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 1kra_1_C DATA FIRST_RESID 2 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLKIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVCHH LDPDIAEDVA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.616 174.600 0.026 0.000 1.055 2 S CA 0.000 58.220 58.200 0.033 0.000 1.107 2 S CB 0.000 63.222 63.200 0.036 0.000 0.593 3 N N 0.093 118.810 118.700 0.029 0.000 2.308 3 N HA 0.699 5.439 4.740 -0.000 0.000 0.283 3 N C -2.082 173.449 175.510 0.035 0.000 1.105 3 N CA -0.286 52.773 53.050 0.015 0.000 0.840 3 N CB 2.720 41.209 38.487 0.003 0.000 1.633 3 N HN 0.685 nan 8.380 nan 0.000 0.476 4 I N 1.127 121.718 120.570 0.034 0.000 2.722 4 I HA 0.274 4.444 4.170 -0.000 0.000 0.295 4 I C -0.057 176.093 176.117 0.054 0.000 1.161 4 I CA -0.452 60.896 61.300 0.079 0.000 1.032 4 I CB 1.880 39.987 38.000 0.177 0.000 1.244 4 I HN 0.594 nan 8.210 nan 0.000 0.421 5 S N 6.158 121.895 115.700 0.061 0.000 2.576 5 S HA 0.312 4.782 4.470 -0.000 0.000 0.276 5 S C 1.045 175.694 174.600 0.081 0.000 1.339 5 S CA -0.412 57.813 58.200 0.043 0.000 1.039 5 S CB 1.479 64.702 63.200 0.039 0.000 0.902 5 S HN 0.817 nan 8.310 nan 0.000 0.516 6 R N 0.619 121.142 120.500 0.038 0.000 2.105 6 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 6 R C 2.401 178.789 176.300 0.146 0.000 1.135 6 R CA 1.791 57.931 56.100 0.067 0.000 0.967 6 R CB -0.459 29.842 30.300 0.001 0.000 0.861 6 R HN 0.807 nan 8.270 nan 0.000 0.442 7 Q N 0.707 120.566 119.800 0.099 0.000 2.050 7 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 7 Q C 1.854 177.915 176.000 0.102 0.000 0.980 7 Q CA 2.178 58.036 55.803 0.092 0.000 0.840 7 Q CB -0.284 28.489 28.738 0.058 0.000 0.898 7 Q HN 0.321 nan 8.270 nan 0.000 0.424 8 A N -0.934 121.947 122.820 0.102 0.000 2.014 8 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 8 A C 1.962 179.611 177.584 0.107 0.000 1.163 8 A CA 1.186 53.269 52.037 0.078 0.000 0.652 8 A CB -0.894 18.148 19.000 0.069 0.000 0.808 8 A HN 0.606 nan 8.150 nan 0.000 0.449 9 Y N 0.590 120.950 120.300 0.099 0.000 2.163 9 Y HA -0.077 4.473 4.550 -0.000 0.000 0.288 9 Y C 2.615 178.644 175.900 0.214 0.000 1.136 9 Y CA 1.401 59.626 58.100 0.207 0.000 1.147 9 Y CB -0.427 38.117 38.460 0.141 0.000 0.987 9 Y HN 0.294 nan 8.280 nan 0.000 0.509 10 A N -0.167 122.819 122.820 0.276 0.000 2.019 10 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 10 A C 1.738 179.351 177.584 0.049 0.000 1.164 10 A CA 1.951 54.100 52.037 0.186 0.000 0.644 10 A CB -0.725 18.382 19.000 0.177 0.000 0.805 10 A HN 0.540 nan 8.150 nan 0.000 0.449 11 D N -0.858 119.546 120.400 0.006 0.000 2.224 11 D HA -0.047 4.593 4.640 -0.000 0.000 0.205 11 D C 1.974 178.183 176.300 -0.150 0.000 0.965 11 D CA 1.148 55.119 54.000 -0.048 0.000 0.852 11 D CB -0.145 40.634 40.800 -0.035 0.000 0.947 11 D HN 0.506 nan 8.370 nan 0.000 0.494 12 M N -1.364 118.057 119.600 -0.298 0.000 2.398 12 M HA 0.094 4.574 4.480 -0.000 0.000 0.261 12 M C 0.774 176.659 176.300 -0.691 0.000 1.125 12 M CA 0.801 55.733 55.300 -0.614 0.000 1.183 12 M CB 0.196 32.151 32.600 -1.074 0.000 1.322 12 M HN -0.096 nan 8.290 nan 0.000 0.467 13 F N 0.434 120.230 119.950 -0.257 0.000 2.653 13 F HA 0.487 5.014 4.527 -0.000 0.000 0.304 13 F C 1.165 176.921 175.800 -0.074 0.000 1.092 13 F CA -0.021 57.856 58.000 -0.205 0.000 1.279 13 F CB -0.262 38.505 39.000 -0.388 0.000 1.044 13 F HN 0.257 nan 8.300 nan 0.000 0.564 14 G N 1.414 110.264 108.800 0.084 0.000 2.746 14 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.685 14 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.685 14 G C -2.898 172.126 174.900 0.206 0.000 1.350 14 G CA -1.323 43.852 45.100 0.126 0.000 0.837 14 G HN -0.005 nan 8.290 nan 0.000 0.564 15 P HA 0.384 nan 4.420 nan 0.000 0.269 15 P C 0.173 177.624 177.300 0.252 0.000 1.215 15 P CA 0.537 63.762 63.100 0.209 0.000 0.780 15 P CB 1.488 33.270 31.700 0.136 0.000 0.898 16 T N -0.031 114.667 114.554 0.241 0.000 2.807 16 T HA 0.295 4.645 4.350 -0.000 0.000 0.277 16 T C -0.340 174.439 174.700 0.132 0.000 1.006 16 T CA -0.803 61.428 62.100 0.217 0.000 1.006 16 T CB 0.618 69.621 68.868 0.224 0.000 1.274 16 T HN 0.113 nan 8.240 nan 0.000 0.569 17 V N 2.198 122.184 119.914 0.121 0.000 2.678 17 V HA 0.304 4.424 4.120 -0.000 0.000 0.304 17 V C 1.911 178.039 176.094 0.058 0.000 1.086 17 V CA 1.624 63.974 62.300 0.084 0.000 1.246 17 V CB -0.218 31.656 31.823 0.085 0.000 0.861 17 V HN 1.336 nan 8.190 nan 0.000 0.491 18 G N 3.579 112.409 108.800 0.050 0.000 2.241 18 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 18 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 18 G C -0.038 174.886 174.900 0.040 0.000 0.998 18 G CA 0.103 45.224 45.100 0.035 0.000 0.621 18 G HN 0.687 nan 8.290 nan 0.000 0.519 19 D N 1.366 121.802 120.400 0.059 0.000 2.341 19 D HA 0.539 5.179 4.640 -0.000 0.000 0.245 19 D C 0.615 176.969 176.300 0.090 0.000 1.106 19 D CA 0.361 54.406 54.000 0.075 0.000 0.905 19 D CB 0.985 41.843 40.800 0.097 0.000 1.202 19 D HN 0.414 nan 8.370 nan 0.000 0.426 20 K N 0.327 120.801 120.400 0.123 0.000 2.208 20 K HA 0.683 5.003 4.320 -0.000 0.000 0.247 20 K C -0.956 175.804 176.600 0.266 0.000 0.953 20 K CA -0.977 55.433 56.287 0.204 0.000 0.837 20 K CB 2.244 34.887 32.500 0.238 0.000 1.131 20 K HN 0.081 nan 8.250 nan 0.000 0.431 21 V N 1.785 121.821 119.914 0.204 0.000 2.686 21 V HA 0.346 4.466 4.120 -0.000 0.000 0.306 21 V C -0.551 175.385 176.094 -0.264 0.000 1.065 21 V CA -0.986 61.317 62.300 0.005 0.000 0.894 21 V CB 1.756 33.539 31.823 -0.067 0.000 1.004 21 V HN 0.701 nan 8.190 nan 0.000 0.424 22 R N 4.287 124.399 120.500 -0.646 0.000 2.347 22 R HA 0.453 4.793 4.340 -0.000 0.000 0.304 22 R C -0.828 175.111 176.300 -0.602 0.000 1.072 22 R CA -0.495 54.970 56.100 -1.059 0.000 0.980 22 R CB 0.494 30.052 30.300 -1.236 0.000 0.986 22 R HN 0.715 nan 8.270 nan 0.000 0.448 23 L N 6.478 127.360 121.223 -0.569 0.000 2.407 23 L HA 0.198 4.538 4.340 -0.000 0.000 0.282 23 L C 1.200 177.879 176.870 -0.319 0.000 1.110 23 L CA 0.373 54.927 54.840 -0.476 0.000 0.863 23 L CB 0.307 42.013 42.059 -0.588 0.000 1.207 23 L HN 1.126 nan 8.230 nan 0.000 0.454 24 A N 4.226 126.910 122.820 -0.227 0.000 5.483 24 A HA -0.309 4.011 4.320 -0.000 0.000 0.309 24 A C 0.789 178.271 177.584 -0.170 0.000 1.898 24 A CA 1.419 53.351 52.037 -0.175 0.000 0.716 24 A CB -1.055 17.818 19.000 -0.211 0.000 1.309 24 A HN 0.952 nan 8.150 nan 0.000 0.380 25 D N 0.137 120.478 120.400 -0.098 0.000 2.615 25 D HA 0.350 4.990 4.640 -0.000 0.000 0.236 25 D C 0.624 176.828 176.300 -0.160 0.000 1.233 25 D CA 0.958 54.893 54.000 -0.110 0.000 0.829 25 D CB -0.984 39.791 40.800 -0.042 0.000 1.024 25 D HN 1.080 nan 8.370 nan 0.000 0.490 26 T N -3.050 111.382 114.554 -0.202 0.000 2.880 26 T HA 0.294 4.644 4.350 -0.000 0.000 0.279 26 T C 0.811 175.477 174.700 -0.057 0.000 0.990 26 T CA -0.544 61.437 62.100 -0.197 0.000 0.938 26 T CB 1.823 70.610 68.868 -0.135 0.000 1.206 26 T HN -0.228 nan 8.240 nan 0.000 0.573 27 E N -0.136 120.211 120.200 0.246 0.000 2.474 27 E HA 0.258 4.608 4.350 -0.000 0.000 0.195 27 E C 0.104 176.794 176.600 0.151 0.000 1.039 27 E CA -0.088 56.439 56.400 0.212 0.000 0.881 27 E CB -0.130 29.725 29.700 0.257 0.000 0.970 27 E HN 0.544 nan 8.360 nan 0.000 0.486 28 L N 0.752 121.983 121.223 0.014 0.000 2.367 28 L HA 0.179 4.519 4.340 -0.000 0.000 0.275 28 L C -0.346 176.410 176.870 -0.191 0.000 1.129 28 L CA -0.123 54.710 54.840 -0.012 0.000 0.839 28 L CB 0.366 42.385 42.059 -0.067 0.000 1.133 28 L HN -0.084 nan 8.230 nan 0.000 0.453 29 W N 4.620 125.876 121.300 -0.073 0.000 2.702 29 W HA 0.641 5.301 4.660 -0.000 0.000 0.331 29 W C -0.182 176.276 176.519 -0.101 0.000 1.049 29 W CA -0.490 56.803 57.345 -0.087 0.000 1.230 29 W CB 1.522 30.953 29.460 -0.049 0.000 1.408 29 W HN 0.238 nan 8.180 nan 0.000 0.492 30 I N -0.485 120.130 120.570 0.075 0.000 2.648 30 I HA 0.712 4.882 4.170 -0.000 0.000 0.304 30 I C -0.738 175.417 176.117 0.063 0.000 1.009 30 I CA -1.109 60.195 61.300 0.005 0.000 1.114 30 I CB 2.319 40.238 38.000 -0.136 0.000 1.293 30 I HN 0.446 nan 8.210 nan 0.000 0.449 31 E N 3.827 124.054 120.200 0.044 0.000 2.234 31 E HA 0.418 4.768 4.350 -0.000 0.000 0.266 31 E C -1.426 175.195 176.600 0.035 0.000 0.877 31 E CA -0.879 55.552 56.400 0.053 0.000 0.758 31 E CB 2.439 32.170 29.700 0.051 0.000 1.170 31 E HN 0.617 nan 8.360 nan 0.000 0.415 32 V N 5.118 125.059 119.914 0.044 0.000 2.458 32 V HA -0.049 4.071 4.120 -0.000 0.000 0.287 32 V C 0.908 177.033 176.094 0.051 0.000 1.009 32 V CA 0.751 63.080 62.300 0.047 0.000 1.091 32 V CB 0.544 32.409 31.823 0.070 0.000 0.960 32 V HN 0.828 nan 8.190 nan 0.000 0.476 33 E N 2.370 122.599 120.200 0.049 0.000 2.318 33 E HA 0.079 4.429 4.350 -0.000 0.000 0.193 33 E C 0.112 176.751 176.600 0.066 0.000 0.998 33 E CA 0.347 56.782 56.400 0.057 0.000 0.859 33 E CB 0.399 30.137 29.700 0.062 0.000 0.812 33 E HN 0.768 nan 8.360 nan 0.000 0.492 34 D N -0.641 119.803 120.400 0.073 0.000 2.648 34 D HA 0.161 4.801 4.640 -0.000 0.000 0.244 34 D C -2.077 174.267 176.300 0.073 0.000 1.244 34 D CA -0.567 53.476 54.000 0.072 0.000 0.772 34 D CB 1.824 42.674 40.800 0.084 0.000 1.379 34 D HN -0.204 nan 8.370 nan 0.000 0.428 35 D N 2.132 122.562 120.400 0.049 0.000 2.696 35 D HA 0.267 4.907 4.640 -0.000 0.000 0.251 35 D C 0.045 176.330 176.300 -0.025 0.000 1.188 35 D CA -0.404 53.614 54.000 0.031 0.000 0.876 35 D CB 1.648 42.468 40.800 0.035 0.000 1.334 35 D HN 0.169 nan 8.370 nan 0.000 0.540 36 L N 2.522 123.742 121.223 -0.004 0.000 2.612 36 L HA 0.163 4.503 4.340 -0.000 0.000 0.230 36 L C 1.405 178.235 176.870 -0.067 0.000 1.140 36 L CA 0.416 55.242 54.840 -0.022 0.000 0.896 36 L CB -0.291 41.780 42.059 0.020 0.000 1.065 36 L HN 0.355 nan 8.230 nan 0.000 0.447 37 T N -1.206 113.273 114.554 -0.126 0.000 2.810 37 T HA 0.313 4.663 4.350 -0.000 0.000 0.277 37 T C 0.160 174.688 174.700 -0.286 0.000 0.973 37 T CA -0.192 61.806 62.100 -0.169 0.000 0.949 37 T CB 0.709 69.483 68.868 -0.155 0.000 1.075 37 T HN 0.078 nan 8.240 nan 0.000 0.537 38 T N 2.820 117.230 114.554 -0.240 0.000 2.991 38 T HA 0.342 4.692 4.350 -0.000 0.000 0.347 38 T C -1.208 173.396 174.700 -0.160 0.000 1.122 38 T CA -0.325 61.645 62.100 -0.216 0.000 1.062 38 T CB -0.290 68.523 68.868 -0.091 0.000 1.043 38 T HN 0.471 nan 8.240 nan 0.000 0.491 39 Y N 1.830 122.105 120.300 -0.042 0.000 2.954 39 Y HA 0.191 4.741 4.550 -0.000 0.000 0.351 39 Y C 1.714 177.589 175.900 -0.042 0.000 1.282 39 Y CA 1.561 59.629 58.100 -0.053 0.000 1.614 39 Y CB -0.455 37.957 38.460 -0.080 0.000 1.183 39 Y HN 0.997 nan 8.280 nan 0.000 0.566 40 G N 2.089 110.950 108.800 0.101 0.000 2.213 40 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.236 40 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.236 40 G C 0.672 175.584 174.900 0.020 0.000 0.991 40 G CA 0.160 45.292 45.100 0.053 0.000 0.629 40 G HN 0.519 nan 8.290 nan 0.000 0.517 41 E N 0.735 120.931 120.200 -0.007 0.000 2.624 41 E HA 0.224 4.574 4.350 -0.000 0.000 0.210 41 E C 0.296 176.891 176.600 -0.009 0.000 0.997 41 E CA -0.037 56.363 56.400 -0.000 0.000 0.999 41 E CB 0.518 30.218 29.700 0.000 0.000 1.040 41 E HN 0.679 nan 8.360 nan 0.000 0.469 42 E N 0.861 121.024 120.200 -0.060 0.000 2.413 42 E HA 0.068 4.417 4.350 -0.000 0.000 0.263 42 E C 0.211 176.861 176.600 0.084 0.000 1.015 42 E CA -0.092 56.287 56.400 -0.035 0.000 0.916 42 E CB 0.875 30.437 29.700 -0.230 0.000 0.947 42 E HN -0.075 nan 8.360 nan 0.000 0.440 43 V N 0.097 120.078 119.914 0.112 0.000 2.509 43 V HA 0.539 4.659 4.120 -0.000 0.000 0.284 43 V C -0.032 176.172 176.094 0.182 0.000 1.047 43 V CA -0.599 61.781 62.300 0.133 0.000 0.952 43 V CB 1.175 33.063 31.823 0.107 0.000 0.988 43 V HN 0.510 nan 8.190 nan 0.000 0.469 44 K N 3.281 123.788 120.400 0.178 0.000 2.502 44 K HA 0.569 4.889 4.320 -0.000 0.000 0.257 44 K C -1.950 174.750 176.600 0.167 0.000 0.938 44 K CA -0.683 55.706 56.287 0.172 0.000 0.819 44 K CB 2.751 35.338 32.500 0.144 0.000 1.333 44 K HN 0.745 nan 8.250 nan 0.000 0.434 45 F N 1.214 121.181 119.950 0.028 0.000 2.450 45 F HA 0.710 5.237 4.527 -0.000 0.000 0.332 45 F C 0.152 175.953 175.800 0.001 0.000 1.093 45 F CA 0.471 58.480 58.000 0.015 0.000 1.003 45 F CB 1.806 40.813 39.000 0.013 0.000 1.151 45 F HN 0.673 nan 8.300 nan 0.000 0.474 46 G N 2.342 110.480 108.800 -1.103 0.000 2.369 46 G HA2 0.350 4.310 3.960 -0.000 0.000 0.307 46 G HA3 0.350 4.310 3.960 -0.000 0.000 0.307 46 G C -0.780 173.810 174.900 -0.516 0.000 1.327 46 G CA -0.522 44.136 45.100 -0.736 0.000 0.963 46 G HN 1.066 nan 8.290 nan 0.000 0.590 47 G N -0.823 107.791 108.800 -0.310 0.000 2.313 47 G HA2 0.545 4.505 3.960 -0.000 0.000 0.250 47 G HA3 0.545 4.505 3.960 -0.000 0.000 0.250 47 G C 1.495 176.306 174.900 -0.149 0.000 1.281 47 G CA 1.876 46.856 45.100 -0.199 0.000 0.917 47 G HN 2.488 nan 8.290 nan 0.000 0.501 48 G N 1.715 110.442 108.800 -0.123 0.000 2.212 48 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.266 48 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.266 48 G C 0.971 175.829 174.900 -0.071 0.000 0.978 48 G CA 0.874 45.926 45.100 -0.079 0.000 0.632 48 G HN 0.748 nan 8.290 nan 0.000 0.537 49 K N 0.009 120.344 120.400 -0.109 0.000 2.400 49 K HA 0.490 4.810 4.320 -0.000 0.000 0.253 49 K C 1.985 178.572 176.600 -0.021 0.000 1.076 49 K CA 0.220 56.466 56.287 -0.069 0.000 0.887 49 K CB -0.505 31.931 32.500 -0.107 0.000 1.168 49 K HN 0.138 nan 8.250 nan 0.000 0.505 50 V N 0.543 120.473 119.914 0.026 0.000 2.446 50 V HA -0.050 4.070 4.120 -0.000 0.000 0.244 50 V C 1.377 177.507 176.094 0.059 0.000 1.039 50 V CA 0.969 63.301 62.300 0.053 0.000 1.045 50 V CB -0.287 31.588 31.823 0.087 0.000 0.681 50 V HN 0.447 nan 8.190 nan 0.000 0.459 51 I N 2.689 123.314 120.570 0.092 0.000 2.501 51 I HA 0.116 4.286 4.170 -0.000 0.000 0.305 51 I C 0.264 176.447 176.117 0.110 0.000 1.197 51 I CA 0.750 62.129 61.300 0.132 0.000 1.793 51 I CB -0.789 37.354 38.000 0.239 0.000 1.521 51 I HN 0.252 nan 8.210 nan 0.000 0.843 52 R N 2.786 123.324 120.500 0.063 0.000 2.651 52 R HA 0.224 4.564 4.340 -0.000 0.000 0.278 52 R C -0.852 175.469 176.300 0.036 0.000 1.010 52 R CA -1.162 54.964 56.100 0.043 0.000 0.896 52 R CB 1.890 32.195 30.300 0.009 0.000 1.211 52 R HN 0.274 nan 8.270 nan 0.000 0.456 53 D N 0.761 121.181 120.400 0.032 0.000 2.923 53 D HA -0.039 4.601 4.640 -0.000 0.000 0.220 53 D C 1.224 177.535 176.300 0.019 0.000 1.099 53 D CA 2.673 56.687 54.000 0.024 0.000 0.807 53 D CB 0.292 41.103 40.800 0.018 0.000 1.155 53 D HN 0.726 nan 8.370 nan 0.000 0.524 54 G N 2.548 111.359 108.800 0.019 0.000 2.199 54 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.254 54 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.254 54 G C 0.706 175.617 174.900 0.019 0.000 0.982 54 G CA 0.837 45.946 45.100 0.016 0.000 0.632 54 G HN 0.524 nan 8.290 nan 0.000 0.529 55 M N -0.969 118.645 119.600 0.023 0.000 2.371 55 M HA 0.479 4.959 4.480 -0.000 0.000 0.183 55 M C 2.406 178.727 176.300 0.034 0.000 1.550 55 M CA 0.893 56.209 55.300 0.027 0.000 1.726 55 M CB -0.283 32.332 32.600 0.026 0.000 0.963 55 M HN 0.127 nan 8.290 nan 0.000 0.795 56 G N 0.125 108.951 108.800 0.043 0.000 2.848 56 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.208 56 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.208 56 G C 0.331 175.262 174.900 0.052 0.000 1.152 56 G CA 0.134 45.266 45.100 0.053 0.000 0.789 56 G HN 0.457 nan 8.290 nan 0.000 0.531 57 Q N -0.037 119.790 119.800 0.046 0.000 2.337 57 Q HA 0.572 4.912 4.340 -0.000 0.000 0.266 57 Q C 0.199 176.215 176.000 0.026 0.000 1.023 57 Q CA -0.721 55.106 55.803 0.039 0.000 0.829 57 Q CB 1.724 30.491 28.738 0.047 0.000 1.306 57 Q HN 0.112 nan 8.270 nan 0.000 0.449 58 G N 1.224 110.035 108.800 0.018 0.000 2.532 58 G HA2 0.148 4.108 3.960 -0.000 0.000 0.291 58 G HA3 0.148 4.108 3.960 -0.000 0.000 0.291 58 G C -0.049 174.855 174.900 0.008 0.000 1.349 58 G CA -0.231 44.877 45.100 0.013 0.000 1.038 58 G HN 0.662 nan 8.290 nan 0.000 0.518 59 Q N -0.057 119.747 119.800 0.005 0.000 2.198 59 Q HA 0.119 4.459 4.340 -0.000 0.000 0.209 59 Q C 0.939 176.938 176.000 -0.002 0.000 0.848 59 Q CA -0.323 55.481 55.803 0.002 0.000 0.974 59 Q CB 0.306 29.047 28.738 0.004 0.000 1.115 59 Q HN 0.656 nan 8.270 nan 0.000 0.494 60 M N -0.789 118.808 119.600 -0.005 0.000 2.241 60 M HA 0.287 4.767 4.480 -0.000 0.000 0.335 60 M C -0.109 176.181 176.300 -0.017 0.000 1.122 60 M CA -0.134 55.160 55.300 -0.010 0.000 1.164 60 M CB 0.422 33.014 32.600 -0.012 0.000 1.459 60 M HN -0.083 nan 8.290 nan 0.000 0.461 61 L N 2.434 123.646 121.223 -0.017 0.000 2.472 61 L HA 0.239 4.579 4.340 -0.000 0.000 0.260 61 L C 1.912 178.762 176.870 -0.034 0.000 1.209 61 L CA -0.097 54.730 54.840 -0.022 0.000 0.817 61 L CB 0.452 42.501 42.059 -0.016 0.000 1.106 61 L HN 1.037 nan 8.230 nan 0.000 0.479 62 A N 1.707 124.504 122.820 -0.037 0.000 1.903 62 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 62 A C 2.259 179.805 177.584 -0.063 0.000 1.191 62 A CA 2.164 54.171 52.037 -0.051 0.000 0.638 62 A CB -0.946 18.026 19.000 -0.045 0.000 0.823 62 A HN 0.918 nan 8.150 nan 0.000 0.451 63 A N -0.858 121.936 122.820 -0.045 0.000 2.131 63 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 63 A C 1.278 178.830 177.584 -0.053 0.000 1.158 63 A CA 1.703 53.715 52.037 -0.041 0.000 0.665 63 A CB -0.329 18.661 19.000 -0.018 0.000 0.795 63 A HN 0.522 nan 8.150 nan 0.000 0.460 64 D N -1.117 119.249 120.400 -0.055 0.000 2.424 64 D HA 0.216 4.856 4.640 -0.000 0.000 0.220 64 D C 0.191 176.436 176.300 -0.092 0.000 1.150 64 D CA 0.556 54.525 54.000 -0.052 0.000 0.831 64 D CB -0.044 40.745 40.800 -0.018 0.000 0.981 64 D HN 0.614 nan 8.370 nan 0.000 0.500 65 C N -1.157 118.055 119.300 -0.145 0.000 3.171 65 C HA 0.765 5.225 4.460 -0.000 0.000 0.308 65 C C 0.361 175.186 174.990 -0.275 0.000 1.334 65 C CA -1.173 57.739 59.018 -0.177 0.000 1.473 65 C CB 1.076 28.757 27.740 -0.098 0.000 1.866 65 C HN 0.007 nan 8.230 nan 0.000 0.465 66 V N -0.081 119.659 119.914 -0.291 0.000 3.133 66 V HA 0.404 4.524 4.120 -0.000 0.000 0.305 66 V C 0.475 176.476 176.094 -0.154 0.000 1.084 66 V CA 0.423 62.547 62.300 -0.292 0.000 1.089 66 V CB 0.605 32.301 31.823 -0.212 0.000 1.073 66 V HN 0.918 nan 8.190 nan 0.000 0.477 67 D N 0.513 120.843 120.400 -0.117 0.000 2.240 67 D HA 0.179 4.819 4.640 -0.000 0.000 0.206 67 D C 0.236 176.499 176.300 -0.061 0.000 0.963 67 D CA 1.083 55.036 54.000 -0.078 0.000 0.863 67 D CB 0.706 41.470 40.800 -0.060 0.000 0.973 67 D HN 0.499 nan 8.370 nan 0.000 0.501 68 L N 0.226 121.422 121.223 -0.044 0.000 2.445 68 L HA 0.524 4.864 4.340 -0.000 0.000 0.262 68 L C -1.649 175.216 176.870 -0.008 0.000 0.974 68 L CA -0.864 53.957 54.840 -0.031 0.000 0.822 68 L CB 2.649 44.698 42.059 -0.016 0.000 1.339 68 L HN -0.268 nan 8.230 nan 0.000 0.409 69 V N 5.553 125.463 119.914 -0.008 0.000 2.638 69 V HA 0.598 4.718 4.120 -0.000 0.000 0.306 69 V C -1.417 174.692 176.094 0.026 0.000 1.052 69 V CA -0.483 61.831 62.300 0.023 0.000 0.885 69 V CB 2.012 33.851 31.823 0.026 0.000 0.999 69 V HN 0.741 nan 8.190 nan 0.000 0.424 70 L N 6.518 127.773 121.223 0.052 0.000 2.272 70 L HA 0.492 4.832 4.340 -0.000 0.000 0.284 70 L C 0.713 177.629 176.870 0.076 0.000 1.045 70 L CA 0.250 55.125 54.840 0.058 0.000 0.842 70 L CB 1.534 43.636 42.059 0.072 0.000 1.224 70 L HN 0.883 nan 8.230 nan 0.000 0.430 71 T N 0.140 114.740 114.554 0.076 0.000 2.851 71 T HA 0.229 4.579 4.350 -0.000 0.000 0.298 71 T C 0.601 175.368 174.700 0.113 0.000 0.977 71 T CA -0.632 61.527 62.100 0.098 0.000 1.126 71 T CB 0.333 69.268 68.868 0.111 0.000 0.916 71 T HN 0.587 nan 8.240 nan 0.000 0.529 72 N N 0.258 119.033 118.700 0.125 0.000 2.714 72 N HA -0.153 4.587 4.740 -0.000 0.000 0.253 72 N C -0.004 175.583 175.510 0.128 0.000 1.024 72 N CA 0.849 53.984 53.050 0.141 0.000 0.726 72 N CB -1.606 36.990 38.487 0.182 0.000 0.908 72 N HN 1.113 nan 8.380 nan 0.000 0.542 73 A N 0.090 122.981 122.820 0.119 0.000 2.293 73 A HA 0.626 4.946 4.320 -0.000 0.000 0.302 73 A C 0.386 178.037 177.584 0.112 0.000 1.119 73 A CA -0.573 51.534 52.037 0.116 0.000 0.823 73 A CB 0.916 19.987 19.000 0.117 0.000 1.097 73 A HN 0.306 nan 8.150 nan 0.000 0.491 74 L N 3.356 124.639 121.223 0.100 0.000 2.283 74 L HA 0.482 4.822 4.340 -0.000 0.000 0.281 74 L C -0.595 176.306 176.870 0.052 0.000 1.033 74 L CA -0.164 54.719 54.840 0.070 0.000 0.848 74 L CB -0.134 41.954 42.059 0.050 0.000 1.226 74 L HN 0.551 nan 8.230 nan 0.000 0.429 75 I N 5.063 125.657 120.570 0.040 0.000 2.529 75 I HA 0.239 4.409 4.170 -0.000 0.000 0.284 75 I C -0.365 175.676 176.117 -0.127 0.000 1.082 75 I CA -0.385 60.913 61.300 -0.004 0.000 1.406 75 I CB 1.162 39.174 38.000 0.020 0.000 1.405 75 I HN 0.253 nan 8.210 nan 0.000 0.548 76 V N 5.592 125.436 119.914 -0.116 0.000 2.380 76 V HA 0.417 4.537 4.120 -0.000 0.000 0.286 76 V C -0.642 175.343 176.094 -0.181 0.000 1.015 76 V CA -0.343 61.857 62.300 -0.167 0.000 0.834 76 V CB 1.497 33.247 31.823 -0.121 0.000 1.009 76 V HN 0.704 nan 8.190 nan 0.000 0.428 77 D N 0.731 120.881 120.400 -0.417 0.000 2.664 77 D HA 0.313 4.953 4.640 -0.000 0.000 0.292 77 D C 0.870 176.916 176.300 -0.422 0.000 1.214 77 D CA -0.378 53.352 54.000 -0.450 0.000 0.932 77 D CB 1.468 41.771 40.800 -0.828 0.000 1.420 77 D HN 0.678 nan 8.370 nan 0.000 0.471 78 H N -0.305 118.659 119.070 -0.178 0.000 2.456 78 H HA -0.040 4.516 4.556 -0.000 0.000 0.296 78 H C 1.393 176.828 175.328 0.179 0.000 1.079 78 H CA 1.774 57.857 56.048 0.059 0.000 1.322 78 H CB -0.292 29.536 29.762 0.109 0.000 1.388 78 H HN 0.492 nan 8.280 nan 0.000 0.538 79 W N 0.415 121.511 121.300 -0.340 0.000 3.077 79 W HA 0.598 5.258 4.660 -0.000 0.000 0.266 79 W C -0.106 176.411 176.519 -0.003 0.000 1.300 79 W CA 0.163 57.430 57.345 -0.131 0.000 1.586 79 W CB 0.162 29.454 29.460 -0.280 0.000 1.103 79 W HN 0.383 nan 8.180 nan 0.000 0.652 80 G N 0.900 109.457 108.800 -0.404 0.000 2.328 80 G HA2 0.434 4.394 3.960 -0.000 0.000 0.295 80 G HA3 0.434 4.394 3.960 -0.000 0.000 0.295 80 G C -2.048 172.608 174.900 -0.406 0.000 1.413 80 G CA -1.037 43.931 45.100 -0.220 0.000 0.817 80 G HN 0.046 nan 8.290 nan 0.000 0.546 81 I N 1.462 121.926 120.570 -0.177 0.000 2.563 81 I HA 0.445 4.615 4.170 -0.000 0.000 0.276 81 I C -0.010 176.077 176.117 -0.050 0.000 1.074 81 I CA -0.894 60.318 61.300 -0.147 0.000 1.124 81 I CB 1.414 39.355 38.000 -0.097 0.000 1.225 81 I HN 0.575 nan 8.210 nan 0.000 0.482 82 V N 2.120 122.015 119.914 -0.031 0.000 3.040 82 V HA 0.668 4.788 4.120 -0.000 0.000 0.312 82 V C -0.727 175.414 176.094 0.079 0.000 1.115 82 V CA -1.001 61.337 62.300 0.064 0.000 0.998 82 V CB 2.270 34.186 31.823 0.154 0.000 1.042 82 V HN 0.544 nan 8.190 nan 0.000 0.433 83 K N 2.069 122.526 120.400 0.095 0.000 2.183 83 K HA 0.908 5.228 4.320 -0.000 0.000 0.274 83 K C -0.408 176.256 176.600 0.108 0.000 1.009 83 K CA 0.718 57.069 56.287 0.106 0.000 0.888 83 K CB 1.018 33.592 32.500 0.123 0.000 1.078 83 K HN 1.658 nan 8.250 nan 0.000 0.459 84 A N 3.113 126.001 122.820 0.114 0.000 2.511 84 A HA 0.425 4.745 4.320 -0.000 0.000 0.293 84 A C -1.771 175.878 177.584 0.109 0.000 1.098 84 A CA -0.941 51.158 52.037 0.105 0.000 0.643 84 A CB 0.759 19.831 19.000 0.121 0.000 1.302 84 A HN 0.667 nan 8.150 nan 0.000 0.446 85 D N 0.478 120.937 120.400 0.098 0.000 2.193 85 D HA 0.618 5.258 4.640 -0.000 0.000 0.249 85 D C -0.613 175.754 176.300 0.111 0.000 1.034 85 D CA 0.266 54.327 54.000 0.100 0.000 0.902 85 D CB 1.434 42.287 40.800 0.089 0.000 1.182 85 D HN 0.441 nan 8.370 nan 0.000 0.436 86 I N 0.737 121.375 120.570 0.113 0.000 2.378 86 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 86 I C 0.687 176.879 176.117 0.126 0.000 0.992 86 I CA -0.807 60.569 61.300 0.126 0.000 1.154 86 I CB 2.072 40.150 38.000 0.128 0.000 1.315 86 I HN 0.203 nan 8.210 nan 0.000 0.448 87 G N 5.409 114.308 108.800 0.165 0.000 2.416 87 G HA2 0.626 4.586 3.960 -0.000 0.000 0.324 87 G HA3 0.626 4.586 3.960 -0.000 0.000 0.324 87 G C -1.012 174.013 174.900 0.207 0.000 1.194 87 G CA -0.356 44.858 45.100 0.190 0.000 0.922 87 G HN 0.338 nan 8.290 nan 0.000 0.467 88 V N 1.912 121.897 119.914 0.118 0.000 2.540 88 V HA 0.633 4.753 4.120 -0.000 0.000 0.302 88 V C -0.146 175.971 176.094 0.038 0.000 1.035 88 V CA -0.860 61.505 62.300 0.108 0.000 0.873 88 V CB 1.803 33.672 31.823 0.076 0.000 0.992 88 V HN 0.816 nan 8.190 nan 0.000 0.428 89 K N 3.023 123.464 120.400 0.068 0.000 2.535 89 K HA 0.449 4.769 4.320 -0.000 0.000 0.250 89 K C -0.731 175.901 176.600 0.055 0.000 0.948 89 K CA -0.439 55.846 56.287 -0.004 0.000 0.796 89 K CB 1.311 33.733 32.500 -0.130 0.000 1.216 89 K HN 0.673 nan 8.250 nan 0.000 0.432 90 D N 3.259 123.682 120.400 0.038 0.000 2.907 90 D HA -0.167 4.473 4.640 -0.000 0.000 0.226 90 D C 0.591 176.946 176.300 0.091 0.000 1.141 90 D CA 1.770 55.811 54.000 0.069 0.000 0.779 90 D CB -1.179 39.664 40.800 0.072 0.000 1.095 90 D HN 1.107 nan 8.370 nan 0.000 0.430 91 G N -0.417 108.433 108.800 0.084 0.000 2.184 91 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.264 91 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.264 91 G C 0.377 175.326 174.900 0.081 0.000 0.975 91 G CA 0.792 45.944 45.100 0.087 0.000 0.642 91 G HN 0.534 nan 8.290 nan 0.000 0.536 92 R N -0.846 119.708 120.500 0.091 0.000 2.854 92 R HA 0.643 4.983 4.340 -0.000 0.000 0.271 92 R C 0.172 176.549 176.300 0.129 0.000 0.996 92 R CA -1.164 54.995 56.100 0.100 0.000 0.961 92 R CB 1.334 31.689 30.300 0.093 0.000 1.182 92 R HN 0.168 nan 8.270 nan 0.000 0.479 93 I N 2.811 123.454 120.570 0.122 0.000 2.581 93 I HA -0.081 4.089 4.170 -0.000 0.000 0.285 93 I C 0.949 177.159 176.117 0.154 0.000 1.129 93 I CA 0.367 61.749 61.300 0.136 0.000 1.397 93 I CB 0.212 38.280 38.000 0.113 0.000 1.399 93 I HN 0.626 nan 8.210 nan 0.000 0.537 94 F N 7.114 127.086 119.950 0.036 0.000 2.220 94 F HA 0.404 4.931 4.527 -0.000 0.000 0.290 94 F C 1.017 176.828 175.800 0.018 0.000 1.080 94 F CA 0.728 58.744 58.000 0.025 0.000 1.318 94 F CB 0.303 39.317 39.000 0.024 0.000 1.063 94 F HN 0.460 nan 8.300 nan 0.000 0.498 95 A N -0.184 122.651 122.820 0.025 0.000 2.601 95 A HA 0.618 4.938 4.320 -0.000 0.000 0.291 95 A C -1.583 176.027 177.584 0.043 0.000 1.075 95 A CA -0.600 51.378 52.037 -0.098 0.000 0.671 95 A CB 0.608 19.507 19.000 -0.168 0.000 1.277 95 A HN 0.105 nan 8.150 nan 0.000 0.417 96 I N 1.468 122.041 120.570 0.004 0.000 2.493 96 I HA 0.600 4.770 4.170 -0.000 0.000 0.279 96 I C 0.588 176.728 176.117 0.038 0.000 1.045 96 I CA 0.147 61.479 61.300 0.054 0.000 1.106 96 I CB 1.316 39.346 38.000 0.051 0.000 1.216 96 I HN 1.069 nan 8.210 nan 0.000 0.459 97 G N 5.239 114.075 108.800 0.061 0.000 2.947 97 G HA2 0.178 4.138 3.960 -0.000 0.000 0.115 97 G HA3 0.178 4.138 3.960 -0.000 0.000 0.115 97 G C -1.367 173.562 174.900 0.049 0.000 1.214 97 G CA -0.298 44.828 45.100 0.043 0.000 1.324 97 G HN 0.238 nan 8.290 nan 0.000 0.645 98 K N 1.394 121.818 120.400 0.040 0.000 2.425 98 K HA 0.724 5.044 4.320 -0.000 0.000 0.259 98 K C -0.317 176.315 176.600 0.053 0.000 0.978 98 K CA -0.263 56.045 56.287 0.035 0.000 0.883 98 K CB 0.978 33.484 32.500 0.010 0.000 1.110 98 K HN 0.720 nan 8.250 nan 0.000 0.436 99 A N 2.480 125.336 122.820 0.061 0.000 2.279 99 A HA 0.854 5.174 4.320 -0.000 0.000 0.303 99 A C 0.354 177.971 177.584 0.055 0.000 1.108 99 A CA 0.379 52.456 52.037 0.066 0.000 0.830 99 A CB 0.860 19.904 19.000 0.072 0.000 1.106 99 A HN 0.891 nan 8.150 nan 0.000 0.493 100 G N 0.161 108.992 108.800 0.052 0.000 2.356 100 G HA2 0.275 4.235 3.960 -0.000 0.000 0.266 100 G HA3 0.275 4.235 3.960 -0.000 0.000 0.266 100 G C -1.535 173.389 174.900 0.039 0.000 1.312 100 G CA -0.297 44.830 45.100 0.046 0.000 0.922 100 G HN 1.031 nan 8.290 nan 0.000 0.480 101 N N 0.988 119.709 118.700 0.035 0.000 2.476 101 N HA 0.588 5.328 4.740 -0.000 0.000 0.257 101 N C -1.640 173.886 175.510 0.026 0.000 0.970 101 N CA -2.304 50.763 53.050 0.029 0.000 0.938 101 N CB 2.383 40.886 38.487 0.028 0.000 1.144 101 N HN 0.017 nan 8.380 nan 0.000 0.500 102 P HA -0.059 nan 4.420 nan 0.000 0.221 102 P C 0.324 177.636 177.300 0.019 0.000 1.145 102 P CA 0.886 64.000 63.100 0.023 0.000 0.795 102 P CB 0.470 32.184 31.700 0.025 0.000 0.775 103 D N -0.561 119.850 120.400 0.018 0.000 2.117 103 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 103 D C 1.682 177.992 176.300 0.016 0.000 0.987 103 D CA 1.275 55.285 54.000 0.016 0.000 0.829 103 D CB -0.205 40.604 40.800 0.015 0.000 0.961 103 D HN 0.353 nan 8.370 nan 0.000 0.460 104 I N -3.418 117.163 120.570 0.018 0.000 4.240 104 I HA 0.258 4.428 4.170 -0.000 0.000 0.331 104 I C -0.025 176.104 176.117 0.019 0.000 1.381 104 I CA -0.398 60.913 61.300 0.018 0.000 1.136 104 I CB 0.420 38.431 38.000 0.019 0.000 1.137 104 I HN -0.309 nan 8.210 nan 0.000 0.411 105 Q N 3.157 122.969 119.800 0.020 0.000 2.345 105 Q HA 0.557 4.897 4.340 -0.000 0.000 0.268 105 Q C -2.596 173.413 176.000 0.016 0.000 1.054 105 Q CA -2.040 53.774 55.803 0.019 0.000 0.835 105 Q CB 2.325 31.077 28.738 0.023 0.000 1.339 105 Q HN 0.087 nan 8.270 nan 0.000 0.447 106 P HA 0.151 nan 4.420 nan 0.000 0.286 106 P C -1.016 176.286 177.300 0.004 0.000 1.261 106 P CA -0.176 62.928 63.100 0.007 0.000 0.821 106 P CB 0.659 32.361 31.700 0.003 0.000 1.013 107 N N -1.416 117.286 118.700 0.004 0.000 2.693 107 N HA -0.137 4.603 4.740 -0.000 0.000 0.249 107 N C -0.309 175.208 175.510 0.011 0.000 1.119 107 N CA 0.381 53.432 53.050 0.003 0.000 0.717 107 N CB -1.823 36.658 38.487 -0.010 0.000 1.071 107 N HN 0.172 nan 8.380 nan 0.000 0.555 108 V N 0.814 120.740 119.914 0.021 0.000 2.479 108 V HA 0.132 4.252 4.120 -0.000 0.000 0.281 108 V C 1.707 177.829 176.094 0.047 0.000 1.031 108 V CA 1.140 63.460 62.300 0.034 0.000 1.038 108 V CB 1.151 32.996 31.823 0.037 0.000 0.981 108 V HN 0.538 nan 8.190 nan 0.000 0.478 109 T N 1.711 116.301 114.554 0.060 0.000 2.959 109 T HA 0.368 4.718 4.350 -0.000 0.000 0.254 109 T C 0.327 175.121 174.700 0.157 0.000 1.003 109 T CA 0.148 62.295 62.100 0.079 0.000 0.950 109 T CB 0.130 69.022 68.868 0.040 0.000 1.090 109 T HN 0.349 nan 8.240 nan 0.000 0.503 110 I N 3.992 124.650 120.570 0.147 0.000 2.555 110 I HA 0.367 4.537 4.170 -0.000 0.000 0.275 110 I C -2.667 173.511 176.117 0.101 0.000 1.082 110 I CA -2.686 58.731 61.300 0.195 0.000 1.167 110 I CB 1.689 39.796 38.000 0.178 0.000 1.312 110 I HN -0.024 nan 8.210 nan 0.000 0.493 111 P HA 0.200 nan 4.420 nan 0.000 0.271 111 P C -0.510 176.782 177.300 -0.013 0.000 1.216 111 P CA 0.253 63.365 63.100 0.021 0.000 0.771 111 P CB 1.358 33.064 31.700 0.010 0.000 0.864 112 I N 2.056 122.628 120.570 0.002 0.000 2.404 112 I HA 0.604 4.774 4.170 -0.000 0.000 0.293 112 I C 0.967 177.081 176.117 -0.004 0.000 0.992 112 I CA -0.241 61.058 61.300 -0.002 0.000 1.149 112 I CB 2.081 40.096 38.000 0.024 0.000 1.315 112 I HN 0.456 nan 8.210 nan 0.000 0.446 113 G N 2.616 111.406 108.800 -0.016 0.000 3.021 113 G HA2 0.535 4.495 3.960 -0.000 0.000 0.290 113 G HA3 0.535 4.495 3.960 -0.000 0.000 0.290 113 G C 0.466 175.359 174.900 -0.012 0.000 1.291 113 G CA 0.153 45.246 45.100 -0.012 0.000 0.834 113 G HN 0.594 nan 8.290 nan 0.000 0.564 114 A N -0.631 122.181 122.820 -0.012 0.000 1.940 114 A HA 0.227 4.547 4.320 -0.000 0.000 0.219 114 A C 2.457 180.025 177.584 -0.026 0.000 1.176 114 A CA 2.818 54.847 52.037 -0.012 0.000 0.631 114 A CB -0.779 18.213 19.000 -0.013 0.000 0.814 114 A HN 1.598 nan 8.150 nan 0.000 0.446 115 A N -1.022 121.776 122.820 -0.037 0.000 2.238 115 A HA 0.284 4.604 4.320 -0.000 0.000 0.208 115 A C 0.914 178.463 177.584 -0.058 0.000 1.177 115 A CA 0.773 52.780 52.037 -0.049 0.000 0.804 115 A CB -0.560 18.407 19.000 -0.054 0.000 0.823 115 A HN 0.304 nan 8.150 nan 0.000 0.482 116 T N 1.131 115.654 114.554 -0.052 0.000 2.743 116 T HA 0.400 4.750 4.350 -0.000 0.000 0.293 116 T C -0.232 174.425 174.700 -0.071 0.000 0.945 116 T CA -0.198 61.867 62.100 -0.058 0.000 1.030 116 T CB 1.237 70.078 68.868 -0.044 0.000 0.912 116 T HN 0.464 nan 8.240 nan 0.000 0.483 117 E N 2.626 122.775 120.200 -0.086 0.000 2.248 117 E HA 0.544 4.894 4.350 -0.000 0.000 0.272 117 E C -0.685 175.836 176.600 -0.132 0.000 1.008 117 E CA -0.871 55.456 56.400 -0.122 0.000 0.856 117 E CB 1.108 30.743 29.700 -0.108 0.000 1.120 117 E HN 0.449 nan 8.360 nan 0.000 0.397 118 V N 1.685 121.470 119.914 -0.214 0.000 2.735 118 V HA 0.656 4.776 4.120 -0.000 0.000 0.310 118 V C -0.607 175.380 176.094 -0.179 0.000 1.061 118 V CA -0.748 61.440 62.300 -0.186 0.000 0.913 118 V CB 1.564 33.262 31.823 -0.209 0.000 1.005 118 V HN 0.720 nan 8.190 nan 0.000 0.428 119 I N 4.172 124.691 120.570 -0.084 0.000 2.410 119 I HA 0.650 4.820 4.170 -0.000 0.000 0.286 119 I C 0.576 176.690 176.117 -0.005 0.000 1.009 119 I CA -0.804 60.468 61.300 -0.048 0.000 1.111 119 I CB 1.849 39.836 38.000 -0.021 0.000 1.262 119 I HN 0.942 nan 8.210 nan 0.000 0.443 120 A N 5.173 127.999 122.820 0.010 0.000 2.410 120 A HA 0.553 4.873 4.320 -0.000 0.000 0.292 120 A C 0.842 178.458 177.584 0.053 0.000 1.232 120 A CA -0.086 51.982 52.037 0.052 0.000 0.893 120 A CB 0.224 19.269 19.000 0.075 0.000 1.131 120 A HN 0.886 nan 8.150 nan 0.000 0.530 121 A N 2.908 125.768 122.820 0.068 0.000 2.387 121 A HA 0.255 4.575 4.320 -0.000 0.000 0.234 121 A C 0.736 178.372 177.584 0.088 0.000 1.253 121 A CA -0.220 51.863 52.037 0.077 0.000 0.894 121 A CB -0.146 18.904 19.000 0.085 0.000 0.963 121 A HN 0.823 nan 8.150 nan 0.000 0.508 122 E N 0.043 120.294 120.200 0.084 0.000 2.417 122 E HA 0.308 4.658 4.350 -0.000 0.000 0.261 122 E C 0.786 177.426 176.600 0.067 0.000 1.000 122 E CA 0.510 56.961 56.400 0.085 0.000 0.919 122 E CB 0.212 29.954 29.700 0.070 0.000 0.955 122 E HN 0.893 nan 8.360 nan 0.000 0.455 123 G N 2.875 111.723 108.800 0.078 0.000 2.157 123 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.239 123 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.239 123 G C -0.127 174.826 174.900 0.087 0.000 0.982 123 G CA 0.173 45.315 45.100 0.071 0.000 0.650 123 G HN 0.480 nan 8.290 nan 0.000 0.527 124 K N -0.060 120.401 120.400 0.102 0.000 2.328 124 K HA 0.713 5.033 4.320 -0.000 0.000 0.246 124 K C -0.042 176.645 176.600 0.144 0.000 0.955 124 K CA -0.888 55.481 56.287 0.136 0.000 0.817 124 K CB 2.185 34.766 32.500 0.135 0.000 1.208 124 K HN 0.204 nan 8.250 nan 0.000 0.432 125 I N 1.653 122.343 120.570 0.201 0.000 2.353 125 I HA 0.246 4.416 4.170 -0.000 0.000 0.293 125 I C -0.308 176.018 176.117 0.347 0.000 0.992 125 I CA -1.039 60.379 61.300 0.196 0.000 1.268 125 I CB 1.605 39.669 38.000 0.106 0.000 1.387 125 I HN 0.014 nan 8.210 nan 0.000 0.478 126 V N 4.860 124.933 119.914 0.265 0.000 2.495 126 V HA 0.581 4.701 4.120 -0.000 0.000 0.298 126 V C 0.110 176.385 176.094 0.302 0.000 1.031 126 V CA -0.370 62.094 62.300 0.274 0.000 0.871 126 V CB 1.989 33.916 31.823 0.173 0.000 0.988 126 V HN 0.911 nan 8.190 nan 0.000 0.432 127 T N 1.567 116.349 114.554 0.380 0.000 2.887 127 T HA 0.874 5.224 4.350 -0.000 0.000 0.292 127 T C -0.152 174.722 174.700 0.289 0.000 1.087 127 T CA -0.355 61.969 62.100 0.375 0.000 1.009 127 T CB 1.963 71.195 68.868 0.607 0.000 1.203 127 T HN 0.993 nan 8.240 nan 0.000 0.518 128 A N 0.340 123.315 122.820 0.258 0.000 2.313 128 A HA 0.725 5.045 4.320 -0.000 0.000 0.261 128 A C 0.921 178.654 177.584 0.247 0.000 1.090 128 A CA -0.194 51.976 52.037 0.221 0.000 0.807 128 A CB -0.534 18.588 19.000 0.203 0.000 1.055 128 A HN 1.376 nan 8.150 nan 0.000 0.492 129 G N -0.256 108.665 108.800 0.201 0.000 2.432 129 G HA2 0.479 4.439 3.960 -0.000 0.000 0.257 129 G HA3 0.479 4.439 3.960 -0.000 0.000 0.257 129 G C 0.525 175.575 174.900 0.250 0.000 1.238 129 G CA 0.210 45.433 45.100 0.205 0.000 0.838 129 G HN 1.118 nan 8.290 nan 0.000 0.547 130 G N -0.418 108.569 108.800 0.313 0.000 2.636 130 G HA2 0.462 4.422 3.960 -0.000 0.000 0.246 130 G HA3 0.462 4.422 3.960 -0.000 0.000 0.246 130 G C -0.293 174.752 174.900 0.243 0.000 1.216 130 G CA -0.516 44.813 45.100 0.381 0.000 0.854 130 G HN 0.658 nan 8.290 nan 0.000 0.572 131 I N 0.693 121.401 120.570 0.230 0.000 2.468 131 I HA 0.208 4.378 4.170 -0.000 0.000 0.285 131 I C -1.347 174.848 176.117 0.131 0.000 1.039 131 I CA -0.730 60.661 61.300 0.152 0.000 1.074 131 I CB 2.263 40.334 38.000 0.118 0.000 1.228 131 I HN 0.293 nan 8.210 nan 0.000 0.436 132 D N 4.479 124.932 120.400 0.089 0.000 2.349 132 D HA 0.234 4.874 4.640 -0.000 0.000 0.232 132 D C 0.721 177.044 176.300 0.038 0.000 1.071 132 D CA -0.217 53.819 54.000 0.059 0.000 0.832 132 D CB 1.724 42.530 40.800 0.009 0.000 1.086 132 D HN 0.635 nan 8.370 nan 0.000 0.504 133 T N 0.239 114.842 114.554 0.082 0.000 3.186 133 T HA 0.127 4.477 4.350 -0.000 0.000 0.257 133 T C 0.595 175.359 174.700 0.106 0.000 1.029 133 T CA -0.102 62.030 62.100 0.053 0.000 0.916 133 T CB -0.445 68.509 68.868 0.143 0.000 1.041 133 T HN 0.494 nan 8.240 nan 0.000 0.562 134 H N 0.558 119.569 119.070 -0.098 0.000 2.716 134 H HA 0.438 4.994 4.556 -0.000 0.000 0.230 134 H C -0.677 174.506 175.328 -0.240 0.000 1.401 134 H CA -0.902 54.974 56.048 -0.286 0.000 1.168 134 H CB -0.031 29.432 29.762 -0.499 0.000 1.935 134 H HN 0.201 nan 8.280 nan 0.000 0.538 135 I N 1.741 122.237 120.570 -0.123 0.000 2.440 135 I HA 0.136 4.306 4.170 -0.000 0.000 0.294 135 I C 0.352 176.252 176.117 -0.361 0.000 0.995 135 I CA -0.209 60.902 61.300 -0.315 0.000 1.306 135 I CB 1.054 38.628 38.000 -0.710 0.000 1.407 135 I HN 0.505 nan 8.210 nan 0.000 0.501 136 H N 4.988 123.875 119.070 -0.306 0.000 2.551 136 H HA 0.147 4.703 4.556 -0.000 0.000 0.321 136 H C -0.901 174.313 175.328 -0.189 0.000 1.028 136 H CA -0.391 55.569 56.048 -0.147 0.000 1.215 136 H CB 0.837 30.576 29.762 -0.037 0.000 1.414 136 H HN 0.567 nan 8.280 nan 0.000 0.480 137 W N 5.366 126.735 121.300 0.114 0.000 1.564 137 W HA 0.164 4.824 4.660 -0.000 0.000 0.480 137 W C 1.013 177.571 176.519 0.066 0.000 0.699 137 W CA -0.284 57.106 57.345 0.075 0.000 1.985 137 W CB -0.220 29.266 29.460 0.043 0.000 1.738 137 W HN 0.628 nan 8.180 nan 0.000 0.218 138 I N 1.256 121.971 120.570 0.243 0.000 2.716 138 I HA -0.058 4.112 4.170 -0.000 0.000 0.259 138 I C 0.988 177.203 176.117 0.164 0.000 1.172 138 I CA 0.571 61.976 61.300 0.175 0.000 1.478 138 I CB -0.195 37.905 38.000 0.166 0.000 1.104 138 I HN 0.227 nan 8.210 nan 0.000 0.439 139 C N -2.149 117.269 119.300 0.197 0.000 3.171 139 C HA 0.367 4.827 4.460 -0.000 0.000 0.336 139 C C -1.944 173.178 174.990 0.220 0.000 1.198 139 C CA -1.357 57.761 59.018 0.166 0.000 1.319 139 C CB 1.260 29.067 27.740 0.111 0.000 1.682 139 C HN -0.067 nan 8.230 nan 0.000 0.497 140 P HA -0.090 nan 4.420 nan 0.000 0.223 140 P C 1.096 178.490 177.300 0.158 0.000 1.151 140 P CA 1.567 64.763 63.100 0.159 0.000 0.787 140 P CB 0.223 31.966 31.700 0.072 0.000 0.788 141 Q N 0.097 119.968 119.800 0.119 0.000 2.368 141 Q HA -0.135 4.205 4.340 -0.000 0.000 0.210 141 Q C 2.348 178.404 176.000 0.094 0.000 0.982 141 Q CA 1.271 57.127 55.803 0.089 0.000 0.884 141 Q CB -0.837 27.937 28.738 0.060 0.000 0.933 141 Q HN 0.452 nan 8.270 nan 0.000 0.460 142 Q N -0.644 119.233 119.800 0.128 0.000 2.170 142 Q HA -0.100 4.240 4.340 -0.000 0.000 0.203 142 Q C 1.974 178.040 176.000 0.110 0.000 0.976 142 Q CA 1.149 57.005 55.803 0.089 0.000 0.858 142 Q CB -0.162 28.609 28.738 0.055 0.000 0.907 142 Q HN 0.487 nan 8.270 nan 0.000 0.433 143 A N 1.025 123.970 122.820 0.210 0.000 1.933 143 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 143 A C 1.871 179.518 177.584 0.105 0.000 1.175 143 A CA 1.592 53.752 52.037 0.205 0.000 0.628 143 A CB -0.391 18.762 19.000 0.255 0.000 0.814 143 A HN 0.415 nan 8.150 nan 0.000 0.444 144 E N -0.606 119.641 120.200 0.078 0.000 2.072 144 E HA -0.210 4.140 4.350 -0.000 0.000 0.190 144 E C 1.968 178.572 176.600 0.008 0.000 0.982 144 E CA 1.193 57.618 56.400 0.041 0.000 0.803 144 E CB -0.101 29.624 29.700 0.042 0.000 0.755 144 E HN 0.540 nan 8.360 nan 0.000 0.453 145 E N 0.499 120.704 120.200 0.009 0.000 2.038 145 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 145 E C 1.766 178.345 176.600 -0.036 0.000 1.000 145 E CA 1.697 58.086 56.400 -0.020 0.000 0.803 145 E CB -0.365 29.326 29.700 -0.015 0.000 0.750 145 E HN 0.356 nan 8.360 nan 0.000 0.448 146 A N 0.120 122.932 122.820 -0.013 0.000 1.902 146 A HA -0.143 4.176 4.320 -0.000 0.000 0.217 146 A C 2.230 179.809 177.584 -0.009 0.000 1.181 146 A CA 1.503 53.532 52.037 -0.013 0.000 0.623 146 A CB -0.801 18.201 19.000 0.004 0.000 0.818 146 A HN 0.361 nan 8.150 nan 0.000 0.443 147 L N -0.105 121.118 121.223 0.001 0.000 2.046 147 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 147 L C 2.348 179.174 176.870 -0.074 0.000 1.077 147 L CA 1.767 56.603 54.840 -0.007 0.000 0.747 147 L CB -0.373 41.695 42.059 0.015 0.000 0.896 147 L HN 0.150 nan 8.230 nan 0.000 0.432 148 V N -0.409 119.425 119.914 -0.134 0.000 2.490 148 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 148 V C 2.571 178.482 176.094 -0.305 0.000 1.061 148 V CA 1.692 63.793 62.300 -0.331 0.000 1.064 148 V CB -0.811 30.741 31.823 -0.451 0.000 0.670 148 V HN 0.772 nan 8.190 nan 0.000 0.461 149 S N -0.548 115.071 115.700 -0.135 0.000 2.528 149 S HA 0.276 4.746 4.470 -0.000 0.000 0.219 149 S C 1.513 176.155 174.600 0.071 0.000 0.985 149 S CA 0.769 58.956 58.200 -0.022 0.000 0.914 149 S CB 0.702 63.898 63.200 -0.006 0.000 0.776 149 S HN 1.127 nan 8.310 nan 0.000 0.526 150 G N -0.043 108.753 108.800 -0.007 0.000 2.154 150 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.186 150 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.186 150 G C -0.194 174.773 174.900 0.112 0.000 1.000 150 G CA -0.202 44.918 45.100 0.032 0.000 0.664 150 G HN 0.600 nan 8.290 nan 0.000 0.513 151 V N 2.182 122.142 119.914 0.077 0.000 2.364 151 V HA 0.526 4.646 4.120 -0.000 0.000 0.272 151 V C 1.475 177.629 176.094 0.100 0.000 1.036 151 V CA 0.659 63.022 62.300 0.105 0.000 0.880 151 V CB 1.213 33.076 31.823 0.067 0.000 0.991 151 V HN 0.576 nan 8.190 nan 0.000 0.460 152 T N -0.017 114.614 114.554 0.128 0.000 3.040 152 T HA 0.131 4.481 4.350 -0.000 0.000 0.250 152 T C 0.628 175.422 174.700 0.158 0.000 1.058 152 T CA 0.005 62.180 62.100 0.125 0.000 0.988 152 T CB 0.174 69.113 68.868 0.118 0.000 0.993 152 T HN 0.546 nan 8.240 nan 0.000 0.519 153 T N 2.312 116.971 114.554 0.174 0.000 2.881 153 T HA 0.666 5.016 4.350 -0.000 0.000 0.290 153 T C -0.991 173.819 174.700 0.182 0.000 1.000 153 T CA -0.611 61.621 62.100 0.220 0.000 0.978 153 T CB 1.806 70.814 68.868 0.234 0.000 0.997 153 T HN 0.183 nan 8.240 nan 0.000 0.443 154 M N 3.121 122.859 119.600 0.231 0.000 2.197 154 M HA 0.561 5.040 4.480 -0.000 0.000 0.301 154 M C -1.145 175.289 176.300 0.224 0.000 0.987 154 M CA -0.854 54.550 55.300 0.174 0.000 0.921 154 M CB 2.202 34.912 32.600 0.184 0.000 1.569 154 M HN 0.247 nan 8.290 nan 0.000 0.431 155 V N 2.252 122.209 119.914 0.071 0.000 2.555 155 V HA 1.024 5.144 4.120 -0.000 0.000 0.302 155 V C 0.291 176.372 176.094 -0.022 0.000 1.038 155 V CA -0.153 62.174 62.300 0.044 0.000 0.887 155 V CB 1.766 33.498 31.823 -0.152 0.000 0.991 155 V HN 1.087 nan 8.190 nan 0.000 0.434 156 G N 2.592 111.428 108.800 0.059 0.000 2.404 156 G HA2 0.620 4.580 3.960 -0.000 0.000 0.253 156 G HA3 0.620 4.580 3.960 -0.000 0.000 0.253 156 G C -0.500 174.484 174.900 0.139 0.000 1.253 156 G CA 0.294 45.380 45.100 -0.022 0.000 0.917 156 G HN 1.304 nan 8.290 nan 0.000 0.480 157 G N -2.124 106.730 108.800 0.090 0.000 2.623 157 G HA2 0.952 4.912 3.960 -0.000 0.000 0.290 157 G HA3 0.952 4.912 3.960 -0.000 0.000 0.290 157 G C -0.221 174.847 174.900 0.279 0.000 1.437 157 G CA 0.825 46.102 45.100 0.294 0.000 0.798 157 G HN 2.470 nan 8.290 nan 0.000 0.488 158 G N -1.995 106.971 108.800 0.276 0.000 2.361 158 G HA2 0.520 4.480 3.960 -0.000 0.000 0.305 158 G HA3 0.520 4.480 3.960 -0.000 0.000 0.305 158 G C 0.236 175.198 174.900 0.102 0.000 1.367 158 G CA 0.843 46.054 45.100 0.184 0.000 0.951 158 G HN 1.842 nan 8.290 nan 0.000 0.615 159 T N -2.768 111.775 114.554 -0.018 0.000 3.043 159 T HA 0.632 4.982 4.350 -0.000 0.000 0.272 159 T C 1.334 176.024 174.700 -0.018 0.000 0.990 159 T CA 1.286 63.320 62.100 -0.111 0.000 0.897 159 T CB 0.592 69.145 68.868 -0.525 0.000 1.111 159 T HN 2.698 nan 8.240 nan 0.000 0.529 160 G N 2.375 111.192 108.800 0.028 0.000 2.270 160 G HA2 0.167 4.127 3.960 -0.000 0.000 0.268 160 G HA3 0.167 4.127 3.960 -0.000 0.000 0.268 160 G C -2.946 171.933 174.900 -0.036 0.000 1.312 160 G CA -0.442 44.683 45.100 0.042 0.000 1.050 160 G HN 0.072 nan 8.290 nan 0.000 0.474 161 P HA 0.498 nan 4.420 nan 0.000 0.230 161 P C -0.166 176.943 177.300 -0.317 0.000 1.791 161 P CA 0.946 63.963 63.100 -0.139 0.000 1.020 161 P CB 0.188 31.941 31.700 0.089 0.000 1.977 162 A N 1.310 123.852 122.820 -0.464 0.000 2.374 162 A HA 0.650 4.970 4.320 -0.000 0.000 0.317 162 A C 1.493 178.838 177.584 -0.398 0.000 1.094 162 A CA -0.210 51.647 52.037 -0.301 0.000 0.765 162 A CB 1.356 20.269 19.000 -0.145 0.000 1.268 162 A HN 0.221 nan 8.150 nan 0.000 0.438 163 A N 1.855 124.581 122.820 -0.157 0.000 1.896 163 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 163 A C 2.262 179.915 177.584 0.114 0.000 1.206 163 A CA 3.053 55.072 52.037 -0.029 0.000 0.647 163 A CB -1.464 17.334 19.000 -0.338 0.000 0.828 163 A HN 1.802 nan 8.150 nan 0.000 0.455 164 G N -1.546 107.280 108.800 0.043 0.000 2.529 164 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 164 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 164 G C 1.581 176.577 174.900 0.161 0.000 1.177 164 G CA 1.816 47.004 45.100 0.147 0.000 0.773 164 G HN 0.478 nan 8.290 nan 0.000 0.573 165 T N -0.051 114.565 114.554 0.103 0.000 2.904 165 T HA -0.033 4.317 4.350 -0.000 0.000 0.267 165 T C 2.100 176.942 174.700 0.236 0.000 1.059 165 T CA 1.099 63.284 62.100 0.142 0.000 1.137 165 T CB -0.291 68.612 68.868 0.059 0.000 0.879 165 T HN 0.305 nan 8.240 nan 0.000 0.467 166 H N 1.033 120.182 119.070 0.131 0.000 2.422 166 H HA 0.121 4.677 4.556 -0.000 0.000 0.298 166 H C 2.316 177.566 175.328 -0.131 0.000 1.098 166 H CA 1.280 57.335 56.048 0.012 0.000 1.315 166 H CB -0.284 29.526 29.762 0.080 0.000 1.382 166 H HN 0.444 nan 8.280 nan 0.000 0.523 167 A N -0.060 122.804 122.820 0.073 0.000 2.035 167 A HA 0.118 4.438 4.320 -0.000 0.000 0.208 167 A C 1.225 178.791 177.584 -0.030 0.000 1.206 167 A CA 0.815 52.799 52.037 -0.088 0.000 0.773 167 A CB 0.159 19.087 19.000 -0.120 0.000 0.878 167 A HN 0.412 nan 8.150 nan 0.000 0.469 168 T N -2.439 112.103 114.554 -0.019 0.000 2.907 168 T HA 0.457 4.807 4.350 -0.000 0.000 0.292 168 T C 0.042 174.766 174.700 0.040 0.000 1.043 168 T CA 0.253 62.300 62.100 -0.087 0.000 1.003 168 T CB 1.380 70.171 68.868 -0.129 0.000 1.084 168 T HN 0.280 nan 8.240 nan 0.000 0.483 169 T N -0.266 114.244 114.554 -0.074 0.000 3.341 169 T HA 0.391 4.741 4.350 -0.000 0.000 0.234 169 T C 0.233 174.957 174.700 0.041 0.000 0.890 169 T CA -0.682 61.298 62.100 -0.200 0.000 0.952 169 T CB -1.808 66.933 68.868 -0.213 0.000 1.146 169 T HN 0.691 nan 8.240 nan 0.000 0.591 170 C N 1.579 120.955 119.300 0.125 0.000 2.382 170 C HA 0.645 5.104 4.460 -0.000 0.000 0.327 170 C C 0.716 175.758 174.990 0.087 0.000 1.250 170 C CA -0.821 58.264 59.018 0.113 0.000 1.707 170 C CB 0.941 28.749 27.740 0.113 0.000 2.272 170 C HN 0.559 nan 8.230 nan 0.000 0.506 171 T N 4.376 118.970 114.554 0.067 0.000 2.929 171 T HA 0.280 4.630 4.350 -0.000 0.000 0.331 171 T C -2.635 172.093 174.700 0.046 0.000 1.120 171 T CA -0.700 61.438 62.100 0.063 0.000 0.973 171 T CB 0.211 69.137 68.868 0.096 0.000 1.036 171 T HN 0.447 nan 8.240 nan 0.000 0.502 172 P HA 0.330 nan 4.420 nan 0.000 0.265 172 P C 0.730 178.128 177.300 0.163 0.000 1.222 172 P CA 0.767 63.877 63.100 0.017 0.000 0.767 172 P CB 0.172 31.858 31.700 -0.022 0.000 0.801 173 G N 5.385 114.236 108.800 0.085 0.000 2.825 173 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.684 173 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.684 173 G C -1.957 173.027 174.900 0.139 0.000 1.528 173 G CA -0.833 44.333 45.100 0.111 0.000 0.963 173 G HN 0.276 nan 8.290 nan 0.000 0.577 174 P HA -0.130 nan 4.420 nan 0.000 0.216 174 P C 1.613 178.969 177.300 0.093 0.000 1.150 174 P CA 2.096 65.244 63.100 0.081 0.000 0.843 174 P CB 0.034 31.775 31.700 0.068 0.000 0.787 175 W N -1.157 120.113 121.300 -0.050 0.000 2.378 175 W HA -0.186 4.474 4.660 -0.000 0.000 0.313 175 W C 2.155 178.609 176.519 -0.108 0.000 1.197 175 W CA 1.448 58.721 57.345 -0.120 0.000 1.304 175 W CB -1.050 28.274 29.460 -0.226 0.000 1.148 175 W HN -0.112 nan 8.180 nan 0.000 0.494 176 Y N 0.215 120.657 120.300 0.237 0.000 2.242 176 Y HA -0.187 4.363 4.550 -0.000 0.000 0.291 176 Y C 2.347 178.219 175.900 -0.046 0.000 1.137 176 Y CA 1.720 59.877 58.100 0.094 0.000 1.181 176 Y CB -1.009 37.553 38.460 0.169 0.000 0.989 176 Y HN -0.062 nan 8.280 nan 0.000 0.527 177 I N -1.179 119.472 120.570 0.135 0.000 2.142 177 I HA -0.360 3.810 4.170 -0.000 0.000 0.240 177 I C 2.350 178.438 176.117 -0.048 0.000 1.078 177 I CA 1.613 62.940 61.300 0.045 0.000 1.343 177 I CB -0.606 37.421 38.000 0.044 0.000 1.046 177 I HN 0.048 nan 8.210 nan 0.000 0.405 178 S N 0.335 115.969 115.700 -0.109 0.000 2.374 178 S HA -0.244 4.226 4.470 -0.000 0.000 0.227 178 S C 2.082 176.534 174.600 -0.245 0.000 1.037 178 S CA 1.468 59.559 58.200 -0.182 0.000 1.024 178 S CB -0.336 62.719 63.200 -0.240 0.000 0.861 178 S HN 0.278 nan 8.310 nan 0.000 0.456 179 R N 0.819 121.111 120.500 -0.347 0.000 2.081 179 R HA 0.134 4.474 4.340 -0.000 0.000 0.235 179 R C 2.285 178.469 176.300 -0.193 0.000 1.131 179 R CA 1.256 57.145 56.100 -0.351 0.000 0.960 179 R CB -0.349 29.663 30.300 -0.480 0.000 0.856 179 R HN 0.301 nan 8.270 nan 0.000 0.436 180 M N -0.227 119.295 119.600 -0.130 0.000 2.254 180 M HA -0.040 4.440 4.480 -0.000 0.000 0.265 180 M C 2.025 178.219 176.300 -0.178 0.000 1.066 180 M CA 1.267 56.477 55.300 -0.150 0.000 1.123 180 M CB -0.575 31.952 32.600 -0.121 0.000 1.388 180 M HN 0.164 nan 8.290 nan 0.000 0.425 181 L N -0.471 120.670 121.223 -0.138 0.000 2.093 181 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 181 L C 2.524 179.312 176.870 -0.137 0.000 1.085 181 L CA 1.122 55.889 54.840 -0.122 0.000 0.755 181 L CB -0.464 41.541 42.059 -0.091 0.000 0.904 181 L HN 0.379 nan 8.230 nan 0.000 0.435 182 Q N -0.406 119.305 119.800 -0.148 0.000 2.079 182 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 182 Q C 2.413 178.336 176.000 -0.129 0.000 0.974 182 Q CA 1.491 57.210 55.803 -0.140 0.000 0.840 182 Q CB -0.212 28.435 28.738 -0.151 0.000 0.898 182 Q HN 0.538 nan 8.270 nan 0.000 0.430 183 A N 1.007 123.742 122.820 -0.142 0.000 2.015 183 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 183 A C 2.253 179.744 177.584 -0.154 0.000 1.163 183 A CA 1.285 53.242 52.037 -0.133 0.000 0.646 183 A CB -0.584 18.330 19.000 -0.143 0.000 0.806 183 A HN 0.382 nan 8.150 nan 0.000 0.448 184 A N 0.131 122.835 122.820 -0.193 0.000 1.978 184 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 184 A C 1.654 179.177 177.584 -0.101 0.000 1.170 184 A CA 1.809 53.725 52.037 -0.201 0.000 0.636 184 A CB -0.522 18.358 19.000 -0.201 0.000 0.810 184 A HN 0.432 nan 8.150 nan 0.000 0.448 185 D N -0.159 120.200 120.400 -0.069 0.000 2.263 185 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 185 D C 1.818 178.187 176.300 0.115 0.000 0.971 185 D CA 1.317 55.327 54.000 0.016 0.000 0.867 185 D CB -0.109 40.648 40.800 -0.070 0.000 0.929 185 D HN 0.397 nan 8.370 nan 0.000 0.492 186 S N -0.417 115.304 115.700 0.035 0.000 2.527 186 S HA 0.102 4.572 4.470 -0.000 0.000 0.222 186 S C 0.969 175.573 174.600 0.006 0.000 0.985 186 S CA -0.061 58.157 58.200 0.030 0.000 0.921 186 S CB 0.473 63.675 63.200 0.003 0.000 0.772 186 S HN 0.190 nan 8.310 nan 0.000 0.529 187 L N 3.115 124.333 121.223 -0.009 0.000 2.312 187 L HA 0.319 4.659 4.340 -0.000 0.000 0.281 187 L C -1.922 174.967 176.870 0.031 0.000 1.070 187 L CA -1.994 52.849 54.840 0.005 0.000 0.805 187 L CB 0.821 42.862 42.059 -0.029 0.000 1.174 187 L HN -0.129 nan 8.230 nan 0.000 0.434 188 P HA 0.072 nan 4.420 nan 0.000 0.243 188 P C -0.681 176.657 177.300 0.065 0.000 1.668 188 P CA 0.168 63.293 63.100 0.043 0.000 0.898 188 P CB 0.030 31.749 31.700 0.032 0.000 1.637 189 V N -3.504 116.461 119.914 0.085 0.000 3.159 189 V HA 0.535 4.655 4.120 -0.000 0.000 0.308 189 V C -0.451 175.715 176.094 0.119 0.000 1.190 189 V CA -1.366 61.005 62.300 0.119 0.000 1.037 189 V CB 1.781 33.709 31.823 0.174 0.000 1.060 189 V HN -0.153 nan 8.190 nan 0.000 0.437 190 N N 1.454 120.244 118.700 0.150 0.000 2.518 190 N HA 0.644 5.383 4.740 -0.000 0.000 0.266 190 N C -0.756 174.927 175.510 0.288 0.000 1.196 190 N CA 0.113 53.254 53.050 0.151 0.000 0.947 190 N CB 1.323 39.976 38.487 0.277 0.000 1.098 190 N HN 0.744 nan 8.380 nan 0.000 0.450 191 I N -0.333 120.390 120.570 0.255 0.000 2.769 191 I HA 0.533 4.703 4.170 -0.000 0.000 0.298 191 I C 0.110 176.484 176.117 0.428 0.000 1.128 191 I CA -0.883 60.622 61.300 0.342 0.000 1.031 191 I CB 2.598 40.697 38.000 0.164 0.000 1.235 191 I HN 0.454 nan 8.210 nan 0.000 0.423 192 G N 5.339 114.377 108.800 0.396 0.000 2.740 192 G HA2 0.681 4.641 3.960 -0.000 0.000 0.296 192 G HA3 0.681 4.641 3.960 -0.000 0.000 0.296 192 G C -1.399 173.642 174.900 0.235 0.000 1.439 192 G CA -0.450 44.840 45.100 0.317 0.000 1.066 192 G HN 0.375 nan 8.290 nan 0.000 0.527 193 L N 1.058 122.389 121.223 0.180 0.000 2.358 193 L HA 0.655 4.995 4.340 -0.000 0.000 0.268 193 L C -0.163 176.785 176.870 0.129 0.000 1.032 193 L CA -1.010 53.935 54.840 0.175 0.000 0.805 193 L CB 1.764 43.898 42.059 0.126 0.000 1.253 193 L HN 0.214 nan 8.230 nan 0.000 0.452 194 L N 0.407 121.704 121.223 0.124 0.000 2.362 194 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 194 L C 0.304 177.217 176.870 0.070 0.000 1.002 194 L CA -0.518 54.373 54.840 0.086 0.000 0.818 194 L CB 1.873 43.976 42.059 0.075 0.000 1.298 194 L HN 0.662 nan 8.230 nan 0.000 0.420 195 G N 0.803 109.628 108.800 0.042 0.000 2.552 195 G HA2 0.316 4.276 3.960 -0.000 0.000 0.318 195 G HA3 0.316 4.276 3.960 -0.000 0.000 0.318 195 G C -1.034 173.855 174.900 -0.019 0.000 1.240 195 G CA -0.571 44.538 45.100 0.015 0.000 1.002 195 G HN 0.517 nan 8.290 nan 0.000 0.493 196 K N 0.088 120.436 120.400 -0.087 0.000 2.310 196 K HA 0.284 4.604 4.320 -0.000 0.000 0.290 196 K C 0.993 177.514 176.600 -0.132 0.000 1.077 196 K CA -0.054 56.124 56.287 -0.182 0.000 0.922 196 K CB 0.511 32.739 32.500 -0.453 0.000 1.057 196 K HN 0.455 nan 8.250 nan 0.000 0.479 197 G N 3.535 112.295 108.800 -0.067 0.000 3.189 197 G HA2 -0.054 3.905 3.960 -0.000 0.000 0.225 197 G HA3 -0.054 3.905 3.960 -0.000 0.000 0.225 197 G C -0.107 174.774 174.900 -0.031 0.000 1.159 197 G CA -0.357 44.718 45.100 -0.042 0.000 0.763 197 G HN 0.629 nan 8.290 nan 0.000 0.549 198 N N 0.863 119.540 118.700 -0.038 0.000 2.739 198 N HA 0.417 5.157 4.740 -0.000 0.000 0.266 198 N C -1.001 174.498 175.510 -0.019 0.000 1.168 198 N CA 0.153 53.211 53.050 0.012 0.000 1.055 198 N CB 1.290 39.846 38.487 0.115 0.000 1.393 198 N HN 0.000 nan 8.380 nan 0.000 0.514 199 V N -0.521 119.382 119.914 -0.018 0.000 3.077 199 V HA 0.244 4.364 4.120 -0.000 0.000 0.299 199 V C 0.425 176.513 176.094 -0.011 0.000 1.276 199 V CA -0.849 61.439 62.300 -0.020 0.000 0.993 199 V CB 2.028 33.828 31.823 -0.039 0.000 1.076 199 V HN 0.294 nan 8.190 nan 0.000 0.434 200 S N 0.559 116.255 115.700 -0.007 0.000 2.524 200 S HA 0.048 4.518 4.470 -0.000 0.000 0.216 200 S C 0.579 175.174 174.600 -0.008 0.000 0.987 200 S CA 0.349 58.545 58.200 -0.005 0.000 0.909 200 S CB 0.023 63.222 63.200 -0.002 0.000 0.781 200 S HN 0.805 nan 8.310 nan 0.000 0.521 201 Q N 1.718 121.511 119.800 -0.011 0.000 2.368 201 Q HA 0.338 4.678 4.340 -0.000 0.000 0.256 201 Q C -2.289 173.704 176.000 -0.013 0.000 0.980 201 Q CA -2.268 53.528 55.803 -0.011 0.000 0.887 201 Q CB 1.349 30.080 28.738 -0.011 0.000 1.221 201 Q HN -0.066 nan 8.270 nan 0.000 0.458 202 P HA -0.163 nan 4.420 nan 0.000 0.216 202 P C 0.145 177.439 177.300 -0.011 0.000 1.153 202 P CA 1.241 64.334 63.100 -0.012 0.000 0.858 202 P CB 0.342 32.036 31.700 -0.010 0.000 0.789 203 D N -0.759 119.635 120.400 -0.010 0.000 2.221 203 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 203 D C 1.873 178.167 176.300 -0.010 0.000 0.982 203 D CA 1.386 55.381 54.000 -0.008 0.000 0.857 203 D CB -0.468 40.328 40.800 -0.007 0.000 0.934 203 D HN 0.128 nan 8.370 nan 0.000 0.475 204 A N 0.149 122.960 122.820 -0.014 0.000 2.066 204 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 204 A C 2.281 179.852 177.584 -0.022 0.000 1.157 204 A CA 0.567 52.593 52.037 -0.019 0.000 0.670 204 A CB -0.285 18.698 19.000 -0.027 0.000 0.804 204 A HN 0.191 nan 8.150 nan 0.000 0.453 205 L N -1.660 119.551 121.223 -0.020 0.000 2.168 205 L HA 0.003 4.343 4.340 -0.000 0.000 0.203 205 L C 2.682 179.547 176.870 -0.009 0.000 1.078 205 L CA 0.529 55.358 54.840 -0.018 0.000 0.780 205 L CB -0.498 41.550 42.059 -0.019 0.000 0.939 205 L HN 0.272 nan 8.230 nan 0.000 0.451 206 R N 0.664 121.160 120.500 -0.007 0.000 2.105 206 R HA -0.196 4.144 4.340 -0.000 0.000 0.239 206 R C 2.084 178.385 176.300 0.001 0.000 1.135 206 R CA 1.615 57.714 56.100 -0.003 0.000 0.967 206 R CB -0.347 29.951 30.300 -0.003 0.000 0.861 206 R HN 0.490 nan 8.270 nan 0.000 0.442 207 E N 0.743 120.943 120.200 0.000 0.000 2.077 207 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 207 E C 2.137 178.743 176.600 0.009 0.000 0.989 207 E CA 1.081 57.484 56.400 0.005 0.000 0.800 207 E CB -0.067 29.637 29.700 0.006 0.000 0.746 207 E HN 0.426 nan 8.360 nan 0.000 0.452 208 Q N 0.390 120.194 119.800 0.007 0.000 2.124 208 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 208 Q C 2.387 178.397 176.000 0.017 0.000 0.977 208 Q CA 1.384 57.195 55.803 0.013 0.000 0.850 208 Q CB 0.003 28.744 28.738 0.005 0.000 0.901 208 Q HN 0.175 nan 8.270 nan 0.000 0.429 209 V N 0.635 120.557 119.914 0.014 0.000 2.453 209 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 209 V C 2.176 178.281 176.094 0.018 0.000 1.048 209 V CA 1.617 63.928 62.300 0.019 0.000 1.049 209 V CB -0.792 31.039 31.823 0.014 0.000 0.672 209 V HN 0.350 nan 8.190 nan 0.000 0.457 210 A N -0.007 122.820 122.820 0.013 0.000 2.015 210 A HA 0.056 4.376 4.320 -0.000 0.000 0.219 210 A C 2.288 179.878 177.584 0.010 0.000 1.163 210 A CA 1.603 53.647 52.037 0.010 0.000 0.646 210 A CB -0.463 18.541 19.000 0.007 0.000 0.806 210 A HN 0.544 nan 8.150 nan 0.000 0.448 211 A N -2.117 120.710 122.820 0.012 0.000 2.119 211 A HA 0.409 4.729 4.320 -0.000 0.000 0.216 211 A C 1.728 179.316 177.584 0.006 0.000 1.152 211 A CA 1.636 53.678 52.037 0.008 0.000 0.708 211 A CB -0.349 18.659 19.000 0.014 0.000 0.805 211 A HN 1.545 nan 8.150 nan 0.000 0.460 212 G N -1.698 107.113 108.800 0.018 0.000 3.033 212 G HA2 0.018 3.978 3.960 -0.000 0.000 0.208 212 G HA3 0.018 3.978 3.960 -0.000 0.000 0.208 212 G C 0.358 175.286 174.900 0.047 0.000 1.006 212 G CA 0.071 45.186 45.100 0.025 0.000 0.808 212 G HN 1.355 nan 8.290 nan 0.000 0.499 213 V N 1.408 121.351 119.914 0.048 0.000 2.843 213 V HA 0.554 4.674 4.120 -0.000 0.000 0.305 213 V C 1.722 177.861 176.094 0.075 0.000 1.065 213 V CA 0.282 62.621 62.300 0.065 0.000 1.116 213 V CB 1.067 32.924 31.823 0.057 0.000 0.968 213 V HN 0.841 nan 8.190 nan 0.000 0.487 214 I N 0.350 120.978 120.570 0.097 0.000 3.883 214 I HA 0.731 4.901 4.170 -0.000 0.000 0.326 214 I C 0.702 176.885 176.117 0.109 0.000 1.283 214 I CA 0.429 61.793 61.300 0.107 0.000 1.161 214 I CB -0.166 37.912 38.000 0.130 0.000 1.012 214 I HN 0.886 nan 8.210 nan 0.000 0.421 215 G N 1.171 110.027 108.800 0.093 0.000 2.559 215 G HA2 0.622 4.582 3.960 -0.000 0.000 0.291 215 G HA3 0.622 4.582 3.960 -0.000 0.000 0.291 215 G C -1.941 172.988 174.900 0.048 0.000 1.424 215 G CA -0.745 44.407 45.100 0.086 0.000 0.786 215 G HN 0.073 nan 8.290 nan 0.000 0.485 216 L N 0.437 121.671 121.223 0.018 0.000 2.381 216 L HA 0.564 4.904 4.340 -0.000 0.000 0.274 216 L C -0.482 176.371 176.870 -0.028 0.000 0.988 216 L CA -1.056 53.782 54.840 -0.003 0.000 0.824 216 L CB 2.415 44.466 42.059 -0.015 0.000 1.263 216 L HN 0.507 nan 8.230 nan 0.000 0.410 217 K N 3.773 124.170 120.400 -0.005 0.000 2.211 217 K HA 0.577 4.897 4.320 -0.000 0.000 0.275 217 K C -1.115 175.518 176.600 0.055 0.000 1.024 217 K CA 0.019 56.303 56.287 -0.006 0.000 0.887 217 K CB 0.938 33.484 32.500 0.077 0.000 1.084 217 K HN 0.442 nan 8.250 nan 0.000 0.463 218 I N 4.927 125.512 120.570 0.025 0.000 2.330 218 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 218 I C -0.334 175.883 176.117 0.167 0.000 1.001 218 I CA -0.460 60.892 61.300 0.087 0.000 1.193 218 I CB 0.925 38.936 38.000 0.020 0.000 1.345 218 I HN 0.583 nan 8.210 nan 0.000 0.461 219 H N 6.347 125.516 119.070 0.165 0.000 2.538 219 H HA 0.195 4.751 4.556 -0.000 0.000 0.353 219 H C 0.590 175.921 175.328 0.004 0.000 1.109 219 H CA -0.447 55.655 56.048 0.090 0.000 1.192 219 H CB 1.895 31.754 29.762 0.162 0.000 1.555 219 H HN 0.822 nan 8.280 nan 0.000 0.518 220 E N 2.395 122.433 120.200 -0.270 0.000 2.209 220 E HA -0.213 4.136 4.350 -0.000 0.000 0.196 220 E C 0.142 176.725 176.600 -0.027 0.000 0.993 220 E CA 1.683 57.997 56.400 -0.143 0.000 0.819 220 E CB 0.156 29.711 29.700 -0.242 0.000 0.745 220 E HN 0.485 nan 8.360 nan 0.000 0.477 221 D N 0.151 120.609 120.400 0.096 0.000 2.263 221 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 221 D C 0.727 176.935 176.300 -0.153 0.000 0.971 221 D CA 0.976 54.932 54.000 -0.072 0.000 0.867 221 D CB -0.243 40.435 40.800 -0.203 0.000 0.929 221 D HN 0.482 nan 8.370 nan 0.000 0.492 222 W N 0.345 121.708 121.300 0.106 0.000 3.278 222 W HA 0.368 5.028 4.660 -0.000 0.000 0.308 222 W C 0.587 177.125 176.519 0.032 0.000 1.253 222 W CA 0.036 57.416 57.345 0.060 0.000 1.759 222 W CB 0.862 30.359 29.460 0.061 0.000 1.093 222 W HN -0.062 nan 8.180 nan 0.000 0.648 223 G N 1.241 110.156 108.800 0.192 0.000 2.860 223 G HA2 0.080 4.039 3.960 -0.000 0.000 0.547 223 G HA3 0.080 4.039 3.960 -0.000 0.000 0.547 223 G C -0.379 174.567 174.900 0.077 0.000 1.103 223 G CA -0.616 44.542 45.100 0.097 0.000 1.126 223 G HN 0.381 nan 8.290 nan 0.000 0.490 224 A N 2.503 125.339 122.820 0.026 0.000 3.126 224 A HA 0.712 5.032 4.320 -0.000 0.000 0.268 224 A C 1.166 178.752 177.584 0.004 0.000 1.605 224 A CA 0.765 52.812 52.037 0.016 0.000 1.305 224 A CB -0.411 18.582 19.000 -0.012 0.000 1.160 224 A HN 2.030 nan 8.150 nan 0.000 0.609 225 T N -1.936 112.626 114.554 0.013 0.000 2.918 225 T HA 0.465 4.815 4.350 -0.000 0.000 0.283 225 T C -1.873 172.834 174.700 0.011 0.000 1.001 225 T CA -1.744 60.361 62.100 0.007 0.000 1.041 225 T CB 1.213 70.084 68.868 0.004 0.000 1.028 225 T HN 0.085 nan 8.240 nan 0.000 0.511 226 P HA -0.097 nan 4.420 nan 0.000 0.216 226 P C 1.675 178.976 177.300 0.001 0.000 1.153 226 P CA 1.624 64.727 63.100 0.005 0.000 0.858 226 P CB -0.258 31.442 31.700 0.000 0.000 0.789 227 A N -0.182 122.638 122.820 0.000 0.000 1.877 227 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 227 A C 2.324 179.908 177.584 -0.000 0.000 1.186 227 A CA 2.225 54.261 52.037 -0.001 0.000 0.620 227 A CB -1.625 17.374 19.000 -0.001 0.000 0.822 227 A HN 0.195 nan 8.150 nan 0.000 0.443 228 A N -0.022 122.801 122.820 0.005 0.000 1.858 228 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 228 A C 2.139 179.724 177.584 0.002 0.000 1.190 228 A CA 1.546 53.587 52.037 0.007 0.000 0.617 228 A CB -0.712 18.301 19.000 0.021 0.000 0.827 228 A HN 0.485 nan 8.150 nan 0.000 0.443 229 I N -0.093 120.479 120.570 0.003 0.000 2.118 229 I HA -0.325 3.845 4.170 -0.000 0.000 0.241 229 I C 2.394 178.503 176.117 -0.013 0.000 1.070 229 I CA 2.100 63.396 61.300 -0.006 0.000 1.327 229 I CB -0.468 37.530 38.000 -0.003 0.000 1.034 229 I HN 0.440 nan 8.210 nan 0.000 0.405 230 D N 0.118 120.511 120.400 -0.011 0.000 2.123 230 D HA -0.246 4.394 4.640 -0.000 0.000 0.196 230 D C 2.281 178.573 176.300 -0.014 0.000 0.992 230 D CA 1.429 55.421 54.000 -0.013 0.000 0.833 230 D CB -0.262 40.531 40.800 -0.011 0.000 0.954 230 D HN 0.433 nan 8.370 nan 0.000 0.455 231 C N 0.021 119.315 119.300 -0.011 0.000 2.432 231 C HA 0.029 4.489 4.460 -0.000 0.000 0.277 231 C C 2.903 177.883 174.990 -0.015 0.000 1.249 231 C CA 1.635 60.645 59.018 -0.012 0.000 1.725 231 C CB -1.487 26.247 27.740 -0.010 0.000 2.028 231 C HN 0.446 nan 8.230 nan 0.000 0.477 232 A N 0.188 122.998 122.820 -0.017 0.000 1.883 232 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 232 A C 2.190 179.759 177.584 -0.024 0.000 1.186 232 A CA 1.900 53.924 52.037 -0.021 0.000 0.624 232 A CB -0.813 18.173 19.000 -0.024 0.000 0.822 232 A HN 0.672 nan 8.150 nan 0.000 0.444 233 L N -0.673 120.533 121.223 -0.027 0.000 2.131 233 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 233 L C 2.776 179.631 176.870 -0.024 0.000 1.092 233 L CA 1.701 56.523 54.840 -0.030 0.000 0.759 233 L CB -0.783 41.257 42.059 -0.032 0.000 0.903 233 L HN 0.378 nan 8.230 nan 0.000 0.435 234 T N -0.747 113.795 114.554 -0.020 0.000 2.708 234 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 234 T C 1.978 176.669 174.700 -0.015 0.000 1.037 234 T CA 1.372 63.462 62.100 -0.016 0.000 1.146 234 T CB -0.172 68.688 68.868 -0.014 0.000 0.865 234 T HN 0.070 nan 8.240 nan 0.000 0.435 235 V N 1.723 121.628 119.914 -0.015 0.000 2.358 235 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 235 V C 2.884 178.971 176.094 -0.013 0.000 1.047 235 V CA 1.534 63.826 62.300 -0.012 0.000 1.035 235 V CB -1.260 30.556 31.823 -0.012 0.000 0.658 235 V HN 0.517 nan 8.190 nan 0.000 0.452 236 A N 0.043 122.853 122.820 -0.017 0.000 1.892 236 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 236 A C 2.034 179.606 177.584 -0.020 0.000 1.188 236 A CA 2.227 54.252 52.037 -0.020 0.000 0.631 236 A CB -0.738 18.244 19.000 -0.030 0.000 0.822 236 A HN 0.524 nan 8.150 nan 0.000 0.447 237 D N -0.551 119.837 120.400 -0.021 0.000 2.182 237 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 237 D C 1.958 178.249 176.300 -0.016 0.000 0.986 237 D CA 1.383 55.371 54.000 -0.020 0.000 0.847 237 D CB -0.254 40.534 40.800 -0.019 0.000 0.942 237 D HN 0.684 nan 8.370 nan 0.000 0.467 238 E N -0.331 119.861 120.200 -0.013 0.000 2.046 238 E HA 0.004 4.354 4.350 -0.000 0.000 0.190 238 E C 1.847 178.442 176.600 -0.008 0.000 0.982 238 E CA 0.631 57.025 56.400 -0.010 0.000 0.800 238 E CB 0.040 29.735 29.700 -0.008 0.000 0.756 238 E HN 0.275 nan 8.360 nan 0.000 0.449 239 M N 0.418 120.014 119.600 -0.007 0.000 2.495 239 M HA 0.066 4.546 4.480 -0.000 0.000 0.237 239 M C -0.166 176.133 176.300 -0.001 0.000 1.131 239 M CA 0.056 55.355 55.300 -0.002 0.000 1.032 239 M CB 0.418 33.020 32.600 0.002 0.000 1.513 239 M HN -0.139 nan 8.290 nan 0.000 0.488 240 D N 2.716 123.111 120.400 -0.008 0.000 2.746 240 D HA -0.147 4.493 4.640 -0.000 0.000 0.241 240 D C -1.067 175.231 176.300 -0.003 0.000 1.140 240 D CA 0.601 54.594 54.000 -0.011 0.000 0.707 240 D CB -0.857 39.935 40.800 -0.013 0.000 1.034 240 D HN 0.546 nan 8.370 nan 0.000 0.423 241 I N -2.573 117.994 120.570 -0.005 0.000 3.042 241 I HA 0.704 4.874 4.170 -0.000 0.000 0.310 241 I C -0.042 176.065 176.117 -0.016 0.000 1.117 241 I CA -1.193 60.112 61.300 0.008 0.000 1.003 241 I CB 1.554 39.568 38.000 0.023 0.000 1.228 241 I HN -0.135 nan 8.210 nan 0.000 0.443 242 Q N 1.578 121.372 119.800 -0.011 0.000 2.214 242 Q HA 0.715 5.055 4.340 -0.000 0.000 0.251 242 Q C -1.441 174.530 176.000 -0.048 0.000 0.936 242 Q CA -0.592 55.165 55.803 -0.077 0.000 0.894 242 Q CB 1.931 30.523 28.738 -0.243 0.000 1.252 242 Q HN 0.640 nan 8.270 nan 0.000 0.448 243 V N 2.308 122.166 119.914 -0.094 0.000 2.409 243 V HA 0.811 4.931 4.120 -0.000 0.000 0.291 243 V C -0.755 175.216 176.094 -0.205 0.000 1.020 243 V CA -0.720 61.513 62.300 -0.112 0.000 0.848 243 V CB 1.347 33.113 31.823 -0.095 0.000 0.990 243 V HN 0.848 nan 8.190 nan 0.000 0.430 244 A N 5.425 128.049 122.820 -0.327 0.000 2.288 244 A HA 0.873 5.193 4.320 -0.000 0.000 0.320 244 A C -1.044 176.138 177.584 -0.671 0.000 1.217 244 A CA -0.437 51.136 52.037 -0.773 0.000 0.840 244 A CB 1.130 19.421 19.000 -1.182 0.000 1.179 244 A HN 0.808 nan 8.150 nan 0.000 0.504 245 L N 1.956 122.799 121.223 -0.634 0.000 2.346 245 L HA 0.620 4.960 4.340 -0.000 0.000 0.274 245 L C -0.480 176.284 176.870 -0.176 0.000 1.007 245 L CA -0.244 54.415 54.840 -0.301 0.000 0.818 245 L CB 1.739 43.702 42.059 -0.160 0.000 1.284 245 L HN 0.783 nan 8.230 nan 0.000 0.424 246 H N 2.842 121.850 119.070 -0.104 0.000 2.953 246 H HA 0.525 5.081 4.556 -0.000 0.000 0.290 246 H C -0.477 174.812 175.328 -0.065 0.000 1.113 246 H CA -0.358 55.706 56.048 0.026 0.000 1.454 246 H CB 0.886 30.663 29.762 0.025 0.000 1.525 246 H HN 0.866 nan 8.280 nan 0.000 0.505 247 S N 2.502 118.306 115.700 0.173 0.000 2.626 247 S HA -0.051 4.419 4.470 -0.000 0.000 0.257 247 S C 0.432 174.979 174.600 -0.089 0.000 1.288 247 S CA -0.775 57.448 58.200 0.038 0.000 0.980 247 S CB 0.895 64.132 63.200 0.063 0.000 0.975 247 S HN 0.744 nan 8.310 nan 0.000 0.577 248 D N 0.437 120.626 120.400 -0.352 0.000 2.398 248 D HA 0.183 4.823 4.640 -0.000 0.000 0.250 248 D C 0.987 176.940 176.300 -0.579 0.000 1.287 248 D CA 0.099 53.831 54.000 -0.447 0.000 0.992 248 D CB -0.171 40.399 40.800 -0.382 0.000 1.071 248 D HN 0.538 nan 8.370 nan 0.000 0.514 249 T N 3.519 117.890 114.554 -0.305 0.000 2.833 249 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 249 T C 1.953 176.515 174.700 -0.231 0.000 1.054 249 T CA 0.635 62.620 62.100 -0.191 0.000 1.135 249 T CB 0.012 68.887 68.868 0.012 0.000 0.869 249 T HN 0.427 nan 8.240 nan 0.000 0.466 250 L N 0.867 121.868 121.223 -0.370 0.000 2.456 250 L HA 0.030 4.370 4.340 -0.000 0.000 0.224 250 L C 0.803 177.578 176.870 -0.159 0.000 1.148 250 L CA 0.282 54.931 54.840 -0.318 0.000 0.825 250 L CB -0.688 41.141 42.059 -0.384 0.000 0.937 250 L HN 0.276 nan 8.230 nan 0.000 0.450 251 N N -0.043 118.580 118.700 -0.128 0.000 2.741 251 N HA -0.268 4.472 4.740 -0.000 0.000 0.251 251 N C 1.173 176.573 175.510 -0.184 0.000 1.112 251 N CA 1.311 54.325 53.050 -0.060 0.000 0.750 251 N CB -0.982 37.514 38.487 0.014 0.000 1.119 251 N HN 0.584 nan 8.380 nan 0.000 0.561 252 E N 0.743 120.846 120.200 -0.162 0.000 2.058 252 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 252 E C 1.550 178.070 176.600 -0.132 0.000 0.997 252 E CA 1.969 58.281 56.400 -0.146 0.000 0.801 252 E CB 0.038 29.655 29.700 -0.138 0.000 0.746 252 E HN 0.523 nan 8.360 nan 0.000 0.450 253 S N -1.210 114.426 115.700 -0.106 0.000 2.535 253 S HA 0.383 4.853 4.470 -0.000 0.000 0.214 253 S C 0.543 175.083 174.600 -0.100 0.000 0.980 253 S CA 0.104 58.255 58.200 -0.081 0.000 0.907 253 S CB 1.152 64.327 63.200 -0.042 0.000 0.790 253 S HN 0.468 nan 8.310 nan 0.000 0.510 254 G N 0.014 108.724 108.800 -0.151 0.000 2.341 254 G HA2 0.389 4.349 3.960 -0.000 0.000 0.293 254 G HA3 0.389 4.349 3.960 -0.000 0.000 0.293 254 G C -1.276 173.478 174.900 -0.245 0.000 1.298 254 G CA -1.030 43.923 45.100 -0.244 0.000 0.868 254 G HN 0.108 nan 8.290 nan 0.000 0.540 255 F N -1.036 118.882 119.950 -0.055 0.000 2.377 255 F HA 0.596 5.123 4.527 -0.000 0.000 0.335 255 F C 1.871 177.187 175.800 -0.806 0.000 1.099 255 F CA 0.130 57.985 58.000 -0.241 0.000 1.072 255 F CB 0.880 39.809 39.000 -0.119 0.000 1.417 255 F HN 0.345 nan 8.300 nan 0.000 0.495 256 V N 1.392 120.939 119.914 -0.611 0.000 2.392 256 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 256 V C 2.170 178.109 176.094 -0.259 0.000 1.059 256 V CA 2.459 64.403 62.300 -0.593 0.000 1.051 256 V CB -0.630 31.083 31.823 -0.182 0.000 0.658 256 V HN 0.822 nan 8.190 nan 0.000 0.455 257 E N -1.062 119.068 120.200 -0.116 0.000 2.204 257 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 257 E C 1.592 178.163 176.600 -0.049 0.000 0.989 257 E CA 1.663 58.031 56.400 -0.054 0.000 0.824 257 E CB -0.542 29.156 29.700 -0.003 0.000 0.756 257 E HN 0.694 nan 8.360 nan 0.000 0.477 258 D N 0.919 121.286 120.400 -0.055 0.000 2.120 258 D HA -0.057 4.583 4.640 -0.000 0.000 0.202 258 D C 1.792 178.070 176.300 -0.038 0.000 0.972 258 D CA 1.495 55.475 54.000 -0.033 0.000 0.837 258 D CB -0.095 40.690 40.800 -0.025 0.000 0.989 258 D HN 0.159 nan 8.370 nan 0.000 0.469 259 T N 1.694 116.217 114.554 -0.051 0.000 2.720 259 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 259 T C 2.217 176.896 174.700 -0.036 0.000 1.037 259 T CA 0.615 62.724 62.100 0.015 0.000 1.144 259 T CB -0.262 68.687 68.868 0.136 0.000 0.864 259 T HN 0.076 nan 8.240 nan 0.000 0.444 260 L N 0.422 121.593 121.223 -0.086 0.000 2.131 260 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 260 L C 2.841 179.656 176.870 -0.092 0.000 1.092 260 L CA 1.048 55.810 54.840 -0.130 0.000 0.759 260 L CB -0.461 41.477 42.059 -0.202 0.000 0.903 260 L HN 0.241 nan 8.230 nan 0.000 0.435 261 A N -0.372 122.414 122.820 -0.057 0.000 1.929 261 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 261 A C 2.510 180.077 177.584 -0.028 0.000 1.176 261 A CA 1.300 53.317 52.037 -0.034 0.000 0.628 261 A CB -0.511 18.478 19.000 -0.019 0.000 0.816 261 A HN 0.368 nan 8.150 nan 0.000 0.444 262 A N 0.309 123.114 122.820 -0.025 0.000 1.877 262 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 262 A C 2.043 179.612 177.584 -0.026 0.000 1.186 262 A CA 1.463 53.489 52.037 -0.019 0.000 0.620 262 A CB -0.667 18.328 19.000 -0.009 0.000 0.822 262 A HN 0.472 nan 8.150 nan 0.000 0.443 263 I N -0.247 120.300 120.570 -0.037 0.000 2.399 263 I HA -0.218 3.952 4.170 -0.000 0.000 0.254 263 I C 1.819 177.912 176.117 -0.040 0.000 1.146 263 I CA 1.028 62.300 61.300 -0.046 0.000 1.412 263 I CB -0.775 37.184 38.000 -0.069 0.000 1.076 263 I HN 0.520 nan 8.210 nan 0.000 0.432 264 G N 0.965 109.743 108.800 -0.037 0.000 2.341 264 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.292 264 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.292 264 G C 1.007 175.894 174.900 -0.021 0.000 1.021 264 G CA 0.504 45.589 45.100 -0.025 0.000 0.905 264 G HN 0.938 nan 8.290 nan 0.000 0.508 265 G N -1.849 106.935 108.800 -0.026 0.000 2.168 265 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.263 265 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.263 265 G C 0.563 175.453 174.900 -0.017 0.000 0.977 265 G CA 1.120 46.213 45.100 -0.012 0.000 0.659 265 G HN 1.019 nan 8.290 nan 0.000 0.533 266 R N 0.404 120.888 120.500 -0.027 0.000 2.531 266 R HA 0.498 4.838 4.340 -0.000 0.000 0.273 266 R C 0.522 176.799 176.300 -0.038 0.000 1.070 266 R CA -0.057 56.025 56.100 -0.030 0.000 1.112 266 R CB 0.433 30.714 30.300 -0.032 0.000 1.049 266 R HN 0.135 nan 8.270 nan 0.000 0.508 267 T N 2.659 117.188 114.554 -0.041 0.000 2.908 267 T HA 0.177 4.527 4.350 -0.000 0.000 0.301 267 T C 0.114 174.776 174.700 -0.064 0.000 1.019 267 T CA 0.557 62.626 62.100 -0.052 0.000 1.152 267 T CB -0.016 68.817 68.868 -0.058 0.000 0.966 267 T HN 0.372 nan 8.240 nan 0.000 0.540 268 I N 1.780 122.310 120.570 -0.067 0.000 2.842 268 I HA 0.257 4.427 4.170 -0.000 0.000 0.297 268 I C -0.948 175.142 176.117 -0.046 0.000 1.380 268 I CA -0.875 60.380 61.300 -0.075 0.000 1.018 268 I CB 2.171 40.122 38.000 -0.081 0.000 1.311 268 I HN 0.747 nan 8.210 nan 0.000 0.439 269 H N 5.343 124.289 119.070 -0.207 0.000 2.556 269 H HA 0.451 5.007 4.556 -0.000 0.000 0.310 269 H C -0.964 174.211 175.328 -0.256 0.000 1.057 269 H CA -0.570 55.352 56.048 -0.210 0.000 1.264 269 H CB 1.040 30.665 29.762 -0.229 0.000 1.404 269 H HN 0.604 nan 8.280 nan 0.000 0.462 270 T N 3.398 117.991 114.554 0.065 0.000 2.743 270 T HA 0.205 4.555 4.350 -0.000 0.000 0.293 270 T C -0.096 174.591 174.700 -0.021 0.000 0.945 270 T CA -0.774 61.273 62.100 -0.089 0.000 1.030 270 T CB 0.380 69.208 68.868 -0.067 0.000 0.912 270 T HN 0.202 nan 8.240 nan 0.000 0.483 271 F N 3.562 123.285 119.950 -0.378 0.000 2.418 271 F HA 0.252 4.779 4.527 -0.000 0.000 0.341 271 F C 1.456 176.831 175.800 -0.708 0.000 1.120 271 F CA -1.028 56.620 58.000 -0.586 0.000 1.232 271 F CB -0.160 38.318 39.000 -0.869 0.000 1.175 271 F HN 0.926 nan 8.300 nan 0.000 0.569 272 H N -0.720 118.504 119.070 0.256 0.000 2.166 272 H HA -0.200 4.356 4.556 -0.000 0.000 0.323 272 H C 0.827 176.204 175.328 0.081 0.000 0.936 272 H CA 0.499 56.626 56.048 0.131 0.000 1.073 272 H CB -2.454 27.350 29.762 0.070 0.000 1.592 272 H HN 0.531 nan 8.280 nan 0.000 0.346 273 T N -0.929 113.666 114.554 0.068 0.000 2.996 273 T HA -0.216 4.134 4.350 -0.000 0.000 0.271 273 T C 1.782 176.606 174.700 0.206 0.000 1.126 273 T CA 1.308 63.404 62.100 -0.008 0.000 1.103 273 T CB 0.053 68.672 68.868 -0.414 0.000 0.870 273 T HN 0.697 nan 8.240 nan 0.000 0.528 274 E N 0.725 121.123 120.200 0.331 0.000 2.076 274 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 274 E C 1.925 178.610 176.600 0.141 0.000 0.979 274 E CA 1.190 57.757 56.400 0.278 0.000 0.807 274 E CB -0.194 29.644 29.700 0.231 0.000 0.761 274 E HN 0.549 nan 8.360 nan 0.000 0.454 275 G N -0.131 108.747 108.800 0.130 0.000 2.253 275 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.209 275 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.209 275 G C 1.275 176.160 174.900 -0.024 0.000 0.997 275 G CA 0.699 45.830 45.100 0.051 0.000 0.640 275 G HN 0.545 nan 8.290 nan 0.000 0.496 276 A N 0.611 123.420 122.820 -0.019 0.000 1.972 276 A HA 0.375 4.695 4.320 -0.000 0.000 0.219 276 A C 2.531 180.083 177.584 -0.053 0.000 1.169 276 A CA 2.403 54.420 52.037 -0.034 0.000 0.635 276 A CB -0.656 18.312 19.000 -0.053 0.000 0.810 276 A HN 1.575 nan 8.150 nan 0.000 0.446 277 G N -1.756 106.948 108.800 -0.159 0.000 2.880 277 G HA2 0.451 4.411 3.960 -0.000 0.000 0.209 277 G HA3 0.451 4.411 3.960 -0.000 0.000 0.209 277 G C 0.616 175.000 174.900 -0.859 0.000 1.157 277 G CA 0.724 45.571 45.100 -0.421 0.000 0.779 277 G HN 1.543 nan 8.290 nan 0.000 0.539 278 G N -2.178 106.236 108.800 -0.643 0.000 2.307 278 G HA2 0.584 4.544 3.960 -0.000 0.000 0.348 278 G HA3 0.584 4.544 3.960 -0.000 0.000 0.348 278 G C -0.320 174.432 174.900 -0.247 0.000 1.603 278 G CA 0.049 44.798 45.100 -0.586 0.000 0.961 278 G HN 1.762 nan 8.290 nan 0.000 0.686 279 G N 0.062 108.829 108.800 -0.055 0.000 2.335 279 G HA2 0.448 4.408 3.960 -0.000 0.000 0.592 279 G HA3 0.448 4.408 3.960 -0.000 0.000 0.592 279 G C -0.491 174.428 174.900 0.031 0.000 1.442 279 G CA -0.406 44.710 45.100 0.027 0.000 0.976 279 G HN 1.366 nan 8.290 nan 0.000 0.652 280 H N 0.085 119.191 119.070 0.059 0.000 3.214 280 H HA 0.263 4.819 4.556 -0.000 0.000 0.291 280 H C 1.117 176.480 175.328 0.059 0.000 0.926 280 H CA 1.505 57.592 56.048 0.066 0.000 1.409 280 H CB 0.648 30.462 29.762 0.086 0.000 1.406 280 H HN 0.975 nan 8.280 nan 0.000 0.561 281 A N 6.859 129.771 122.820 0.154 0.000 2.320 281 A HA 0.262 4.582 4.320 -0.000 0.000 0.287 281 A C -1.553 176.095 177.584 0.107 0.000 1.181 281 A CA -1.181 50.906 52.037 0.083 0.000 0.831 281 A CB 0.574 19.612 19.000 0.064 0.000 1.102 281 A HN 0.562 nan 8.150 nan 0.000 0.513 282 P HA 0.178 nan 4.420 nan 0.000 0.290 282 P C -0.741 176.551 177.300 -0.014 0.000 1.519 282 P CA 0.129 63.174 63.100 -0.093 0.000 1.189 282 P CB 0.548 32.026 31.700 -0.371 0.000 1.569 283 D N -0.498 119.936 120.400 0.057 0.000 2.772 283 D HA 0.054 4.694 4.640 -0.000 0.000 0.272 283 D C 1.069 177.422 176.300 0.088 0.000 1.314 283 D CA -0.689 53.350 54.000 0.065 0.000 0.835 283 D CB -0.424 40.407 40.800 0.052 0.000 1.080 283 D HN -0.047 nan 8.370 nan 0.000 0.482 284 I N 0.266 120.904 120.570 0.113 0.000 2.756 284 I HA 0.023 4.193 4.170 -0.000 0.000 0.262 284 I C 1.490 177.673 176.117 0.110 0.000 1.225 284 I CA 0.618 61.995 61.300 0.128 0.000 1.472 284 I CB -0.145 37.943 38.000 0.147 0.000 1.094 284 I HN 0.251 nan 8.210 nan 0.000 0.454 285 I N 0.299 120.942 120.570 0.122 0.000 2.756 285 I HA -0.248 3.922 4.170 -0.000 0.000 0.262 285 I C 2.062 178.273 176.117 0.157 0.000 1.225 285 I CA 1.519 62.922 61.300 0.172 0.000 1.472 285 I CB -0.281 37.829 38.000 0.183 0.000 1.094 285 I HN 0.455 nan 8.210 nan 0.000 0.454 286 T N -1.398 113.228 114.554 0.119 0.000 3.025 286 T HA -0.015 4.335 4.350 -0.000 0.000 0.270 286 T C 1.839 176.645 174.700 0.175 0.000 1.126 286 T CA 0.774 62.948 62.100 0.123 0.000 1.105 286 T CB -0.419 68.510 68.868 0.102 0.000 0.884 286 T HN 0.376 nan 8.240 nan 0.000 0.522 287 A N 1.500 124.405 122.820 0.142 0.000 1.933 287 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 287 A C 2.719 180.421 177.584 0.196 0.000 1.175 287 A CA 1.462 53.586 52.037 0.145 0.000 0.628 287 A CB -1.604 17.410 19.000 0.023 0.000 0.814 287 A HN 1.025 nan 8.150 nan 0.000 0.444 288 C N -1.401 117.967 119.300 0.113 0.000 2.434 288 C HA 0.309 4.769 4.460 -0.000 0.000 0.298 288 C C 2.328 177.368 174.990 0.085 0.000 1.495 288 C CA 0.112 59.176 59.018 0.076 0.000 1.756 288 C CB -1.928 25.887 27.740 0.125 0.000 1.647 288 C HN 0.654 nan 8.230 nan 0.000 0.579 289 A N -0.764 122.108 122.820 0.086 0.000 2.251 289 A HA 0.184 4.504 4.320 -0.000 0.000 0.209 289 A C 0.801 178.252 177.584 -0.222 0.000 1.187 289 A CA 0.051 52.043 52.037 -0.076 0.000 0.823 289 A CB -0.556 18.355 19.000 -0.148 0.000 0.846 289 A HN 0.868 nan 8.150 nan 0.000 0.486 290 H N -0.178 118.889 119.070 -0.004 0.000 2.472 290 H HA 0.191 4.747 4.556 -0.000 0.000 0.335 290 H C -1.702 173.615 175.328 -0.018 0.000 1.136 290 H CA -1.623 54.418 56.048 -0.011 0.000 1.264 290 H CB 1.370 31.124 29.762 -0.015 0.000 1.486 290 H HN 0.115 nan 8.280 nan 0.000 0.517 291 P HA -0.128 nan 4.420 nan 0.000 0.221 291 P C 0.737 178.051 177.300 0.024 0.000 1.150 291 P CA 1.044 64.163 63.100 0.032 0.000 0.800 291 P CB 0.390 32.100 31.700 0.018 0.000 0.787 292 N N -0.459 118.264 118.700 0.038 0.000 2.336 292 N HA 0.019 4.759 4.740 -0.000 0.000 0.189 292 N C 0.297 175.799 175.510 -0.013 0.000 1.113 292 N CA 0.109 53.160 53.050 0.003 0.000 0.858 292 N CB -0.049 38.437 38.487 -0.002 0.000 0.970 292 N HN 0.090 nan 8.380 nan 0.000 0.471 293 I N 1.938 122.513 120.570 0.007 0.000 2.331 293 I HA 0.293 4.463 4.170 -0.000 0.000 0.292 293 I C -0.003 176.087 176.117 -0.044 0.000 0.998 293 I CA -0.888 60.401 61.300 -0.018 0.000 1.267 293 I CB 1.345 39.349 38.000 0.006 0.000 1.386 293 I HN -0.047 nan 8.210 nan 0.000 0.476 294 L N 8.549 129.730 121.223 -0.069 0.000 2.313 294 L HA 0.388 4.728 4.340 -0.000 0.000 0.273 294 L C -2.333 174.465 176.870 -0.119 0.000 1.028 294 L CA -1.543 53.224 54.840 -0.121 0.000 0.871 294 L CB 1.222 43.174 42.059 -0.179 0.000 1.242 294 L HN 0.324 nan 8.230 nan 0.000 0.434 295 P HA 0.252 nan 4.420 nan 0.000 0.292 295 P C -0.772 176.366 177.300 -0.269 0.000 1.287 295 P CA -0.235 62.701 63.100 -0.273 0.000 0.800 295 P CB 1.895 33.286 31.700 -0.515 0.000 0.945 296 S N 1.777 117.404 115.700 -0.123 0.000 2.632 296 S HA 0.749 5.219 4.470 -0.000 0.000 0.289 296 S C -0.502 174.157 174.600 0.097 0.000 1.115 296 S CA -0.654 57.582 58.200 0.060 0.000 0.889 296 S CB 1.268 64.650 63.200 0.305 0.000 1.116 296 S HN 0.330 nan 8.310 nan 0.000 0.486 297 S N 1.119 116.984 115.700 0.276 0.000 2.568 297 S HA 0.796 5.266 4.470 -0.000 0.000 0.302 297 S C 0.013 174.739 174.600 0.211 0.000 1.082 297 S CA -0.764 57.636 58.200 0.334 0.000 1.009 297 S CB 1.672 65.215 63.200 0.572 0.000 1.069 297 S HN 1.027 nan 8.310 nan 0.000 0.500 298 T N -0.294 114.354 114.554 0.156 0.000 2.862 298 T HA 0.317 4.667 4.350 -0.000 0.000 0.276 298 T C 0.933 175.658 174.700 0.042 0.000 0.974 298 T CA -0.649 61.460 62.100 0.015 0.000 0.966 298 T CB 0.364 69.199 68.868 -0.054 0.000 1.072 298 T HN 0.600 nan 8.240 nan 0.000 0.538 299 N N 0.012 118.699 118.700 -0.021 0.000 2.405 299 N HA 0.076 4.816 4.740 -0.000 0.000 0.175 299 N C -1.010 174.511 175.510 0.017 0.000 1.051 299 N CA -0.203 52.842 53.050 -0.009 0.000 0.899 299 N CB -1.397 37.058 38.487 -0.054 0.000 1.000 299 N HN 0.411 nan 8.380 nan 0.000 0.451 300 P HA -0.120 nan 4.420 nan 0.000 0.219 300 P C 0.678 178.083 177.300 0.175 0.000 1.146 300 P CA 1.565 64.718 63.100 0.088 0.000 0.808 300 P CB -0.286 31.448 31.700 0.056 0.000 0.779 301 T N -3.534 111.105 114.554 0.142 0.000 3.107 301 T HA 0.207 4.557 4.350 -0.000 0.000 0.249 301 T C 0.768 175.524 174.700 0.095 0.000 1.096 301 T CA -0.081 62.071 62.100 0.087 0.000 1.012 301 T CB -0.491 68.397 68.868 0.032 0.000 0.977 301 T HN 0.000 nan 8.240 nan 0.000 0.527 302 L N 3.349 124.623 121.223 0.085 0.000 2.276 302 L HA 0.515 4.855 4.340 -0.000 0.000 0.286 302 L C -2.432 174.471 176.870 0.055 0.000 1.024 302 L CA -2.282 52.602 54.840 0.072 0.000 0.826 302 L CB 1.571 43.652 42.059 0.037 0.000 1.211 302 L HN -0.001 nan 8.230 nan 0.000 0.422 303 P HA 0.119 nan 4.420 nan 0.000 0.292 303 P C -1.337 176.056 177.300 0.155 0.000 1.304 303 P CA -0.746 62.421 63.100 0.113 0.000 0.848 303 P CB 1.131 32.893 31.700 0.104 0.000 1.260 304 Y N 1.544 121.856 120.300 0.021 0.000 2.637 304 Y HA 0.258 4.808 4.550 -0.000 0.000 0.350 304 Y C 0.452 176.361 175.900 0.015 0.000 1.069 304 Y CA 0.166 58.271 58.100 0.007 0.000 1.397 304 Y CB -0.859 37.602 38.460 0.002 0.000 1.163 304 Y HN 0.348 nan 8.280 nan 0.000 0.527 305 T N 2.090 116.576 114.554 -0.114 0.000 2.841 305 T HA 0.382 4.732 4.350 -0.000 0.000 0.276 305 T C 1.058 175.603 174.700 -0.258 0.000 1.003 305 T CA -0.796 61.193 62.100 -0.185 0.000 0.995 305 T CB 0.811 69.647 68.868 -0.052 0.000 1.260 305 T HN 0.573 nan 8.240 nan 0.000 0.581 306 L N 0.460 121.581 121.223 -0.168 0.000 2.291 306 L HA 0.069 4.409 4.340 -0.000 0.000 0.214 306 L C 2.081 178.916 176.870 -0.059 0.000 1.120 306 L CA 0.832 55.594 54.840 -0.130 0.000 0.799 306 L CB -0.392 41.615 42.059 -0.086 0.000 0.925 306 L HN 0.656 nan 8.230 nan 0.000 0.446 307 N N -1.384 117.300 118.700 -0.027 0.000 2.236 307 N HA -0.002 4.738 4.740 -0.000 0.000 0.196 307 N C 1.528 177.067 175.510 0.047 0.000 1.114 307 N CA 0.391 53.446 53.050 0.008 0.000 0.859 307 N CB 0.449 38.940 38.487 0.007 0.000 0.982 307 N HN 0.178 nan 8.380 nan 0.000 0.493 308 T N 2.294 116.885 114.554 0.061 0.000 2.624 308 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 308 T C 1.970 176.750 174.700 0.134 0.000 1.041 308 T CA 0.914 63.086 62.100 0.119 0.000 1.159 308 T CB 0.044 68.986 68.868 0.123 0.000 0.863 308 T HN 0.136 nan 8.240 nan 0.000 0.434 309 I N 1.744 122.368 120.570 0.089 0.000 2.202 309 I HA -0.117 4.053 4.170 -0.000 0.000 0.242 309 I C 2.247 178.416 176.117 0.086 0.000 1.091 309 I CA 1.370 62.713 61.300 0.071 0.000 1.368 309 I CB -1.186 36.857 38.000 0.072 0.000 1.058 309 I HN 0.312 nan 8.210 nan 0.000 0.410 310 D N 0.645 121.085 120.400 0.067 0.000 2.123 310 D HA -0.253 4.387 4.640 -0.000 0.000 0.196 310 D C 1.964 178.292 176.300 0.046 0.000 0.992 310 D CA 1.323 55.351 54.000 0.046 0.000 0.833 310 D CB -0.181 40.636 40.800 0.028 0.000 0.954 310 D HN 0.515 nan 8.370 nan 0.000 0.455 311 E N 0.377 120.616 120.200 0.064 0.000 2.204 311 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 311 E C 1.695 178.295 176.600 -0.001 0.000 0.989 311 E CA 0.827 57.244 56.400 0.028 0.000 0.824 311 E CB 0.038 29.758 29.700 0.033 0.000 0.756 311 E HN 0.346 nan 8.360 nan 0.000 0.477 312 H N 0.011 119.061 119.070 -0.034 0.000 2.395 312 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 312 H C 1.845 177.134 175.328 -0.065 0.000 1.070 312 H CA 1.325 57.343 56.048 -0.049 0.000 1.356 312 H CB -0.066 29.674 29.762 -0.036 0.000 1.401 312 H HN 0.147 nan 8.280 nan 0.000 0.524 313 L N 0.856 122.104 121.223 0.042 0.000 1.990 313 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 313 L C 1.457 178.288 176.870 -0.065 0.000 1.072 313 L CA 2.026 56.857 54.840 -0.015 0.000 0.755 313 L CB -0.599 41.455 42.059 -0.008 0.000 0.889 313 L HN 0.300 nan 8.230 nan 0.000 0.432 314 D N -1.054 119.303 120.400 -0.071 0.000 2.183 314 D HA -0.198 4.441 4.640 -0.000 0.000 0.203 314 D C 2.182 178.401 176.300 -0.136 0.000 0.969 314 D CA 1.418 55.362 54.000 -0.093 0.000 0.842 314 D CB -0.021 40.732 40.800 -0.078 0.000 0.957 314 D HN 0.485 nan 8.370 nan 0.000 0.484 315 M N 0.634 120.132 119.600 -0.169 0.000 2.108 315 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 315 M C 2.039 178.199 176.300 -0.234 0.000 1.066 315 M CA 1.149 56.310 55.300 -0.231 0.000 1.107 315 M CB 0.045 32.446 32.600 -0.330 0.000 1.356 315 M HN -0.013 nan 8.290 nan 0.000 0.406 316 L N 1.062 122.169 121.223 -0.193 0.000 2.017 316 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 316 L C 2.248 179.012 176.870 -0.177 0.000 1.073 316 L CA 1.920 56.659 54.840 -0.168 0.000 0.745 316 L CB -0.935 41.044 42.059 -0.133 0.000 0.894 316 L HN 0.396 nan 8.230 nan 0.000 0.432 317 M N -1.363 118.142 119.600 -0.158 0.000 2.080 317 M HA -0.191 4.289 4.480 -0.000 0.000 0.260 317 M C 2.216 178.427 176.300 -0.148 0.000 1.068 317 M CA 1.690 56.909 55.300 -0.134 0.000 1.109 317 M CB -1.154 31.387 32.600 -0.099 0.000 1.342 317 M HN 0.162 nan 8.290 nan 0.000 0.405 318 V N -0.090 119.717 119.914 -0.177 0.000 2.358 318 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 318 V C 2.681 178.579 176.094 -0.327 0.000 1.047 318 V CA 1.800 63.978 62.300 -0.204 0.000 1.035 318 V CB -1.012 30.691 31.823 -0.199 0.000 0.658 318 V HN 0.679 nan 8.190 nan 0.000 0.452 319 C N 0.563 119.618 119.300 -0.408 0.000 2.413 319 C HA -0.212 4.247 4.460 -0.000 0.000 0.277 319 C C 2.582 177.094 174.990 -0.797 0.000 1.228 319 C CA 1.284 59.945 59.018 -0.594 0.000 1.731 319 C CB -1.304 26.041 27.740 -0.659 0.000 2.042 319 C HN 0.681 nan 8.230 nan 0.000 0.468 320 H N -0.116 118.722 119.070 -0.387 0.000 2.536 320 H HA 0.135 4.691 4.556 -0.000 0.000 0.276 320 H C 0.283 175.422 175.328 -0.316 0.000 1.019 320 H CA 0.912 56.746 56.048 -0.356 0.000 1.159 320 H CB -0.633 29.056 29.762 -0.121 0.000 1.373 320 H HN 0.691 nan 8.280 nan 0.000 0.584 321 H N -1.113 117.956 119.070 -0.002 0.000 2.826 321 H HA -0.154 4.402 4.556 -0.000 0.000 0.306 321 H C 0.020 175.356 175.328 0.012 0.000 1.235 321 H CA 0.296 56.339 56.048 -0.008 0.000 1.150 321 H CB -2.358 27.401 29.762 -0.005 0.000 1.409 321 H HN 0.318 nan 8.280 nan 0.000 0.420 322 L N 0.813 122.070 121.223 0.057 0.000 2.357 322 L HA 0.269 4.609 4.340 -0.000 0.000 0.273 322 L C 1.052 177.939 176.870 0.028 0.000 1.080 322 L CA -0.254 54.615 54.840 0.049 0.000 0.803 322 L CB 0.985 43.044 42.059 -0.001 0.000 1.174 322 L HN 0.032 nan 8.230 nan 0.000 0.443 323 D N 4.013 124.436 120.400 0.037 0.000 2.359 323 D HA 0.168 4.808 4.640 -0.000 0.000 0.230 323 D C -1.557 174.752 176.300 0.015 0.000 1.118 323 D CA -1.962 52.052 54.000 0.024 0.000 0.844 323 D CB 1.787 42.605 40.800 0.029 0.000 1.059 323 D HN 0.229 nan 8.370 nan 0.000 0.493 324 P HA -0.114 nan 4.420 nan 0.000 0.220 324 P C 0.542 177.845 177.300 0.006 0.000 1.148 324 P CA 0.777 63.876 63.100 -0.003 0.000 0.803 324 P CB 0.709 32.402 31.700 -0.013 0.000 0.782 325 D N 0.378 120.784 120.400 0.009 0.000 2.149 325 D HA 0.002 4.642 4.640 -0.000 0.000 0.201 325 D C 1.195 177.505 176.300 0.017 0.000 0.972 325 D CA 0.513 54.519 54.000 0.011 0.000 0.835 325 D CB -0.212 40.593 40.800 0.010 0.000 0.966 325 D HN 0.268 nan 8.370 nan 0.000 0.476 326 I N 1.991 122.574 120.570 0.023 0.000 2.578 326 I HA -0.042 4.128 4.170 -0.000 0.000 0.286 326 I C 1.693 177.832 176.117 0.037 0.000 1.126 326 I CA -0.508 60.810 61.300 0.030 0.000 1.380 326 I CB 1.311 39.334 38.000 0.037 0.000 1.408 326 I HN -0.109 nan 8.210 nan 0.000 0.532 327 A N 5.920 128.761 122.820 0.035 0.000 1.869 327 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 327 A C 2.040 179.659 177.584 0.058 0.000 1.203 327 A CA 1.933 53.994 52.037 0.040 0.000 0.638 327 A CB -0.457 18.564 19.000 0.034 0.000 0.831 327 A HN 0.763 nan 8.150 nan 0.000 0.450 328 E N 0.110 120.347 120.200 0.062 0.000 2.209 328 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 328 E C 1.501 178.186 176.600 0.141 0.000 0.993 328 E CA 1.252 57.702 56.400 0.084 0.000 0.819 328 E CB -0.270 29.465 29.700 0.058 0.000 0.745 328 E HN 0.601 nan 8.360 nan 0.000 0.477 329 D N -0.783 119.691 120.400 0.123 0.000 2.178 329 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 329 D C 1.947 178.303 176.300 0.095 0.000 0.974 329 D CA 1.213 55.304 54.000 0.152 0.000 0.841 329 D CB 0.080 40.936 40.800 0.093 0.000 0.953 329 D HN 0.278 nan 8.370 nan 0.000 0.478 330 V N -1.731 118.222 119.914 0.065 0.000 2.725 330 V HA 0.228 4.348 4.120 -0.000 0.000 0.247 330 V C 2.165 178.291 176.094 0.053 0.000 1.058 330 V CA 1.033 63.350 62.300 0.027 0.000 1.080 330 V CB -0.402 31.432 31.823 0.018 0.000 0.713 330 V HN 0.054 nan 8.190 nan 0.000 0.465 331 A N 0.631 123.508 122.820 0.095 0.000 1.902 331 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 331 A C 2.096 179.781 177.584 0.170 0.000 1.181 331 A CA 1.971 54.074 52.037 0.109 0.000 0.623 331 A CB -0.881 18.181 19.000 0.103 0.000 0.818 331 A HN 0.675 nan 8.150 nan 0.000 0.443 332 F N 1.471 121.428 119.950 0.011 0.000 2.026 332 F HA -0.110 4.417 4.527 -0.000 0.000 0.296 332 F C 2.528 178.328 175.800 0.001 0.000 1.133 332 F CA 1.219 59.220 58.000 0.001 0.000 1.188 332 F CB -1.254 37.741 39.000 -0.008 0.000 0.968 332 F HN 0.273 nan 8.300 nan 0.000 0.476 333 A N 0.187 122.852 122.820 -0.258 0.000 1.940 333 A HA -0.291 4.029 4.320 -0.000 0.000 0.221 333 A C 2.171 179.677 177.584 -0.130 0.000 1.190 333 A CA 2.294 54.117 52.037 -0.357 0.000 0.647 333 A CB -1.090 17.767 19.000 -0.238 0.000 0.821 333 A HN 0.664 nan 8.150 nan 0.000 0.457 334 E N -0.278 119.907 120.200 -0.026 0.000 2.112 334 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 334 E C 2.297 178.913 176.600 0.027 0.000 0.979 334 E CA 1.092 57.498 56.400 0.010 0.000 0.814 334 E CB -0.148 29.573 29.700 0.035 0.000 0.762 334 E HN 0.818 nan 8.360 nan 0.000 0.460 335 S N 0.714 116.453 115.700 0.065 0.000 2.469 335 S HA -0.109 4.361 4.470 -0.000 0.000 0.238 335 S C 1.856 176.442 174.600 -0.023 0.000 0.998 335 S CA 0.637 58.865 58.200 0.046 0.000 0.957 335 S CB -0.072 63.192 63.200 0.107 0.000 0.764 335 S HN 0.103 nan 8.310 nan 0.000 0.514 336 R N 0.270 120.773 120.500 0.005 0.000 2.153 336 R HA 0.316 4.656 4.340 -0.000 0.000 0.218 336 R C 0.010 176.272 176.300 -0.064 0.000 1.072 336 R CA 0.593 56.680 56.100 -0.021 0.000 0.990 336 R CB -0.061 30.227 30.300 -0.021 0.000 0.889 336 R HN 0.457 nan 8.270 nan 0.000 0.452 337 I N 1.845 122.380 120.570 -0.058 0.000 2.297 337 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 337 I C -0.581 175.489 176.117 -0.077 0.000 1.033 337 I CA -0.198 61.061 61.300 -0.068 0.000 1.253 337 I CB 1.287 39.270 38.000 -0.028 0.000 1.396 337 I HN -0.073 nan 8.210 nan 0.000 0.476 338 R N 5.204 125.637 120.500 -0.111 0.000 2.483 338 R HA 0.343 4.683 4.340 -0.000 0.000 0.303 338 R C 0.851 177.095 176.300 -0.092 0.000 0.987 338 R CA -0.789 55.260 56.100 -0.086 0.000 0.881 338 R CB 2.055 32.244 30.300 -0.185 0.000 1.177 338 R HN 0.510 nan 8.270 nan 0.000 0.451 339 R N 1.897 122.365 120.500 -0.053 0.000 2.117 339 R HA -0.234 4.106 4.340 -0.000 0.000 0.243 339 R C 0.545 176.716 176.300 -0.216 0.000 1.143 339 R CA 2.008 58.034 56.100 -0.122 0.000 0.968 339 R CB 0.271 30.573 30.300 0.004 0.000 0.863 339 R HN 0.571 nan 8.270 nan 0.000 0.444 340 E N -0.444 119.706 120.200 -0.083 0.000 2.038 340 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 340 E C 2.054 178.581 176.600 -0.121 0.000 1.000 340 E CA 2.350 58.707 56.400 -0.071 0.000 0.803 340 E CB -0.385 29.343 29.700 0.046 0.000 0.750 340 E HN 0.579 nan 8.360 nan 0.000 0.448 341 T N -0.766 113.728 114.554 -0.101 0.000 2.821 341 T HA -0.054 4.296 4.350 -0.000 0.000 0.267 341 T C 2.013 176.615 174.700 -0.163 0.000 1.046 341 T CA 0.826 62.864 62.100 -0.104 0.000 1.139 341 T CB -0.387 68.440 68.868 -0.068 0.000 0.871 341 T HN 0.048 nan 8.240 nan 0.000 0.454 342 I N 1.668 122.102 120.570 -0.228 0.000 2.361 342 I HA -0.113 4.057 4.170 -0.000 0.000 0.251 342 I C 3.096 178.973 176.117 -0.400 0.000 1.133 342 I CA 1.176 62.307 61.300 -0.281 0.000 1.413 342 I CB -0.481 37.326 38.000 -0.321 0.000 1.073 342 I HN 0.366 nan 8.210 nan 0.000 0.424 343 A N 0.566 123.052 122.820 -0.556 0.000 1.874 343 A HA -0.003 4.317 4.320 -0.000 0.000 0.214 343 A C 2.553 180.016 177.584 -0.202 0.000 1.189 343 A CA 1.318 53.061 52.037 -0.491 0.000 0.615 343 A CB -0.720 17.990 19.000 -0.483 0.000 0.830 343 A HN 0.377 nan 8.150 nan 0.000 0.443 344 A N -0.086 122.625 122.820 -0.181 0.000 1.940 344 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 344 A C 1.983 179.443 177.584 -0.207 0.000 1.176 344 A CA 1.889 53.839 52.037 -0.145 0.000 0.631 344 A CB -0.615 18.313 19.000 -0.120 0.000 0.814 344 A HN 0.683 nan 8.150 nan 0.000 0.446 345 E N -0.132 119.919 120.200 -0.248 0.000 2.086 345 E HA -0.295 4.055 4.350 -0.000 0.000 0.200 345 E C 1.301 177.750 176.600 -0.253 0.000 1.012 345 E CA 1.676 57.843 56.400 -0.390 0.000 0.812 345 E CB -0.191 29.381 29.700 -0.212 0.000 0.743 345 E HN 0.560 nan 8.360 nan 0.000 0.453 346 D N -0.192 120.173 120.400 -0.059 0.000 2.117 346 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 346 D C 2.052 178.390 176.300 0.063 0.000 0.987 346 D CA 1.083 55.124 54.000 0.069 0.000 0.829 346 D CB -0.179 40.679 40.800 0.098 0.000 0.961 346 D HN 0.129 nan 8.370 nan 0.000 0.460 347 V N 0.931 120.840 119.914 -0.009 0.000 2.307 347 V HA -0.193 3.926 4.120 -0.000 0.000 0.245 347 V C 2.654 178.729 176.094 -0.033 0.000 1.045 347 V CA 1.029 63.331 62.300 0.005 0.000 1.024 347 V CB -0.511 31.302 31.823 -0.016 0.000 0.651 347 V HN 0.185 nan 8.190 nan 0.000 0.449 348 L N -0.742 120.381 121.223 -0.166 0.000 2.129 348 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 348 L C 2.453 179.208 176.870 -0.191 0.000 1.087 348 L CA 1.853 56.544 54.840 -0.247 0.000 0.757 348 L CB -0.716 41.007 42.059 -0.559 0.000 0.896 348 L HN 0.437 nan 8.230 nan 0.000 0.434 349 H N -1.204 117.763 119.070 -0.172 0.000 2.363 349 H HA -0.178 4.378 4.556 -0.000 0.000 0.301 349 H C 1.967 177.212 175.328 -0.139 0.000 1.074 349 H CA 1.473 57.453 56.048 -0.113 0.000 1.354 349 H CB 0.214 29.930 29.762 -0.076 0.000 1.397 349 H HN 0.213 nan 8.280 nan 0.000 0.516 350 D N 0.039 120.528 120.400 0.148 0.000 2.144 350 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 350 D C 1.753 178.130 176.300 0.129 0.000 0.984 350 D CA 0.734 54.857 54.000 0.205 0.000 0.834 350 D CB -0.012 40.937 40.800 0.249 0.000 0.955 350 D HN 0.310 nan 8.370 nan 0.000 0.465 351 L N -1.222 120.050 121.223 0.081 0.000 2.395 351 L HA 0.169 4.509 4.340 -0.000 0.000 0.218 351 L C 1.544 178.462 176.870 0.081 0.000 1.130 351 L CA 0.598 55.485 54.840 0.079 0.000 0.826 351 L CB -0.158 41.929 42.059 0.046 0.000 0.941 351 L HN 0.247 nan 8.230 nan 0.000 0.451 352 G N -0.555 108.277 108.800 0.054 0.000 2.142 352 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.225 352 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.225 352 G C 0.766 175.706 174.900 0.067 0.000 1.015 352 G CA 0.278 45.414 45.100 0.059 0.000 0.716 352 G HN 0.403 nan 8.290 nan 0.000 0.508 353 A N -0.993 121.870 122.820 0.072 0.000 2.030 353 A HA 0.673 4.993 4.320 -0.000 0.000 0.215 353 A C 0.530 178.265 177.584 0.251 0.000 1.164 353 A CA 0.683 52.796 52.037 0.127 0.000 0.697 353 A CB 0.152 19.221 19.000 0.114 0.000 0.827 353 A HN 0.588 nan 8.150 nan 0.000 0.457 354 F N 0.120 119.947 119.950 -0.206 0.000 2.411 354 F HA 0.416 4.943 4.527 -0.000 0.000 0.352 354 F C 1.108 176.820 175.800 -0.147 0.000 1.123 354 F CA -1.244 56.568 58.000 -0.313 0.000 1.044 354 F CB 1.891 40.343 39.000 -0.912 0.000 1.135 354 F HN -0.008 nan 8.300 nan 0.000 0.461 355 S N 2.600 118.317 115.700 0.027 0.000 2.503 355 S HA 0.272 4.742 4.470 -0.000 0.000 0.215 355 S C 0.002 174.636 174.600 0.057 0.000 1.003 355 S CA 0.144 58.361 58.200 0.029 0.000 0.910 355 S CB 0.206 63.385 63.200 -0.035 0.000 0.790 355 S HN 0.247 nan 8.310 nan 0.000 0.514 356 L N 1.357 122.646 121.223 0.110 0.000 2.371 356 L HA 0.589 4.929 4.340 -0.000 0.000 0.262 356 L C -0.106 176.916 176.870 0.252 0.000 1.006 356 L CA -0.379 54.539 54.840 0.129 0.000 0.818 356 L CB 1.903 43.984 42.059 0.037 0.000 1.354 356 L HN 0.033 nan 8.230 nan 0.000 0.415 357 T N -1.900 112.758 114.554 0.173 0.000 2.876 357 T HA 0.950 5.300 4.350 -0.000 0.000 0.289 357 T C -0.455 174.312 174.700 0.113 0.000 1.014 357 T CA -0.518 61.661 62.100 0.132 0.000 0.986 357 T CB 1.831 70.707 68.868 0.013 0.000 1.021 357 T HN 0.784 nan 8.240 nan 0.000 0.458 358 S N 0.745 116.492 115.700 0.077 0.000 2.656 358 S HA 0.641 5.111 4.470 -0.000 0.000 0.273 358 S C 0.923 175.490 174.600 -0.054 0.000 1.168 358 S CA -0.147 58.077 58.200 0.040 0.000 0.817 358 S CB 1.136 64.403 63.200 0.111 0.000 1.146 358 S HN 1.151 nan 8.310 nan 0.000 0.475 359 S N 0.271 115.912 115.700 -0.099 0.000 2.324 359 S HA 0.191 4.661 4.470 -0.000 0.000 0.210 359 S C 0.478 174.913 174.600 -0.275 0.000 1.027 359 S CA 1.312 59.419 58.200 -0.155 0.000 0.945 359 S CB -0.857 62.265 63.200 -0.130 0.000 0.908 359 S HN 1.393 nan 8.310 nan 0.000 0.496 360 D N 1.349 121.534 120.400 -0.358 0.000 2.832 360 D HA -0.133 4.507 4.640 -0.000 0.000 0.235 360 D C -0.401 175.782 176.300 -0.195 0.000 1.081 360 D CA 0.696 54.403 54.000 -0.489 0.000 0.744 360 D CB -2.058 38.293 40.800 -0.748 0.000 1.086 360 D HN 0.682 nan 8.370 nan 0.000 0.438 361 S N 0.620 116.252 115.700 -0.114 0.000 2.953 361 S HA -0.106 4.364 4.470 -0.000 0.000 0.348 361 S C 1.023 175.520 174.600 -0.172 0.000 1.215 361 S CA 1.086 59.209 58.200 -0.128 0.000 1.019 361 S CB 0.556 63.681 63.200 -0.125 0.000 0.726 361 S HN 0.476 nan 8.310 nan 0.000 0.503 362 Q N -0.026 119.665 119.800 -0.180 0.000 2.405 362 Q HA -0.288 4.052 4.340 -0.000 0.000 0.265 362 Q C 0.323 176.136 176.000 -0.311 0.000 1.096 362 Q CA 0.980 56.664 55.803 -0.199 0.000 0.982 362 Q CB -2.077 26.591 28.738 -0.117 0.000 1.426 362 Q HN 1.208 nan 8.270 nan 0.000 0.527 363 A N 0.175 122.748 122.820 -0.411 0.000 3.448 363 A HA 0.529 4.849 4.320 -0.000 0.000 0.232 363 A C 0.378 177.732 177.584 -0.383 0.000 1.018 363 A CA 0.025 51.744 52.037 -0.529 0.000 0.996 363 A CB 0.450 18.818 19.000 -1.053 0.000 1.283 363 A HN 0.345 nan 8.150 nan 0.000 0.586 364 M N -1.301 118.110 119.600 -0.314 0.000 2.769 364 M HA -0.149 4.331 4.480 -0.000 0.000 0.222 364 M C 0.245 176.414 176.300 -0.218 0.000 0.471 364 M CA 0.984 56.127 55.300 -0.260 0.000 0.713 364 M CB -1.656 30.815 32.600 -0.214 0.000 2.645 364 M HN 1.294 nan 8.290 nan 0.000 0.688 365 G N 0.586 109.253 108.800 -0.221 0.000 2.616 365 G HA2 0.703 4.663 3.960 -0.000 0.000 0.294 365 G HA3 0.703 4.663 3.960 -0.000 0.000 0.294 365 G C -1.338 173.461 174.900 -0.169 0.000 1.489 365 G CA -1.105 43.881 45.100 -0.190 0.000 0.836 365 G HN 0.257 nan 8.290 nan 0.000 0.527 366 R N 1.615 122.029 120.500 -0.142 0.000 2.337 366 R HA 0.383 4.723 4.340 -0.000 0.000 0.319 366 R C 0.928 177.157 176.300 -0.119 0.000 0.954 366 R CA -0.759 55.263 56.100 -0.130 0.000 0.840 366 R CB 2.135 32.359 30.300 -0.126 0.000 1.164 366 R HN 0.334 nan 8.270 nan 0.000 0.472 367 V N 2.744 122.591 119.914 -0.112 0.000 2.546 367 V HA -0.148 3.972 4.120 -0.000 0.000 0.254 367 V C 1.349 177.392 176.094 -0.084 0.000 1.076 367 V CA 2.528 64.768 62.300 -0.100 0.000 1.087 367 V CB -0.054 31.713 31.823 -0.092 0.000 0.674 367 V HN 0.986 nan 8.190 nan 0.000 0.470 368 G N -1.395 107.353 108.800 -0.086 0.000 3.502 368 G HA2 0.174 4.134 3.960 -0.000 0.000 0.267 368 G HA3 0.174 4.134 3.960 -0.000 0.000 0.267 368 G C 0.706 175.557 174.900 -0.082 0.000 1.090 368 G CA 0.036 45.092 45.100 -0.074 0.000 0.795 368 G HN 0.587 nan 8.290 nan 0.000 0.535 369 E N -0.067 120.071 120.200 -0.102 0.000 2.812 369 E HA 0.140 4.490 4.350 -0.000 0.000 0.211 369 E C 1.462 177.985 176.600 -0.129 0.000 0.986 369 E CA -0.199 56.135 56.400 -0.110 0.000 1.119 369 E CB 1.151 30.779 29.700 -0.120 0.000 1.046 369 E HN 0.180 nan 8.360 nan 0.000 0.474 370 V N 0.708 120.534 119.914 -0.147 0.000 2.358 370 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 370 V C 2.095 177.990 176.094 -0.331 0.000 1.047 370 V CA 1.515 63.703 62.300 -0.187 0.000 1.035 370 V CB -0.219 31.513 31.823 -0.151 0.000 0.658 370 V HN 0.359 nan 8.190 nan 0.000 0.452 371 I N -0.399 119.917 120.570 -0.423 0.000 2.193 371 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 371 I C 2.434 178.354 176.117 -0.327 0.000 1.084 371 I CA 1.451 62.356 61.300 -0.658 0.000 1.365 371 I CB -0.331 37.365 38.000 -0.507 0.000 1.064 371 I HN 0.278 nan 8.210 nan 0.000 0.410 372 L N 1.064 122.192 121.223 -0.158 0.000 2.013 372 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 372 L C 2.797 179.643 176.870 -0.041 0.000 1.073 372 L CA 1.813 56.623 54.840 -0.051 0.000 0.753 372 L CB -0.288 41.757 42.059 -0.024 0.000 0.890 372 L HN 0.167 nan 8.230 nan 0.000 0.432 373 R N -1.096 119.348 120.500 -0.092 0.000 2.148 373 R HA -0.093 4.247 4.340 -0.000 0.000 0.223 373 R C 2.105 178.345 176.300 -0.100 0.000 1.088 373 R CA 1.615 57.674 56.100 -0.069 0.000 0.985 373 R CB -0.424 29.837 30.300 -0.065 0.000 0.880 373 R HN 0.443 nan 8.270 nan 0.000 0.451 374 T N -0.132 114.289 114.554 -0.222 0.000 2.746 374 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 374 T C 1.240 175.750 174.700 -0.316 0.000 1.039 374 T CA 1.321 63.240 62.100 -0.301 0.000 1.142 374 T CB -0.206 68.384 68.868 -0.463 0.000 0.866 374 T HN 0.453 nan 8.240 nan 0.000 0.444 375 W N 1.479 122.763 121.300 -0.027 0.000 2.467 375 W HA 0.036 4.696 4.660 -0.000 0.000 0.275 375 W C 2.622 179.097 176.519 -0.073 0.000 1.239 375 W CA -0.068 57.237 57.345 -0.066 0.000 1.266 375 W CB -0.217 29.209 29.460 -0.058 0.000 1.112 375 W HN 0.298 nan 8.180 nan 0.000 0.576 376 Q N 0.002 119.879 119.800 0.129 0.000 2.119 376 Q HA -0.164 4.176 4.340 -0.000 0.000 0.201 376 Q C 2.140 178.201 176.000 0.101 0.000 0.972 376 Q CA 1.526 57.391 55.803 0.102 0.000 0.847 376 Q CB -0.383 28.390 28.738 0.057 0.000 0.903 376 Q HN 0.197 nan 8.270 nan 0.000 0.433 377 V N 0.727 120.665 119.914 0.039 0.000 2.307 377 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 377 V C 2.273 178.329 176.094 -0.063 0.000 1.045 377 V CA 1.738 64.066 62.300 0.048 0.000 1.024 377 V CB -0.968 30.920 31.823 0.110 0.000 0.651 377 V HN 0.384 nan 8.190 nan 0.000 0.449 378 A N -0.101 122.494 122.820 -0.376 0.000 1.917 378 A HA -0.353 3.967 4.320 -0.000 0.000 0.219 378 A C 2.109 179.601 177.584 -0.153 0.000 1.182 378 A CA 2.675 54.306 52.037 -0.677 0.000 0.633 378 A CB -0.919 17.602 19.000 -0.798 0.000 0.819 378 A HN 0.824 nan 8.150 nan 0.000 0.448 379 H N -0.842 118.184 119.070 -0.075 0.000 2.299 379 H HA -0.040 4.516 4.556 -0.000 0.000 0.302 379 H C 2.195 177.524 175.328 0.001 0.000 1.078 379 H CA 1.767 57.807 56.048 -0.014 0.000 1.323 379 H CB -0.044 29.724 29.762 0.010 0.000 1.381 379 H HN 0.227 nan 8.280 nan 0.000 0.498 380 R N -0.193 120.297 120.500 -0.017 0.000 2.152 380 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 380 R C 2.022 178.288 176.300 -0.057 0.000 1.117 380 R CA 1.111 57.180 56.100 -0.052 0.000 0.981 380 R CB -0.234 30.112 30.300 0.077 0.000 0.870 380 R HN 0.487 nan 8.270 nan 0.000 0.451 381 M N 0.010 119.596 119.600 -0.024 0.000 2.334 381 M HA -0.033 4.447 4.480 -0.000 0.000 0.266 381 M C 2.050 178.347 176.300 -0.006 0.000 1.082 381 M CA 0.999 56.310 55.300 0.020 0.000 1.141 381 M CB -0.542 32.115 32.600 0.095 0.000 1.380 381 M HN 0.030 nan 8.290 nan 0.000 0.440 382 K N 0.489 120.859 120.400 -0.051 0.000 2.057 382 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 382 K C 1.812 178.373 176.600 -0.065 0.000 1.050 382 K CA 1.120 57.386 56.287 -0.035 0.000 0.935 382 K CB 0.139 32.620 32.500 -0.032 0.000 0.715 382 K HN 0.074 nan 8.250 nan 0.000 0.439 383 V N 1.444 121.263 119.914 -0.157 0.000 2.407 383 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 383 V C 2.241 178.297 176.094 -0.063 0.000 1.055 383 V CA 1.833 64.046 62.300 -0.144 0.000 1.049 383 V CB -0.345 31.320 31.823 -0.264 0.000 0.662 383 V HN 0.427 nan 8.190 nan 0.000 0.455 384 Q N -0.951 118.824 119.800 -0.042 0.000 2.250 384 Q HA 0.048 4.388 4.340 -0.000 0.000 0.200 384 Q C 2.083 178.088 176.000 0.009 0.000 0.941 384 Q CA 0.779 56.579 55.803 -0.006 0.000 0.872 384 Q CB 0.221 28.967 28.738 0.013 0.000 0.965 384 Q HN 0.547 nan 8.270 nan 0.000 0.480 385 R N -0.968 119.541 120.500 0.016 0.000 2.476 385 R HA 0.258 4.598 4.340 -0.000 0.000 0.276 385 R C 0.538 176.856 176.300 0.030 0.000 0.941 385 R CA 0.341 56.458 56.100 0.028 0.000 1.088 385 R CB 1.403 31.730 30.300 0.045 0.000 1.216 385 R HN 0.216 nan 8.270 nan 0.000 0.533 386 G N 1.451 110.265 108.800 0.023 0.000 2.598 386 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 386 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 386 G C -0.243 174.686 174.900 0.048 0.000 1.302 386 G CA -0.472 44.645 45.100 0.027 0.000 0.903 386 G HN 0.407 nan 8.290 nan 0.000 0.575 387 A N -0.573 122.276 122.820 0.049 0.000 2.407 387 A HA 0.655 4.975 4.320 -0.000 0.000 0.248 387 A C 0.891 178.523 177.584 0.080 0.000 1.082 387 A CA 0.154 52.232 52.037 0.068 0.000 0.785 387 A CB 0.146 19.178 19.000 0.053 0.000 1.020 387 A HN 1.199 nan 8.150 nan 0.000 0.489 388 L N 1.103 122.396 121.223 0.118 0.000 2.466 388 L HA 0.301 4.641 4.340 -0.000 0.000 0.257 388 L C 1.829 178.735 176.870 0.061 0.000 1.189 388 L CA -0.024 54.892 54.840 0.126 0.000 0.813 388 L CB 0.650 42.852 42.059 0.239 0.000 1.118 388 L HN 0.875 nan 8.230 nan 0.000 0.471 389 A N 0.792 123.631 122.820 0.031 0.000 2.070 389 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 389 A C 1.814 179.349 177.584 -0.083 0.000 1.159 389 A CA 1.344 53.371 52.037 -0.016 0.000 0.656 389 A CB -0.400 18.591 19.000 -0.015 0.000 0.800 389 A HN 0.875 nan 8.150 nan 0.000 0.453 390 E N 0.513 120.612 120.200 -0.168 0.000 2.371 390 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 390 E C 0.358 176.790 176.600 -0.280 0.000 1.012 390 E CA 0.048 56.204 56.400 -0.407 0.000 0.860 390 E CB 0.076 29.093 29.700 -1.139 0.000 0.811 390 E HN 0.495 nan 8.360 nan 0.000 0.502 391 E N 0.679 120.838 120.200 -0.069 0.000 2.418 391 E HA 0.096 4.446 4.350 -0.000 0.000 0.261 391 E C -0.189 176.411 176.600 0.001 0.000 1.070 391 E CA 0.559 56.978 56.400 0.032 0.000 0.931 391 E CB 1.138 30.890 29.700 0.087 0.000 0.954 391 E HN -0.091 nan 8.360 nan 0.000 0.439 392 T N 0.041 114.611 114.554 0.026 0.000 2.993 392 T HA 0.556 4.906 4.350 -0.000 0.000 0.312 392 T C -0.392 174.323 174.700 0.025 0.000 1.115 392 T CA 0.415 62.524 62.100 0.014 0.000 1.027 392 T CB 1.104 69.976 68.868 0.007 0.000 1.116 392 T HN 0.742 nan 8.240 nan 0.000 0.464 393 G N 3.079 111.887 108.800 0.013 0.000 2.796 393 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.571 393 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.571 393 G C -0.725 174.177 174.900 0.003 0.000 1.370 393 G CA -0.412 44.692 45.100 0.008 0.000 0.856 393 G HN 0.708 nan 8.290 nan 0.000 0.538 394 D N 2.230 122.621 120.400 -0.014 0.000 2.741 394 D HA 0.236 4.876 4.640 -0.000 0.000 0.233 394 D C 0.850 177.133 176.300 -0.028 0.000 1.160 394 D CA 0.408 54.387 54.000 -0.034 0.000 1.003 394 D CB -0.721 40.036 40.800 -0.072 0.000 1.064 394 D HN 0.639 nan 8.370 nan 0.000 0.503 395 N N -1.236 117.476 118.700 0.019 0.000 3.039 395 N HA 0.224 4.964 4.740 -0.000 0.000 0.257 395 N C -0.851 174.713 175.510 0.089 0.000 1.497 395 N CA -0.652 52.434 53.050 0.061 0.000 0.861 395 N CB 1.572 40.099 38.487 0.066 0.000 1.479 395 N HN -0.243 nan 8.380 nan 0.000 0.547 396 D N -0.278 120.190 120.400 0.114 0.000 2.559 396 D HA 0.117 4.757 4.640 -0.000 0.000 0.234 396 D C 0.187 176.546 176.300 0.098 0.000 1.226 396 D CA -0.227 53.842 54.000 0.114 0.000 0.830 396 D CB 0.060 40.929 40.800 0.115 0.000 1.028 396 D HN 0.368 nan 8.370 nan 0.000 0.492 397 N N 0.934 119.687 118.700 0.088 0.000 2.037 397 N HA -0.203 4.537 4.740 -0.000 0.000 0.196 397 N C 1.409 176.965 175.510 0.076 0.000 1.034 397 N CA 0.898 53.986 53.050 0.064 0.000 0.861 397 N CB -0.467 38.060 38.487 0.067 0.000 1.039 397 N HN 0.245 nan 8.380 nan 0.000 0.427 398 F N 1.673 121.629 119.950 0.009 0.000 2.134 398 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 398 F C 2.481 178.297 175.800 0.026 0.000 1.097 398 F CA 1.217 59.200 58.000 -0.028 0.000 1.264 398 F CB -0.178 38.803 39.000 -0.033 0.000 1.001 398 F HN -0.058 nan 8.300 nan 0.000 0.479 399 R N -0.095 120.446 120.500 0.068 0.000 2.096 399 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 399 R C 1.974 178.381 176.300 0.178 0.000 1.127 399 R CA 1.782 57.956 56.100 0.124 0.000 0.968 399 R CB -0.533 29.888 30.300 0.201 0.000 0.861 399 R HN 0.298 nan 8.270 nan 0.000 0.440 400 V N 1.245 121.246 119.914 0.144 0.000 2.358 400 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 400 V C 2.087 178.314 176.094 0.222 0.000 1.047 400 V CA 1.925 64.404 62.300 0.299 0.000 1.035 400 V CB -0.349 31.529 31.823 0.091 0.000 0.658 400 V HN 0.367 nan 8.190 nan 0.000 0.452 401 K N -0.008 120.358 120.400 -0.056 0.000 2.097 401 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 401 K C 2.338 178.857 176.600 -0.136 0.000 1.049 401 K CA 1.504 57.719 56.287 -0.120 0.000 0.933 401 K CB -0.239 32.086 32.500 -0.292 0.000 0.717 401 K HN 0.367 nan 8.250 nan 0.000 0.442 402 R N 0.167 120.427 120.500 -0.400 0.000 2.066 402 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 402 R C 1.734 177.951 176.300 -0.138 0.000 1.131 402 R CA 1.474 57.399 56.100 -0.291 0.000 0.955 402 R CB -0.257 29.781 30.300 -0.436 0.000 0.851 402 R HN 0.172 nan 8.270 nan 0.000 0.432 403 Y N 0.338 120.566 120.300 -0.119 0.000 2.314 403 Y HA -0.067 4.483 4.550 -0.000 0.000 0.293 403 Y C 2.138 177.848 175.900 -0.317 0.000 1.129 403 Y CA 1.248 59.210 58.100 -0.230 0.000 1.201 403 Y CB -0.044 38.199 38.460 -0.363 0.000 0.999 403 Y HN 0.112 nan 8.280 nan 0.000 0.541 404 I N -0.598 119.978 120.570 0.009 0.000 2.353 404 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 404 I C 2.382 178.303 176.117 -0.328 0.000 1.119 404 I CA 1.204 62.423 61.300 -0.135 0.000 1.417 404 I CB -0.218 37.901 38.000 0.198 0.000 1.078 404 I HN 0.172 nan 8.210 nan 0.000 0.421 405 A N 0.708 123.467 122.820 -0.101 0.000 2.032 405 A HA -0.272 4.048 4.320 -0.000 0.000 0.221 405 A C 2.186 179.689 177.584 -0.135 0.000 1.165 405 A CA 1.821 53.808 52.037 -0.084 0.000 0.645 405 A CB -0.554 18.447 19.000 0.002 0.000 0.807 405 A HN 0.457 nan 8.150 nan 0.000 0.453 406 K N -1.442 118.874 120.400 -0.141 0.000 2.147 406 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 406 K C 1.166 177.785 176.600 0.033 0.000 1.049 406 K CA 1.753 58.008 56.287 -0.053 0.000 0.936 406 K CB -0.273 32.197 32.500 -0.050 0.000 0.722 406 K HN 0.932 nan 8.250 nan 0.000 0.446 407 Y N -1.507 118.783 120.300 -0.017 0.000 2.612 407 Y HA 0.291 4.841 4.550 -0.000 0.000 0.250 407 Y C 1.095 177.031 175.900 0.061 0.000 1.175 407 Y CA -0.203 57.905 58.100 0.014 0.000 1.205 407 Y CB -0.201 38.255 38.460 -0.008 0.000 1.201 407 Y HN -0.055 nan 8.280 nan 0.000 0.532 408 T N -2.874 111.608 114.554 -0.121 0.000 3.364 408 T HA 0.117 4.467 4.350 -0.000 0.000 0.179 408 T C 1.288 175.991 174.700 0.005 0.000 0.939 408 T CA 0.600 62.681 62.100 -0.032 0.000 1.094 408 T CB -0.775 68.044 68.868 -0.082 0.000 1.532 408 T HN 0.097 nan 8.240 nan 0.000 0.346 409 I N 3.078 123.634 120.570 -0.023 0.000 2.315 409 I HA -0.006 4.164 4.170 -0.000 0.000 0.248 409 I C 1.846 177.921 176.117 -0.070 0.000 1.117 409 I CA 1.405 62.675 61.300 -0.050 0.000 1.404 409 I CB -0.818 37.073 38.000 -0.182 0.000 1.071 409 I HN 0.258 nan 8.210 nan 0.000 0.419 410 N N 0.761 119.413 118.700 -0.080 0.000 2.142 410 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 410 N C -0.787 174.693 175.510 -0.049 0.000 1.023 410 N CA 1.630 54.635 53.050 -0.076 0.000 0.852 410 N CB -1.816 36.626 38.487 -0.074 0.000 0.998 410 N HN 0.312 nan 8.380 nan 0.000 0.424 411 P HA 0.001 nan 4.420 nan 0.000 0.218 411 P C 0.932 178.264 177.300 0.054 0.000 1.149 411 P CA 1.248 64.373 63.100 0.041 0.000 0.817 411 P CB 0.021 31.770 31.700 0.082 0.000 0.785 412 A N -0.850 121.984 122.820 0.024 0.000 1.929 412 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 412 A C 2.144 179.734 177.584 0.010 0.000 1.176 412 A CA 1.223 53.270 52.037 0.016 0.000 0.628 412 A CB -1.510 17.505 19.000 0.026 0.000 0.816 412 A HN 0.103 nan 8.150 nan 0.000 0.444 413 L N -0.820 120.393 121.223 -0.016 0.000 2.072 413 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 413 L C 2.721 179.555 176.870 -0.060 0.000 1.079 413 L CA 1.653 56.474 54.840 -0.031 0.000 0.752 413 L CB -0.810 41.215 42.059 -0.056 0.000 0.906 413 L HN 0.317 nan 8.230 nan 0.000 0.436 414 T N -2.047 112.451 114.554 -0.093 0.000 2.803 414 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 414 T C 1.439 175.964 174.700 -0.291 0.000 1.052 414 T CA 1.176 63.160 62.100 -0.192 0.000 1.136 414 T CB -0.234 68.483 68.868 -0.251 0.000 0.864 414 T HN 0.347 nan 8.240 nan 0.000 0.467 415 H N -0.394 118.645 119.070 -0.051 0.000 2.542 415 H HA 0.348 4.904 4.556 -0.000 0.000 0.283 415 H C 1.588 176.884 175.328 -0.053 0.000 1.059 415 H CA 0.310 56.332 56.048 -0.044 0.000 1.162 415 H CB 0.172 29.905 29.762 -0.049 0.000 1.539 415 H HN 0.476 nan 8.280 nan 0.000 0.543 416 G N 2.420 111.229 108.800 0.014 0.000 2.273 416 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.280 416 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.280 416 G C 0.834 175.816 174.900 0.137 0.000 1.047 416 G CA 0.752 45.880 45.100 0.047 0.000 0.869 416 G HN 0.640 nan 8.290 nan 0.000 0.502 417 I N -4.407 116.215 120.570 0.087 0.000 4.310 417 I HA 0.645 4.815 4.170 -0.000 0.000 0.328 417 I C 1.745 177.890 176.117 0.047 0.000 1.406 417 I CA 0.380 61.694 61.300 0.024 0.000 1.174 417 I CB 0.210 37.936 38.000 -0.457 0.000 1.279 417 I HN 0.142 nan 8.210 nan 0.000 0.471 418 A N 1.927 124.821 122.820 0.124 0.000 2.178 418 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 418 A C 2.038 179.702 177.584 0.135 0.000 1.157 418 A CA 1.914 54.010 52.037 0.098 0.000 0.689 418 A CB -1.309 17.735 19.000 0.073 0.000 0.787 418 A HN 0.867 nan 8.150 nan 0.000 0.465 419 H N -2.993 116.116 119.070 0.065 0.000 2.529 419 H HA 0.205 4.761 4.556 -0.000 0.000 0.277 419 H C 1.500 176.888 175.328 0.101 0.000 0.999 419 H CA 0.954 57.046 56.048 0.072 0.000 1.256 419 H CB 0.196 29.995 29.762 0.062 0.000 1.402 419 H HN 0.388 nan 8.280 nan 0.000 0.566 420 E N 0.994 121.010 120.200 -0.307 0.000 2.256 420 E HA 0.128 4.478 4.350 -0.000 0.000 0.198 420 E C 0.871 177.486 176.600 0.024 0.000 0.908 420 E CA 0.910 57.219 56.400 -0.152 0.000 0.915 420 E CB 1.116 30.730 29.700 -0.145 0.000 0.890 420 E HN 0.395 nan 8.360 nan 0.000 0.484 421 V N -4.669 115.283 119.914 0.064 0.000 3.084 421 V HA 0.862 4.982 4.120 -0.000 0.000 0.311 421 V C 0.829 176.987 176.094 0.106 0.000 1.311 421 V CA -0.132 62.236 62.300 0.114 0.000 1.062 421 V CB 1.213 33.139 31.823 0.171 0.000 1.113 421 V HN 0.292 nan 8.190 nan 0.000 0.468 422 G N -0.181 108.694 108.800 0.124 0.000 2.278 422 G HA2 0.128 4.088 3.960 -0.000 0.000 0.210 422 G HA3 0.128 4.088 3.960 -0.000 0.000 0.210 422 G C 0.296 175.291 174.900 0.158 0.000 1.000 422 G CA 0.559 45.729 45.100 0.116 0.000 0.635 422 G HN 2.510 nan 8.290 nan 0.000 0.495 423 S N -1.228 114.591 115.700 0.198 0.000 2.643 423 S HA 0.619 5.089 4.470 -0.000 0.000 0.266 423 S C -0.844 173.918 174.600 0.271 0.000 1.130 423 S CA -0.581 57.783 58.200 0.274 0.000 0.817 423 S CB 0.908 64.361 63.200 0.422 0.000 1.107 423 S HN 0.807 nan 8.310 nan 0.000 0.471 424 I N 1.648 122.422 120.570 0.340 0.000 2.241 424 I HA 0.385 4.555 4.170 -0.000 0.000 0.294 424 I C -0.041 176.277 176.117 0.337 0.000 1.145 424 I CA 0.190 61.686 61.300 0.327 0.000 1.261 424 I CB -0.228 37.979 38.000 0.345 0.000 1.475 424 I HN 0.551 nan 8.210 nan 0.000 0.533 425 E N 3.861 124.172 120.200 0.186 0.000 2.367 425 E HA 0.376 4.726 4.350 -0.000 0.000 0.273 425 E C -0.698 175.919 176.600 0.029 0.000 0.903 425 E CA -1.040 55.390 56.400 0.050 0.000 0.764 425 E CB 3.146 32.876 29.700 0.049 0.000 1.252 425 E HN 0.271 nan 8.360 nan 0.000 0.446 426 V N -0.180 119.712 119.914 -0.037 0.000 2.788 426 V HA 0.407 4.527 4.120 -0.000 0.000 0.307 426 V C 1.062 177.156 176.094 0.000 0.000 1.069 426 V CA 0.973 63.252 62.300 -0.034 0.000 1.173 426 V CB 0.188 31.944 31.823 -0.112 0.000 0.925 426 V HN 1.035 nan 8.190 nan 0.000 0.492 427 G N 2.786 111.602 108.800 0.026 0.000 2.268 427 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.240 427 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.240 427 G C 0.382 175.318 174.900 0.060 0.000 1.010 427 G CA 0.412 45.538 45.100 0.044 0.000 0.618 427 G HN 0.899 nan 8.290 nan 0.000 0.516 428 K N 0.096 120.537 120.400 0.068 0.000 2.168 428 K HA 0.537 4.857 4.320 -0.000 0.000 0.258 428 K C 0.315 176.963 176.600 0.079 0.000 1.010 428 K CA -0.851 55.481 56.287 0.076 0.000 0.929 428 K CB 1.140 33.698 32.500 0.096 0.000 0.998 428 K HN 0.156 nan 8.250 nan 0.000 0.479 429 L N 1.768 123.035 121.223 0.072 0.000 2.490 429 L HA 0.001 4.341 4.340 -0.000 0.000 0.274 429 L C -0.004 176.919 176.870 0.089 0.000 1.201 429 L CA 0.709 55.592 54.840 0.070 0.000 0.869 429 L CB 0.492 42.586 42.059 0.058 0.000 1.123 429 L HN 0.735 nan 8.230 nan 0.000 0.484 430 A N 3.810 126.682 122.820 0.085 0.000 3.052 430 A HA 0.139 4.459 4.320 -0.000 0.000 0.266 430 A C -0.334 177.301 177.584 0.086 0.000 1.855 430 A CA -0.306 51.786 52.037 0.091 0.000 1.473 430 A CB -1.250 17.800 19.000 0.084 0.000 1.038 430 A HN 0.683 nan 8.150 nan 0.000 0.619 431 D N 1.425 121.884 120.400 0.098 0.000 2.443 431 D HA 0.525 5.165 4.640 -0.000 0.000 0.221 431 D C -0.253 176.110 176.300 0.105 0.000 1.097 431 D CA 0.425 54.483 54.000 0.096 0.000 0.865 431 D CB 0.839 41.706 40.800 0.113 0.000 1.034 431 D HN 0.402 nan 8.370 nan 0.000 0.511 432 L N 0.929 122.200 121.223 0.080 0.000 2.333 432 L HA 0.676 5.016 4.340 -0.000 0.000 0.263 432 L C -0.507 176.371 176.870 0.013 0.000 1.014 432 L CA -1.242 53.645 54.840 0.079 0.000 0.820 432 L CB 2.358 44.466 42.059 0.081 0.000 1.352 432 L HN -0.107 nan 8.230 nan 0.000 0.421 433 V N 1.716 121.623 119.914 -0.012 0.000 2.638 433 V HA 0.466 4.586 4.120 -0.000 0.000 0.306 433 V C -0.383 175.529 176.094 -0.302 0.000 1.052 433 V CA -0.682 61.469 62.300 -0.249 0.000 0.885 433 V CB 2.285 33.882 31.823 -0.377 0.000 0.999 433 V HN 0.412 nan 8.190 nan 0.000 0.424 434 V N 3.587 123.284 119.914 -0.361 0.000 2.435 434 V HA 0.574 4.694 4.120 -0.000 0.000 0.290 434 V C -0.973 174.996 176.094 -0.208 0.000 1.030 434 V CA -0.514 61.693 62.300 -0.155 0.000 0.881 434 V CB 1.520 33.315 31.823 -0.047 0.000 0.983 434 V HN 0.931 nan 8.190 nan 0.000 0.445 435 W N 1.699 123.080 121.300 0.135 0.000 2.936 435 W HA 0.643 5.303 4.660 -0.000 0.000 0.338 435 W C 0.190 176.799 176.519 0.150 0.000 1.121 435 W CA -0.660 56.779 57.345 0.155 0.000 1.209 435 W CB 1.758 31.368 29.460 0.249 0.000 1.420 435 W HN 0.465 nan 8.180 nan 0.000 0.516 436 S N 2.011 117.959 115.700 0.413 0.000 2.565 436 S HA 0.290 4.760 4.470 -0.000 0.000 0.274 436 S C -1.519 173.268 174.600 0.312 0.000 1.309 436 S CA -1.154 57.229 58.200 0.306 0.000 1.043 436 S CB 1.062 64.450 63.200 0.313 0.000 0.939 436 S HN 0.238 nan 8.310 nan 0.000 0.504 437 P HA -0.040 nan 4.420 nan 0.000 0.219 437 P C 0.992 178.314 177.300 0.037 0.000 1.146 437 P CA 1.266 64.404 63.100 0.063 0.000 0.808 437 P CB 0.036 31.723 31.700 -0.021 0.000 0.779 438 A N -2.350 120.519 122.820 0.082 0.000 2.168 438 A HA -0.035 4.284 4.320 -0.000 0.000 0.215 438 A C 1.126 178.576 177.584 -0.224 0.000 1.152 438 A CA 1.047 53.039 52.037 -0.074 0.000 0.716 438 A CB -1.165 17.776 19.000 -0.099 0.000 0.794 438 A HN 0.171 nan 8.150 nan 0.000 0.465 439 F N -2.407 117.590 119.950 0.077 0.000 2.775 439 F HA 0.320 4.847 4.527 -0.000 0.000 0.313 439 F C 0.167 175.906 175.800 -0.102 0.000 1.121 439 F CA -1.275 56.713 58.000 -0.020 0.000 1.206 439 F CB 0.130 39.190 39.000 0.100 0.000 1.052 439 F HN 0.154 nan 8.300 nan 0.000 0.524 440 F N 1.579 121.425 119.950 -0.175 0.000 2.612 440 F HA 0.351 4.878 4.527 -0.000 0.000 0.389 440 F C 1.352 176.696 175.800 -0.759 0.000 1.055 440 F CA 1.077 58.736 58.000 -0.569 0.000 1.232 440 F CB 0.390 39.026 39.000 -0.607 0.000 1.044 440 F HN 0.345 nan 8.300 nan 0.000 0.560 441 G N 3.415 110.903 108.800 -2.187 0.000 2.184 441 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.264 441 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.264 441 G C 0.564 175.174 174.900 -0.485 0.000 0.975 441 G CA 0.476 44.755 45.100 -1.368 0.000 0.642 441 G HN 0.743 nan 8.290 nan 0.000 0.536 442 V N -0.551 119.186 119.914 -0.296 0.000 2.635 442 V HA 0.375 4.495 4.120 -0.000 0.000 0.233 442 V C 1.049 177.253 176.094 0.183 0.000 1.097 442 V CA 1.830 64.082 62.300 -0.080 0.000 1.134 442 V CB 0.200 31.748 31.823 -0.458 0.000 0.841 442 V HN 0.293 nan 8.190 nan 0.000 0.496 443 K N 1.010 121.590 120.400 0.301 0.000 2.541 443 K HA 0.477 4.797 4.320 -0.000 0.000 0.250 443 K C -2.929 173.908 176.600 0.395 0.000 0.950 443 K CA -1.649 54.830 56.287 0.319 0.000 0.805 443 K CB 2.554 35.194 32.500 0.234 0.000 1.166 443 K HN 0.151 nan 8.250 nan 0.000 0.430 444 P HA 0.111 nan 4.420 nan 0.000 0.277 444 P C -0.156 177.145 177.300 0.000 0.000 1.240 444 P CA -0.216 62.808 63.100 -0.127 0.000 0.798 444 P CB 1.184 32.537 31.700 -0.579 0.000 0.979 445 A N 1.584 124.357 122.820 -0.078 0.000 1.903 445 A HA 0.147 4.467 4.320 -0.000 0.000 0.213 445 A C 0.491 178.023 177.584 -0.087 0.000 1.185 445 A CA 1.493 53.489 52.037 -0.069 0.000 0.628 445 A CB -0.505 18.482 19.000 -0.022 0.000 0.830 445 A HN 0.560 nan 8.150 nan 0.000 0.446 446 T N -0.876 113.604 114.554 -0.123 0.000 2.993 446 T HA 0.518 4.868 4.350 -0.000 0.000 0.312 446 T C -1.316 173.301 174.700 -0.139 0.000 1.115 446 T CA -0.400 61.644 62.100 -0.094 0.000 1.027 446 T CB 1.992 70.821 68.868 -0.066 0.000 1.116 446 T HN 0.007 nan 8.240 nan 0.000 0.464 447 V N 3.701 123.566 119.914 -0.081 0.000 2.376 447 V HA 0.488 4.608 4.120 -0.000 0.000 0.287 447 V C -0.419 175.658 176.094 -0.029 0.000 1.015 447 V CA -0.707 61.542 62.300 -0.084 0.000 0.834 447 V CB 1.106 32.888 31.823 -0.068 0.000 1.001 447 V HN 0.787 nan 8.190 nan 0.000 0.428 448 I N 5.167 125.726 120.570 -0.017 0.000 2.321 448 I HA 0.433 4.603 4.170 -0.000 0.000 0.291 448 I C 0.223 176.360 176.117 0.033 0.000 0.998 448 I CA -0.398 60.910 61.300 0.013 0.000 1.227 448 I CB 1.182 39.193 38.000 0.019 0.000 1.368 448 I HN 0.381 nan 8.210 nan 0.000 0.466 449 K N 4.611 125.035 120.400 0.040 0.000 2.339 449 K HA 0.330 4.650 4.320 -0.000 0.000 0.264 449 K C 0.533 177.167 176.600 0.057 0.000 0.986 449 K CA -0.288 56.029 56.287 0.051 0.000 0.866 449 K CB 1.727 34.256 32.500 0.048 0.000 1.103 449 K HN 0.905 nan 8.250 nan 0.000 0.441 450 G N 2.200 111.037 108.800 0.062 0.000 2.341 450 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.292 450 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.292 450 G C 0.725 175.670 174.900 0.074 0.000 1.021 450 G CA 0.929 46.069 45.100 0.067 0.000 0.905 450 G HN 1.068 nan 8.290 nan 0.000 0.508 451 G N -2.001 106.836 108.800 0.063 0.000 2.176 451 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.253 451 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.253 451 G C 0.215 175.137 174.900 0.038 0.000 0.979 451 G CA 0.973 46.104 45.100 0.052 0.000 0.641 451 G HN 1.279 nan 8.290 nan 0.000 0.530 452 M N 0.635 120.261 119.600 0.044 0.000 2.326 452 M HA 0.565 5.044 4.480 -0.000 0.000 0.306 452 M C 0.180 176.506 176.300 0.044 0.000 1.054 452 M CA -0.918 54.407 55.300 0.041 0.000 0.922 452 M CB 1.772 34.403 32.600 0.051 0.000 1.632 452 M HN 0.090 nan 8.290 nan 0.000 0.436 453 I N 3.134 123.730 120.570 0.043 0.000 2.662 453 I HA -0.015 4.155 4.170 -0.000 0.000 0.285 453 I C 0.906 177.048 176.117 0.042 0.000 1.161 453 I CA 0.151 61.471 61.300 0.034 0.000 1.415 453 I CB 0.861 38.880 38.000 0.032 0.000 1.385 453 I HN 0.883 nan 8.210 nan 0.000 0.552 454 A N 7.301 130.137 122.820 0.026 0.000 1.993 454 A HA 0.385 4.705 4.320 -0.000 0.000 0.207 454 A C 0.692 178.281 177.584 0.008 0.000 1.224 454 A CA 0.574 52.623 52.037 0.020 0.000 0.749 454 A CB 0.423 19.437 19.000 0.024 0.000 0.884 454 A HN 0.651 nan 8.150 nan 0.000 0.467 455 I N -1.697 118.884 120.570 0.018 0.000 2.827 455 I HA 0.623 4.793 4.170 -0.000 0.000 0.298 455 I C -1.231 174.928 176.117 0.071 0.000 1.235 455 I CA -0.552 60.775 61.300 0.046 0.000 1.021 455 I CB 2.211 40.253 38.000 0.069 0.000 1.259 455 I HN 0.270 nan 8.210 nan 0.000 0.427 456 A N 5.994 128.856 122.820 0.070 0.000 2.601 456 A HA 0.824 5.144 4.320 -0.000 0.000 0.291 456 A C -3.079 174.361 177.584 -0.239 0.000 1.075 456 A CA -1.229 50.798 52.037 -0.017 0.000 0.671 456 A CB 1.669 20.629 19.000 -0.066 0.000 1.277 456 A HN 0.327 nan 8.150 nan 0.000 0.417 457 P HA 0.518 nan 4.420 nan 0.000 0.276 457 P C -0.828 176.245 177.300 -0.377 0.000 1.235 457 P CA 0.129 62.810 63.100 -0.698 0.000 0.772 457 P CB 0.652 31.962 31.700 -0.649 0.000 0.871 458 M N 3.277 122.662 119.600 -0.359 0.000 2.271 458 M HA 0.592 5.072 4.480 -0.000 0.000 0.285 458 M C -0.235 175.902 176.300 -0.272 0.000 1.059 458 M CA -0.315 54.825 55.300 -0.267 0.000 0.940 458 M CB 1.502 33.962 32.600 -0.234 0.000 1.636 458 M HN 0.393 nan 8.290 nan 0.000 0.460 459 G N 1.388 110.081 108.800 -0.179 0.000 2.510 459 G HA2 0.254 4.214 3.960 -0.000 0.000 0.280 459 G HA3 0.254 4.214 3.960 -0.000 0.000 0.280 459 G C -0.835 174.003 174.900 -0.105 0.000 1.386 459 G CA -0.589 44.434 45.100 -0.130 0.000 1.047 459 G HN 0.756 nan 8.290 nan 0.000 0.527 460 D N -0.293 120.073 120.400 -0.056 0.000 2.923 460 D HA -0.123 4.517 4.640 -0.000 0.000 0.220 460 D C 1.640 177.916 176.300 -0.040 0.000 1.099 460 D CA -0.119 53.862 54.000 -0.032 0.000 0.807 460 D CB 0.274 41.065 40.800 -0.016 0.000 1.155 460 D HN 0.046 nan 8.370 nan 0.000 0.524 461 I N 3.573 124.121 120.570 -0.036 0.000 2.676 461 I HA -0.179 3.991 4.170 -0.000 0.000 0.259 461 I C 1.791 177.897 176.117 -0.019 0.000 1.194 461 I CA 0.854 62.134 61.300 -0.035 0.000 1.473 461 I CB -0.991 36.990 38.000 -0.033 0.000 1.096 461 I HN 0.419 nan 8.210 nan 0.000 0.443 462 N N 0.760 119.452 118.700 -0.012 0.000 2.236 462 N HA 0.173 4.913 4.740 -0.000 0.000 0.196 462 N C 0.617 176.122 175.510 -0.007 0.000 1.114 462 N CA 0.054 53.100 53.050 -0.007 0.000 0.859 462 N CB 0.386 38.871 38.487 -0.002 0.000 0.982 462 N HN 0.218 nan 8.380 nan 0.000 0.493 463 A N -0.456 122.357 122.820 -0.011 0.000 2.327 463 A HA 0.282 4.602 4.320 -0.000 0.000 0.255 463 A C 1.367 178.945 177.584 -0.009 0.000 1.099 463 A CA 0.191 52.221 52.037 -0.011 0.000 0.801 463 A CB 0.082 19.073 19.000 -0.016 0.000 1.062 463 A HN 0.443 nan 8.150 nan 0.000 0.496 464 S N -0.440 115.255 115.700 -0.008 0.000 2.489 464 S HA 0.165 4.635 4.470 -0.000 0.000 0.228 464 S C 0.542 175.139 174.600 -0.006 0.000 0.995 464 S CA 0.942 59.139 58.200 -0.005 0.000 0.934 464 S CB -0.954 62.243 63.200 -0.005 0.000 0.771 464 S HN 0.772 nan 8.310 nan 0.000 0.522 465 I N -2.947 117.617 120.570 -0.010 0.000 3.191 465 I HA 0.464 4.634 4.170 -0.000 0.000 0.313 465 I C -2.599 173.505 176.117 -0.021 0.000 1.193 465 I CA -2.770 58.523 61.300 -0.012 0.000 0.968 465 I CB 1.809 39.803 38.000 -0.011 0.000 1.262 465 I HN -0.359 nan 8.210 nan 0.000 0.456 466 P HA 0.024 nan 4.420 nan 0.000 0.249 466 P C 0.910 178.174 177.300 -0.059 0.000 1.229 466 P CA 0.614 63.688 63.100 -0.044 0.000 0.788 466 P CB 0.102 31.776 31.700 -0.043 0.000 1.072 467 T N -4.256 110.270 114.554 -0.047 0.000 3.057 467 T HA 0.209 4.559 4.350 -0.000 0.000 0.254 467 T C -1.584 173.088 174.700 -0.046 0.000 1.094 467 T CA -0.448 61.620 62.100 -0.052 0.000 1.088 467 T CB -1.861 66.983 68.868 -0.040 0.000 0.934 467 T HN 0.123 nan 8.240 nan 0.000 0.497 468 P HA 0.194 nan 4.420 nan 0.000 0.269 468 P C 0.123 177.407 177.300 -0.026 0.000 1.209 468 P CA -0.193 62.891 63.100 -0.026 0.000 0.776 468 P CB 0.395 32.084 31.700 -0.019 0.000 0.876 469 Q N 2.748 122.539 119.800 -0.014 0.000 2.417 469 Q HA 0.210 4.550 4.340 -0.000 0.000 0.241 469 Q C -1.921 174.088 176.000 0.015 0.000 1.008 469 Q CA -1.264 54.539 55.803 -0.001 0.000 0.901 469 Q CB -0.584 28.156 28.738 0.004 0.000 1.259 469 Q HN 0.400 nan 8.270 nan 0.000 0.489 470 P HA 0.201 nan 4.420 nan 0.000 0.285 470 P C -0.821 176.537 177.300 0.096 0.000 1.259 470 P CA -0.314 62.838 63.100 0.087 0.000 0.794 470 P CB 0.902 32.681 31.700 0.132 0.000 0.940 471 V N 5.400 125.341 119.914 0.045 0.000 2.370 471 V HA 0.361 4.481 4.120 -0.000 0.000 0.279 471 V C 0.174 176.269 176.094 0.001 0.000 1.029 471 V CA -0.134 62.129 62.300 -0.062 0.000 0.870 471 V CB 0.204 31.958 31.823 -0.116 0.000 0.984 471 V HN 0.854 nan 8.190 nan 0.000 0.451 472 H N 1.986 120.980 119.070 -0.126 0.000 3.016 472 H HA 0.628 5.184 4.556 -0.000 0.000 0.362 472 H C -1.521 173.721 175.328 -0.142 0.000 1.233 472 H CA -1.134 54.861 56.048 -0.089 0.000 1.124 472 H CB 0.740 30.517 29.762 0.025 0.000 1.850 472 H HN 0.373 nan 8.280 nan 0.000 0.549 473 Y N 1.266 121.605 120.300 0.065 0.000 2.632 473 Y HA 0.224 4.774 4.550 -0.000 0.000 0.329 473 Y C 0.632 176.526 175.900 -0.010 0.000 1.174 473 Y CA 0.363 58.460 58.100 -0.005 0.000 1.469 473 Y CB 0.449 38.922 38.460 0.022 0.000 1.242 473 Y HN 0.372 nan 8.280 nan 0.000 0.540 474 R N 4.242 124.751 120.500 0.015 0.000 2.744 474 R HA 0.437 4.777 4.340 -0.000 0.000 0.279 474 R C -2.920 173.365 176.300 -0.025 0.000 0.977 474 R CA -2.323 53.764 56.100 -0.023 0.000 0.906 474 R CB 1.528 31.747 30.300 -0.135 0.000 1.197 474 R HN 0.326 nan 8.270 nan 0.000 0.463 475 P HA 0.055 nan 4.420 nan 0.000 0.268 475 P C -0.506 176.709 177.300 -0.141 0.000 1.205 475 P CA 0.154 63.218 63.100 -0.061 0.000 0.771 475 P CB 0.628 32.292 31.700 -0.060 0.000 0.858 476 M N 1.457 120.976 119.600 -0.135 0.000 2.872 476 M HA 0.340 4.820 4.480 -0.000 0.000 0.290 476 M C 1.246 177.404 176.300 -0.235 0.000 1.180 476 M CA -0.790 54.378 55.300 -0.220 0.000 0.839 476 M CB -0.364 32.191 32.600 -0.074 0.000 1.667 476 M HN 0.219 nan 8.290 nan 0.000 0.512 477 F N 0.658 120.591 119.950 -0.029 0.000 2.202 477 F HA -0.061 4.466 4.527 -0.000 0.000 0.301 477 F C 2.241 178.020 175.800 -0.034 0.000 1.082 477 F CA 1.663 59.642 58.000 -0.035 0.000 1.313 477 F CB -1.118 37.859 39.000 -0.038 0.000 1.024 477 F HN 0.757 nan 8.300 nan 0.000 0.495 478 G N -0.636 108.240 108.800 0.127 0.000 2.470 478 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.220 478 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.220 478 G C 1.573 176.492 174.900 0.031 0.000 1.121 478 G CA 0.684 45.828 45.100 0.073 0.000 0.766 478 G HN 0.446 nan 8.290 nan 0.000 0.553 479 A N -0.398 122.423 122.820 0.002 0.000 2.387 479 A HA 0.600 4.920 4.320 -0.000 0.000 0.234 479 A C 0.606 178.162 177.584 -0.048 0.000 1.253 479 A CA -0.349 51.675 52.037 -0.022 0.000 0.894 479 A CB 0.122 19.107 19.000 -0.024 0.000 0.963 479 A HN 0.247 nan 8.150 nan 0.000 0.508 480 L N -0.204 120.995 121.223 -0.040 0.000 2.289 480 L HA 0.458 4.798 4.340 -0.000 0.000 0.285 480 L C 1.673 178.487 176.870 -0.094 0.000 1.049 480 L CA -0.079 54.730 54.840 -0.052 0.000 0.804 480 L CB 1.107 43.162 42.059 -0.007 0.000 1.195 480 L HN 0.534 nan 8.230 nan 0.000 0.428 481 G N 2.498 111.217 108.800 -0.136 0.000 2.679 481 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.373 481 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.373 481 G C 1.131 175.755 174.900 -0.461 0.000 1.114 481 G CA 1.092 46.054 45.100 -0.230 0.000 0.898 481 G HN 0.620 nan 8.290 nan 0.000 0.648 482 S N 0.821 116.380 115.700 -0.234 0.000 2.453 482 S HA 0.195 4.665 4.470 -0.000 0.000 0.231 482 S C 2.658 177.229 174.600 -0.048 0.000 1.005 482 S CA 1.534 59.662 58.200 -0.121 0.000 0.949 482 S CB -0.340 62.884 63.200 0.040 0.000 0.774 482 S HN 1.132 nan 8.310 nan 0.000 0.510 483 A N 1.763 124.552 122.820 -0.051 0.000 1.969 483 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 483 A C 2.065 179.663 177.584 0.023 0.000 1.169 483 A CA 1.070 53.109 52.037 0.004 0.000 0.635 483 A CB -0.402 18.612 19.000 0.024 0.000 0.810 483 A HN 0.398 nan 8.150 nan 0.000 0.445 484 R N -0.809 119.651 120.500 -0.068 0.000 2.066 484 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 484 R C 1.968 178.286 176.300 0.030 0.000 1.131 484 R CA 1.780 57.851 56.100 -0.047 0.000 0.955 484 R CB -0.546 29.684 30.300 -0.118 0.000 0.851 484 R HN 0.774 nan 8.270 nan 0.000 0.432 485 H N -1.822 117.270 119.070 0.037 0.000 2.319 485 H HA -0.212 4.344 4.556 -0.000 0.000 0.297 485 H C 2.052 177.390 175.328 0.017 0.000 1.097 485 H CA 1.855 57.911 56.048 0.013 0.000 1.285 485 H CB -0.217 29.554 29.762 0.015 0.000 1.368 485 H HN 0.447 nan 8.280 nan 0.000 0.495 486 H N -0.680 118.451 119.070 0.103 0.000 2.521 486 H HA -0.020 4.536 4.556 -0.000 0.000 0.286 486 H C 1.121 176.463 175.328 0.023 0.000 1.034 486 H CA 1.059 57.136 56.048 0.047 0.000 1.278 486 H CB 0.193 29.974 29.762 0.032 0.000 1.386 486 H HN 0.317 nan 8.280 nan 0.000 0.567 487 C N 1.321 120.703 119.300 0.137 0.000 2.974 487 C HA 0.283 4.743 4.460 -0.000 0.000 0.282 487 C C 0.510 175.520 174.990 0.032 0.000 1.292 487 C CA -0.392 58.681 59.018 0.091 0.000 1.710 487 C CB -1.213 26.586 27.740 0.098 0.000 2.036 487 C HN 0.518 nan 8.230 nan 0.000 0.629 488 R N -0.005 120.498 120.500 0.005 0.000 2.854 488 R HA 0.823 5.163 4.340 -0.000 0.000 0.271 488 R C -1.592 174.641 176.300 -0.113 0.000 0.994 488 R CA -0.670 55.412 56.100 -0.030 0.000 0.945 488 R CB 1.010 31.312 30.300 0.003 0.000 1.194 488 R HN 0.088 nan 8.270 nan 0.000 0.476 489 L N 0.984 122.082 121.223 -0.208 0.000 2.346 489 L HA 0.486 4.826 4.340 -0.000 0.000 0.274 489 L C -0.579 176.005 176.870 -0.478 0.000 1.007 489 L CA -0.915 53.683 54.840 -0.403 0.000 0.818 489 L CB 2.680 44.338 42.059 -0.669 0.000 1.284 489 L HN 0.747 nan 8.230 nan 0.000 0.424 490 T N 2.410 116.731 114.554 -0.389 0.000 2.809 490 T HA 0.474 4.824 4.350 -0.000 0.000 0.296 490 T C -0.488 174.069 174.700 -0.238 0.000 1.015 490 T CA -0.311 61.643 62.100 -0.243 0.000 0.954 490 T CB 0.157 68.950 68.868 -0.126 0.000 0.950 490 T HN 0.073 nan 8.240 nan 0.000 0.450 491 F N 3.794 123.763 119.950 0.032 0.000 2.445 491 F HA 0.434 4.961 4.527 -0.000 0.000 0.359 491 F C 0.532 176.359 175.800 0.045 0.000 1.101 491 F CA -0.739 57.290 58.000 0.049 0.000 1.177 491 F CB 0.285 39.327 39.000 0.070 0.000 1.110 491 F HN 0.221 nan 8.300 nan 0.000 0.522 492 L N 2.033 123.381 121.223 0.208 0.000 2.304 492 L HA 0.569 4.909 4.340 -0.000 0.000 0.268 492 L C 0.083 177.030 176.870 0.129 0.000 1.010 492 L CA -1.121 53.796 54.840 0.129 0.000 0.813 492 L CB 2.110 44.211 42.059 0.070 0.000 1.315 492 L HN 0.606 nan 8.230 nan 0.000 0.445 493 S N -0.764 114.988 115.700 0.088 0.000 2.610 493 S HA 0.205 4.675 4.470 -0.000 0.000 0.273 493 S C 0.475 175.107 174.600 0.055 0.000 1.274 493 S CA -0.699 57.544 58.200 0.071 0.000 1.023 493 S CB 1.567 64.799 63.200 0.053 0.000 0.962 493 S HN 0.666 nan 8.310 nan 0.000 0.523 494 Q N 1.189 121.015 119.800 0.044 0.000 2.135 494 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 494 Q C 2.404 178.417 176.000 0.022 0.000 0.981 494 Q CA 1.688 57.510 55.803 0.031 0.000 0.856 494 Q CB -0.600 28.149 28.738 0.018 0.000 0.902 494 Q HN 0.935 nan 8.270 nan 0.000 0.425 495 A N 1.085 123.917 122.820 0.020 0.000 1.873 495 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 495 A C 2.320 179.912 177.584 0.013 0.000 1.186 495 A CA 1.547 53.592 52.037 0.013 0.000 0.616 495 A CB -0.850 18.157 19.000 0.012 0.000 0.823 495 A HN 0.400 nan 8.150 nan 0.000 0.442 496 A N -0.163 122.668 122.820 0.018 0.000 1.902 496 A HA 0.166 4.486 4.320 -0.000 0.000 0.217 496 A C 2.488 180.079 177.584 0.012 0.000 1.181 496 A CA 2.087 54.132 52.037 0.014 0.000 0.623 496 A CB -0.991 18.021 19.000 0.020 0.000 0.818 496 A HN 1.068 nan 8.150 nan 0.000 0.443 497 A N -0.314 122.517 122.820 0.019 0.000 1.969 497 A HA 0.204 4.523 4.320 -0.000 0.000 0.218 497 A C 2.438 180.027 177.584 0.009 0.000 1.169 497 A CA 1.929 53.975 52.037 0.016 0.000 0.635 497 A CB -0.814 18.203 19.000 0.028 0.000 0.810 497 A HN 0.988 nan 8.150 nan 0.000 0.445 498 A N 0.194 123.020 122.820 0.010 0.000 1.929 498 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 498 A C 1.720 179.305 177.584 0.002 0.000 1.176 498 A CA 1.416 53.456 52.037 0.005 0.000 0.628 498 A CB -0.490 18.514 19.000 0.006 0.000 0.816 498 A HN 0.498 nan 8.150 nan 0.000 0.444 499 N N -0.237 118.464 118.700 0.001 0.000 2.550 499 N HA 0.035 4.775 4.740 -0.000 0.000 0.186 499 N C 1.099 176.606 175.510 -0.006 0.000 1.110 499 N CA 1.107 54.156 53.050 -0.002 0.000 0.912 499 N CB -0.124 38.363 38.487 -0.001 0.000 0.968 499 N HN 0.687 nan 8.380 nan 0.000 0.448 500 G N 0.010 108.806 108.800 -0.007 0.000 2.182 500 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 500 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 500 G C 0.966 175.854 174.900 -0.019 0.000 1.042 500 G CA 0.364 45.457 45.100 -0.013 0.000 0.775 500 G HN 0.209 nan 8.290 nan 0.000 0.501 501 V N 0.003 119.906 119.914 -0.018 0.000 2.392 501 V HA -0.135 3.985 4.120 -0.000 0.000 0.249 501 V C 3.179 179.250 176.094 -0.038 0.000 1.059 501 V CA 3.084 65.369 62.300 -0.026 0.000 1.051 501 V CB -0.843 30.968 31.823 -0.019 0.000 0.658 501 V HN 1.010 nan 8.190 nan 0.000 0.455 502 A N -0.329 122.469 122.820 -0.037 0.000 1.933 502 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 502 A C 2.126 179.678 177.584 -0.053 0.000 1.175 502 A CA 1.871 53.878 52.037 -0.050 0.000 0.628 502 A CB -0.373 18.598 19.000 -0.048 0.000 0.814 502 A HN 0.559 nan 8.150 nan 0.000 0.444 503 E N -0.722 119.453 120.200 -0.041 0.000 2.076 503 E HA -0.055 4.295 4.350 -0.000 0.000 0.190 503 E C 2.196 178.773 176.600 -0.039 0.000 0.979 503 E CA 1.000 57.378 56.400 -0.038 0.000 0.807 503 E CB -0.180 29.503 29.700 -0.028 0.000 0.761 503 E HN 0.588 nan 8.360 nan 0.000 0.454 504 R N 0.239 120.717 120.500 -0.038 0.000 2.075 504 R HA -0.011 4.329 4.340 -0.000 0.000 0.232 504 R C 1.827 178.096 176.300 -0.052 0.000 1.126 504 R CA 0.980 57.057 56.100 -0.038 0.000 0.963 504 R CB -0.105 30.175 30.300 -0.033 0.000 0.858 504 R HN 0.195 nan 8.270 nan 0.000 0.435 505 L N 0.466 121.651 121.223 -0.063 0.000 2.492 505 L HA 0.017 4.356 4.340 -0.000 0.000 0.223 505 L C 0.638 177.457 176.870 -0.085 0.000 1.132 505 L CA 0.248 55.039 54.840 -0.083 0.000 0.850 505 L CB -0.277 41.725 42.059 -0.095 0.000 0.966 505 L HN 0.436 nan 8.230 nan 0.000 0.454 506 N N 1.017 119.672 118.700 -0.075 0.000 2.754 506 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 506 N C -0.344 175.102 175.510 -0.107 0.000 1.093 506 N CA -0.058 52.945 53.050 -0.079 0.000 0.699 506 N CB -0.433 38.013 38.487 -0.068 0.000 1.016 506 N HN 0.032 nan 8.380 nan 0.000 0.552 507 L N 1.113 122.268 121.223 -0.114 0.000 2.490 507 L HA 0.036 4.376 4.340 -0.000 0.000 0.274 507 L C 1.834 178.597 176.870 -0.179 0.000 1.201 507 L CA 0.931 55.683 54.840 -0.147 0.000 0.869 507 L CB 0.672 42.657 42.059 -0.122 0.000 1.123 507 L HN 0.146 nan 8.230 nan 0.000 0.484 508 R N 0.212 120.538 120.500 -0.289 0.000 2.254 508 R HA 0.175 4.515 4.340 -0.000 0.000 0.193 508 R C 0.563 176.701 176.300 -0.269 0.000 0.929 508 R CA 0.107 55.998 56.100 -0.349 0.000 1.038 508 R CB 0.130 30.038 30.300 -0.654 0.000 1.009 508 R HN 0.636 nan 8.270 nan 0.000 0.512 509 S N 0.568 116.128 115.700 -0.234 0.000 2.608 509 S HA 0.473 4.943 4.470 -0.000 0.000 0.261 509 S C 0.232 174.765 174.600 -0.113 0.000 1.314 509 S CA -0.476 57.665 58.200 -0.099 0.000 0.992 509 S CB 1.078 64.239 63.200 -0.065 0.000 0.935 509 S HN 0.387 nan 8.310 nan 0.000 0.564 510 A N 1.464 124.211 122.820 -0.121 0.000 2.466 510 A HA 0.419 4.739 4.320 -0.000 0.000 0.238 510 A C -0.123 177.369 177.584 -0.154 0.000 1.074 510 A CA -0.046 51.902 52.037 -0.149 0.000 0.774 510 A CB -0.194 18.698 19.000 -0.180 0.000 1.015 510 A HN 0.596 nan 8.150 nan 0.000 0.498 511 I N 0.704 121.198 120.570 -0.126 0.000 2.474 511 I HA 0.594 4.764 4.170 -0.000 0.000 0.294 511 I C 0.486 176.551 176.117 -0.087 0.000 1.005 511 I CA -0.114 61.119 61.300 -0.111 0.000 1.113 511 I CB 1.156 39.119 38.000 -0.061 0.000 1.289 511 I HN 0.763 nan 8.210 nan 0.000 0.436 512 A N 6.006 128.771 122.820 -0.090 0.000 2.423 512 A HA 0.867 5.187 4.320 -0.000 0.000 0.304 512 A C -1.086 176.610 177.584 0.186 0.000 1.104 512 A CA -0.534 51.527 52.037 0.041 0.000 0.757 512 A CB 1.893 20.882 19.000 -0.019 0.000 1.313 512 A HN 0.388 nan 8.150 nan 0.000 0.423 513 V N 1.222 121.303 119.914 0.278 0.000 2.680 513 V HA 0.564 4.684 4.120 -0.000 0.000 0.309 513 V C 0.068 176.356 176.094 0.324 0.000 1.052 513 V CA -0.520 61.928 62.300 0.246 0.000 0.908 513 V CB 1.808 33.715 31.823 0.141 0.000 1.001 513 V HN 1.090 nan 8.190 nan 0.000 0.431 514 V N 2.501 122.554 119.914 0.233 0.000 2.686 514 V HA 0.833 4.953 4.120 -0.000 0.000 0.295 514 V C -0.445 175.683 176.094 0.057 0.000 1.057 514 V CA -0.452 61.957 62.300 0.182 0.000 1.012 514 V CB 1.130 33.030 31.823 0.129 0.000 1.006 514 V HN 1.059 nan 8.190 nan 0.000 0.477 515 K N 2.111 122.506 120.400 -0.008 0.000 2.578 515 K HA 0.657 4.977 4.320 -0.000 0.000 0.269 515 K C -0.027 176.533 176.600 -0.066 0.000 0.941 515 K CA -0.474 55.774 56.287 -0.065 0.000 0.847 515 K CB 1.441 33.859 32.500 -0.135 0.000 1.397 515 K HN 2.101 nan 8.250 nan 0.000 0.422 516 G N 1.051 109.819 108.800 -0.054 0.000 2.248 516 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.252 516 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.252 516 G C 0.391 175.263 174.900 -0.047 0.000 1.085 516 G CA 0.032 45.103 45.100 -0.049 0.000 0.845 516 G HN 0.660 nan 8.290 nan 0.000 0.494 517 C N -0.573 118.697 119.300 -0.049 0.000 2.551 517 C HA 0.190 4.650 4.460 -0.000 0.000 0.277 517 C C 2.494 177.441 174.990 -0.071 0.000 1.349 517 C CA 0.821 59.796 59.018 -0.070 0.000 1.750 517 C CB -0.304 27.396 27.740 -0.066 0.000 2.058 517 C HN 0.614 nan 8.230 nan 0.000 0.518 518 R N 1.443 121.911 120.500 -0.052 0.000 2.173 518 R HA -0.004 4.336 4.340 -0.000 0.000 0.208 518 R C 1.975 178.249 176.300 -0.043 0.000 1.035 518 R CA 1.610 57.682 56.100 -0.047 0.000 1.004 518 R CB -1.474 28.804 30.300 -0.036 0.000 0.917 518 R HN 0.685 nan 8.270 nan 0.000 0.462 519 T N -0.323 114.206 114.554 -0.042 0.000 3.043 519 T HA 0.050 4.400 4.350 -0.000 0.000 0.263 519 T C 1.312 175.988 174.700 -0.040 0.000 1.094 519 T CA 0.112 62.190 62.100 -0.037 0.000 1.127 519 T CB -0.594 68.255 68.868 -0.033 0.000 0.905 519 T HN 0.029 nan 8.240 nan 0.000 0.490 520 V N 1.622 121.505 119.914 -0.051 0.000 2.843 520 V HA 0.445 4.565 4.120 -0.000 0.000 0.305 520 V C -0.214 175.849 176.094 -0.053 0.000 1.065 520 V CA -0.977 61.289 62.300 -0.056 0.000 1.116 520 V CB 0.311 32.088 31.823 -0.076 0.000 0.968 520 V HN 0.731 nan 8.190 nan 0.000 0.487 521 Q N 1.768 121.540 119.800 -0.047 0.000 2.687 521 Q HA 0.514 4.854 4.340 -0.000 0.000 0.305 521 Q C 0.335 176.311 176.000 -0.039 0.000 1.006 521 Q CA -1.088 54.692 55.803 -0.038 0.000 0.763 521 Q CB 1.506 30.230 28.738 -0.024 0.000 1.506 521 Q HN 0.379 nan 8.270 nan 0.000 0.459 522 K N 0.697 121.081 120.400 -0.027 0.000 2.103 522 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 522 K C 1.811 178.400 176.600 -0.019 0.000 1.048 522 K CA 2.226 58.498 56.287 -0.024 0.000 0.930 522 K CB -0.845 31.650 32.500 -0.009 0.000 0.716 522 K HN 0.654 nan 8.250 nan 0.000 0.444 523 A N 0.722 123.533 122.820 -0.014 0.000 2.076 523 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 523 A C 1.340 178.914 177.584 -0.018 0.000 1.160 523 A CA 1.951 53.983 52.037 -0.009 0.000 0.653 523 A CB -0.449 18.547 19.000 -0.006 0.000 0.801 523 A HN 0.395 nan 8.150 nan 0.000 0.455 524 D N -0.541 119.840 120.400 -0.031 0.000 2.355 524 D HA 0.034 4.674 4.640 -0.000 0.000 0.218 524 D C 0.328 176.589 176.300 -0.065 0.000 1.004 524 D CA 0.280 54.253 54.000 -0.045 0.000 0.880 524 D CB -0.115 40.657 40.800 -0.047 0.000 0.911 524 D HN 0.294 nan 8.370 nan 0.000 0.528 525 M N 1.835 121.399 119.600 -0.060 0.000 2.350 525 M HA 0.068 4.548 4.480 -0.000 0.000 0.338 525 M C -0.030 176.221 176.300 -0.082 0.000 1.559 525 M CA -0.263 54.993 55.300 -0.073 0.000 1.217 525 M CB 0.513 33.080 32.600 -0.055 0.000 1.808 525 M HN -0.319 nan 8.290 nan 0.000 0.458 526 V N 6.367 126.190 119.914 -0.152 0.000 2.583 526 V HA -0.150 3.970 4.120 -0.000 0.000 0.302 526 V C 1.291 177.291 176.094 -0.156 0.000 1.033 526 V CA 0.612 62.755 62.300 -0.261 0.000 1.194 526 V CB -0.967 30.599 31.823 -0.428 0.000 0.879 526 V HN 0.894 nan 8.190 nan 0.000 0.482 527 H N 2.456 121.561 119.070 0.057 0.000 3.580 527 H HA -0.171 4.385 4.556 -0.000 0.000 0.224 527 H C 0.684 176.049 175.328 0.061 0.000 1.047 527 H CA 1.486 57.593 56.048 0.098 0.000 1.204 527 H CB -1.202 28.541 29.762 -0.031 0.000 1.193 527 H HN 0.856 nan 8.280 nan 0.000 0.319 528 N N 0.201 118.967 118.700 0.110 0.000 2.703 528 N HA 0.146 4.886 4.740 -0.000 0.000 0.283 528 N C 0.058 175.594 175.510 0.044 0.000 1.851 528 N CA 0.627 53.716 53.050 0.066 0.000 0.826 528 N CB 1.014 39.515 38.487 0.024 0.000 1.239 528 N HN 0.279 nan 8.380 nan 0.000 0.495 529 S N -0.630 115.106 115.700 0.060 0.000 2.663 529 S HA 0.161 4.631 4.470 -0.000 0.000 0.243 529 S C 0.273 174.896 174.600 0.039 0.000 1.009 529 S CA -0.447 57.775 58.200 0.036 0.000 0.988 529 S CB 0.282 63.501 63.200 0.032 0.000 0.896 529 S HN 0.233 nan 8.310 nan 0.000 0.502 530 L N 2.460 123.714 121.223 0.051 0.000 2.426 530 L HA 0.401 4.741 4.340 -0.000 0.000 0.271 530 L C -0.243 176.646 176.870 0.031 0.000 1.169 530 L CA 0.828 55.694 54.840 0.044 0.000 0.836 530 L CB 0.635 42.727 42.059 0.054 0.000 1.112 530 L HN 0.314 nan 8.230 nan 0.000 0.465 531 Q N 6.320 126.130 119.800 0.016 0.000 2.616 531 Q HA 0.406 4.746 4.340 -0.000 0.000 0.250 531 Q C -2.342 173.651 176.000 -0.012 0.000 0.991 531 Q CA -1.570 54.230 55.803 -0.004 0.000 0.707 531 Q CB 1.365 30.088 28.738 -0.024 0.000 1.247 531 Q HN 0.540 nan 8.270 nan 0.000 0.491 532 P HA 0.133 nan 4.420 nan 0.000 0.284 532 P C -0.663 176.627 177.300 -0.018 0.000 1.258 532 P CA -0.614 62.485 63.100 -0.002 0.000 0.824 532 P CB 1.012 32.720 31.700 0.014 0.000 1.038 533 N N 2.468 121.157 118.700 -0.019 0.000 2.739 533 N HA 0.115 4.855 4.740 -0.000 0.000 0.266 533 N C -0.548 174.956 175.510 -0.009 0.000 1.168 533 N CA -0.127 52.908 53.050 -0.024 0.000 1.055 533 N CB -1.039 37.435 38.487 -0.021 0.000 1.393 533 N HN 0.434 nan 8.380 nan 0.000 0.514 534 I N 2.051 122.619 120.570 -0.002 0.000 2.428 534 I HA 0.432 4.602 4.170 -0.000 0.000 0.296 534 I C -0.301 175.827 176.117 0.018 0.000 0.985 534 I CA -0.279 61.029 61.300 0.014 0.000 1.260 534 I CB 1.124 39.144 38.000 0.033 0.000 1.389 534 I HN 0.447 nan 8.210 nan 0.000 0.484 535 T N 3.784 118.349 114.554 0.018 0.000 2.896 535 T HA 0.682 5.032 4.350 -0.000 0.000 0.297 535 T C -0.919 173.797 174.700 0.026 0.000 1.108 535 T CA -0.745 61.367 62.100 0.019 0.000 1.004 535 T CB 1.908 70.781 68.868 0.009 0.000 1.159 535 T HN 0.282 nan 8.240 nan 0.000 0.499 536 V N 1.259 121.193 119.914 0.033 0.000 2.638 536 V HA 0.401 4.521 4.120 -0.000 0.000 0.306 536 V C -0.622 175.503 176.094 0.053 0.000 1.052 536 V CA -0.880 61.451 62.300 0.052 0.000 0.885 536 V CB 1.890 33.753 31.823 0.067 0.000 0.999 536 V HN 1.048 nan 8.190 nan 0.000 0.424 537 D N 3.081 123.517 120.400 0.060 0.000 2.348 537 D HA 0.279 4.919 4.640 -0.000 0.000 0.253 537 D C 1.071 177.415 176.300 0.072 0.000 1.161 537 D CA 0.391 54.410 54.000 0.032 0.000 0.876 537 D CB 2.211 43.008 40.800 -0.005 0.000 1.160 537 D HN 0.688 nan 8.370 nan 0.000 0.459 538 A N 3.954 126.793 122.820 0.033 0.000 2.032 538 A HA -0.254 4.066 4.320 -0.000 0.000 0.221 538 A C 1.691 179.300 177.584 0.042 0.000 1.165 538 A CA 1.717 53.790 52.037 0.060 0.000 0.645 538 A CB 0.001 18.994 19.000 -0.012 0.000 0.807 538 A HN 0.652 nan 8.150 nan 0.000 0.453 539 Q N -1.999 117.714 119.800 -0.146 0.000 2.580 539 Q HA 0.044 4.384 4.340 -0.000 0.000 0.239 539 Q C 1.923 177.461 176.000 -0.770 0.000 0.873 539 Q CA 1.079 56.652 55.803 -0.383 0.000 0.951 539 Q CB -0.265 28.348 28.738 -0.209 0.000 1.172 539 Q HN 0.623 nan 8.270 nan 0.000 0.616 540 T N -2.168 112.131 114.554 -0.425 0.000 3.055 540 T HA -0.062 4.287 4.350 -0.000 0.000 0.265 540 T C -0.112 174.434 174.700 -0.256 0.000 1.111 540 T CA 0.410 62.304 62.100 -0.343 0.000 1.118 540 T CB -0.232 68.549 68.868 -0.146 0.000 0.909 540 T HN 0.251 nan 8.240 nan 0.000 0.501 541 Y N 0.606 120.900 120.300 -0.009 0.000 4.753 541 Y HA -0.205 4.345 4.550 -0.000 0.000 0.232 541 Y C 0.357 176.246 175.900 -0.019 0.000 1.029 541 Y CA -0.284 57.809 58.100 -0.011 0.000 1.996 541 Y CB -2.970 35.483 38.460 -0.010 0.000 1.602 541 Y HN 0.502 nan 8.280 nan 0.000 0.621 542 E N 0.403 120.654 120.200 0.086 0.000 2.415 542 E HA 0.298 4.648 4.350 -0.000 0.000 0.263 542 E C 0.028 176.652 176.600 0.040 0.000 0.995 542 E CA -0.037 56.388 56.400 0.043 0.000 0.915 542 E CB 1.020 30.726 29.700 0.010 0.000 0.951 542 E HN 0.028 nan 8.360 nan 0.000 0.449 543 V N 4.895 124.822 119.914 0.021 0.000 2.439 543 V HA 0.336 4.456 4.120 -0.000 0.000 0.282 543 V C 0.203 176.299 176.094 0.003 0.000 1.039 543 V CA -0.328 61.979 62.300 0.012 0.000 0.913 543 V CB 1.142 32.960 31.823 -0.008 0.000 0.983 543 V HN 0.606 nan 8.190 nan 0.000 0.460 544 R N 3.015 123.518 120.500 0.006 0.000 2.628 544 R HA 0.752 5.092 4.340 -0.000 0.000 0.288 544 R C -1.760 174.542 176.300 0.002 0.000 0.980 544 R CA -0.727 55.374 56.100 0.002 0.000 0.891 544 R CB 2.623 32.924 30.300 0.002 0.000 1.188 544 R HN 0.483 nan 8.270 nan 0.000 0.450 545 V N 3.030 122.944 119.914 -0.000 0.000 2.444 545 V HA 0.158 4.278 4.120 -0.000 0.000 0.294 545 V C -0.299 175.794 176.094 -0.001 0.000 1.022 545 V CA -0.505 61.795 62.300 0.000 0.000 0.850 545 V CB 1.559 33.382 31.823 0.000 0.000 0.992 545 V HN 0.851 nan 8.190 nan 0.000 0.426 546 D N 4.266 124.665 120.400 -0.002 0.000 2.911 546 D HA -0.213 4.427 4.640 -0.000 0.000 0.227 546 D C 1.354 177.653 176.300 -0.002 0.000 1.164 546 D CA 2.114 56.113 54.000 -0.003 0.000 0.782 546 D CB -1.097 39.702 40.800 -0.002 0.000 1.094 546 D HN 1.340 nan 8.370 nan 0.000 0.425 547 G N -0.264 108.534 108.800 -0.002 0.000 2.454 547 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.225 547 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.225 547 G C 0.155 175.055 174.900 -0.001 0.000 1.138 547 G CA 0.571 45.669 45.100 -0.002 0.000 0.667 547 G HN 0.727 nan 8.290 nan 0.000 0.512 548 E N 1.759 121.959 120.200 -0.000 0.000 2.413 548 E HA 0.444 4.793 4.350 -0.000 0.000 0.263 548 E C 0.202 176.803 176.600 0.000 0.000 1.015 548 E CA -0.620 55.781 56.400 0.001 0.000 0.916 548 E CB 1.175 30.877 29.700 0.003 0.000 0.947 548 E HN 0.472 nan 8.360 nan 0.000 0.440 549 L N 3.839 125.062 121.223 0.001 0.000 2.380 549 L HA 0.187 4.527 4.340 -0.000 0.000 0.273 549 L C -0.757 176.112 176.870 -0.002 0.000 1.138 549 L CA -0.106 54.734 54.840 -0.000 0.000 0.832 549 L CB 0.654 42.713 42.059 0.001 0.000 1.124 549 L HN 0.603 nan 8.230 nan 0.000 0.454 550 I N 4.494 125.059 120.570 -0.008 0.000 2.354 550 I HA 0.534 4.704 4.170 -0.000 0.000 0.292 550 I C 0.196 176.300 176.117 -0.021 0.000 0.989 550 I CA -0.097 61.194 61.300 -0.015 0.000 1.188 550 I CB 1.010 38.994 38.000 -0.027 0.000 1.342 550 I HN 0.690 nan 8.210 nan 0.000 0.457 551 T N 3.969 118.516 114.554 -0.012 0.000 2.733 551 T HA 0.627 4.977 4.350 -0.000 0.000 0.312 551 T C -1.325 173.387 174.700 0.022 0.000 1.590 551 T CA -0.337 61.756 62.100 -0.011 0.000 1.005 551 T CB 1.338 70.208 68.868 0.003 0.000 1.528 551 T HN 0.803 nan 8.240 nan 0.000 0.496 552 S N 1.285 117.019 115.700 0.057 0.000 2.596 552 S HA 0.749 5.219 4.470 -0.000 0.000 0.270 552 S C -1.687 173.055 174.600 0.238 0.000 1.155 552 S CA -0.927 57.346 58.200 0.121 0.000 0.827 552 S CB 2.031 65.306 63.200 0.125 0.000 1.130 552 S HN 0.692 nan 8.310 nan 0.000 0.467 553 E N 1.878 122.188 120.200 0.184 0.000 2.242 553 E HA 0.462 4.812 4.350 -0.000 0.000 0.275 553 E C -2.546 174.054 176.600 -0.001 0.000 1.002 553 E CA -2.257 54.224 56.400 0.135 0.000 0.841 553 E CB 1.409 31.139 29.700 0.050 0.000 1.109 553 E HN 0.511 nan 8.360 nan 0.000 0.394 554 P HA 0.101 nan 4.420 nan 0.000 0.276 554 P C -0.794 176.335 177.300 -0.285 0.000 1.243 554 P CA -0.161 62.511 63.100 -0.713 0.000 0.768 554 P CB 0.751 31.860 31.700 -0.985 0.000 0.856 555 A N 3.700 126.407 122.820 -0.188 0.000 2.407 555 A HA 0.189 4.509 4.320 -0.000 0.000 0.248 555 A C 1.235 178.772 177.584 -0.079 0.000 1.082 555 A CA -0.285 51.707 52.037 -0.074 0.000 0.785 555 A CB 0.072 19.068 19.000 -0.008 0.000 1.020 555 A HN 0.667 nan 8.150 nan 0.000 0.489 556 D N 0.435 120.810 120.400 -0.041 0.000 2.388 556 D HA 0.118 4.758 4.640 -0.000 0.000 0.208 556 D C -0.029 176.264 176.300 -0.012 0.000 1.035 556 D CA 0.487 54.467 54.000 -0.034 0.000 0.875 556 D CB 0.130 40.913 40.800 -0.028 0.000 0.984 556 D HN 0.205 nan 8.370 nan 0.000 0.508 557 V N 1.027 120.944 119.914 0.005 0.000 2.808 557 V HA 0.422 4.542 4.120 -0.000 0.000 0.308 557 V C -0.650 175.461 176.094 0.028 0.000 1.099 557 V CA -0.856 61.452 62.300 0.014 0.000 0.920 557 V CB 2.600 34.431 31.823 0.013 0.000 1.014 557 V HN 0.052 nan 8.190 nan 0.000 0.425 558 L N 4.367 125.601 121.223 0.019 0.000 2.333 558 L HA 0.676 5.016 4.340 -0.000 0.000 0.263 558 L C -2.432 174.419 176.870 -0.033 0.000 1.014 558 L CA -1.753 53.090 54.840 0.005 0.000 0.820 558 L CB 2.810 44.882 42.059 0.022 0.000 1.352 558 L HN 0.456 nan 8.230 nan 0.000 0.421 559 P HA 0.348 nan 4.420 nan 0.000 0.289 559 P C -0.334 176.974 177.300 0.012 0.000 1.299 559 P CA -0.590 62.443 63.100 -0.111 0.000 0.766 559 P CB 0.350 31.863 31.700 -0.312 0.000 1.226 560 M N -2.546 117.121 119.600 0.112 0.000 2.253 560 M HA -0.281 4.199 4.480 -0.000 0.000 0.199 560 M C 0.229 176.700 176.300 0.284 0.000 0.342 560 M CA 0.785 56.154 55.300 0.114 0.000 0.417 560 M CB -2.045 30.526 32.600 -0.048 0.000 1.338 560 M HN 0.489 nan 8.290 nan 0.000 0.920 561 A N -0.418 122.604 122.820 0.336 0.000 2.446 561 A HA 0.291 4.611 4.320 -0.000 0.000 0.199 561 A C 1.013 178.802 177.584 0.342 0.000 1.677 561 A CA 0.116 52.351 52.037 0.330 0.000 1.600 561 A CB 0.080 19.174 19.000 0.155 0.000 1.583 561 A HN 0.460 nan 8.150 nan 0.000 0.551 562 Q N -0.108 119.794 119.800 0.170 0.000 2.508 562 Q HA -0.109 4.231 4.340 -0.000 0.000 0.214 562 Q C 1.798 177.800 176.000 0.004 0.000 0.979 562 Q CA 1.253 57.117 55.803 0.102 0.000 0.911 562 Q CB -0.085 28.680 28.738 0.045 0.000 0.969 562 Q HN 0.540 nan 8.270 nan 0.000 0.504 563 R N -0.592 119.858 120.500 -0.083 0.000 2.276 563 R HA -0.062 4.278 4.340 -0.000 0.000 0.196 563 R C 0.599 176.567 176.300 -0.554 0.000 0.961 563 R CA 0.725 56.608 56.100 -0.362 0.000 1.024 563 R CB 0.374 30.346 30.300 -0.547 0.000 0.940 563 R HN 0.239 nan 8.270 nan 0.000 0.480 564 Y N -1.870 118.342 120.300 -0.146 0.000 2.467 564 Y HA 0.288 4.838 4.550 -0.000 0.000 0.259 564 Y C -0.184 175.418 175.900 -0.496 0.000 1.084 564 Y CA -0.563 57.341 58.100 -0.327 0.000 1.275 564 Y CB 0.562 38.712 38.460 -0.517 0.000 1.208 564 Y HN -0.169 nan 8.280 nan 0.000 0.511 565 F N 0.134 120.190 119.950 0.176 0.000 2.421 565 F HA 0.291 4.818 4.527 -0.000 0.000 0.337 565 F C 0.797 176.606 175.800 0.016 0.000 1.105 565 F CA -0.978 57.093 58.000 0.118 0.000 1.049 565 F CB 1.402 40.475 39.000 0.122 0.000 1.139 565 F HN -0.202 nan 8.300 nan 0.000 0.479 566 L N 2.029 123.336 121.223 0.140 0.000 2.291 566 L HA 0.176 4.516 4.340 -0.000 0.000 0.214 566 L C -0.592 176.015 176.870 -0.438 0.000 1.120 566 L CA 1.659 56.396 54.840 -0.171 0.000 0.799 566 L CB -0.403 41.536 42.059 -0.200 0.000 0.925 566 L HN 0.426 nan 8.230 nan 0.000 0.446 567 F N 0.000 120.044 119.950 0.157 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.054 58.000 0.089 0.000 1.383 567 F CB 0.000 39.033 39.000 0.055 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574