482 42.059 0.013 0.000 1.477 466 L HN 0.758 nan 8.230 nan 0.000 0.514 467 A N 0.229 123.023 122.820 -0.045 0.000 2.282 467 A HA 0.916 5.236 4.320 -0.000 0.000 0.324 467 A C -1.248 176.215 177.584 -0.202 0.000 1.119 467 A CA -0.336 51.435 52.037 -0.443 0.000 0.880 467 A CB 1.264 20.003 19.000 -0.435 0.000 1.294 467 A HN 0.336 nan 8.150 nan 0.000 0.493 468 Y N -1.826 118.535 120.300 0.102 0.000 2.465 468 Y HA 0.584 5.134 4.550 -0.000 0.000 0.323 468 Y C -1.619 174.499 175.900 0.362 0.000 1.191 468 Y CA -1.864 56.447 58.100 0.353 0.000 1.082 468 Y CB 0.100 38.692 38.460 0.219 0.000 1.334 468 Y HN 0.495 nan 8.280 nan 0.000 0.449 469 D N 1.989 122.828 120.400 0.731 0.000 2.268 469 D HA 0.558 5.198 4.640 -0.000 0.000 0.249 469 D C -1.373 175.245 176.300 0.530 0.000 1.008 469 D CA -0.402 53.907 54.000 0.514 0.000 0.939 469 D CB 2.100 43.190 40.800 0.483 0.000 1.170 469 D HN 0.629 nan 8.370 nan 0.000 0.468 470 L N 2.424 123.795 121.223 0.245 0.000 2.342 470 L HA 0.528 4.868 4.340 -0.000 0.000 0.276 470 L C -1.245 175.542 176.870 -0.139 0.000 0.997 470 L CA -0.900 53.830 54.840 -0.182 0.000 0.838 470 L CB 1.227 43.024 42.059 -0.436 0.000 1.224 470 L HN 0.196 nan 8.230 nan 0.000 0.416 471 V N 4.829 124.647 119.914 -0.160 0.000 2.628 471 V HA 0.756 4.876 4.120 -0.000 0.000 0.306 471 V C -1.513 174.439 176.094 -0.237 0.000 1.045 471 V CA -0.702 61.515 62.300 -0.138 0.000 0.905 471 V CB 1.878 33.654 31.823 -0.079 0.000 0.997 471 V HN 0.816 nan 8.190 nan 0.000 0.436 472 L N 5.632 126.697 121.223 -0.263 0.000 2.349 472 L HA 0.688 5.028 4.340 -0.000 0.000 0.278 472 L C 0.119 176.816 176.870 -0.288 0.000 0.996 472 L CA 0.272 54.840 54.840 -0.453 0.000 0.825 472 L CB 1.254 42.966 42.059 -0.577 0.000 1.243 472 L HN 0.904 nan 8.230 nan 0.000 0.412 473 N N 4.240 122.770 118.700 -0.283 0.000 2.714 473 N HA -0.208 4.532 4.740 -0.000 0.000 0.252 473 N C 0.904 176.346 175.510 -0.114 0.000 1.014 473 N CA 1.354 54.303 53.050 -0.169 0.000 0.735 473 N CB -1.295 37.120 38.487 -0.122 0.000 0.924 473 N HN 1.267 nan 8.380 nan 0.000 0.540 474 G N -2.628 106.091 108.800 -0.136 0.000 2.160 474 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.251 474 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.251 474 G C -0.116 174.747 174.900 -0.061 0.000 1.008 474 G CA 0.397 45.442 45.100 -0.092 0.000 0.724 474 G HN 0.584 nan 8.290 nan 0.000 0.514 475 V N -0.004 119.861 119.914 -0.081 0.000 2.588 475 V HA 0.458 4.578 4.120 -0.000 0.000 0.304 475 V C 0.371 176.437 176.094 -0.046 0.000 1.042 475 V CA -1.109 61.160 62.300 -0.051 0.000 0.877 475 V CB 2.033 33.823 31.823 -0.055 0.000 0.996 475 V HN 0.364 nan 8.190 nan 0.000 0.425 476 E N 2.786 122.983 120.200 -0.005 0.000 2.166 476 E HA 0.204 4.554 4.350 -0.000 0.000 0.279 476 E C 0.464 177.068 176.600 0.008 0.000 1.095 476 E CA -0.061 56.352 56.400 0.021 0.000 0.888 476 E CB 1.358 31.095 29.700 0.062 0.000 1.041 476 E HN 0.728 nan 8.360 nan 0.000 0.414 477 V N 1.210 121.114 119.914 -0.017 0.000 3.556 477 V HA 0.501 4.621 4.120 -0.000 0.000 0.287 477 V C 0.435 176.530 176.094 0.000 0.000 1.422 477 V CA 0.351 62.638 62.300 -0.022 0.000 1.038 477 V CB 0.758 32.531 31.823 -0.082 0.000 0.850 477 V HN 0.460 nan 8.190 nan 0.000 0.437 478 G N -1.125 107.697 108.800 0.036 0.000 2.746 478 G HA2 0.691 4.651 3.960 -0.000 0.000 0.297 478 G HA3 0.691 4.651 3.960 -0.000 0.000 0.297 478 G C -0.630 174.405 174.900 0.225 0.000 1.426 478 G CA -0.029 45.166 45.100 0.158 0.000 0.989 478 G HN 0.682 nan 8.290 nan 0.000 0.520 479 G N -1.399 107.553 108.800 0.253 0.000 3.015 479 G HA2 1.090 5.050 3.960 -0.000 0.000 0.281 479 G HA3 1.090 5.050 3.960 -0.000 0.000 0.281 479 G C -0.136 174.861 174.900 0.162 0.000 1.386 479 G CA -0.364 44.819 45.100 0.139 0.000 0.959 479 G HN 1.987 nan 8.290 nan 0.000 0.522 480 G N -1.607 107.116 108.800 -0.128 0.000 2.321 480 G HA2 0.613 4.573 3.960 -0.000 0.000 0.339 480 G HA3 0.613 4.573 3.960 -0.000 0.000 0.339 480 G C -0.642 173.727 174.900 -0.885 0.000 1.518 480 G CA 0.599 45.582 45.100 -0.194 0.000 0.994 480 G HN 2.072 nan 8.290 nan 0.000 0.668 481 S N -0.346 115.041 115.700 -0.522 0.000 2.588 481 S HA 0.764 5.233 4.470 -0.000 0.000 0.269 481 S C -0.733 173.780 174.600 -0.145 0.000 1.157 481 S CA -1.152 56.739 58.200 -0.516 0.000 0.824 481 S CB 1.585 64.562 63.200 -0.371 0.000 1.126 481 S HN 1.024 nan 8.310 nan 0.000 0.464 482 I N 2.190 122.712 120.570 -0.079 0.000 2.519 482 I HA 0.407 4.577 4.170 -0.000 0.000 0.287 482 I C 0.685 176.711 176.117 -0.151 0.000 1.047 482 I CA -0.319 60.931 61.300 -0.082 0.000 1.381 482 I CB 0.609 38.580 38.000 -0.049 0.000 1.417 482 I HN 0.691 nan 8.210 nan 0.000 0.540 483 R N 5.657 125.997 120.500 -0.268 0.000 2.782 483 R HA 0.573 4.913 4.340 -0.000 0.000 0.258 483 R C -0.523 175.707 176.300 -0.117 0.000 1.055 483 R CA -1.034 54.928 56.100 -0.231 0.000 1.065 483 R CB 1.237 31.274 30.300 -0.437 0.000 1.172 483 R HN 0.329 nan 8.270 nan 0.000 0.510 484 I N 3.808 124.404 120.570 0.043 0.000 2.452 484 I HA 0.048 4.218 4.170 -0.000 0.000 0.287 484 I C 1.351 177.624 176.117 0.260 0.000 1.079 484 I CA -0.020 61.378 61.300 0.163 0.000 1.387 484 I CB 0.080 38.184 38.000 0.174 0.000 1.404 484 I HN 0.735 nan 8.210 nan 0.000 0.522 485 H N 2.945 122.060 119.070 0.076 0.000 2.827 485 H HA 0.229 4.785 4.556 -0.000 0.000 0.269 485 H C -0.138 175.205 175.328 0.026 0.000 1.031 485 H CA -0.475 55.630 56.048 0.095 0.000 1.202 485 H CB 0.203 30.048 29.762 0.138 0.000 1.511 485 H HN 0.520 nan 8.280 nan 0.000 0.517 486 D N 2.391 122.741 120.400 -0.084 0.000 2.329 486 D HA 0.175 4.815 4.640 -0.000 0.000 0.232 486 D C -1.841 174.438 176.300 -0.036 0.000 1.088 486 D CA -2.170 51.728 54.000 -0.170 0.000 0.835 486 D CB 2.518 43.214 40.800 -0.172 0.000 1.078 486 D HN -0.028 nan 8.370 nan 0.000 0.495 487 P HA -0.128 nan 4.420 nan 0.000 0.216 487 P C 1.287 178.598 177.300 0.018 0.000 1.153 487 P CA 1.181 64.271 63.100 -0.017 0.000 0.858 487 P CB 0.322 31.985 31.700 -0.063 0.000 0.789 488 R N -0.793 119.702 120.500 -0.008 0.000 2.083 488 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 488 R C 2.437 178.757 176.300 0.033 0.000 1.137 488 R CA 1.136 57.240 56.100 0.006 0.000 0.951 488 R CB -1.360 28.933 30.300 -0.013 0.000 0.851 488 R HN 0.237 nan 8.270 nan 0.000 0.434 489 L N 0.933 122.175 121.223 0.032 0.000 1.970 489 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 489 L C 2.671 179.580 176.870 0.066 0.000 1.071 489 L CA 1.684 56.550 54.840 0.043 0.000 0.751 489 L CB -0.341 41.748 42.059 0.051 0.000 0.889 489 L HN 0.183 nan 8.230 nan 0.000 0.432 490 Q N -0.047 119.817 119.800 0.107 0.000 2.173 490 Q HA -0.268 4.072 4.340 -0.000 0.000 0.208 490 Q C 1.922 178.095 176.000 0.288 0.000 0.989 490 Q CA 2.430 58.334 55.803 0.169 0.000 0.872 490 Q CB -0.324 28.594 28.738 0.299 0.000 0.909 490 Q HN 0.591 nan 8.270 nan 0.000 0.420 491 A N 0.327 123.285 122.820 0.229 0.000 1.858 491 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 491 A C 2.195 179.876 177.584 0.162 0.000 1.190 491 A CA 1.619 53.779 52.037 0.205 0.000 0.617 491 A CB -0.678 18.371 19.000 0.081 0.000 0.827 491 A HN 0.405 nan 8.150 nan 0.000 0.443 492 R N -0.394 120.157 120.500 0.084 0.000 2.096 492 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 492 R C 1.953 178.264 176.300 0.018 0.000 1.127 492 R CA 1.650 57.775 56.100 0.042 0.000 0.968 492 R CB -0.367 29.943 30.300 0.017 0.000 0.861 492 R HN 0.394 nan 8.270 nan 0.000 0.440 493 V N 0.197 120.102 119.914 -0.014 0.000 2.515 493 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 493 V C 1.859 177.851 176.094 -0.170 0.000 1.058 493 V CA 1.515 63.739 62.300 -0.127 0.000 1.064 493 V CB -0.539 31.151 31.823 -0.221 0.000 0.675 493 V HN 0.223 nan 8.190 nan 0.000 0.461 494 F N 0.103 119.995 119.950 -0.097 0.000 2.234 494 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 494 F C 2.609 178.369 175.800 -0.067 0.000 1.087 494 F CA 1.337 59.273 58.000 -0.106 0.000 1.340 494 F CB -0.217 38.736 39.000 -0.078 0.000 1.031 494 F HN -0.058 nan 8.300 nan 0.000 0.500 495 R N -0.160 120.419 120.500 0.132 0.000 2.081 495 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 495 R C 2.080 178.410 176.300 0.050 0.000 1.131 495 R CA 0.960 57.106 56.100 0.077 0.000 0.960 495 R CB -0.318 30.014 30.300 0.053 0.000 0.856 495 R HN 0.214 nan 8.270 nan 0.000 0.436 496 L N 0.485 121.716 121.223 0.013 0.000 2.093 496 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 496 L C 1.760 178.658 176.870 0.047 0.000 1.085 496 L CA 1.496 56.345 54.840 0.015 0.000 0.755 496 L CB -0.649 41.362 42.059 -0.079 0.000 0.904 496 L HN 0.264 nan 8.230 nan 0.000 0.435 497 L N 0.041 121.260 121.223 -0.006 0.000 2.682 497 L HA 0.110 4.450 4.340 -0.000 0.000 0.240 497 L C 1.197 178.084 176.870 0.029 0.000 1.178 497 L CA 0.106 54.943 54.840 -0.005 0.000 0.970 497 L CB -0.981 40.991 42.059 -0.144 0.000 1.179 497 L HN 0.443 nan 8.230 nan 0.000 0.435 498 G N 1.334 110.162 108.800 0.047 0.000 2.416 498 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.301 498 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.301 498 G C 0.204 175.138 174.900 0.056 0.000 0.985 498 G CA 0.269 45.396 45.100 0.045 0.000 0.934 498 G HN 0.446 nan 8.290 nan 0.000 0.513 499 I N 0.851 121.482 120.570 0.103 0.000 2.321 499 I HA 0.498 4.668 4.170 -0.000 0.000 0.291 499 I C 1.202 177.358 176.117 0.065 0.000 0.998 499 I CA -0.327 61.056 61.300 0.137 0.000 1.227 499 I CB 1.417 39.635 38.000 0.363 0.000 1.368 499 I HN 0.150 nan 8.210 nan 0.000 0.466 500 G N 4.042 112.843 108.800 0.002 0.000 2.535 500 G HA2 0.212 4.172 3.960 -0.000 0.000 0.303 500 G HA3 0.212 4.172 3.960 -0.000 0.000 0.303 500 G C 0.643 175.477 174.900 -0.111 0.000 1.237 500 G CA -0.271 44.801 45.100 -0.046 0.000 0.986 500 G HN 0.625 nan 8.290 nan 0.000 0.494 501 E N -0.370 119.766 120.200 -0.106 0.000 2.153 501 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 501 E C 1.974 178.516 176.600 -0.098 0.000 0.988 501 E CA 0.941 57.267 56.400 -0.123 0.000 0.811 501 E CB 0.018 29.667 29.700 -0.086 0.000 0.746 501 E HN 0.614 nan 8.360 nan 0.000 0.466 502 E N 1.789 121.947 120.200 -0.070 0.000 1.997 502 E HA -0.219 4.131 4.350 -0.000 0.000 0.201 502 E C 1.960 178.518 176.600 -0.069 0.000 1.011 502 E CA 2.054 58.421 56.400 -0.055 0.000 0.847 502 E CB -0.175 29.502 29.700 -0.039 0.000 0.787 502 E HN 0.424 nan 8.360 nan 0.000 0.472 503 E N 0.199 120.359 120.200 -0.067 0.000 2.118 503 E HA -0.307 4.043 4.350 -0.000 0.000 0.195 503 E C 2.296 178.823 176.600 -0.122 0.000 0.992 503 E CA 1.234 57.584 56.400 -0.084 0.000 0.804 503 E CB -0.346 29.326 29.700 -0.046 0.000 0.741 503 E HN 0.350 nan 8.360 nan 0.000 0.458 504 Q N 0.708 120.434 119.800 -0.123 0.000 2.002 504 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 504 Q C 2.255 178.196 176.000 -0.098 0.000 0.988 504 Q CA 1.904 57.611 55.803 -0.159 0.000 0.843 504 Q CB 0.084 28.558 28.738 -0.440 0.000 0.908 504 Q HN 0.074 nan 8.270 nan 0.000 0.420 505 R N 0.711 121.149 120.500 -0.104 0.000 2.080 505 R HA -0.118 4.222 4.340 -0.000 0.000 0.236 505 R C 1.955 178.212 176.300 -0.071 0.000 1.137 505 R CA 1.572 57.634 56.100 -0.063 0.000 0.943 505 R CB -0.860 29.412 30.300 -0.047 0.000 0.846 505 R HN 0.405 nan 8.270 nan 0.000 0.431 506 E N 0.224 120.371 120.200 -0.087 0.000 2.463 506 E HA -0.130 4.220 4.350 -0.000 0.000 0.201 506 E C 1.160 177.660 176.600 -0.165 0.000 1.045 506 E CA 0.755 57.104 56.400 -0.086 0.000 0.872 506 E CB 0.247 29.905 29.700 -0.071 0.000 0.797 506 E HN 0.192 nan 8.360 nan 0.000 0.538 507 K N -1.092 119.110 120.400 -0.330 0.000 2.380 507 K HA 0.076 4.396 4.320 -0.000 0.000 0.200 507 K C 0.602 176.730 176.600 -0.787 0.000 1.201 507 K CA 0.259 56.154 56.287 -0.653 0.000 0.916 507 K CB 0.573 32.441 32.500 -1.053 0.000 1.187 507 K HN 0.011 nan 8.250 nan 0.000 0.498 508 F N 0.114 120.032 119.950 -0.053 0.000 2.735 508 F HA 0.274 4.801 4.527 -0.000 0.000 0.308 508 F C 1.538 177.187 175.800 -0.253 0.000 1.112 508 F CA -0.423 57.537 58.000 -0.068 0.000 1.235 508 F CB -0.162 39.042 39.000 0.340 0.000 1.027 508 F HN -0.001 nan 8.300 nan 0.000 0.528 509 G N 2.426 111.138 108.800 -0.148 0.000 2.896 509 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.225 509 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.225 509 G C 1.598 176.451 174.900 -0.079 0.000 1.265 509 G CA 1.918 46.977 45.100 -0.069 0.000 0.778 509 G HN 0.453 nan 8.290 nan 0.000 0.714 510 F N -0.737 119.285 119.950 0.120 0.000 2.236 510 F HA 0.022 4.549 4.527 -0.000 0.000 0.302 510 F C 2.180 178.046 175.800 0.110 0.000 1.073 510 F CA 1.420 59.477 58.000 0.096 0.000 1.336 510 F CB -0.829 38.216 39.000 0.075 0.000 1.040 510 F HN 0.129 nan 8.300 nan 0.000 0.507 511 F N 1.227 120.960 119.950 -0.363 0.000 2.187 511 F HA 0.031 4.558 4.527 -0.000 0.000 0.295 511 F C 1.981 177.729 175.800 -0.086 0.000 1.091 511 F CA 0.940 58.838 58.000 -0.171 0.000 1.308 511 F CB -0.326 38.513 39.000 -0.268 0.000 1.030 511 F HN -0.152 nan 8.300 nan 0.000 0.487 512 L N 0.645 121.795 121.223 -0.121 0.000 2.131 512 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 512 L C 2.340 179.108 176.870 -0.169 0.000 1.092 512 L CA 1.813 56.574 54.840 -0.131 0.000 0.759 512 L CB -1.912 40.161 42.059 0.024 0.000 0.903 512 L HN 0.263 nan 8.230 nan 0.000 0.435 513 E N 0.967 121.118 120.200 -0.083 0.000 2.012 513 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 513 E C 2.208 178.842 176.600 0.056 0.000 1.007 513 E CA 1.958 58.370 56.400 0.020 0.000 0.816 513 E CB -0.392 29.372 29.700 0.106 0.000 0.762 513 E HN 0.283 nan 8.360 nan 0.000 0.451 514 A N 0.646 123.453 122.820 -0.023 0.000 1.958 514 A HA -0.196 4.124 4.320 -0.000 0.000 0.221 514 A C 2.438 179.969 177.584 -0.088 0.000 1.178 514 A CA 1.745 53.773 52.037 -0.015 0.000 0.642 514 A CB -1.055 17.833 19.000 -0.187 0.000 0.816 514 A HN 0.422 nan 8.150 nan 0.000 0.453 515 L N -1.119 119.901 121.223 -0.340 0.000 2.447 515 L HA -0.194 4.146 4.340 -0.000 0.000 0.225 515 L C 2.228 179.002 176.870 -0.159 0.000 1.148 515 L CA 1.382 56.048 54.840 -0.291 0.000 0.808 515 L CB -0.229 41.632 42.059 -0.330 0.000 0.928 515 L HN 0.466 nan 8.230 nan 0.000 0.448 516 E N -1.669 118.447 120.200 -0.139 0.000 2.442 516 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 516 E C 0.568 176.944 176.600 -0.374 0.000 1.030 516 E CA 0.360 56.591 56.400 -0.281 0.000 0.869 516 E CB 0.272 29.718 29.700 -0.424 0.000 0.857 516 E HN 0.477 nan 8.360 nan 0.000 0.505 517 Y N -0.571 119.669 120.300 -0.099 0.000 2.571 517 Y HA 0.357 4.907 4.550 -0.000 0.000 0.275 517 Y C 0.711 176.571 175.900 -0.066 0.000 1.179 517 Y CA 0.023 58.080 58.100 -0.072 0.000 1.242 517 Y CB 1.098 39.520 38.460 -0.064 0.000 1.126 517 Y HN -0.029 nan 8.280 nan 0.000 0.524 518 G N 0.740 109.552 108.800 0.020 0.000 2.970 518 G HA2 0.063 4.023 3.960 -0.000 0.000 0.249 518 G HA3 0.063 4.023 3.960 -0.000 0.000 0.249 518 G C -0.292 174.610 174.900 0.002 0.000 1.113 518 G CA -0.407 44.698 45.100 0.008 0.000 1.119 518 G HN 0.583 nan 8.290 nan 0.000 0.552 519 A N 2.586 125.390 122.820 -0.026 0.000 2.328 519 A HA 0.878 5.198 4.320 -0.000 0.000 0.284 519 A C -0.937 176.685 177.584 0.064 0.000 1.160 519 A CA -1.049 50.965 52.037 -0.038 0.000 0.818 519 A CB 0.841 19.812 19.000 -0.048 0.000 1.087 519 A HN 0.465 nan 8.150 nan 0.000 0.504 520 P HA 0.322 nan 4.420 nan 0.000 0.276 520 P C -2.924 174.420 177.300 0.072 0.000 1.261 520 P CA -1.811 61.298 63.100 0.015 0.000 0.800 520 P CB 0.350 31.783 31.700 -0.445 0.000 1.066 521 P HA 0.092 nan 4.420 nan 0.000 0.276 521 P C -0.417 176.766 177.300 -0.196 0.000 1.243 521 P CA 0.921 63.746 63.100 -0.458 0.000 0.768 521 P CB 0.198 31.692 31.700 -0.344 0.000 0.856 522 H N 1.097 119.983 119.070 -0.306 0.000 2.947 522 H HA 0.823 5.379 4.556 -0.000 0.000 0.290 522 H C -0.630 174.639 175.328 -0.098 0.000 1.430 522 H CA -0.976 54.956 56.048 -0.193 0.000 1.189 522 H CB 1.376 31.034 29.762 -0.174 0.000 1.875 522 H HN 0.696 nan 8.280 nan 0.000 0.568 523 G N -1.836 106.873 108.800 -0.153 0.000 2.352 523 G HA2 0.485 4.445 3.960 -0.000 0.000 0.305 523 G HA3 0.485 4.445 3.960 -0.000 0.000 0.305 523 G C -0.911 174.025 174.900 0.060 0.000 1.537 523 G CA 0.125 45.145 45.100 -0.132 0.000 0.959 523 G HN 1.088 nan 8.290 nan 0.000 0.668 524 G N -1.027 107.841 108.800 0.114 0.000 3.111 524 G HA2 0.892 4.852 3.960 -0.000 0.000 0.158 524 G HA3 0.892 4.852 3.960 -0.000 0.000 0.158 524 G C -1.045 174.016 174.900 0.268 0.000 1.161 524 G CA 0.217 45.436 45.100 0.197 0.000 1.025 524 G HN 1.807 nan 8.290 nan 0.000 0.619 525 I N -0.881 119.838 120.570 0.248 0.000 2.763 525 I HA 0.597 4.767 4.170 -0.000 0.000 0.292 525 I C -1.633 174.636 176.117 0.254 0.000 1.610 525 I CA -0.902 60.590 61.300 0.320 0.000 1.002 525 I CB 1.871 40.157 38.000 0.477 0.000 1.416 525 I HN 0.982 nan 8.210 nan 0.000 0.479 526 A N 5.268 128.265 122.820 0.295 0.000 2.365 526 A HA 0.824 5.144 4.320 -0.000 0.000 0.318 526 A C -2.167 175.705 177.584 0.480 0.000 1.091 526 A CA -0.307 51.893 52.037 0.272 0.000 0.763 526 A CB 1.016 20.141 19.000 0.209 0.000 1.248 526 A HN 0.579 nan 8.150 nan 0.000 0.442 527 W N 0.943 122.315 121.300 0.120 0.000 2.529 527 W HA 0.562 5.222 4.660 -0.000 0.000 0.321 527 W C 0.582 177.181 176.519 0.134 0.000 1.047 527 W CA -1.245 56.171 57.345 0.118 0.000 1.216 527 W CB 1.755 31.269 29.460 0.089 0.000 1.357 527 W HN 0.917 nan 8.180 nan 0.000 0.489 528 G N 3.601 112.606 108.800 0.342 0.000 2.741 528 G HA2 0.225 4.185 3.960 -0.000 0.000 0.301 528 G HA3 0.225 4.185 3.960 -0.000 0.000 0.301 528 G C 0.785 175.841 174.900 0.259 0.000 0.834 528 G CA -0.361 44.915 45.100 0.294 0.000 1.683 528 G HN 0.542 nan 8.290 nan 0.000 0.506 529 L N 1.929 123.326 121.223 0.289 0.000 2.051 529 L HA -0.152 4.188 4.340 -0.000 0.000 0.214 529 L C 2.303 179.272 176.870 0.165 0.000 1.076 529 L CA 1.918 56.903 54.840 0.242 0.000 0.758 529 L CB -0.111 42.076 42.059 0.213 0.000 0.890 529 L HN 0.471 nan 8.230 nan 0.000 0.433 530 D N -1.038 119.459 120.400 0.162 0.000 2.103 530 D HA -0.264 4.376 4.640 -0.000 0.000 0.190 530 D C 2.247 178.587 176.300 0.067 0.000 0.997 530 D CA 1.503 55.569 54.000 0.110 0.000 0.833 530 D CB -0.165 40.708 40.800 0.122 0.000 0.961 530 D HN 0.175 nan 8.370 nan 0.000 0.447 531 R N 1.032 121.566 120.500 0.056 0.000 2.096 531 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 531 R C 2.232 178.545 176.300 0.021 0.000 1.127 531 R CA 0.444 56.558 56.100 0.023 0.000 0.968 531 R CB -0.792 29.511 30.300 0.005 0.000 0.861 531 R HN 0.163 nan 8.270 nan 0.000 0.440 532 L N 0.146 121.394 121.223 0.043 0.000 2.083 532 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 532 L C 1.641 178.512 176.870 0.001 0.000 1.083 532 L CA 1.831 56.687 54.840 0.026 0.000 0.752 532 L CB -0.591 41.507 42.059 0.066 0.000 0.899 532 L HN 0.356 nan 8.230 nan 0.000 0.433 533 L N -0.284 120.949 121.223 0.017 0.000 2.095 533 L HA -0.074 4.266 4.340 -0.000 0.000 0.204 533 L C 2.862 179.724 176.870 -0.013 0.000 1.080 533 L CA 0.869 55.702 54.840 -0.012 0.000 0.759 533 L CB -0.622 41.444 42.059 0.012 0.000 0.914 533 L HN 0.282 nan 8.230 nan 0.000 0.439 534 A N 0.531 123.352 122.820 0.002 0.000 1.873 534 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 534 A C 2.205 179.796 177.584 0.011 0.000 1.193 534 A CA 1.655 53.692 52.037 -0.000 0.000 0.629 534 A CB -0.815 18.185 19.000 -0.001 0.000 0.826 534 A HN 0.359 nan 8.150 nan 0.000 0.447 535 L N -1.406 119.828 121.223 0.019 0.000 2.046 535 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 535 L C 2.840 179.800 176.870 0.150 0.000 1.077 535 L CA 1.748 56.628 54.840 0.067 0.000 0.747 535 L CB -0.730 41.353 42.059 0.040 0.000 0.896 535 L HN 0.447 nan 8.230 nan 0.000 0.432 536 M N -1.190 118.418 119.600 0.014 0.000 2.229 536 M HA -0.151 4.329 4.480 -0.000 0.000 0.264 536 M C 2.200 178.542 176.300 0.070 0.000 1.063 536 M CA 1.583 56.845 55.300 -0.063 0.000 1.114 536 M CB -0.541 31.846 32.600 -0.355 0.000 1.387 536 M HN 0.127 nan 8.290 nan 0.000 0.420 537 T N -0.787 113.781 114.554 0.023 0.000 3.014 537 T HA 0.115 4.465 4.350 -0.000 0.000 0.263 537 T C 1.414 176.128 174.700 0.023 0.000 1.078 537 T CA 1.493 63.599 62.100 0.010 0.000 1.135 537 T CB -0.087 68.769 68.868 -0.021 0.000 0.895 537 T HN 0.714 nan 8.240 nan 0.000 0.480 538 G N 0.699 109.523 108.800 0.040 0.000 2.213 538 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.236 538 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.236 538 G C 0.396 175.287 174.900 -0.014 0.000 0.991 538 G CA 0.282 45.389 45.100 0.012 0.000 0.629 538 G HN 0.575 nan 8.290 nan 0.000 0.517 539 S N 2.154 117.843 115.700 -0.017 0.000 2.558 539 S HA 0.377 4.847 4.470 -0.000 0.000 0.288 539 S C -0.282 174.303 174.600 -0.024 0.000 1.318 539 S CA 0.183 58.365 58.200 -0.029 0.000 1.056 539 S CB 1.547 64.728 63.200 -0.032 0.000 0.853 539 S HN 0.413 nan 8.310 nan 0.000 0.505 540 P HA 0.101 nan 4.420 nan 0.000 0.245 540 P C 0.120 177.407 177.300 -0.023 0.000 1.203 540 P CA 0.316 63.400 63.100 -0.027 0.000 0.792 540 P CB 0.408 32.089 31.700 -0.032 0.000 0.997 541 S N -0.182 115.503 115.700 -0.024 0.000 2.599 541 S HA 0.456 4.926 4.470 -0.000 0.000 0.294 541 S C 1.038 175.629 174.600 -0.015 0.000 1.094 541 S CA -0.855 57.333 58.200 -0.019 0.000 0.931 541 S CB 0.874 64.061 63.200 -0.022 0.000 1.093 541 S HN -0.016 nan 8.310 nan 0.000 0.488 542 I N 1.262 121.828 120.570 -0.007 0.000 3.111 542 I HA 0.144 4.314 4.170 -0.000 0.000 0.272 542 I C 1.988 178.108 176.117 0.004 0.000 1.268 542 I CA 0.298 61.600 61.300 0.004 0.000 1.467 542 I CB -0.252 37.757 38.000 0.015 0.000 1.087 542 I HN 0.491 nan 8.210 nan 0.000 0.467 543 R N 1.338 121.836 120.500 -0.004 0.000 2.152 543 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 543 R C 1.604 177.887 176.300 -0.029 0.000 1.117 543 R CA 1.007 57.102 56.100 -0.009 0.000 0.981 543 R CB -0.310 29.983 30.300 -0.013 0.000 0.870 543 R HN 0.442 nan 8.270 nan 0.000 0.451 544 E N 0.572 120.751 120.200 -0.036 0.000 2.478 544 E HA -0.064 4.286 4.350 -0.000 0.000 0.198 544 E C 1.119 177.691 176.600 -0.047 0.000 1.046 544 E CA 0.788 57.156 56.400 -0.053 0.000 0.870 544 E CB 0.373 30.040 29.700 -0.055 0.000 0.818 544 E HN 0.268 nan 8.360 nan 0.000 0.527 545 V N -1.598 118.300 119.914 -0.026 0.000 2.854 545 V HA 0.446 4.566 4.120 -0.000 0.000 0.366 545 V C 0.194 176.292 176.094 0.005 0.000 1.322 545 V CA -0.370 61.922 62.300 -0.013 0.000 1.243 545 V CB -0.349 31.474 31.823 -0.000 0.000 1.337 545 V HN -0.068 nan 8.190 nan 0.000 0.585 546 I N 1.101 121.665 120.570 -0.010 0.000 2.563 546 I HA 0.562 4.732 4.170 -0.000 0.000 0.281 546 I C 1.530 177.625 176.117 -0.037 0.000 1.110 546 I CA -0.292 61.017 61.300 0.014 0.000 1.073 546 I CB 1.823 39.847 38.000 0.040 0.000 1.215 546 I HN 0.172 nan 8.210 nan 0.000 0.460 547 A N 5.806 128.594 122.820 -0.054 0.000 1.935 547 A HA -0.225 4.095 4.320 -0.000 0.000 0.224 547 A C 0.758 177.990 177.584 -0.587 0.000 1.324 547 A CA 2.251 54.131 52.037 -0.262 0.000 0.686 547 A CB -0.413 18.557 19.000 -0.051 0.000 0.837 547 A HN 0.599 nan 8.150 nan 0.000 0.481 548 F N 0.172 120.150 119.950 0.047 0.000 2.646 548 F HA 0.318 4.845 4.527 -0.000 0.000 0.336 548 F C -2.098 173.723 175.800 0.035 0.000 1.437 548 F CA -2.147 55.881 58.000 0.046 0.000 1.142 548 F CB 0.990 40.022 39.000 0.053 0.000 1.530 548 F HN 0.098 nan 8.300 nan 0.000 0.591 549 P HA 0.155 nan 4.420 nan 0.000 0.274 549 P C -0.430 176.927 177.300 0.095 0.000 1.260 549 P CA -0.354 62.802 63.100 0.093 0.000 0.793 549 P CB 1.380 33.109 31.700 0.047 0.000 1.048 550 K N 0.612 121.055 120.400 0.072 0.000 2.106 550 K HA 0.247 4.567 4.320 -0.000 0.000 0.246 550 K C 0.592 177.222 176.600 0.051 0.000 0.987 550 K CA -0.546 55.779 56.287 0.064 0.000 0.904 550 K CB 0.631 33.166 32.500 0.058 0.000 1.071 550 K HN 0.550 nan 8.250 nan 0.000 0.453 551 N N -0.009 118.718 118.700 0.046 0.000 2.347 551 N HA 0.015 4.755 4.740 -0.000 0.000 0.253 551 N C 0.477 176.010 175.510 0.038 0.000 1.274 551 N CA -0.073 52.998 53.050 0.036 0.000 0.941 551 N CB 0.428 38.934 38.487 0.033 0.000 1.200 551 N HN 0.319 nan 8.380 nan 0.000 0.514 552 K N -0.539 119.879 120.400 0.030 0.000 2.189 552 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 552 K C 0.623 177.248 176.600 0.041 0.000 1.046 552 K CA 1.871 58.177 56.287 0.030 0.000 0.928 552 K CB -0.164 32.349 32.500 0.022 0.000 0.720 552 K HN 0.649 nan 8.250 nan 0.000 0.458 553 E N -0.886 119.341 120.200 0.044 0.000 2.437 553 E HA 0.089 4.439 4.350 -0.000 0.000 0.189 553 E C 0.659 177.301 176.600 0.070 0.000 1.054 553 E CA 0.237 56.669 56.400 0.054 0.000 0.874 553 E CB 0.602 30.330 29.700 0.047 0.000 1.011 553 E HN 0.435 nan 8.360 nan 0.000 0.474 554 G N 2.203 111.045 108.800 0.069 0.000 2.155 554 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.257 554 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.257 554 G C 0.155 175.092 174.900 0.063 0.000 0.983 554 G CA 0.331 45.477 45.100 0.078 0.000 0.676 554 G HN 0.153 nan 8.290 nan 0.000 0.528 555 K N 0.160 120.592 120.400 0.054 0.000 2.098 555 K HA 0.422 4.742 4.320 -0.000 0.000 0.257 555 K C -0.819 175.807 176.600 0.044 0.000 0.999 555 K CA -0.588 55.727 56.287 0.046 0.000 0.924 555 K CB 1.083 33.608 32.500 0.042 0.000 1.028 555 K HN 0.115 nan 8.250 nan 0.000 0.466 556 D N 2.610 123.034 120.400 0.040 0.000 2.477 556 D HA 0.210 4.850 4.640 -0.000 0.000 0.239 556 D C -2.042 174.281 176.300 0.038 0.000 1.102 556 D CA -2.539 51.489 54.000 0.046 0.000 0.901 556 D CB 1.344 42.170 40.800 0.042 0.000 1.026 556 D HN 0.050 nan 8.370 nan 0.000 0.515 557 P HA -0.186 nan 4.420 nan 0.000 0.213 557 P C 1.691 178.995 177.300 0.006 0.000 1.170 557 P CA 0.525 63.636 63.100 0.018 0.000 0.902 557 P CB 0.172 31.882 31.700 0.017 0.000 0.789 558 L N -1.261 119.980 121.223 0.030 0.000 2.051 558 L HA -0.180 4.160 4.340 -0.000 0.000 0.214 558 L C 2.082 178.975 176.870 0.038 0.000 1.076 558 L CA 2.364 57.231 54.840 0.046 0.000 0.758 558 L CB -1.613 40.540 42.059 0.157 0.000 0.890 558 L HN -0.024 nan 8.230 nan 0.000 0.433 559 T N -1.415 113.157 114.554 0.031 0.000 3.015 559 T HA 0.308 4.658 4.350 -0.000 0.000 0.250 559 T C 0.957 175.659 174.700 0.004 0.000 1.057 559 T CA 0.585 62.689 62.100 0.008 0.000 1.066 559 T CB -0.034 68.828 68.868 -0.011 0.000 0.959 559 T HN 0.733 nan 8.240 nan 0.000 0.488 560 G N 1.388 110.194 108.800 0.010 0.000 2.203 560 G HA2 0.086 4.046 3.960 -0.000 0.000 0.231 560 G HA3 0.086 4.046 3.960 -0.000 0.000 0.231 560 G C -0.049 174.858 174.900 0.013 0.000 1.058 560 G CA -0.028 45.078 45.100 0.011 0.000 0.781 560 G HN 0.848 nan 8.290 nan 0.000 0.496 561 A N 0.252 123.081 122.820 0.015 0.000 2.401 561 A HA 0.993 5.313 4.320 -0.000 0.000 0.310 561 A C -1.655 175.944 177.584 0.025 0.000 1.075 561 A CA -1.292 50.755 52.037 0.016 0.000 0.746 561 A CB 2.306 21.310 19.000 0.007 0.000 1.277 561 A HN 0.225 nan 8.150 nan 0.000 0.425 562 P HA 0.295 nan 4.420 nan 0.000 0.274 562 P C -0.034 177.283 177.300 0.029 0.000 1.264 562 P CA 0.268 63.386 63.100 0.031 0.000 0.795 562 P CB 0.926 32.654 31.700 0.048 0.000 1.064 563 S N -1.376 114.341 115.700 0.028 0.000 2.672 563 S HA 0.730 5.200 4.470 -0.000 0.000 0.271 563 S C -2.979 171.637 174.600 0.027 0.000 1.171 563 S CA -0.848 57.367 58.200 0.025 0.000 0.817 563 S CB 0.059 63.269 63.200 0.017 0.000 1.150 563 S HN 0.300 nan 8.310 nan 0.000 0.478 564 P HA 0.744 nan 4.420 nan 0.000 0.280 564 P C -0.994 176.318 177.300 0.021 0.000 1.272 564 P CA -0.693 62.422 63.100 0.024 0.000 0.819 564 P CB 0.921 32.634 31.700 0.022 0.000 1.122 565 V N -3.481 116.446 119.914 0.021 0.000 3.141 565 V HA 0.672 4.792 4.120 -0.000 0.000 0.312 565 V C -2.663 173.440 176.094 0.014 0.000 1.157 565 V CA -2.500 59.810 62.300 0.016 0.000 1.041 565 V CB 0.450 32.284 31.823 0.019 0.000 1.071 565 V HN 0.355 nan 8.190 nan 0.000 0.441 566 P HA 0.189 nan 4.420 nan 0.000 0.269 566 P C 0.715 178.021 177.300 0.010 0.000 1.209 566 P CA 0.063 63.168 63.100 0.008 0.000 0.776 566 P CB 0.461 32.163 31.700 0.004 0.000 0.876 567 E N 0.992 121.197 120.200 0.010 0.000 2.118 567 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 567 E C 1.161 177.766 176.600 0.008 0.000 0.992 567 E CA 1.245 57.651 56.400 0.011 0.000 0.804 567 E CB -0.330 29.376 29.700 0.010 0.000 0.741 567 E HN 0.320 nan 8.360 nan 0.000 0.458 568 E N 0.484 120.687 120.200 0.004 0.000 2.358 568 E HA -0.085 4.265 4.350 -0.000 0.000 0.195 568 E C 1.859 178.457 176.600 -0.003 0.000 1.010 568 E CA 0.578 56.979 56.400 0.000 0.000 0.856 568 E CB 0.032 29.731 29.700 -0.002 0.000 0.795 568 E HN 0.387 nan 8.360 nan 0.000 0.504 569 Q N -0.297 119.502 119.800 -0.001 0.000 2.230 569 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 569 Q C 1.886 177.886 176.000 -0.001 0.000 0.963 569 Q CA 0.622 56.423 55.803 -0.004 0.000 0.866 569 Q CB 0.111 28.849 28.738 -0.001 0.000 0.931 569 Q HN 0.350 nan 8.270 nan 0.000 0.452 570 L N 0.152 121.380 121.223 0.008 0.000 2.162 570 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 570 L C 2.640 179.516 176.870 0.010 0.000 1.086 570 L CA 0.706 55.557 54.840 0.018 0.000 0.778 570 L CB -0.272 41.803 42.059 0.028 0.000 0.928 570 L HN 0.209 nan 8.230 nan 0.000 0.446 571 R N 0.388 120.890 120.500 0.005 0.000 2.081 571 R HA -0.268 4.072 4.340 -0.000 0.000 0.235 571 R C 2.042 178.334 176.300 -0.014 0.000 1.131 571 R CA 1.942 58.042 56.100 -0.001 0.000 0.960 571 R CB -0.236 30.064 30.300 -0.001 0.000 0.856 571 R HN 0.376 nan 8.270 nan 0.000 0.436 572 E N 0.284 120.471 120.200 -0.021 0.000 2.273 572 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 572 E C 1.618 178.183 176.600 -0.059 0.000 1.002 572 E CA 1.083 57.460 56.400 -0.039 0.000 0.828 572 E CB 0.003 29.678 29.700 -0.041 0.000 0.747 572 E HN 0.435 nan 8.360 nan 0.000 0.491 573 L N -1.061 120.136 121.223 -0.044 0.000 2.529 573 L HA 0.184 4.524 4.340 -0.000 0.000 0.223 573 L C 1.317 178.159 176.870 -0.047 0.000 1.113 573 L CA 0.367 55.175 54.840 -0.054 0.000 0.861 573 L CB 0.363 42.414 42.059 -0.014 0.000 1.012 573 L HN 0.340 nan 8.230 nan 0.000 0.461 574 G N 0.883 109.667 108.800 -0.026 0.000 2.182 574 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.248 574 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.248 574 G C -0.133 174.770 174.900 0.005 0.000 1.042 574 G CA 0.084 45.173 45.100 -0.018 0.000 0.775 574 G HN 0.211 nan 8.290 nan 0.000 0.501 575 L N -1.305 119.934 121.223 0.027 0.000 2.257 575 L HA 0.941 5.281 4.340 -0.000 0.000 0.257 575 L C 0.175 177.073 176.870 0.047 0.000 1.033 575 L CA -1.303 53.571 54.840 0.057 0.000 0.835 575 L CB 2.306 44.426 42.059 0.102 0.000 1.398 575 L HN 0.278 nan 8.230 nan 0.000 0.429 576 M N 0.616 120.248 119.600 0.053 0.000 2.322 576 M HA 0.374 4.854 4.480 -0.000 0.000 0.286 576 M C -1.584 174.742 176.300 0.044 0.000 1.111 576 M CA -0.636 54.688 55.300 0.041 0.000 0.941 576 M CB 2.099 34.719 32.600 0.033 0.000 1.671 576 M HN 0.185 nan 8.290 nan 0.000 0.470 577 V N 5.532 125.469 119.914 0.038 0.000 2.390 577 V HA 0.205 4.325 4.120 -0.000 0.000 0.260 577 V C -0.081 176.032 176.094 0.031 0.000 1.043 577 V CA -0.352 61.971 62.300 0.037 0.000 1.047 577 V CB -0.405 31.438 31.823 0.033 0.000 1.066 577 V HN 0.581 nan 8.190 nan 0.000 0.481 578 V N 4.008 123.941 119.914 0.032 0.000 2.513 578 V HA 0.858 4.978 4.120 -0.000 0.000 0.299 578 V C 0.172 176.280 176.094 0.024 0.000 1.035 578 V CA -0.443 61.873 62.300 0.027 0.000 0.889 578 V CB 2.186 34.026 31.823 0.028 0.000 0.988 578 V HN 0.699 nan 8.190 nan 0.000 0.440 579 R N 2.079 122.592 120.500 0.021 0.000 4.561 579 R HA 0.287 4.627 4.340 -0.000 0.000 0.041 579 R C -1.641 174.669 176.300 0.016 0.000 0.784 579 R CA 0.596 56.707 56.100 0.018 0.000 2.141 579 R CB -1.811 28.500 30.300 0.019 0.000 1.281 579 R HN 0.872 nan 8.270 nan 0.000 0.448 580 P HA 0.000 nan 4.420 nan 0.000 0.216 580 P CA 0.000 63.108 63.100 0.014 0.000 0.800 580 P CB 0.000 31.708 31.700 0.014 0.000 0.726