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 1p4j_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.985 176.000 -0.025 0.000 1.003 12 Q CA 0.000 55.777 55.803 -0.043 0.000 1.022 12 Q CB 0.000 28.711 28.738 -0.045 0.000 1.108 13 I N -0.570 119.991 120.570 -0.015 0.000 2.525 13 I HA 0.770 4.934 4.170 -0.009 0.000 0.301 13 I C 1.416 177.535 176.117 0.003 0.000 0.992 13 I CA -0.035 61.264 61.300 -0.002 0.000 1.162 13 I CB 2.278 40.282 38.000 0.006 0.000 1.332 13 I HN 0.910 nan 8.210 nan 0.000 0.458 14 S N 3.843 119.549 115.700 0.011 0.000 2.359 14 S HA -0.211 4.253 4.470 -0.009 0.000 0.223 14 S C 1.776 176.387 174.600 0.018 0.000 1.039 14 S CA 1.532 59.741 58.200 0.014 0.000 1.042 14 S CB -1.328 61.885 63.200 0.022 0.000 0.915 14 S HN 0.932 nan 8.310 nan 0.000 0.439 15 V N -0.203 119.730 119.914 0.031 0.000 3.140 15 V HA 0.069 4.184 4.120 -0.009 0.000 0.269 15 V C 2.041 178.151 176.094 0.026 0.000 1.149 15 V CA 1.520 63.841 62.300 0.036 0.000 1.162 15 V CB -1.191 30.661 31.823 0.049 0.000 0.756 15 V HN 0.428 nan 8.190 nan 0.000 0.523 16 R N 1.068 121.575 120.500 0.011 0.000 2.334 16 R HA 0.445 4.780 4.340 -0.009 0.000 0.220 16 R C 1.134 177.425 176.300 -0.015 0.000 0.917 16 R CA 0.550 56.650 56.100 -0.000 0.000 1.073 16 R CB 0.138 30.434 30.300 -0.006 0.000 1.056 16 R HN 0.774 nan 8.270 nan 0.000 0.506 17 G N 0.681 109.472 108.800 -0.016 0.000 2.660 17 G HA2 -0.209 3.745 3.960 -0.009 0.000 0.247 17 G HA3 -0.209 3.745 3.960 -0.009 0.000 0.247 17 G C -1.023 173.861 174.900 -0.026 0.000 1.328 17 G CA -1.050 44.032 45.100 -0.030 0.000 0.884 17 G HN -0.020 nan 8.290 nan 0.000 0.531 18 L N 0.236 121.441 121.223 -0.031 0.000 2.334 18 L HA 0.734 5.068 4.340 -0.009 0.000 0.275 18 L C 1.131 177.986 176.870 -0.025 0.000 1.036 18 L CA 0.065 54.890 54.840 -0.024 0.000 0.807 18 L CB 1.202 43.247 42.059 -0.022 0.000 1.231 18 L HN 1.553 nan 8.230 nan 0.000 0.438 19 A N 1.996 124.805 122.820 -0.019 0.000 3.173 19 A HA 0.556 4.870 4.320 -0.009 0.000 0.304 19 A C 0.804 178.384 177.584 -0.007 0.000 1.318 19 A CA -0.337 51.691 52.037 -0.014 0.000 1.069 19 A CB -0.571 18.421 19.000 -0.014 0.000 1.147 19 A HN 0.810 nan 8.150 nan 0.000 0.547 20 G N -0.254 108.542 108.800 -0.008 0.000 2.414 20 G HA2 0.298 4.253 3.960 -0.009 0.000 0.236 20 G HA3 0.298 4.253 3.960 -0.009 0.000 0.236 20 G C 1.030 175.934 174.900 0.006 0.000 1.293 20 G CA 0.074 45.173 45.100 -0.001 0.000 0.869 20 G HN 0.436 nan 8.290 nan 0.000 0.556 21 V N 2.117 122.036 119.914 0.008 0.000 2.287 21 V HA -0.188 3.927 4.120 -0.009 0.000 0.248 21 V C 2.697 178.801 176.094 0.017 0.000 1.053 21 V CA 2.448 64.756 62.300 0.012 0.000 1.027 21 V CB -0.702 31.128 31.823 0.011 0.000 0.646 21 V HN 0.770 nan 8.190 nan 0.000 0.447 22 E N 0.409 120.619 120.200 0.018 0.000 2.051 22 E HA -0.179 4.166 4.350 -0.009 0.000 0.192 22 E C 2.095 178.716 176.600 0.035 0.000 0.991 22 E CA 1.558 57.973 56.400 0.025 0.000 0.799 22 E CB -0.322 29.392 29.700 0.023 0.000 0.748 22 E HN 0.609 nan 8.360 nan 0.000 0.449 23 N N -0.838 117.881 118.700 0.032 0.000 2.188 23 N HA -0.117 4.618 4.740 -0.009 0.000 0.184 23 N C 1.564 177.101 175.510 0.045 0.000 1.018 23 N CA 0.910 53.986 53.050 0.043 0.000 0.858 23 N CB -0.009 38.489 38.487 0.018 0.000 0.989 23 N HN -0.026 nan 8.380 nan 0.000 0.426 24 V N 0.138 120.070 119.914 0.029 0.000 2.407 24 V HA -0.213 3.901 4.120 -0.009 0.000 0.248 24 V C 1.962 178.079 176.094 0.038 0.000 1.055 24 V CA 1.802 64.119 62.300 0.028 0.000 1.049 24 V CB -0.845 30.990 31.823 0.020 0.000 0.662 24 V HN 0.409 nan 8.190 nan 0.000 0.455 25 T N -0.545 114.031 114.554 0.038 0.000 2.777 25 T HA -0.195 4.149 4.350 -0.009 0.000 0.266 25 T C 1.920 176.655 174.700 0.059 0.000 1.040 25 T CA 1.673 63.797 62.100 0.040 0.000 1.141 25 T CB -0.173 68.714 68.868 0.032 0.000 0.868 25 T HN 0.479 nan 8.240 nan 0.000 0.444 26 E N 1.203 121.445 120.200 0.070 0.000 2.077 26 E HA -0.037 4.307 4.350 -0.009 0.000 0.193 26 E C 2.041 178.720 176.600 0.131 0.000 0.989 26 E CA 0.982 57.437 56.400 0.092 0.000 0.800 26 E CB -0.583 29.178 29.700 0.102 0.000 0.746 26 E HN 0.443 nan 8.360 nan 0.000 0.452 27 L N 0.157 121.465 121.223 0.143 0.000 2.042 27 L HA -0.206 4.129 4.340 -0.009 0.000 0.210 27 L C 2.493 179.476 176.870 0.188 0.000 1.076 27 L CA 1.635 56.586 54.840 0.185 0.000 0.749 27 L CB -0.403 41.736 42.059 0.133 0.000 0.893 27 L HN 0.093 nan 8.230 nan 0.000 0.432 28 K N 0.539 121.009 120.400 0.118 0.000 2.026 28 K HA -0.202 4.113 4.320 -0.009 0.000 0.208 28 K C 2.131 178.839 176.600 0.180 0.000 1.048 28 K CA 1.780 58.132 56.287 0.108 0.000 0.929 28 K CB -0.121 32.401 32.500 0.036 0.000 0.713 28 K HN 0.405 nan 8.250 nan 0.000 0.439 29 K N 0.419 120.901 120.400 0.136 0.000 2.057 29 K HA -0.074 4.241 4.320 -0.009 0.000 0.206 29 K C 1.644 178.333 176.600 0.149 0.000 1.050 29 K CA 1.373 57.734 56.287 0.124 0.000 0.935 29 K CB -0.219 32.328 32.500 0.078 0.000 0.715 29 K HN 0.022 nan 8.250 nan 0.000 0.439 30 N N 0.498 119.297 118.700 0.165 0.000 2.244 30 N HA -0.114 4.620 4.740 -0.009 0.000 0.183 30 N C 1.602 177.266 175.510 0.257 0.000 1.016 30 N CA 0.940 54.083 53.050 0.156 0.000 0.866 30 N CB -0.253 38.337 38.487 0.171 0.000 0.980 30 N HN 0.208 nan 8.380 nan 0.000 0.430 31 F N 2.599 122.650 119.950 0.167 0.000 2.075 31 F HA -0.091 4.431 4.527 -0.009 0.000 0.297 31 F C 2.018 177.924 175.800 0.178 0.000 1.113 31 F CA 1.303 59.418 58.000 0.191 0.000 1.218 31 F CB -0.231 38.853 39.000 0.141 0.000 0.984 31 F HN -0.036 nan 8.300 nan 0.000 0.472 32 N N 0.488 119.407 118.700 0.364 0.000 2.223 32 N HA -0.188 4.546 4.740 -0.009 0.000 0.185 32 N C 2.033 177.613 175.510 0.116 0.000 1.016 32 N CA 1.125 54.307 53.050 0.220 0.000 0.863 32 N CB -0.530 38.077 38.487 0.199 0.000 0.983 32 N HN 0.392 nan 8.380 nan 0.000 0.429 33 R N 0.304 120.877 120.500 0.122 0.000 2.073 33 R HA -0.096 4.239 4.340 -0.009 0.000 0.234 33 R C 1.754 178.127 176.300 0.122 0.000 1.134 33 R CA 1.448 57.643 56.100 0.159 0.000 0.952 33 R CB -0.197 30.134 30.300 0.052 0.000 0.850 33 R HN 0.360 nan 8.270 nan 0.000 0.433 34 H N -0.409 118.697 119.070 0.060 0.000 2.389 34 H HA -0.105 4.445 4.556 -0.009 0.000 0.299 34 H C 1.841 177.096 175.328 -0.122 0.000 1.081 34 H CA 1.384 57.403 56.048 -0.048 0.000 1.345 34 H CB 0.106 29.802 29.762 -0.110 0.000 1.393 34 H HN 0.128 nan 8.280 nan 0.000 0.520 35 L N -0.066 121.127 121.223 -0.051 0.000 2.083 35 L HA -0.183 4.152 4.340 -0.009 0.000 0.209 35 L C 2.149 178.979 176.870 -0.067 0.000 1.083 35 L CA 1.834 56.609 54.840 -0.109 0.000 0.752 35 L CB -0.416 41.578 42.059 -0.109 0.000 0.899 35 L HN 0.295 nan 8.230 nan 0.000 0.433 36 H N -1.690 117.283 119.070 -0.163 0.000 2.276 36 H HA -0.045 4.506 4.556 -0.009 0.000 0.307 36 H C 1.808 176.914 175.328 -0.369 0.000 1.061 36 H CA 2.256 58.111 56.048 -0.322 0.000 1.336 36 H CB -0.291 29.166 29.762 -0.509 0.000 1.396 36 H HN 0.279 nan 8.280 nan 0.000 0.503 37 F N -0.310 119.624 119.950 -0.027 0.000 2.234 37 F HA -0.045 4.477 4.527 -0.009 0.000 0.296 37 F C 2.615 178.337 175.800 -0.131 0.000 1.089 37 F CA 1.433 59.372 58.000 -0.101 0.000 1.343 37 F CB -0.515 38.458 39.000 -0.045 0.000 1.040 37 F HN 0.181 nan 8.300 nan 0.000 0.498 38 T N -0.160 114.421 114.554 0.044 0.000 2.814 38 T HA -0.005 4.339 4.350 -0.009 0.000 0.254 38 T C 1.725 176.327 174.700 -0.162 0.000 1.037 38 T CA 0.804 62.857 62.100 -0.078 0.000 1.143 38 T CB -0.268 68.517 68.868 -0.138 0.000 0.866 38 T HN -0.053 nan 8.240 nan 0.000 0.431 39 L N 1.002 122.126 121.223 -0.166 0.000 2.509 39 L HA 0.259 4.593 4.340 -0.009 0.000 0.222 39 L C 0.692 177.459 176.870 -0.172 0.000 1.123 39 L CA 0.308 55.041 54.840 -0.180 0.000 0.856 39 L CB -0.760 41.200 42.059 -0.166 0.000 0.985 39 L HN 0.041 nan 8.230 nan 0.000 0.456 40 V N 0.164 119.959 119.914 -0.197 0.000 5.949 40 V HA -0.298 3.816 4.120 -0.009 0.000 0.287 40 V C 0.455 176.426 176.094 -0.205 0.000 0.603 40 V CA 0.849 63.003 62.300 -0.242 0.000 0.608 40 V CB -2.053 29.659 31.823 -0.186 0.000 0.259 40 V HN 0.430 nan 8.190 nan 0.000 0.742 41 K N 0.748 121.031 120.400 -0.195 0.000 2.495 41 K HA 0.755 5.070 4.320 -0.009 0.000 0.268 41 K C -0.604 175.948 176.600 -0.080 0.000 1.008 41 K CA -0.418 55.789 56.287 -0.133 0.000 0.882 41 K CB 2.829 35.248 32.500 -0.134 0.000 1.443 41 K HN 0.560 nan 8.250 nan 0.000 0.447 42 D N -1.165 119.213 120.400 -0.037 0.000 2.547 42 D HA 0.322 4.957 4.640 -0.009 0.000 0.231 42 D C 0.568 176.893 176.300 0.040 0.000 1.099 42 D CA -0.775 53.240 54.000 0.024 0.000 0.901 42 D CB 1.186 42.000 40.800 0.023 0.000 1.478 42 D HN 0.091 nan 8.370 nan 0.000 0.471 43 R N 0.785 121.342 120.500 0.095 0.000 2.261 43 R HA -0.077 4.257 4.340 -0.009 0.000 0.236 43 R C 0.630 177.000 176.300 0.115 0.000 1.141 43 R CA 0.631 56.825 56.100 0.157 0.000 1.001 43 R CB -0.775 29.625 30.300 0.166 0.000 0.866 43 R HN 0.555 nan 8.270 nan 0.000 0.468 44 N N 0.178 118.915 118.700 0.062 0.000 2.416 44 N HA -0.064 4.671 4.740 -0.009 0.000 0.177 44 N C 1.486 177.013 175.510 0.028 0.000 1.036 44 N CA 1.198 54.275 53.050 0.045 0.000 0.901 44 N CB 0.462 38.966 38.487 0.028 0.000 0.976 44 N HN 0.227 nan 8.380 nan 0.000 0.444 45 V N -3.207 116.710 119.914 0.005 0.000 3.432 45 V HA 0.523 4.638 4.120 -0.009 0.000 0.298 45 V C 0.736 176.795 176.094 -0.058 0.000 1.464 45 V CA -0.583 61.706 62.300 -0.018 0.000 1.046 45 V CB -0.199 31.607 31.823 -0.028 0.000 0.887 45 V HN 0.017 nan 8.190 nan 0.000 0.441 46 A N 2.185 124.946 122.820 -0.099 0.000 2.477 46 A HA 0.601 4.916 4.320 -0.009 0.000 0.246 46 A C 0.734 178.151 177.584 -0.279 0.000 1.078 46 A CA 0.816 52.682 52.037 -0.285 0.000 0.770 46 A CB -0.038 18.643 19.000 -0.531 0.000 1.011 46 A HN 0.832 nan 8.150 nan 0.000 0.494 47 T N -0.051 114.340 114.554 -0.272 0.000 2.937 47 T HA 0.584 4.929 4.350 -0.009 0.000 0.283 47 T C -2.175 172.479 174.700 -0.076 0.000 1.012 47 T CA -1.737 60.303 62.100 -0.101 0.000 0.997 47 T CB 1.189 70.039 68.868 -0.030 0.000 1.136 47 T HN 0.232 nan 8.240 nan 0.000 0.551 48 P HA -0.058 nan 4.420 nan 0.000 0.218 48 P C 1.605 179.035 177.300 0.216 0.000 1.148 48 P CA 0.887 64.145 63.100 0.262 0.000 0.822 48 P CB 0.056 31.864 31.700 0.180 0.000 0.784 49 R N -0.033 120.539 120.500 0.119 0.000 2.092 49 R HA -0.130 4.204 4.340 -0.009 0.000 0.231 49 R C 1.594 178.074 176.300 0.300 0.000 1.119 49 R CA 1.679 57.888 56.100 0.180 0.000 0.970 49 R CB -0.650 29.685 30.300 0.059 0.000 0.864 49 R HN 0.076 nan 8.270 nan 0.000 0.440 50 D N -0.239 120.214 120.400 0.087 0.000 2.117 50 D HA -0.185 4.450 4.640 -0.009 0.000 0.197 50 D C 1.704 178.018 176.300 0.024 0.000 0.987 50 D CA 1.309 55.307 54.000 -0.005 0.000 0.829 50 D CB -0.316 40.329 40.800 -0.257 0.000 0.961 50 D HN 0.299 nan 8.370 nan 0.000 0.460 51 Y N 0.016 120.423 120.300 0.178 0.000 2.224 51 Y HA -0.200 4.345 4.550 -0.009 0.000 0.289 51 Y C 2.312 178.346 175.900 0.224 0.000 1.146 51 Y CA 0.381 58.623 58.100 0.236 0.000 1.182 51 Y CB -1.080 37.579 38.460 0.332 0.000 0.983 51 Y HN 0.088 nan 8.280 nan 0.000 0.524 52 Y N -0.497 119.955 120.300 0.253 0.000 2.128 52 Y HA -0.283 4.261 4.550 -0.009 0.000 0.284 52 Y C 1.943 177.828 175.900 -0.025 0.000 1.154 52 Y CA 1.300 59.449 58.100 0.081 0.000 1.149 52 Y CB -1.145 37.267 38.460 -0.080 0.000 0.976 52 Y HN 0.049 nan 8.280 nan 0.000 0.505 53 F N 0.232 119.960 119.950 -0.370 0.000 2.171 53 F HA -0.122 4.400 4.527 -0.009 0.000 0.300 53 F C 2.633 178.280 175.800 -0.254 0.000 1.090 53 F CA 1.286 59.025 58.000 -0.435 0.000 1.293 53 F CB -0.808 38.114 39.000 -0.129 0.000 1.013 53 F HN 0.208 nan 8.300 nan 0.000 0.486 54 A N -0.182 122.593 122.820 -0.076 0.000 1.902 54 A HA -0.176 4.139 4.320 -0.009 0.000 0.217 54 A C 2.063 179.539 177.584 -0.180 0.000 1.181 54 A CA 1.541 53.412 52.037 -0.278 0.000 0.623 54 A CB -1.002 17.510 19.000 -0.813 0.000 0.818 54 A HN 0.340 nan 8.150 nan 0.000 0.443 55 L N -0.246 120.991 121.223 0.023 0.000 2.056 55 L HA -0.015 4.319 4.340 -0.009 0.000 0.207 55 L C 2.674 179.540 176.870 -0.005 0.000 1.078 55 L CA 2.128 57.104 54.840 0.226 0.000 0.749 55 L CB -0.898 41.351 42.059 0.317 0.000 0.901 55 L HN 0.342 nan 8.230 nan 0.000 0.433 56 A N -1.180 121.457 122.820 -0.303 0.000 1.883 56 A HA -0.289 4.025 4.320 -0.009 0.000 0.217 56 A C 2.142 179.388 177.584 -0.564 0.000 1.186 56 A CA 2.073 53.809 52.037 -0.503 0.000 0.624 56 A CB -1.106 17.260 19.000 -1.056 0.000 0.822 56 A HN 0.673 nan 8.150 nan 0.000 0.444 57 H N -0.856 117.902 119.070 -0.521 0.000 2.423 57 H HA -0.045 4.506 4.556 -0.009 0.000 0.297 57 H C 2.322 177.376 175.328 -0.458 0.000 1.075 57 H CA 1.900 57.558 56.048 -0.650 0.000 1.342 57 H CB -0.178 28.913 29.762 -1.119 0.000 1.395 57 H HN 0.464 nan 8.280 nan 0.000 0.530 58 T N -0.360 114.141 114.554 -0.089 0.000 2.737 58 T HA -0.124 4.220 4.350 -0.009 0.000 0.265 58 T C 2.257 177.116 174.700 0.265 0.000 1.038 58 T CA 1.343 63.572 62.100 0.215 0.000 1.144 58 T CB -0.369 68.696 68.868 0.328 0.000 0.866 58 T HN 0.097 nan 8.240 nan 0.000 0.434 59 V N 1.608 121.656 119.914 0.224 0.000 2.358 59 V HA -0.123 3.992 4.120 -0.009 0.000 0.246 59 V C 2.601 178.874 176.094 0.298 0.000 1.047 59 V CA 1.624 64.103 62.300 0.298 0.000 1.035 59 V CB -0.644 31.345 31.823 0.277 0.000 0.658 59 V HN 0.378 nan 8.190 nan 0.000 0.452 60 R N 0.315 120.934 120.500 0.198 0.000 2.091 60 R HA -0.229 4.106 4.340 -0.009 0.000 0.238 60 R C 1.971 178.365 176.300 0.156 0.000 1.136 60 R CA 2.174 58.384 56.100 0.183 0.000 0.959 60 R CB -0.461 29.788 30.300 -0.087 0.000 0.856 60 R HN 0.460 nan 8.270 nan 0.000 0.437 61 D N 0.000 120.472 120.400 0.119 0.000 2.158 61 D HA -0.187 4.448 4.640 -0.009 0.000 0.197 61 D C 1.685 177.990 176.300 0.009 0.000 0.995 61 D CA 1.196 55.237 54.000 0.067 0.000 0.846 61 D CB -0.428 40.395 40.800 0.038 0.000 0.941 61 D HN 0.459 nan 8.370 nan 0.000 0.456 62 H N -0.409 118.725 119.070 0.108 0.000 2.545 62 H HA 0.036 4.587 4.556 -0.009 0.000 0.282 62 H C 2.099 177.469 175.328 0.069 0.000 1.020 62 H CA 0.429 56.525 56.048 0.079 0.000 1.243 62 H CB 0.368 30.169 29.762 0.065 0.000 1.377 62 H HN 0.225 nan 8.280 nan 0.000 0.581 63 L N 0.122 121.452 121.223 0.178 0.000 2.221 63 L HA -0.071 4.264 4.340 -0.009 0.000 0.202 63 L C 2.705 179.686 176.870 0.185 0.000 1.074 63 L CA 0.384 55.300 54.840 0.126 0.000 0.795 63 L CB -0.141 41.956 42.059 0.063 0.000 0.960 63 L HN 0.076 nan 8.230 nan 0.000 0.458 64 V N -1.957 118.097 119.914 0.234 0.000 2.380 64 V HA -0.171 3.944 4.120 -0.009 0.000 0.251 64 V C 2.245 178.461 176.094 0.203 0.000 1.063 64 V CA 2.071 64.554 62.300 0.305 0.000 1.055 64 V CB -1.798 30.166 31.823 0.235 0.000 0.657 64 V HN 0.398 nan 8.190 nan 0.000 0.455 65 G N 0.115 108.991 108.800 0.127 0.000 2.433 65 G HA2 -0.230 3.725 3.960 -0.009 0.000 0.216 65 G HA3 -0.230 3.725 3.960 -0.009 0.000 0.216 65 G C 1.776 176.729 174.900 0.088 0.000 1.186 65 G CA 0.931 46.080 45.100 0.080 0.000 0.779 65 G HN 0.516 nan 8.290 nan 0.000 0.543 66 R N -1.474 119.086 120.500 0.101 0.000 2.115 66 R HA -0.048 4.286 4.340 -0.009 0.000 0.230 66 R C 2.233 178.618 176.300 0.143 0.000 1.111 66 R CA 0.923 57.070 56.100 0.078 0.000 0.976 66 R CB -0.295 30.032 30.300 0.045 0.000 0.870 66 R HN 0.489 nan 8.270 nan 0.000 0.445 67 W N 1.459 122.744 121.300 -0.025 0.000 2.355 67 W HA -0.077 4.578 4.660 -0.009 0.000 0.309 67 W C 1.615 178.112 176.519 -0.037 0.000 1.206 67 W CA 0.969 58.297 57.345 -0.028 0.000 1.284 67 W CB -0.565 28.897 29.460 0.003 0.000 1.145 67 W HN -0.038 nan 8.180 nan 0.000 0.502 68 I N 0.499 121.136 120.570 0.113 0.000 2.226 68 I HA -0.323 3.841 4.170 -0.009 0.000 0.245 68 I C 2.634 178.741 176.117 -0.017 0.000 1.100 68 I CA 1.162 62.441 61.300 -0.035 0.000 1.374 68 I CB -0.558 37.425 38.000 -0.028 0.000 1.057 68 I HN -0.152 nan 8.210 nan 0.000 0.413 69 R N 0.427 120.932 120.500 0.008 0.000 2.073 69 R HA -0.100 4.235 4.340 -0.009 0.000 0.234 69 R C 2.302 178.572 176.300 -0.049 0.000 1.134 69 R CA 1.754 57.847 56.100 -0.012 0.000 0.952 69 R CB -1.328 28.960 30.300 -0.019 0.000 0.850 69 R HN 0.337 nan 8.270 nan 0.000 0.433 70 T N 2.115 116.618 114.554 -0.086 0.000 2.635 70 T HA -0.160 4.185 4.350 -0.009 0.000 0.267 70 T C 1.867 176.315 174.700 -0.421 0.000 1.040 70 T CA 1.346 63.286 62.100 -0.266 0.000 1.156 70 T CB -0.121 68.628 68.868 -0.199 0.000 0.863 70 T HN 0.197 nan 8.240 nan 0.000 0.430 71 Q N 0.675 120.366 119.800 -0.181 0.000 2.124 71 Q HA -0.108 4.227 4.340 -0.009 0.000 0.202 71 Q C 2.364 178.378 176.000 0.024 0.000 0.977 71 Q CA 1.377 57.146 55.803 -0.057 0.000 0.850 71 Q CB -0.558 28.174 28.738 -0.010 0.000 0.901 71 Q HN 0.496 nan 8.270 nan 0.000 0.429 72 Q N 0.073 119.882 119.800 0.016 0.000 2.079 72 Q HA -0.178 4.157 4.340 -0.009 0.000 0.200 72 Q C 1.905 177.994 176.000 0.148 0.000 0.974 72 Q CA 1.871 57.732 55.803 0.097 0.000 0.840 72 Q CB -0.403 28.374 28.738 0.065 0.000 0.898 72 Q HN 0.546 nan 8.270 nan 0.000 0.430 73 H N -0.921 118.122 119.070 -0.044 0.000 2.319 73 H HA -0.179 4.372 4.556 -0.009 0.000 0.299 73 H C 1.149 176.535 175.328 0.097 0.000 1.092 73 H CA 2.256 58.285 56.048 -0.032 0.000 1.302 73 H CB -0.314 29.361 29.762 -0.144 0.000 1.373 73 H HN 0.355 nan 8.280 nan 0.000 0.497 74 Y N -1.134 119.196 120.300 0.051 0.000 2.293 74 Y HA -0.173 4.371 4.550 -0.009 0.000 0.291 74 Y C 2.384 178.308 175.900 0.040 0.000 1.137 74 Y CA 1.024 59.123 58.100 -0.002 0.000 1.202 74 Y CB -1.271 37.249 38.460 0.101 0.000 0.990 74 Y HN 0.360 nan 8.280 nan 0.000 0.537 75 Y N 1.256 121.631 120.300 0.127 0.000 2.242 75 Y HA -0.142 4.402 4.550 -0.009 0.000 0.291 75 Y C 1.998 177.905 175.900 0.012 0.000 1.137 75 Y CA 1.440 59.577 58.100 0.062 0.000 1.181 75 Y CB -0.050 38.436 38.460 0.044 0.000 0.989 75 Y HN 0.052 nan 8.280 nan 0.000 0.527 76 E N 0.089 120.241 120.200 -0.081 0.000 2.051 76 E HA -0.114 4.230 4.350 -0.009 0.000 0.189 76 E C 1.859 178.350 176.600 -0.182 0.000 0.979 76 E CA 0.992 57.288 56.400 -0.174 0.000 0.803 76 E CB -0.104 29.566 29.700 -0.050 0.000 0.761 76 E HN 0.382 nan 8.360 nan 0.000 0.451 77 K N 0.810 121.096 120.400 -0.190 0.000 2.305 77 K HA -0.043 4.272 4.320 -0.009 0.000 0.199 77 K C 0.143 176.675 176.600 -0.114 0.000 1.047 77 K CA 0.354 56.538 56.287 -0.171 0.000 0.976 77 K CB -0.327 32.011 32.500 -0.270 0.000 0.765 77 K HN 0.051 nan 8.250 nan 0.000 0.474 78 D N 1.211 121.557 120.400 -0.089 0.000 2.735 78 D HA -0.112 4.523 4.640 -0.009 0.000 0.235 78 D C -2.230 174.042 176.300 -0.047 0.000 1.175 78 D CA 0.123 54.089 54.000 -0.056 0.000 0.683 78 D CB -0.189 40.554 40.800 -0.094 0.000 1.008 78 D HN 0.198 nan 8.370 nan 0.000 0.416 79 P HA 0.112 nan 4.420 nan 0.000 0.277 79 P C -0.208 177.046 177.300 -0.076 0.000 1.271 79 P CA -0.658 62.402 63.100 -0.066 0.000 0.795 79 P CB 0.644 32.292 31.700 -0.088 0.000 1.101 80 K N 1.091 121.449 120.400 -0.070 0.000 2.412 80 K HA 0.053 4.367 4.320 -0.009 0.000 0.281 80 K C 0.191 176.701 176.600 -0.150 0.000 1.027 80 K CA -0.186 56.054 56.287 -0.079 0.000 0.989 80 K CB 0.314 32.785 32.500 -0.048 0.000 0.935 80 K HN 0.294 nan 8.250 nan 0.000 0.475 81 R N 4.438 124.834 120.500 -0.173 0.000 2.349 81 R HA 0.342 4.676 4.340 -0.009 0.000 0.299 81 R C -0.147 175.871 176.300 -0.471 0.000 1.027 81 R CA -0.761 55.155 56.100 -0.307 0.000 0.958 81 R CB 0.713 30.841 30.300 -0.287 0.000 1.047 81 R HN 0.512 nan 8.270 nan 0.000 0.468 82 I N 3.864 124.102 120.570 -0.553 0.000 2.339 82 I HA 0.246 4.411 4.170 -0.009 0.000 0.290 82 I C -0.553 175.245 176.117 -0.532 0.000 0.994 82 I CA -0.965 59.961 61.300 -0.623 0.000 1.191 82 I CB 0.709 38.231 38.000 -0.796 0.000 1.343 82 I HN 0.435 nan 8.210 nan 0.000 0.458 83 Y N 6.011 126.279 120.300 -0.054 0.000 2.356 83 Y HA 0.275 4.820 4.550 -0.009 0.000 0.334 83 Y C -0.259 175.754 175.900 0.188 0.000 0.958 83 Y CA -0.749 57.447 58.100 0.160 0.000 1.196 83 Y CB 1.043 39.566 38.460 0.105 0.000 1.137 83 Y HN 0.384 nan 8.280 nan 0.000 0.485 84 Y N 4.570 125.053 120.300 0.306 0.000 2.518 84 Y HA 0.464 5.008 4.550 -0.009 0.000 0.344 84 Y C -1.184 174.983 175.900 0.445 0.000 0.982 84 Y CA -0.972 57.317 58.100 0.315 0.000 1.234 84 Y CB 0.238 38.885 38.460 0.311 0.000 1.114 84 Y HN 0.501 nan 8.280 nan 0.000 0.515 85 L N 4.880 126.170 121.223 0.111 0.000 2.276 85 L HA 0.487 4.822 4.340 -0.009 0.000 0.286 85 L C -0.140 176.748 176.870 0.030 0.000 1.061 85 L CA 0.146 55.096 54.840 0.183 0.000 0.807 85 L CB 1.303 43.437 42.059 0.125 0.000 1.177 85 L HN 0.577 nan 8.230 nan 0.000 0.429 86 S N 2.403 118.204 115.700 0.169 0.000 2.537 86 S HA 0.496 4.961 4.470 -0.009 0.000 0.270 86 S C 0.129 174.823 174.600 0.157 0.000 1.142 86 S CA -0.516 57.685 58.200 0.001 0.000 0.870 86 S CB 0.983 63.953 63.200 -0.382 0.000 1.112 86 S HN 0.445 nan 8.310 nan 0.000 0.466 87 L N 2.739 124.090 121.223 0.214 0.000 2.591 87 L HA 0.461 4.795 4.340 -0.009 0.000 0.228 87 L C 0.292 177.371 176.870 0.348 0.000 1.133 87 L CA 0.963 55.995 54.840 0.321 0.000 0.880 87 L CB -0.115 42.150 42.059 0.343 0.000 1.033 87 L HN 0.646 nan 8.230 nan 0.000 0.450 88 E N -1.228 119.055 120.200 0.138 0.000 2.292 88 E HA 0.411 4.755 4.350 -0.009 0.000 0.272 88 E C -1.389 175.109 176.600 -0.171 0.000 0.881 88 E CA -0.429 56.035 56.400 0.107 0.000 0.754 88 E CB 1.901 31.648 29.700 0.079 0.000 1.201 88 E HN -0.165 nan 8.360 nan 0.000 0.425 89 F N 2.193 122.250 119.950 0.178 0.000 2.902 89 F HA 0.168 4.689 4.527 -0.009 0.000 0.368 89 F C -0.922 174.959 175.800 0.136 0.000 1.202 89 F CA -0.756 57.339 58.000 0.157 0.000 1.109 89 F CB 0.977 40.063 39.000 0.142 0.000 1.418 89 F HN 0.486 nan 8.300 nan 0.000 0.527 90 Y N 5.266 125.646 120.300 0.134 0.000 2.632 90 Y HA 0.215 4.759 4.550 -0.009 0.000 0.336 90 Y C 1.007 176.935 175.900 0.048 0.000 1.237 90 Y CA -1.027 57.103 58.100 0.050 0.000 1.595 90 Y CB 0.338 38.808 38.460 0.016 0.000 1.508 90 Y HN 0.539 nan 8.280 nan 0.000 0.480 91 M N 1.611 121.381 119.600 0.284 0.000 2.288 91 M HA 0.100 4.574 4.480 -0.009 0.000 0.266 91 M C 1.586 177.902 176.300 0.025 0.000 1.072 91 M CA 1.128 56.497 55.300 0.114 0.000 1.132 91 M CB -1.271 31.363 32.600 0.057 0.000 1.386 91 M HN 0.699 nan 8.290 nan 0.000 0.432 92 G N 1.150 109.998 108.800 0.081 0.000 2.562 92 G HA2 -0.270 3.685 3.960 -0.009 0.000 0.250 92 G HA3 -0.270 3.685 3.960 -0.009 0.000 0.250 92 G C -0.272 174.612 174.900 -0.026 0.000 1.269 92 G CA -0.282 44.814 45.100 -0.005 0.000 0.919 92 G HN 0.445 nan 8.290 nan 0.000 0.574 93 R N -0.618 119.838 120.500 -0.073 0.000 2.582 93 R HA 0.558 4.892 4.340 -0.009 0.000 0.271 93 R C 1.069 177.262 176.300 -0.178 0.000 1.078 93 R CA 0.336 56.395 56.100 -0.068 0.000 1.127 93 R CB 0.647 30.911 30.300 -0.061 0.000 1.038 93 R HN 0.528 nan 8.270 nan 0.000 0.500 94 T N 1.097 115.489 114.554 -0.270 0.000 2.978 94 T HA -0.010 4.335 4.350 -0.009 0.000 0.248 94 T C 1.462 175.771 174.700 -0.651 0.000 1.018 94 T CA -0.172 61.555 62.100 -0.623 0.000 1.026 94 T CB 0.117 68.220 68.868 -1.275 0.000 1.032 94 T HN 0.306 nan 8.240 nan 0.000 0.485 95 L N 2.032 123.092 121.223 -0.272 0.000 1.956 95 L HA -0.093 4.242 4.340 -0.009 0.000 0.216 95 L C 2.470 179.300 176.870 -0.067 0.000 1.073 95 L CA 2.036 56.871 54.840 -0.007 0.000 0.762 95 L CB -0.751 41.512 42.059 0.339 0.000 0.889 95 L HN 0.188 nan 8.230 nan 0.000 0.433 96 Q N -0.824 118.943 119.800 -0.055 0.000 2.084 96 Q HA -0.257 4.077 4.340 -0.009 0.000 0.202 96 Q C 2.235 178.165 176.000 -0.117 0.000 0.978 96 Q CA 1.882 57.646 55.803 -0.066 0.000 0.844 96 Q CB -0.304 28.394 28.738 -0.067 0.000 0.898 96 Q HN 0.701 nan 8.270 nan 0.000 0.426 97 N N -1.006 117.586 118.700 -0.181 0.000 2.104 97 N HA -0.148 4.586 4.740 -0.009 0.000 0.190 97 N C 1.362 176.767 175.510 -0.176 0.000 1.024 97 N CA 1.763 54.697 53.050 -0.192 0.000 0.853 97 N CB 0.074 38.414 38.487 -0.244 0.000 1.008 97 N HN 0.208 nan 8.380 nan 0.000 0.424 98 T N 1.278 115.692 114.554 -0.233 0.000 2.777 98 T HA -0.060 4.285 4.350 -0.009 0.000 0.266 98 T C 2.061 176.698 174.700 -0.106 0.000 1.040 98 T CA 1.092 63.072 62.100 -0.200 0.000 1.141 98 T CB -0.078 68.626 68.868 -0.273 0.000 0.868 98 T HN 0.268 nan 8.240 nan 0.000 0.444 99 M N 0.572 120.126 119.600 -0.076 0.000 2.117 99 M HA -0.089 4.386 4.480 -0.009 0.000 0.262 99 M C 2.467 178.733 176.300 -0.057 0.000 1.065 99 M CA 1.226 56.495 55.300 -0.050 0.000 1.114 99 M CB -0.636 31.951 32.600 -0.023 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 0.932 120.818 119.914 -0.047 0.000 2.255 100 V HA -0.277 3.837 4.120 -0.009 0.000 0.247 100 V C 1.755 177.852 176.094 0.006 0.000 1.051 100 V CA 2.018 64.316 62.300 -0.004 0.000 1.018 100 V CB -0.888 30.937 31.823 0.004 0.000 0.641 100 V HN 0.471 nan 8.190 nan 0.000 0.445 101 N N -0.357 118.335 118.700 -0.014 0.000 2.453 101 N HA -0.051 4.683 4.740 -0.009 0.000 0.183 101 N C 1.029 176.436 175.510 -0.172 0.000 1.041 101 N CA 0.733 53.750 53.050 -0.055 0.000 0.900 101 N CB -0.110 38.360 38.487 -0.029 0.000 0.961 101 N HN 0.297 nan 8.380 nan 0.000 0.443 102 L N -0.396 120.746 121.223 -0.134 0.000 2.693 102 L HA 0.413 4.747 4.340 -0.009 0.000 0.235 102 L C 0.582 177.363 176.870 -0.148 0.000 1.127 102 L CA -0.219 54.540 54.840 -0.135 0.000 0.914 102 L CB -0.581 41.422 42.059 -0.093 0.000 1.193 102 L HN 0.082 nan 8.230 nan 0.000 0.502 103 A N -0.436 122.294 122.820 -0.151 0.000 2.822 103 A HA -0.229 4.085 4.320 -0.009 0.000 0.287 103 A C 1.209 178.732 177.584 -0.102 0.000 1.479 103 A CA 1.237 53.199 52.037 -0.126 0.000 0.779 103 A CB -2.036 16.876 19.000 -0.146 0.000 1.022 103 A HN 0.336 nan 8.150 nan 0.000 0.532 104 L N -1.623 119.541 121.223 -0.098 0.000 2.664 104 L HA 0.119 4.453 4.340 -0.009 0.000 0.233 104 L C 1.992 178.826 176.870 -0.059 0.000 1.113 104 L CA 0.722 55.501 54.840 -0.101 0.000 0.896 104 L CB -0.036 41.939 42.059 -0.139 0.000 1.163 104 L HN 0.654 nan 8.230 nan 0.000 0.497 105 E N 0.944 121.118 120.200 -0.042 0.000 2.049 105 E HA -0.264 4.081 4.350 -0.009 0.000 0.198 105 E C 1.708 178.296 176.600 -0.020 0.000 1.007 105 E CA 1.690 58.077 56.400 -0.023 0.000 0.809 105 E CB 0.202 29.890 29.700 -0.019 0.000 0.749 105 E HN 0.416 nan 8.360 nan 0.000 0.450 106 N N -0.134 118.551 118.700 -0.025 0.000 2.188 106 N HA -0.120 4.614 4.740 -0.009 0.000 0.184 106 N C 1.580 177.077 175.510 -0.021 0.000 1.018 106 N CA 1.170 54.205 53.050 -0.024 0.000 0.858 106 N CB -0.356 38.115 38.487 -0.026 0.000 0.989 106 N HN 0.211 nan 8.380 nan 0.000 0.426 107 A N 0.538 123.342 122.820 -0.026 0.000 1.877 107 A HA -0.147 4.168 4.320 -0.009 0.000 0.216 107 A C 2.658 180.237 177.584 -0.008 0.000 1.186 107 A CA 1.326 53.352 52.037 -0.019 0.000 0.620 107 A CB -0.995 17.985 19.000 -0.034 0.000 0.822 107 A HN 0.433 nan 8.150 nan 0.000 0.443 108 C N -0.804 118.491 119.300 -0.008 0.000 2.440 108 C HA -0.063 4.391 4.460 -0.009 0.000 0.278 108 C C 2.471 177.465 174.990 0.006 0.000 1.295 108 C CA 1.017 60.041 59.018 0.009 0.000 1.738 108 C CB -1.062 26.695 27.740 0.028 0.000 1.987 108 C HN 0.668 nan 8.230 nan 0.000 0.492 109 D N 0.705 121.109 120.400 0.005 0.000 2.097 109 D HA -0.139 4.495 4.640 -0.009 0.000 0.195 109 D C 2.131 178.450 176.300 0.031 0.000 0.989 109 D CA 1.515 55.521 54.000 0.011 0.000 0.827 109 D CB -0.233 40.562 40.800 -0.008 0.000 0.966 109 D HN 0.478 nan 8.370 nan 0.000 0.456 110 E N 0.531 120.743 120.200 0.020 0.000 2.031 110 E HA -0.082 4.262 4.350 -0.009 0.000 0.193 110 E C 1.913 178.557 176.600 0.075 0.000 0.994 110 E CA 1.743 58.178 56.400 0.057 0.000 0.800 110 E CB -0.587 29.128 29.700 0.024 0.000 0.752 110 E HN 0.196 nan 8.360 nan 0.000 0.447 111 A N -0.095 122.733 122.820 0.013 0.000 1.883 111 A HA -0.235 4.080 4.320 -0.009 0.000 0.217 111 A C 2.509 180.019 177.584 -0.123 0.000 1.186 111 A CA 3.026 55.041 52.037 -0.037 0.000 0.624 111 A CB -1.534 17.447 19.000 -0.031 0.000 0.822 111 A HN 0.537 nan 8.150 nan 0.000 0.444 112 T N -3.759 110.716 114.554 -0.132 0.000 2.867 112 T HA -0.201 4.143 4.350 -0.009 0.000 0.268 112 T C 1.836 176.452 174.700 -0.140 0.000 1.057 112 T CA 1.494 63.455 62.100 -0.232 0.000 1.136 112 T CB -0.564 68.210 68.868 -0.157 0.000 0.874 112 T HN 0.468 nan 8.240 nan 0.000 0.466 113 Y N 2.176 122.397 120.300 -0.132 0.000 2.145 113 Y HA -0.079 4.466 4.550 -0.008 0.000 0.286 113 Y C 2.599 178.439 175.900 -0.101 0.000 1.145 113 Y CA 1.513 59.555 58.100 -0.097 0.000 1.148 113 Y CB -0.578 37.843 38.460 -0.064 0.000 0.981 113 Y HN 0.235 nan 8.280 nan 0.000 0.507 114 Q N -0.915 118.787 119.800 -0.163 0.000 2.364 114 Q HA -0.113 4.221 4.340 -0.009 0.000 0.207 114 Q C 1.332 177.188 176.000 -0.239 0.000 0.970 114 Q CA 0.788 56.460 55.803 -0.219 0.000 0.888 114 Q CB -0.046 28.652 28.738 -0.067 0.000 0.951 114 Q HN 0.353 nan 8.270 nan 0.000 0.469 115 L N -1.054 120.014 121.223 -0.259 0.000 2.592 115 L HA 0.178 4.513 4.340 -0.009 0.000 0.227 115 L C 1.048 177.753 176.870 -0.276 0.000 1.127 115 L CA 1.006 55.687 54.840 -0.266 0.000 0.884 115 L CB -0.122 41.699 42.059 -0.397 0.000 1.065 115 L HN 0.267 nan 8.230 nan 0.000 0.457 116 G N -0.017 108.597 108.800 -0.310 0.000 2.182 116 G HA2 -0.250 3.705 3.960 -0.009 0.000 0.248 116 G HA3 -0.250 3.705 3.960 -0.009 0.000 0.248 116 G C 0.044 174.806 174.900 -0.230 0.000 1.042 116 G CA 0.344 45.277 45.100 -0.278 0.000 0.775 116 G HN 0.282 nan 8.290 nan 0.000 0.501 117 L N -0.369 120.718 121.223 -0.228 0.000 2.354 117 L HA 0.595 4.930 4.340 -0.009 0.000 0.269 117 L C -0.609 176.228 176.870 -0.056 0.000 1.005 117 L CA -1.200 53.536 54.840 -0.174 0.000 0.819 117 L CB 1.939 43.831 42.059 -0.278 0.000 1.311 117 L HN 0.086 nan 8.230 nan 0.000 0.423 118 D N 2.156 122.553 120.400 -0.005 0.000 2.359 118 D HA 0.171 4.806 4.640 -0.009 0.000 0.230 118 D C 0.657 176.987 176.300 0.050 0.000 1.118 118 D CA -0.245 53.781 54.000 0.044 0.000 0.844 118 D CB 1.494 42.325 40.800 0.052 0.000 1.059 118 D HN 0.521 nan 8.370 nan 0.000 0.493 119 M N 3.176 122.807 119.600 0.052 0.000 2.149 119 M HA -0.157 4.318 4.480 -0.009 0.000 0.261 119 M C 1.357 177.703 176.300 0.076 0.000 1.064 119 M CA 1.556 56.896 55.300 0.067 0.000 1.102 119 M CB 0.181 32.814 32.600 0.054 0.000 1.369 119 M HN 0.425 nan 8.290 nan 0.000 0.408 120 E N -0.166 120.071 120.200 0.061 0.000 2.110 120 E HA -0.264 4.081 4.350 -0.009 0.000 0.193 120 E C 1.856 178.495 176.600 0.065 0.000 0.988 120 E CA 1.481 57.915 56.400 0.058 0.000 0.804 120 E CB -0.134 29.597 29.700 0.051 0.000 0.745 120 E HN 0.641 nan 8.360 nan 0.000 0.458 121 E N 0.340 120.582 120.200 0.069 0.000 2.072 121 E HA -0.198 4.146 4.350 -0.009 0.000 0.191 121 E C 1.900 178.548 176.600 0.080 0.000 0.985 121 E CA 0.620 57.062 56.400 0.070 0.000 0.801 121 E CB 0.160 29.902 29.700 0.070 0.000 0.750 121 E HN 0.083 nan 8.360 nan 0.000 0.452 122 L N 1.399 122.691 121.223 0.115 0.000 2.141 122 L HA -0.128 4.206 4.340 -0.009 0.000 0.209 122 L C 2.041 178.986 176.870 0.126 0.000 1.094 122 L CA 1.575 56.519 54.840 0.173 0.000 0.763 122 L CB -0.511 41.701 42.059 0.256 0.000 0.908 122 L HN 0.138 nan 8.230 nan 0.000 0.437 123 E N -0.640 119.620 120.200 0.100 0.000 2.153 123 E HA -0.187 4.158 4.350 -0.009 0.000 0.194 123 E C 1.770 178.344 176.600 -0.043 0.000 0.988 123 E CA 0.787 57.219 56.400 0.054 0.000 0.811 123 E CB -0.043 29.691 29.700 0.056 0.000 0.746 123 E HN 0.425 nan 8.360 nan 0.000 0.466 124 E N 0.401 120.590 120.200 -0.018 0.000 2.409 124 E HA -0.107 4.238 4.350 -0.009 0.000 0.198 124 E C 1.857 178.403 176.600 -0.090 0.000 1.024 124 E CA 0.544 56.932 56.400 -0.020 0.000 0.861 124 E CB 0.043 29.765 29.700 0.037 0.000 0.788 124 E HN 0.428 nan 8.360 nan 0.000 0.521 125 I N 0.727 121.181 120.570 -0.192 0.000 2.716 125 I HA -0.093 4.071 4.170 -0.009 0.000 0.259 125 I C 1.377 177.189 176.117 -0.509 0.000 1.172 125 I CA 0.152 61.270 61.300 -0.304 0.000 1.478 125 I CB 0.070 37.895 38.000 -0.292 0.000 1.104 125 I HN -0.013 nan 8.210 nan 0.000 0.439 126 E N 2.403 122.175 120.200 -0.712 0.000 2.414 126 E HA -0.083 4.262 4.350 -0.009 0.000 0.263 126 E C -0.026 176.477 176.600 -0.161 0.000 1.000 126 E CA -0.134 55.905 56.400 -0.602 0.000 0.914 126 E CB 0.638 30.116 29.700 -0.370 0.000 0.948 126 E HN 0.053 nan 8.360 nan 0.000 0.444 127 E N 2.862 123.059 120.200 -0.005 0.000 2.331 127 E HA 0.086 4.430 4.350 -0.009 0.000 0.272 127 E C -1.176 175.533 176.600 0.181 0.000 1.036 127 E CA -0.329 56.155 56.400 0.141 0.000 0.864 127 E CB 0.813 30.677 29.700 0.274 0.000 1.035 127 E HN 0.349 nan 8.360 nan 0.000 0.408 128 D N 1.586 122.077 120.400 0.150 0.000 2.382 128 D HA 0.274 4.909 4.640 -0.009 0.000 0.245 128 D C -0.858 175.510 176.300 0.114 0.000 1.120 128 D CA 0.121 54.193 54.000 0.120 0.000 0.890 128 D CB 1.001 41.865 40.800 0.107 0.000 1.201 128 D HN 0.431 nan 8.370 nan 0.000 0.433 129 A N 2.255 125.106 122.820 0.051 0.000 2.527 129 A HA 0.494 4.809 4.320 -0.009 0.000 0.313 129 A C 0.896 178.338 177.584 -0.236 0.000 1.410 129 A CA -0.419 51.473 52.037 -0.242 0.000 1.060 129 A CB -0.127 18.809 19.000 -0.107 0.000 1.137 129 A HN 0.495 nan 8.150 nan 0.000 0.542 130 G N 2.247 110.802 108.800 -0.409 0.000 3.939 130 G HA2 0.434 4.389 3.960 -0.009 0.000 0.268 130 G HA3 0.434 4.389 3.960 -0.009 0.000 0.268 130 G C 0.239 174.775 174.900 -0.607 0.000 1.172 130 G CA -0.305 44.510 45.100 -0.475 0.000 1.614 130 G HN 0.686 nan 8.290 nan 0.000 0.639 131 L N 1.493 122.458 121.223 -0.429 0.000 2.939 131 L HA 0.392 4.726 4.340 -0.009 0.000 0.239 131 L C 0.996 177.789 176.870 -0.129 0.000 1.325 131 L CA -0.213 54.528 54.840 -0.166 0.000 1.170 131 L CB -0.321 41.781 42.059 0.072 0.000 1.538 131 L HN 0.341 nan 8.230 nan 0.000 0.452 132 G N -1.225 107.293 108.800 -0.471 0.000 2.660 132 G HA2 0.190 4.145 3.960 -0.009 0.000 0.290 132 G HA3 0.190 4.145 3.960 -0.009 0.000 0.290 132 G C -0.145 174.490 174.900 -0.441 0.000 1.432 132 G CA -0.466 44.435 45.100 -0.332 0.000 0.807 132 G HN -0.061 nan 8.290 nan 0.000 0.485 133 N N -0.750 117.880 118.700 -0.118 0.000 2.387 133 N HA 0.199 4.933 4.740 -0.009 0.000 0.176 133 N C 1.178 176.764 175.510 0.127 0.000 1.022 133 N CA 1.319 54.352 53.050 -0.029 0.000 0.883 133 N CB 1.214 39.739 38.487 0.063 0.000 1.019 133 N HN 0.843 nan 8.380 nan 0.000 0.435 134 G N -0.581 108.351 108.800 0.220 0.000 2.649 134 G HA2 0.133 4.087 3.960 -0.009 0.000 0.078 134 G HA3 0.133 4.087 3.960 -0.009 0.000 0.078 134 G C 0.757 175.759 174.900 0.171 0.000 1.110 134 G CA 0.209 45.459 45.100 0.250 0.000 1.269 134 G HN 0.150 nan 8.290 nan 0.000 0.581 135 G N 0.368 109.226 108.800 0.098 0.000 2.476 135 G HA2 -0.045 3.909 3.960 -0.009 0.000 0.218 135 G HA3 -0.045 3.909 3.960 -0.009 0.000 0.218 135 G C 1.874 176.767 174.900 -0.012 0.000 1.164 135 G CA 1.938 47.057 45.100 0.030 0.000 0.768 135 G HN 0.836 nan 8.290 nan 0.000 0.560 136 L N 1.415 122.625 121.223 -0.022 0.000 2.017 136 L HA 0.157 4.492 4.340 -0.009 0.000 0.208 136 L C 2.815 179.630 176.870 -0.092 0.000 1.073 136 L CA 2.540 57.297 54.840 -0.138 0.000 0.745 136 L CB -1.007 40.963 42.059 -0.148 0.000 0.894 136 L HN 0.160 nan 8.230 nan 0.000 0.432 137 G N -1.108 107.700 108.800 0.014 0.000 2.408 137 G HA2 -0.260 3.694 3.960 -0.009 0.000 0.217 137 G HA3 -0.260 3.694 3.960 -0.009 0.000 0.217 137 G C 1.753 176.719 174.900 0.109 0.000 1.150 137 G CA 0.503 45.636 45.100 0.055 0.000 0.776 137 G HN 0.239 nan 8.290 nan 0.000 0.542 138 R N 0.182 120.757 120.500 0.125 0.000 2.115 138 R HA 0.095 4.429 4.340 -0.009 0.000 0.230 138 R C 2.422 178.718 176.300 -0.006 0.000 1.111 138 R CA 0.744 56.894 56.100 0.082 0.000 0.976 138 R CB -0.991 29.316 30.300 0.012 0.000 0.870 138 R HN 0.397 nan 8.270 nan 0.000 0.445 139 L N 0.568 121.718 121.223 -0.121 0.000 2.046 139 L HA -0.039 4.296 4.340 -0.009 0.000 0.208 139 L C 2.162 178.739 176.870 -0.489 0.000 1.077 139 L CA 2.160 56.787 54.840 -0.354 0.000 0.747 139 L CB -0.743 41.066 42.059 -0.417 0.000 0.896 139 L HN 0.182 nan 8.230 nan 0.000 0.432 140 A N -0.561 122.116 122.820 -0.239 0.000 1.933 140 A HA -0.134 4.181 4.320 -0.009 0.000 0.218 140 A C 2.444 180.096 177.584 0.113 0.000 1.175 140 A CA 1.806 53.791 52.037 -0.088 0.000 0.628 140 A CB -1.131 17.782 19.000 -0.147 0.000 0.814 140 A HN 0.571 nan 8.150 nan 0.000 0.444 141 A N -0.981 121.933 122.820 0.158 0.000 1.877 141 A HA -0.172 4.143 4.320 -0.009 0.000 0.216 141 A C 2.322 179.988 177.584 0.138 0.000 1.186 141 A CA 1.673 53.832 52.037 0.203 0.000 0.620 141 A CB -1.308 17.799 19.000 0.178 0.000 0.822 141 A HN 0.595 nan 8.150 nan 0.000 0.443 142 C N -1.451 117.921 119.300 0.120 0.000 2.429 142 C HA -0.074 4.381 4.460 -0.009 0.000 0.277 142 C C 2.440 177.591 174.990 0.269 0.000 1.262 142 C CA 0.642 59.768 59.018 0.180 0.000 1.733 142 C CB -1.629 26.230 27.740 0.198 0.000 2.010 142 C HN 0.604 nan 8.230 nan 0.000 0.483 143 F N 0.552 120.494 119.950 -0.014 0.000 2.126 143 F HA -0.088 4.434 4.527 -0.009 0.000 0.299 143 F C 2.115 177.860 175.800 -0.091 0.000 1.096 143 F CA 1.103 59.041 58.000 -0.104 0.000 1.255 143 F CB -1.407 37.398 39.000 -0.326 0.000 0.997 143 F HN 0.106 nan 8.300 nan 0.000 0.479 144 L N 0.265 121.572 121.223 0.139 0.000 2.046 144 L HA -0.232 4.102 4.340 -0.009 0.000 0.208 144 L C 2.159 179.047 176.870 0.030 0.000 1.077 144 L CA 1.951 56.827 54.840 0.059 0.000 0.747 144 L CB -1.328 40.772 42.059 0.068 0.000 0.896 144 L HN 0.111 nan 8.230 nan 0.000 0.432 145 D N -1.538 118.890 120.400 0.048 0.000 2.097 145 D HA -0.171 4.463 4.640 -0.009 0.000 0.195 145 D C 2.170 178.492 176.300 0.036 0.000 0.989 145 D CA 1.461 55.475 54.000 0.023 0.000 0.827 145 D CB 0.178 40.991 40.800 0.023 0.000 0.966 145 D HN 0.185 nan 8.370 nan 0.000 0.456 146 S N -0.744 114.994 115.700 0.064 0.000 2.383 146 S HA -0.092 4.372 4.470 -0.009 0.000 0.227 146 S C 1.983 176.600 174.600 0.028 0.000 1.026 146 S CA 0.816 59.045 58.200 0.049 0.000 0.981 146 S CB -0.206 63.029 63.200 0.059 0.000 0.818 146 S HN 0.346 nan 8.310 nan 0.000 0.472 147 M N 0.966 120.575 119.600 0.016 0.000 2.159 147 M HA -0.090 4.385 4.480 -0.009 0.000 0.263 147 M C 2.442 178.746 176.300 0.007 0.000 1.063 147 M CA 1.416 56.721 55.300 0.009 0.000 1.110 147 M CB -0.509 32.076 32.600 -0.025 0.000 1.374 147 M HN 0.392 nan 8.290 nan 0.000 0.411 148 A N -0.354 122.467 122.820 0.002 0.000 1.897 148 A HA -0.100 4.215 4.320 -0.009 0.000 0.215 148 A C 2.167 179.768 177.584 0.028 0.000 1.181 148 A CA 1.865 53.907 52.037 0.007 0.000 0.620 148 A CB -0.980 18.009 19.000 -0.020 0.000 0.821 148 A HN 0.401 nan 8.150 nan 0.000 0.443 149 T N 0.250 114.826 114.554 0.036 0.000 2.915 149 T HA 0.024 4.368 4.350 -0.009 0.000 0.269 149 T C 1.285 176.017 174.700 0.054 0.000 1.071 149 T CA 1.004 63.139 62.100 0.058 0.000 1.132 149 T CB -0.255 68.655 68.868 0.071 0.000 0.878 149 T HN 0.335 nan 8.240 nan 0.000 0.479 150 L N 0.450 121.701 121.223 0.046 0.000 2.653 150 L HA 0.303 4.638 4.340 -0.009 0.000 0.231 150 L C 1.603 178.507 176.870 0.056 0.000 1.153 150 L CA -0.093 54.776 54.840 0.048 0.000 0.933 150 L CB -0.373 41.713 42.059 0.046 0.000 1.175 150 L HN 0.380 nan 8.230 nan 0.000 0.473 151 G N 1.164 110.001 108.800 0.062 0.000 2.249 151 G HA2 -0.287 3.668 3.960 -0.009 0.000 0.273 151 G HA3 -0.287 3.668 3.960 -0.009 0.000 0.273 151 G C 0.114 175.066 174.900 0.086 0.000 1.036 151 G CA 0.083 45.238 45.100 0.091 0.000 0.824 151 G HN 0.292 nan 8.290 nan 0.000 0.504 152 L N -0.235 121.008 121.223 0.033 0.000 2.350 152 L HA 0.614 4.949 4.340 -0.009 0.000 0.275 152 L C 1.203 177.959 176.870 -0.189 0.000 1.099 152 L CA -0.375 54.437 54.840 -0.048 0.000 0.808 152 L CB 1.591 43.634 42.059 -0.027 0.000 1.149 152 L HN 0.248 nan 8.230 nan 0.000 0.442 153 A N 2.923 125.490 122.820 -0.421 0.000 2.990 153 A HA 0.561 4.876 4.320 -0.009 0.000 0.282 153 A C 0.312 177.535 177.584 -0.602 0.000 1.688 153 A CA -0.185 51.314 52.037 -0.896 0.000 1.391 153 A CB -0.658 17.686 19.000 -1.093 0.000 1.112 153 A HN 0.699 nan 8.150 nan 0.000 0.588 154 A N 1.371 123.888 122.820 -0.506 0.000 2.325 154 A HA 0.797 5.112 4.320 -0.009 0.000 0.333 154 A C -1.007 176.282 177.584 -0.491 0.000 1.155 154 A CA -0.446 51.348 52.037 -0.404 0.000 0.814 154 A CB 0.713 19.560 19.000 -0.255 0.000 1.206 154 A HN 0.620 nan 8.150 nan 0.000 0.482 155 Y N 0.201 120.437 120.300 -0.107 0.000 2.373 155 Y HA 0.531 5.076 4.550 -0.009 0.000 0.336 155 Y C 0.802 176.780 175.900 0.131 0.000 0.979 155 Y CA -0.507 57.597 58.100 0.007 0.000 1.080 155 Y CB 2.399 40.944 38.460 0.142 0.000 1.190 155 Y HN 0.837 nan 8.280 nan 0.000 0.446 156 G N 2.258 111.132 108.800 0.123 0.000 2.325 156 G HA2 0.456 4.410 3.960 -0.009 0.000 0.298 156 G HA3 0.456 4.410 3.960 -0.009 0.000 0.298 156 G C -1.757 173.154 174.900 0.019 0.000 1.134 156 G CA -0.265 44.946 45.100 0.184 0.000 0.876 156 G HN 0.513 nan 8.290 nan 0.000 0.452 157 Y N 1.112 121.644 120.300 0.387 0.000 2.350 157 Y HA 0.630 5.175 4.550 -0.009 0.000 0.338 157 Y C 0.755 176.955 175.900 0.499 0.000 0.961 157 Y CA 0.180 58.475 58.100 0.325 0.000 1.100 157 Y CB 2.631 41.306 38.460 0.358 0.000 1.179 157 Y HN 0.865 nan 8.280 nan 0.000 0.454 158 G N 2.370 111.486 108.800 0.526 0.000 2.753 158 G HA2 0.607 4.561 3.960 -0.009 0.000 0.303 158 G HA3 0.607 4.561 3.960 -0.009 0.000 0.303 158 G C -1.724 173.405 174.900 0.381 0.000 1.242 158 G CA -0.819 44.612 45.100 0.552 0.000 0.810 158 G HN 0.420 nan 8.290 nan 0.000 0.515 159 I N 0.526 121.213 120.570 0.195 0.000 2.474 159 I HA 0.439 4.604 4.170 -0.009 0.000 0.294 159 I C 0.197 176.205 176.117 -0.182 0.000 1.005 159 I CA -0.732 60.570 61.300 0.003 0.000 1.113 159 I CB 2.272 40.098 38.000 -0.291 0.000 1.289 159 I HN 0.367 nan 8.210 nan 0.000 0.436 160 R N 6.092 126.591 120.500 -0.001 0.000 2.593 160 R HA 0.255 4.590 4.340 -0.009 0.000 0.282 160 R C -1.300 175.051 176.300 0.086 0.000 1.300 160 R CA -0.427 55.710 56.100 0.062 0.000 1.221 160 R CB 0.019 30.335 30.300 0.028 0.000 1.157 160 R HN 0.399 nan 8.270 nan 0.000 0.555 161 Y N 1.571 122.020 120.300 0.248 0.000 2.425 161 Y HA -0.037 4.507 4.550 -0.009 0.000 0.331 161 Y C 1.499 177.570 175.900 0.285 0.000 1.157 161 Y CA -0.019 58.216 58.100 0.226 0.000 1.372 161 Y CB 0.853 39.419 38.460 0.176 0.000 1.253 161 Y HN 0.576 nan 8.280 nan 0.000 0.536 162 E N 1.673 122.059 120.200 0.310 0.000 2.152 162 E HA -0.042 4.303 4.350 -0.009 0.000 0.192 162 E C -0.750 175.730 176.600 -0.200 0.000 0.983 162 E CA 0.722 57.109 56.400 -0.021 0.000 0.818 162 E CB 0.175 29.769 29.700 -0.177 0.000 0.758 162 E HN 0.453 nan 8.360 nan 0.000 0.467 163 F N -0.318 119.844 119.950 0.354 0.000 2.460 163 F HA 0.399 4.920 4.527 -0.009 0.000 0.341 163 F C 0.758 176.622 175.800 0.107 0.000 1.130 163 F CA -0.957 57.199 58.000 0.260 0.000 0.962 163 F CB 1.770 40.860 39.000 0.149 0.000 1.171 163 F HN -0.148 nan 8.300 nan 0.000 0.436 164 G N 1.875 110.746 108.800 0.119 0.000 2.531 164 G HA2 0.342 4.296 3.960 -0.009 0.000 0.253 164 G HA3 0.342 4.296 3.960 -0.009 0.000 0.253 164 G C -0.515 174.321 174.900 -0.106 0.000 1.439 164 G CA -0.670 44.348 45.100 -0.137 0.000 1.056 164 G HN 0.539 nan 8.290 nan 0.000 0.555 165 I N 0.929 121.353 120.570 -0.243 0.000 2.683 165 I HA 0.219 4.383 4.170 -0.009 0.000 0.286 165 I C 0.519 176.529 176.117 -0.178 0.000 1.175 165 I CA -1.156 59.987 61.300 -0.262 0.000 1.429 165 I CB -0.277 37.471 38.000 -0.419 0.000 1.371 165 I HN 0.329 nan 8.210 nan 0.000 0.569 166 F N 6.420 126.374 119.950 0.006 0.000 2.589 166 F HA 0.261 4.782 4.527 -0.009 0.000 0.352 166 F C 0.452 176.298 175.800 0.076 0.000 1.168 166 F CA -0.533 57.496 58.000 0.047 0.000 1.353 166 F CB -0.286 38.731 39.000 0.029 0.000 1.116 166 F HN 0.428 nan 8.300 nan 0.000 0.608 167 N N 2.372 121.255 118.700 0.305 0.000 2.488 167 N HA 0.060 4.794 4.740 -0.009 0.000 0.274 167 N C -0.861 174.886 175.510 0.395 0.000 1.111 167 N CA -0.308 52.888 53.050 0.244 0.000 0.974 167 N CB 1.241 39.859 38.487 0.219 0.000 1.089 167 N HN 0.758 nan 8.380 nan 0.000 0.465 168 Q N 2.476 122.479 119.800 0.338 0.000 2.274 168 Q HA 0.176 4.511 4.340 -0.009 0.000 0.256 168 Q C -0.960 175.208 176.000 0.281 0.000 0.927 168 Q CA -0.358 55.680 55.803 0.392 0.000 0.939 168 Q CB 0.714 29.687 28.738 0.390 0.000 1.201 168 Q HN 0.225 nan 8.270 nan 0.000 0.426 169 K N 4.165 124.705 120.400 0.233 0.000 2.259 169 K HA 0.482 4.796 4.320 -0.009 0.000 0.252 169 K C -0.711 175.982 176.600 0.155 0.000 0.936 169 K CA -0.866 55.533 56.287 0.187 0.000 0.810 169 K CB 1.604 34.194 32.500 0.149 0.000 1.143 169 K HN 0.635 nan 8.250 nan 0.000 0.427 170 I N 2.586 123.240 120.570 0.140 0.000 2.330 170 I HA 0.224 4.388 4.170 -0.009 0.000 0.289 170 I C -0.338 175.832 176.117 0.089 0.000 1.001 170 I CA -0.618 60.732 61.300 0.084 0.000 1.193 170 I CB 0.801 38.830 38.000 0.047 0.000 1.345 170 I HN 0.405 nan 8.210 nan 0.000 0.461 171 C N 3.897 123.259 119.300 0.103 0.000 2.340 171 C HA 0.592 5.046 4.460 -0.009 0.000 0.323 171 C C 1.165 176.254 174.990 0.165 0.000 1.260 171 C CA -0.487 58.599 59.018 0.114 0.000 1.464 171 C CB 0.598 28.399 27.740 0.101 0.000 2.156 171 C HN 1.085 nan 8.230 nan 0.000 0.476 172 G N 2.394 111.269 108.800 0.125 0.000 2.258 172 G HA2 0.107 4.062 3.960 -0.009 0.000 0.274 172 G HA3 0.107 4.062 3.960 -0.009 0.000 0.274 172 G C 1.115 176.059 174.900 0.074 0.000 1.021 172 G CA 1.026 46.216 45.100 0.150 0.000 0.798 172 G HN 2.413 nan 8.290 nan 0.000 0.507 173 G N -2.975 105.805 108.800 -0.033 0.000 2.179 173 G HA2 -0.299 3.656 3.960 -0.009 0.000 0.260 173 G HA3 -0.299 3.656 3.960 -0.009 0.000 0.260 173 G C 0.392 175.072 174.900 -0.366 0.000 0.977 173 G CA 0.732 45.694 45.100 -0.231 0.000 0.641 173 G HN 1.182 nan 8.290 nan 0.000 0.533 174 W N 0.646 121.888 121.300 -0.096 0.000 2.516 174 W HA 0.672 5.327 4.660 -0.009 0.000 0.343 174 W C 0.626 177.083 176.519 -0.105 0.000 1.094 174 W CA -0.840 56.440 57.345 -0.109 0.000 1.250 174 W CB 0.793 30.206 29.460 -0.078 0.000 1.308 174 W HN 0.232 nan 8.180 nan 0.000 0.588 175 Q N 2.704 122.594 119.800 0.150 0.000 2.304 175 Q HA 0.308 4.643 4.340 -0.009 0.000 0.260 175 Q C -0.690 175.358 176.000 0.079 0.000 0.965 175 Q CA 0.009 55.863 55.803 0.085 0.000 0.898 175 Q CB 0.607 29.385 28.738 0.067 0.000 1.196 175 Q HN 0.304 nan 8.270 nan 0.000 0.402 176 M N 3.059 122.700 119.600 0.069 0.000 2.393 176 M HA 0.392 4.866 4.480 -0.009 0.000 0.316 176 M C -1.175 175.126 176.300 0.002 0.000 1.087 176 M CA -0.685 54.627 55.300 0.020 0.000 0.937 176 M CB 1.832 34.460 32.600 0.047 0.000 1.668 176 M HN 0.619 nan 8.290 nan 0.000 0.438 177 E N 1.746 121.877 120.200 -0.116 0.000 2.204 177 E HA 0.535 4.879 4.350 -0.009 0.000 0.276 177 E C -0.700 175.886 176.600 -0.023 0.000 0.974 177 E CA -0.601 55.692 56.400 -0.178 0.000 0.815 177 E CB 1.745 31.070 29.700 -0.625 0.000 1.119 177 E HN 0.531 nan 8.360 nan 0.000 0.393 178 E N 0.769 121.038 120.200 0.114 0.000 2.331 178 E HA 0.675 5.019 4.350 -0.009 0.000 0.275 178 E C -1.185 175.511 176.600 0.159 0.000 0.895 178 E CA -1.423 55.039 56.400 0.103 0.000 0.753 178 E CB 1.393 31.160 29.700 0.112 0.000 1.216 178 E HN 0.485 nan 8.360 nan 0.000 0.434 179 A N 2.497 125.372 122.820 0.092 0.000 2.567 179 A HA 0.028 4.343 4.320 -0.009 0.000 0.240 179 A C 0.021 177.783 177.584 0.297 0.000 1.053 179 A CA 0.487 52.598 52.037 0.124 0.000 0.755 179 A CB -0.046 18.912 19.000 -0.069 0.000 0.978 179 A HN 0.681 nan 8.150 nan 0.000 0.507 180 D N 1.811 122.454 120.400 0.405 0.000 2.522 180 D HA 0.196 4.831 4.640 -0.009 0.000 0.218 180 D C -0.359 176.257 176.300 0.527 0.000 1.149 180 D CA -0.216 54.017 54.000 0.388 0.000 0.981 180 D CB 0.236 41.192 40.800 0.261 0.000 1.041 180 D HN 0.409 nan 8.370 nan 0.000 0.518 181 D N 3.374 124.052 120.400 0.463 0.000 2.801 181 D HA -0.031 4.604 4.640 -0.009 0.000 0.232 181 D C 1.254 177.682 176.300 0.212 0.000 1.128 181 D CA -0.530 53.646 54.000 0.293 0.000 1.003 181 D CB -0.190 40.796 40.800 0.309 0.000 1.110 181 D HN 0.517 nan 8.370 nan 0.000 0.477 182 W N 1.777 123.097 121.300 0.033 0.000 2.468 182 W HA -0.060 4.594 4.660 -0.009 0.000 0.262 182 W C 0.056 176.619 176.519 0.072 0.000 1.241 182 W CA 0.180 57.569 57.345 0.074 0.000 1.232 182 W CB -0.750 28.754 29.460 0.074 0.000 1.124 182 W HN 0.209 nan 8.180 nan 0.000 0.597 183 L N 0.886 121.748 121.223 -0.601 0.000 2.607 183 L HA 0.173 4.507 4.340 -0.009 0.000 0.228 183 L C 2.749 179.453 176.870 -0.278 0.000 1.123 183 L CA -0.030 54.427 54.840 -0.639 0.000 0.890 183 L CB -0.631 40.935 42.059 -0.822 0.000 1.103 183 L HN -0.107 nan 8.230 nan 0.000 0.468 184 R N 0.805 121.203 120.500 -0.170 0.000 2.136 184 R HA -0.253 4.082 4.340 -0.009 0.000 0.242 184 R C 1.435 177.574 176.300 -0.269 0.000 1.131 184 R CA 2.259 58.231 56.100 -0.213 0.000 0.937 184 R CB -0.303 29.864 30.300 -0.222 0.000 0.863 184 R HN 0.290 nan 8.270 nan 0.000 0.435 185 Y N -0.237 120.077 120.300 0.022 0.000 2.461 185 Y HA 0.301 4.846 4.550 -0.009 0.000 0.277 185 Y C 0.841 176.735 175.900 -0.011 0.000 1.182 185 Y CA 0.522 58.643 58.100 0.036 0.000 1.276 185 Y CB 0.685 39.276 38.460 0.218 0.000 1.087 185 Y HN 0.508 nan 8.280 nan 0.000 0.519 186 G N 1.250 110.091 108.800 0.069 0.000 2.690 186 G HA2 -0.226 3.728 3.960 -0.009 0.000 0.686 186 G HA3 -0.226 3.728 3.960 -0.009 0.000 0.686 186 G C -1.223 173.747 174.900 0.118 0.000 1.277 186 G CA -0.817 44.293 45.100 0.016 0.000 0.799 186 G HN 0.256 nan 8.290 nan 0.000 0.613 187 N N 1.335 120.047 118.700 0.019 0.000 2.569 187 N HA 0.560 5.295 4.740 -0.009 0.000 0.254 187 N C -0.492 175.015 175.510 -0.006 0.000 1.004 187 N CA -1.893 51.181 53.050 0.041 0.000 0.904 187 N CB 2.028 40.470 38.487 -0.075 0.000 1.165 187 N HN 0.261 nan 8.380 nan 0.000 0.513 188 P HA -0.023 nan 4.420 nan 0.000 0.223 188 P C 0.655 177.632 177.300 -0.538 0.000 1.151 188 P CA 0.856 63.642 63.100 -0.524 0.000 0.787 188 P CB 0.125 31.229 31.700 -0.993 0.000 0.788 189 W N 1.996 123.298 121.300 0.003 0.000 2.518 189 W HA 0.036 4.690 4.660 -0.009 0.000 0.273 189 W C 1.337 177.892 176.519 0.061 0.000 1.247 189 W CA -0.295 57.051 57.345 0.002 0.000 1.288 189 W CB -0.371 29.093 29.460 0.006 0.000 1.107 189 W HN 0.040 nan 8.180 nan 0.000 0.586 190 E N 1.684 122.050 120.200 0.277 0.000 2.319 190 E HA 0.341 4.686 4.350 -0.009 0.000 0.268 190 E C -0.605 176.158 176.600 0.272 0.000 1.050 190 E CA -0.774 55.802 56.400 0.293 0.000 0.878 190 E CB 1.330 31.211 29.700 0.302 0.000 1.066 190 E HN -0.326 nan 8.360 nan 0.000 0.406 191 K N 1.588 122.164 120.400 0.294 0.000 2.579 191 K HA 0.418 4.732 4.320 -0.009 0.000 0.250 191 K C -1.206 175.418 176.600 0.041 0.000 0.952 191 K CA -0.479 55.914 56.287 0.176 0.000 0.857 191 K CB 1.527 34.136 32.500 0.181 0.000 1.123 191 K HN 0.675 nan 8.250 nan 0.000 0.433 192 A N 3.967 126.722 122.820 -0.108 0.000 2.498 192 A HA 0.383 4.698 4.320 -0.009 0.000 0.239 192 A C -0.243 177.145 177.584 -0.326 0.000 1.068 192 A CA -0.093 51.628 52.037 -0.527 0.000 0.766 192 A CB 0.239 18.898 19.000 -0.569 0.000 1.003 192 A HN 0.669 nan 8.150 nan 0.000 0.497 193 R N 2.783 123.074 120.500 -0.347 0.000 2.738 193 R HA 0.196 4.530 4.340 -0.009 0.000 0.280 193 R C -2.353 173.786 176.300 -0.268 0.000 1.456 193 R CA -1.591 54.366 56.100 -0.239 0.000 1.612 193 R CB 0.654 30.974 30.300 0.033 0.000 1.286 193 R HN 0.605 nan 8.270 nan 0.000 0.660 194 P HA -0.207 nan 4.420 nan 0.000 0.220 194 P C 0.815 178.001 177.300 -0.190 0.000 1.144 194 P CA 1.231 64.226 63.100 -0.176 0.000 0.800 194 P CB 0.385 31.995 31.700 -0.150 0.000 0.772 195 E N 0.061 120.029 120.200 -0.388 0.000 2.347 195 E HA -0.126 4.218 4.350 -0.009 0.000 0.196 195 E C 1.034 177.409 176.600 -0.375 0.000 1.008 195 E CA 0.744 56.867 56.400 -0.462 0.000 0.852 195 E CB -0.990 28.283 29.700 -0.711 0.000 0.783 195 E HN 0.392 nan 8.360 nan 0.000 0.505 196 F N 1.886 121.845 119.950 0.015 0.000 2.684 196 F HA 0.227 4.749 4.527 -0.009 0.000 0.298 196 F C 0.524 176.412 175.800 0.146 0.000 1.120 196 F CA -0.657 57.383 58.000 0.066 0.000 1.332 196 F CB 0.533 39.566 39.000 0.055 0.000 0.986 196 F HN -0.285 nan 8.300 nan 0.000 0.524 197 T N 2.923 117.609 114.554 0.221 0.000 2.928 197 T HA 0.216 4.560 4.350 -0.009 0.000 0.305 197 T C -0.218 174.580 174.700 0.164 0.000 1.035 197 T CA 0.326 62.555 62.100 0.216 0.000 1.145 197 T CB 0.743 69.684 68.868 0.122 0.000 0.963 197 T HN -0.119 nan 8.240 nan 0.000 0.545 198 L N 5.685 126.973 121.223 0.109 0.000 2.370 198 L HA 0.574 4.908 4.340 -0.009 0.000 0.266 198 L C -2.182 174.632 176.870 -0.093 0.000 1.002 198 L CA -2.539 52.287 54.840 -0.023 0.000 0.818 198 L CB 1.909 43.885 42.059 -0.139 0.000 1.325 198 L HN 0.390 nan 8.230 nan 0.000 0.418 199 P HA 0.366 nan 4.420 nan 0.000 0.288 199 P C -1.228 175.913 177.300 -0.266 0.000 1.267 199 P CA -0.389 62.611 63.100 -0.167 0.000 0.815 199 P CB 1.940 33.544 31.700 -0.160 0.000 0.989 200 V N 4.037 123.780 119.914 -0.286 0.000 2.604 200 V HA 0.328 4.442 4.120 -0.009 0.000 0.305 200 V C 0.219 176.053 176.094 -0.434 0.000 1.043 200 V CA -0.626 61.489 62.300 -0.308 0.000 0.888 200 V CB 1.515 33.235 31.823 -0.172 0.000 0.995 200 V HN 0.610 nan 8.190 nan 0.000 0.429 201 H N 3.730 122.625 119.070 -0.291 0.000 2.479 201 H HA 0.637 5.187 4.556 -0.009 0.000 0.335 201 H C -1.284 173.731 175.328 -0.520 0.000 1.142 201 H CA -0.154 55.641 56.048 -0.421 0.000 1.234 201 H CB 1.890 31.149 29.762 -0.839 0.000 1.503 201 H HN 0.479 nan 8.280 nan 0.000 0.510 202 F N 0.157 120.150 119.950 0.072 0.000 2.613 202 F HA 0.207 4.728 4.527 -0.009 0.000 0.314 202 F C -0.274 175.626 175.800 0.166 0.000 1.075 202 F CA -0.584 57.457 58.000 0.068 0.000 0.945 202 F CB 1.051 39.992 39.000 -0.097 0.000 1.310 202 F HN 0.534 nan 8.300 nan 0.000 0.467 203 Y N 0.233 120.827 120.300 0.490 0.000 2.896 203 Y HA -0.005 4.540 4.550 -0.009 0.000 0.466 203 Y C 1.360 177.515 175.900 0.426 0.000 1.197 203 Y CA 0.709 59.022 58.100 0.354 0.000 2.513 203 Y CB -1.898 36.706 38.460 0.240 0.000 1.232 203 Y HN 1.326 nan 8.280 nan 0.000 0.632 204 G N 0.649 109.734 108.800 0.475 0.000 2.642 204 G HA2 0.115 4.069 3.960 -0.009 0.000 0.231 204 G HA3 0.115 4.069 3.960 -0.009 0.000 0.231 204 G C -0.579 174.538 174.900 0.360 0.000 1.338 204 G CA 0.864 46.171 45.100 0.345 0.000 0.883 204 G HN 1.361 nan 8.290 nan 0.000 0.570 205 R N -2.539 118.167 120.500 0.343 0.000 2.734 205 R HA 0.706 5.040 4.340 -0.009 0.000 0.271 205 R C -1.341 175.087 176.300 0.213 0.000 1.021 205 R CA -1.007 55.231 56.100 0.230 0.000 0.893 205 R CB 1.325 31.710 30.300 0.141 0.000 1.244 205 R HN 0.868 nan 8.270 nan 0.000 0.464 206 V N 0.876 120.829 119.914 0.066 0.000 2.427 206 V HA 0.348 4.462 4.120 -0.009 0.000 0.286 206 V C -0.165 175.850 176.094 -0.132 0.000 1.034 206 V CA -0.494 61.770 62.300 -0.060 0.000 0.893 206 V CB 1.385 33.093 31.823 -0.192 0.000 0.982 206 V HN 0.696 nan 8.190 nan 0.000 0.452 207 E N 2.907 123.012 120.200 -0.158 0.000 2.158 207 E HA 0.386 4.731 4.350 -0.009 0.000 0.271 207 E C -1.084 175.385 176.600 -0.220 0.000 0.911 207 E CA -0.704 55.622 56.400 -0.122 0.000 0.767 207 E CB 0.913 30.597 29.700 -0.026 0.000 1.120 207 E HN 0.680 nan 8.360 nan 0.000 0.405 208 H N 2.824 121.909 119.070 0.025 0.000 2.641 208 H HA 0.169 4.720 4.556 -0.009 0.000 0.295 208 H C 0.350 175.688 175.328 0.016 0.000 1.070 208 H CA -0.136 55.922 56.048 0.017 0.000 1.257 208 H CB 0.861 30.629 29.762 0.009 0.000 1.393 208 H HN 0.574 nan 8.280 nan 0.000 0.464 209 T N -0.832 113.785 114.554 0.104 0.000 2.864 209 T HA 0.172 4.516 4.350 -0.009 0.000 0.276 209 T C 1.625 176.363 174.700 0.063 0.000 1.006 209 T CA -0.259 61.882 62.100 0.069 0.000 0.970 209 T CB 0.533 69.426 68.868 0.042 0.000 1.420 209 T HN 0.358 nan 8.240 nan 0.000 0.601 210 S N 0.045 115.771 115.700 0.043 0.000 2.359 210 S HA -0.114 4.351 4.470 -0.009 0.000 0.224 210 S C 1.074 175.695 174.600 0.035 0.000 1.035 210 S CA 1.082 59.303 58.200 0.034 0.000 1.018 210 S CB -0.560 62.656 63.200 0.026 0.000 0.876 210 S HN 0.700 nan 8.310 nan 0.000 0.448 211 Q N 0.653 120.475 119.800 0.037 0.000 2.965 211 Q HA 0.562 4.897 4.340 -0.009 0.000 0.288 211 Q C -0.177 175.847 176.000 0.041 0.000 0.974 211 Q CA 0.418 56.242 55.803 0.036 0.000 0.849 211 Q CB 0.802 29.558 28.738 0.029 0.000 1.280 211 Q HN 0.633 nan 8.270 nan 0.000 0.441 212 G N 0.180 109.014 108.800 0.056 0.000 2.539 212 G HA2 0.271 4.225 3.960 -0.009 0.000 0.686 212 G HA3 0.271 4.225 3.960 -0.009 0.000 0.686 212 G C -1.020 173.917 174.900 0.063 0.000 1.258 212 G CA -0.608 44.529 45.100 0.062 0.000 0.846 212 G HN 0.565 nan 8.290 nan 0.000 0.647 213 A N 0.838 123.690 122.820 0.053 0.000 2.340 213 A HA 0.801 5.116 4.320 -0.009 0.000 0.268 213 A C 0.433 177.988 177.584 -0.048 0.000 1.100 213 A CA 0.049 52.056 52.037 -0.051 0.000 0.803 213 A CB 0.714 19.666 19.000 -0.079 0.000 1.043 213 A HN 0.768 nan 8.150 nan 0.000 0.488 214 K N 0.867 121.226 120.400 -0.068 0.000 2.427 214 K HA 0.232 4.547 4.320 -0.009 0.000 0.252 214 K C -1.745 174.896 176.600 0.068 0.000 0.931 214 K CA -0.399 55.890 56.287 0.003 0.000 0.793 214 K CB 2.180 34.680 32.500 0.001 0.000 1.211 214 K HN 0.724 nan 8.250 nan 0.000 0.426 215 W N 5.364 126.587 121.300 -0.129 0.000 2.308 215 W HA 0.348 5.002 4.660 -0.009 0.000 0.311 215 W C -0.687 175.768 176.519 -0.106 0.000 1.088 215 W CA -0.808 56.466 57.345 -0.120 0.000 1.309 215 W CB 0.150 29.529 29.460 -0.137 0.000 1.229 215 W HN 0.347 nan 8.180 nan 0.000 0.427 216 V N 2.720 122.703 119.914 0.115 0.000 3.158 216 V HA 0.606 4.720 4.120 -0.009 0.000 0.315 216 V C -0.070 176.014 176.094 -0.017 0.000 1.148 216 V CA -0.921 61.362 62.300 -0.028 0.000 1.042 216 V CB 1.849 33.680 31.823 0.013 0.000 1.101 216 V HN 0.449 nan 8.190 nan 0.000 0.448 217 D N 0.345 120.734 120.400 -0.019 0.000 2.708 217 D HA -0.141 4.494 4.640 -0.009 0.000 0.236 217 D C 0.553 176.873 176.300 0.033 0.000 1.146 217 D CA 1.496 55.509 54.000 0.021 0.000 0.662 217 D CB -1.608 39.225 40.800 0.055 0.000 1.059 217 D HN 1.284 nan 8.370 nan 0.000 0.428 218 T N -3.111 111.416 114.554 -0.045 0.000 2.874 218 T HA 0.396 4.741 4.350 -0.009 0.000 0.281 218 T C 0.282 175.058 174.700 0.126 0.000 0.994 218 T CA -0.822 61.270 62.100 -0.014 0.000 1.015 218 T CB 2.564 71.245 68.868 -0.311 0.000 1.028 218 T HN 0.157 nan 8.240 nan 0.000 0.523 219 Q N 0.858 120.802 119.800 0.241 0.000 2.257 219 Q HA 0.521 4.855 4.340 -0.009 0.000 0.255 219 Q C -1.421 174.723 176.000 0.241 0.000 0.920 219 Q CA -0.795 55.182 55.803 0.289 0.000 0.927 219 Q CB 1.207 30.210 28.738 0.441 0.000 1.229 219 Q HN 0.627 nan 8.270 nan 0.000 0.433 220 V N 4.330 124.340 119.914 0.161 0.000 2.427 220 V HA 0.442 4.556 4.120 -0.009 0.000 0.286 220 V C -0.408 175.731 176.094 0.073 0.000 1.034 220 V CA -0.617 61.689 62.300 0.009 0.000 0.893 220 V CB 1.698 33.471 31.823 -0.083 0.000 0.982 220 V HN 0.588 nan 8.190 nan 0.000 0.452 221 V N 5.959 125.925 119.914 0.087 0.000 2.588 221 V HA 0.471 4.585 4.120 -0.009 0.000 0.304 221 V C -0.182 175.981 176.094 0.115 0.000 1.042 221 V CA -0.592 61.771 62.300 0.105 0.000 0.877 221 V CB 1.920 33.894 31.823 0.251 0.000 0.996 221 V HN 0.640 nan 8.190 nan 0.000 0.425 222 L N 3.631 124.908 121.223 0.089 0.000 2.375 222 L HA 0.739 5.074 4.340 -0.009 0.000 0.271 222 L C 0.475 177.510 176.870 0.274 0.000 1.107 222 L CA -0.321 54.588 54.840 0.116 0.000 0.806 222 L CB 1.294 43.400 42.059 0.078 0.000 1.146 222 L HN 0.750 nan 8.230 nan 0.000 0.447 223 A N 4.939 127.877 122.820 0.197 0.000 2.267 223 A HA 0.577 4.892 4.320 -0.009 0.000 0.315 223 A C -0.503 177.347 177.584 0.444 0.000 1.297 223 A CA -0.471 51.726 52.037 0.267 0.000 0.865 223 A CB 0.956 19.680 19.000 -0.460 0.000 1.165 223 A HN 0.784 nan 8.150 nan 0.000 0.513 224 M N 6.164 126.075 119.600 0.520 0.000 2.129 224 M HA 0.454 4.928 4.480 -0.009 0.000 0.348 224 M C -2.591 173.967 176.300 0.430 0.000 1.116 224 M CA -2.104 53.440 55.300 0.406 0.000 1.022 224 M CB 2.084 34.848 32.600 0.274 0.000 1.599 224 M HN 0.384 nan 8.290 nan 0.000 0.449 225 P HA 0.267 nan 4.420 nan 0.000 0.286 225 P C -1.980 175.251 177.300 -0.114 0.000 1.261 225 P CA -0.158 62.859 63.100 -0.137 0.000 0.821 225 P CB 0.784 32.171 31.700 -0.521 0.000 1.013 226 Y N 0.569 120.807 120.300 -0.104 0.000 2.331 226 Y HA 0.327 4.871 4.550 -0.009 0.000 0.334 226 Y C 0.189 176.080 175.900 -0.015 0.000 0.960 226 Y CA -0.271 57.824 58.100 -0.007 0.000 1.130 226 Y CB 1.435 39.919 38.460 0.041 0.000 1.164 226 Y HN 0.218 nan 8.280 nan 0.000 0.458 227 D N 1.836 122.344 120.400 0.181 0.000 2.168 227 D HA 0.451 5.086 4.640 -0.009 0.000 0.246 227 D C -0.615 175.913 176.300 0.381 0.000 1.050 227 D CA -0.251 53.896 54.000 0.244 0.000 0.857 227 D CB 1.824 42.793 40.800 0.282 0.000 1.169 227 D HN 0.369 nan 8.370 nan 0.000 0.453 228 T N 2.888 117.582 114.554 0.235 0.000 2.824 228 T HA 0.472 4.817 4.350 -0.009 0.000 0.282 228 T C -2.547 172.018 174.700 -0.226 0.000 0.993 228 T CA -1.425 60.716 62.100 0.067 0.000 0.967 228 T CB 2.146 71.041 68.868 0.044 0.000 0.960 228 T HN 0.182 nan 8.240 nan 0.000 0.441 229 P HA 0.331 nan 4.420 nan 0.000 0.275 229 P C -1.031 175.946 177.300 -0.540 0.000 1.227 229 P CA -0.399 62.031 63.100 -1.116 0.000 0.781 229 P CB 0.917 31.703 31.700 -1.523 0.000 0.906 230 V N 5.142 124.799 119.914 -0.428 0.000 2.340 230 V HA 0.255 4.369 4.120 -0.009 0.000 0.277 230 V C -2.026 173.940 176.094 -0.214 0.000 1.017 230 V CA -1.880 60.265 62.300 -0.259 0.000 0.820 230 V CB 1.390 33.109 31.823 -0.174 0.000 1.028 230 V HN 0.558 nan 8.190 nan 0.000 0.436 231 P HA 0.266 nan 4.420 nan 0.000 0.280 231 P C 0.335 177.587 177.300 -0.079 0.000 1.244 231 P CA 0.314 63.328 63.100 -0.142 0.000 0.784 231 P CB 1.767 33.378 31.700 -0.148 0.000 0.913 232 G N 2.202 110.973 108.800 -0.048 0.000 2.562 232 G HA2 0.149 4.103 3.960 -0.009 0.000 0.275 232 G HA3 0.149 4.103 3.960 -0.009 0.000 0.275 232 G C -1.199 173.715 174.900 0.024 0.000 1.196 232 G CA -0.613 44.487 45.100 0.001 0.000 0.908 232 G HN 0.526 nan 8.290 nan 0.000 0.524 233 Y N 0.957 121.223 120.300 -0.057 0.000 2.624 233 Y HA 0.252 4.796 4.550 -0.009 0.000 0.354 233 Y C 1.345 177.210 175.900 -0.058 0.000 1.051 233 Y CA -0.192 57.869 58.100 -0.064 0.000 1.377 233 Y CB -0.119 38.301 38.460 -0.066 0.000 1.168 233 Y HN 0.719 nan 8.280 nan 0.000 0.525 234 R N 3.110 123.315 120.500 -0.491 0.000 3.610 234 R HA -0.324 4.011 4.340 -0.009 0.000 0.274 234 R C 0.025 176.191 176.300 -0.224 0.000 1.123 234 R CA 1.349 57.186 56.100 -0.437 0.000 0.747 234 R CB -2.139 27.727 30.300 -0.724 0.000 1.149 234 R HN 0.950 nan 8.270 nan 0.000 0.471 235 N N -0.785 117.836 118.700 -0.131 0.000 2.170 235 N HA 0.053 4.788 4.740 -0.009 0.000 0.222 235 N C -0.082 175.387 175.510 -0.068 0.000 1.218 235 N CA -0.530 52.476 53.050 -0.074 0.000 0.889 235 N CB 0.503 38.974 38.487 -0.027 0.000 1.083 235 N HN 0.088 nan 8.380 nan 0.000 0.520 236 N N -0.169 118.484 118.700 -0.078 0.000 2.753 236 N HA -0.133 4.601 4.740 -0.009 0.000 0.251 236 N C -0.945 174.531 175.510 -0.057 0.000 1.097 236 N CA 0.580 53.592 53.050 -0.064 0.000 0.786 236 N CB -1.231 37.218 38.487 -0.063 0.000 1.137 236 N HN 0.189 nan 8.380 nan 0.000 0.566 237 V N 1.163 121.048 119.914 -0.048 0.000 2.509 237 V HA 0.459 4.574 4.120 -0.009 0.000 0.284 237 V C 0.564 176.635 176.094 -0.039 0.000 1.047 237 V CA -0.472 61.808 62.300 -0.034 0.000 0.952 237 V CB 2.181 34.008 31.823 0.008 0.000 0.988 237 V HN -0.042 nan 8.190 nan 0.000 0.469 238 V N 5.351 125.248 119.914 -0.029 0.000 2.462 238 V HA 0.425 4.539 4.120 -0.009 0.000 0.288 238 V C -0.112 175.975 176.094 -0.011 0.000 1.020 238 V CA -0.863 61.389 62.300 -0.080 0.000 0.857 238 V CB 1.446 33.197 31.823 -0.119 0.000 1.013 238 V HN 0.844 nan 8.190 nan 0.000 0.431 239 N N 1.958 120.627 118.700 -0.052 0.000 2.418 239 N HA 0.569 5.304 4.740 -0.009 0.000 0.283 239 N C -0.003 175.503 175.510 -0.006 0.000 1.267 239 N CA -0.265 52.779 53.050 -0.011 0.000 0.975 239 N CB 1.101 39.539 38.487 -0.082 0.000 1.167 239 N HN 0.581 nan 8.380 nan 0.000 0.581 240 T N 0.664 115.224 114.554 0.010 0.000 2.863 240 T HA 0.447 4.792 4.350 -0.009 0.000 0.285 240 T C -0.337 174.345 174.700 -0.030 0.000 1.009 240 T CA -0.531 61.644 62.100 0.124 0.000 0.989 240 T CB 1.226 70.293 68.868 0.331 0.000 1.004 240 T HN 0.328 nan 8.240 nan 0.000 0.455 241 M N 3.517 123.068 119.600 -0.081 0.000 2.125 241 M HA 0.525 5.000 4.480 -0.009 0.000 0.321 241 M C -0.702 175.463 176.300 -0.225 0.000 0.983 241 M CA -0.727 54.431 55.300 -0.237 0.000 0.934 241 M CB 0.936 33.344 32.600 -0.320 0.000 1.542 241 M HN 0.483 nan 8.290 nan 0.000 0.424 242 R N 5.664 125.926 120.500 -0.397 0.000 2.295 242 R HA 0.645 4.980 4.340 -0.009 0.000 0.324 242 R C -1.935 174.114 176.300 -0.418 0.000 0.968 242 R CA -0.439 55.399 56.100 -0.438 0.000 0.837 242 R CB 0.970 30.858 30.300 -0.687 0.000 1.133 242 R HN 0.820 nan 8.270 nan 0.000 0.450 243 L N 4.981 126.052 121.223 -0.254 0.000 2.322 243 L HA 0.497 4.832 4.340 -0.009 0.000 0.281 243 L C -0.834 175.991 176.870 -0.075 0.000 1.014 243 L CA -0.903 53.874 54.840 -0.105 0.000 0.815 243 L CB 1.466 43.543 42.059 0.030 0.000 1.247 243 L HN 0.577 nan 8.230 nan 0.000 0.421 244 W N 1.857 123.281 121.300 0.206 0.000 2.316 244 W HA 0.489 5.144 4.660 -0.009 0.000 0.321 244 W C 0.539 177.282 176.519 0.373 0.000 1.203 244 W CA -0.196 57.291 57.345 0.237 0.000 1.214 244 W CB 1.418 30.874 29.460 -0.007 0.000 1.169 244 W HN 0.333 nan 8.180 nan 0.000 0.561 245 S N 1.856 117.958 115.700 0.670 0.000 2.482 245 S HA 0.772 5.237 4.470 -0.009 0.000 0.303 245 S C -0.436 174.494 174.600 0.550 0.000 1.091 245 S CA -0.722 57.775 58.200 0.495 0.000 1.057 245 S CB 0.613 64.045 63.200 0.387 0.000 1.031 245 S HN 0.542 nan 8.310 nan 0.000 0.485 246 A N 4.752 127.737 122.820 0.276 0.000 2.363 246 A HA 0.659 4.973 4.320 -0.009 0.000 0.270 246 A C -0.126 177.512 177.584 0.089 0.000 1.121 246 A CA -0.240 51.852 52.037 0.092 0.000 0.800 246 A CB 0.350 19.136 19.000 -0.357 0.000 1.052 246 A HN 0.654 nan 8.150 nan 0.000 0.493 247 K N 1.033 121.489 120.400 0.093 0.000 2.482 247 K HA 0.583 4.897 4.320 -0.009 0.000 0.251 247 K C -0.667 175.891 176.600 -0.069 0.000 0.936 247 K CA -0.378 55.927 56.287 0.029 0.000 0.791 247 K CB 2.187 34.740 32.500 0.088 0.000 1.213 247 K HN 0.847 nan 8.250 nan 0.000 0.428 248 A N 4.655 127.368 122.820 -0.177 0.000 2.363 248 A HA 0.476 4.790 4.320 -0.009 0.000 0.270 248 A C -2.082 175.412 177.584 -0.150 0.000 1.121 248 A CA -1.106 50.704 52.037 -0.378 0.000 0.800 248 A CB -0.193 18.401 19.000 -0.675 0.000 1.052 248 A HN 0.364 nan 8.150 nan 0.000 0.493 249 P HA 0.057 nan 4.420 nan 0.000 0.270 249 P C -0.072 177.293 177.300 0.108 0.000 1.223 249 P CA -0.302 62.824 63.100 0.044 0.000 0.785 249 P CB 0.589 32.339 31.700 0.082 0.000 0.923 250 N N 0.742 119.499 118.700 0.095 0.000 2.512 250 N HA -0.101 4.634 4.740 -0.009 0.000 0.183 250 N C 0.815 176.404 175.510 0.131 0.000 1.073 250 N CA 0.904 54.018 53.050 0.108 0.000 0.911 250 N CB -0.420 38.114 38.487 0.078 0.000 0.964 250 N HN 0.567 nan 8.380 nan 0.000 0.447 251 D N -0.989 119.495 120.400 0.140 0.000 2.424 251 D HA -0.056 4.579 4.640 -0.009 0.000 0.220 251 D C -0.009 176.380 176.300 0.149 0.000 1.150 251 D CA -0.676 53.397 54.000 0.122 0.000 0.831 251 D CB -0.835 40.018 40.800 0.088 0.000 0.981 251 D HN -0.045 nan 8.370 nan 0.000 0.500 252 F N 2.543 122.511 119.950 0.030 0.000 2.578 252 F HA 0.113 4.635 4.527 -0.009 0.000 0.381 252 F C 1.052 176.862 175.800 0.016 0.000 1.069 252 F CA 0.180 58.195 58.000 0.024 0.000 1.231 252 F CB 0.194 39.207 39.000 0.023 0.000 1.086 252 F HN -0.088 nan 8.300 nan 0.000 0.564 253 N N 2.591 120.941 118.700 -0.583 0.000 2.857 253 N HA -0.285 4.450 4.740 -0.009 0.000 0.242 253 N C -0.557 174.856 175.510 -0.162 0.000 0.983 253 N CA 1.611 54.395 53.050 -0.444 0.000 0.934 253 N CB -1.277 36.933 38.487 -0.463 0.000 1.115 253 N HN 0.511 nan 8.380 nan 0.000 0.593 262 Y N 3.549 123.845 120.300 -0.007 0.000 2.128 262 Y HA -0.128 4.416 4.550 -0.009 0.000 0.284 262 Y C 2.318 178.221 175.900 0.004 0.000 1.154 262 Y CA 1.955 60.054 58.100 -0.002 0.000 1.149 262 Y CB 0.071 38.532 38.460 0.002 0.000 0.976 262 Y HN 0.412 nan 8.280 nan 0.000 0.505 263 I N 0.529 121.015 120.570 -0.140 0.000 2.163 263 I HA -0.312 3.852 4.170 -0.009 0.000 0.243 263 I C 2.390 178.397 176.117 -0.184 0.000 1.085 263 I CA 1.529 62.699 61.300 -0.217 0.000 1.347 263 I CB -1.379 36.603 38.000 -0.029 0.000 1.044 263 I HN 0.385 nan 8.210 nan 0.000 0.408 264 Q N 0.468 120.208 119.800 -0.100 0.000 2.124 264 Q HA -0.113 4.222 4.340 -0.009 0.000 0.202 264 Q C 2.373 178.316 176.000 -0.094 0.000 0.977 264 Q CA 1.820 57.579 55.803 -0.074 0.000 0.850 264 Q CB -0.293 28.419 28.738 -0.044 0.000 0.901 264 Q HN 0.548 nan 8.270 nan 0.000 0.429 265 A N -0.106 122.639 122.820 -0.126 0.000 1.902 265 A HA -0.129 4.186 4.320 -0.009 0.000 0.217 265 A C 2.385 179.904 177.584 -0.108 0.000 1.181 265 A CA 1.590 53.551 52.037 -0.127 0.000 0.623 265 A CB -0.590 18.340 19.000 -0.117 0.000 0.818 265 A HN 0.225 nan 8.150 nan 0.000 0.443 266 V N 0.175 119.965 119.914 -0.206 0.000 2.358 266 V HA -0.220 3.895 4.120 -0.009 0.000 0.246 266 V C 2.513 178.578 176.094 -0.049 0.000 1.047 266 V CA 1.791 64.000 62.300 -0.151 0.000 1.035 266 V CB -0.738 30.903 31.823 -0.303 0.000 0.658 266 V HN 0.565 nan 8.190 nan 0.000 0.452 267 L N -0.199 120.985 121.223 -0.064 0.000 2.141 267 L HA -0.144 4.191 4.340 -0.009 0.000 0.209 267 L C 2.014 178.902 176.870 0.028 0.000 1.094 267 L CA 1.233 56.062 54.840 -0.017 0.000 0.763 267 L CB -0.696 41.347 42.059 -0.027 0.000 0.908 267 L HN 0.331 nan 8.230 nan 0.000 0.437 268 D N 0.034 120.458 120.400 0.040 0.000 2.378 268 D HA -0.078 4.556 4.640 -0.009 0.000 0.227 268 D C 2.137 178.598 176.300 0.269 0.000 1.012 268 D CA 0.468 54.528 54.000 0.099 0.000 0.905 268 D CB -0.003 40.816 40.800 0.032 0.000 0.895 268 D HN 0.248 nan 8.370 nan 0.000 0.532 269 R N 0.250 120.909 120.500 0.265 0.000 2.120 269 R HA -0.053 4.281 4.340 -0.009 0.000 0.234 269 R C 1.533 177.873 176.300 0.067 0.000 1.123 269 R CA 0.858 57.114 56.100 0.260 0.000 0.975 269 R CB -0.257 30.126 30.300 0.138 0.000 0.866 269 R HN 0.238 nan 8.270 nan 0.000 0.446 270 N N 0.154 118.896 118.700 0.070 0.000 2.519 270 N HA -0.134 4.601 4.740 -0.009 0.000 0.186 270 N C 0.974 176.504 175.510 0.033 0.000 1.062 270 N CA 0.350 53.422 53.050 0.036 0.000 0.910 270 N CB 0.047 38.558 38.487 0.040 0.000 0.958 270 N HN 0.041 nan 8.380 nan 0.000 0.445 271 L N 0.305 121.573 121.223 0.075 0.000 2.072 271 L HA 0.034 4.369 4.340 -0.009 0.000 0.205 271 L C 2.256 179.131 176.870 0.008 0.000 1.079 271 L CA 1.189 56.073 54.840 0.074 0.000 0.752 271 L CB -0.757 41.393 42.059 0.153 0.000 0.906 271 L HN 0.134 nan 8.230 nan 0.000 0.436 272 A N -1.049 121.728 122.820 -0.071 0.000 1.970 272 A HA -0.101 4.214 4.320 -0.009 0.000 0.216 272 A C 2.061 179.527 177.584 -0.196 0.000 1.170 272 A CA 0.907 52.824 52.037 -0.200 0.000 0.645 272 A CB -0.344 18.358 19.000 -0.496 0.000 0.816 272 A HN 0.484 nan 8.150 nan 0.000 0.447 273 E N 0.270 120.381 120.200 -0.149 0.000 2.427 273 E HA -0.081 4.263 4.350 -0.009 0.000 0.196 273 E C 0.864 177.429 176.600 -0.059 0.000 1.028 273 E CA 0.222 56.561 56.400 -0.101 0.000 0.864 273 E CB -0.159 29.509 29.700 -0.053 0.000 0.813 273 E HN 0.441 nan 8.360 nan 0.000 0.514 274 N N 1.107 119.782 118.700 -0.042 0.000 2.443 274 N HA -0.083 4.651 4.740 -0.009 0.000 0.184 274 N C 1.608 177.115 175.510 -0.006 0.000 1.037 274 N CA 0.574 53.626 53.050 0.004 0.000 0.896 274 N CB -0.043 38.452 38.487 0.013 0.000 0.959 274 N HN 0.279 nan 8.380 nan 0.000 0.442 275 I N 0.308 120.814 120.570 -0.108 0.000 2.208 275 I HA -0.242 3.922 4.170 -0.009 0.000 0.245 275 I C 1.414 177.497 176.117 -0.056 0.000 1.097 275 I CA 1.232 62.437 61.300 -0.159 0.000 1.363 275 I CB -0.182 37.544 38.000 -0.457 0.000 1.051 275 I HN 0.127 nan 8.210 nan 0.000 0.413 276 S N -0.542 115.125 115.700 -0.054 0.000 2.575 276 S HA 0.187 4.651 4.470 -0.009 0.000 0.237 276 S C 1.463 176.203 174.600 0.233 0.000 0.975 276 S CA -0.545 57.714 58.200 0.098 0.000 0.960 276 S CB 0.275 63.516 63.200 0.068 0.000 0.822 276 S HN 0.199 nan 8.310 nan 0.000 0.472 277 R N 1.342 121.977 120.500 0.224 0.000 2.062 277 R HA 0.270 4.604 4.340 -0.009 0.000 0.229 277 R C 0.430 176.978 176.300 0.413 0.000 1.128 277 R CA 1.194 57.470 56.100 0.293 0.000 0.960 277 R CB -0.263 30.169 30.300 0.219 0.000 0.855 277 R HN 0.402 nan 8.270 nan 0.000 0.432 278 V N 0.155 120.260 119.914 0.318 0.000 3.012 278 V HA 0.363 4.478 4.120 -0.009 0.000 0.307 278 V C -1.626 174.406 176.094 -0.105 0.000 1.166 278 V CA -1.384 61.023 62.300 0.179 0.000 0.974 278 V CB 1.794 33.655 31.823 0.064 0.000 1.040 278 V HN 0.151 nan 8.190 nan 0.000 0.428 279 L N 6.335 127.276 121.223 -0.470 0.000 2.367 279 L HA 0.487 4.822 4.340 -0.009 0.000 0.275 279 L C -0.895 175.803 176.870 -0.286 0.000 1.129 279 L CA 0.425 54.786 54.840 -0.798 0.000 0.839 279 L CB 0.561 42.087 42.059 -0.889 0.000 1.133 279 L HN 0.681 nan 8.230 nan 0.000 0.453 280 Y N 6.751 126.960 120.300 -0.152 0.000 2.496 280 Y HA 0.211 4.755 4.550 -0.009 0.000 0.334 280 Y C -1.385 174.514 175.900 -0.002 0.000 1.080 280 Y CA -1.313 56.777 58.100 -0.017 0.000 1.355 280 Y CB 0.398 38.876 38.460 0.030 0.000 1.193 280 Y HN 0.566 nan 8.280 nan 0.000 0.523 281 P HA -0.003 nan 4.420 nan 0.000 0.249 281 P C -0.862 176.570 177.300 0.221 0.000 1.593 281 P CA 0.192 63.398 63.100 0.177 0.000 0.896 281 P CB 0.064 31.952 31.700 0.314 0.000 1.581 282 N N 1.227 120.071 118.700 0.238 0.000 2.438 282 N HA 0.155 4.889 4.740 -0.009 0.000 0.282 282 N C -0.547 175.125 175.510 0.271 0.000 1.037 282 N CA 0.103 53.318 53.050 0.275 0.000 0.942 282 N CB 1.449 40.143 38.487 0.345 0.000 1.136 282 N HN 0.132 nan 8.380 nan 0.000 0.481 283 D N 1.883 122.477 120.400 0.324 0.000 2.425 283 D HA 0.138 4.772 4.640 -0.009 0.000 0.240 283 D C -0.332 176.298 176.300 0.550 0.000 1.080 283 D CA -0.188 54.046 54.000 0.390 0.000 0.836 283 D CB 0.421 41.464 40.800 0.405 0.000 1.125 283 D HN 0.385 nan 8.370 nan 0.000 0.525 284 N N 2.805 121.732 118.700 0.379 0.000 2.740 284 N HA -0.254 4.481 4.740 -0.009 0.000 0.248 284 N C -1.178 174.576 175.510 0.407 0.000 1.062 284 N CA 0.686 53.915 53.050 0.298 0.000 0.704 284 N CB -1.017 37.552 38.487 0.135 0.000 0.968 284 N HN 0.413 nan 8.380 nan 0.000 0.547 285 F N 0.724 120.790 119.950 0.194 0.000 2.605 285 F HA 0.419 4.940 4.527 -0.009 0.000 0.320 285 F C -1.150 174.736 175.800 0.143 0.000 1.159 285 F CA -1.101 56.981 58.000 0.137 0.000 0.999 285 F CB 0.876 39.922 39.000 0.077 0.000 1.258 285 F HN -0.013 nan 8.300 nan 0.000 0.464 286 F N 6.007 125.557 119.950 -0.668 0.000 2.404 286 F HA 0.472 4.993 4.527 -0.009 0.000 0.345 286 F C -0.426 174.932 175.800 -0.737 0.000 1.110 286 F CA -0.147 57.514 58.000 -0.564 0.000 1.130 286 F CB 0.787 39.500 39.000 -0.478 0.000 1.129 286 F HN 0.598 nan 8.300 nan 0.000 0.500 287 E N 4.595 124.122 120.200 -1.123 0.000 2.267 287 E HA 0.280 4.625 4.350 -0.009 0.000 0.248 287 E C -0.196 175.679 176.600 -1.207 0.000 0.899 287 E CA -0.737 55.114 56.400 -0.916 0.000 0.764 287 E CB 1.120 30.667 29.700 -0.255 0.000 1.227 287 E HN 0.929 nan 8.360 nan 0.000 0.421 288 G N 5.271 113.197 108.800 -1.457 0.000 3.003 288 G HA2 -0.005 3.949 3.960 -0.009 0.000 0.266 288 G HA3 -0.005 3.949 3.960 -0.009 0.000 0.266 288 G C -0.020 174.793 174.900 -0.144 0.000 0.755 288 G CA -0.098 44.411 45.100 -0.985 0.000 2.061 288 G HN 0.198 nan 8.290 nan 0.000 0.599 289 K N 0.534 120.925 120.400 -0.015 0.000 2.130 289 K HA 0.189 4.503 4.320 -0.009 0.000 0.268 289 K C 0.991 177.736 176.600 0.241 0.000 0.983 289 K CA -0.689 55.675 56.287 0.128 0.000 0.893 289 K CB 2.168 34.733 32.500 0.109 0.000 1.066 289 K HN 0.445 nan 8.250 nan 0.000 0.450 290 E N 1.690 122.000 120.200 0.184 0.000 2.085 290 E HA -0.217 4.128 4.350 -0.009 0.000 0.194 290 E C 1.525 178.164 176.600 0.064 0.000 0.994 290 E CA 1.067 57.531 56.400 0.106 0.000 0.801 290 E CB 0.169 29.934 29.700 0.108 0.000 0.743 290 E HN 0.397 nan 8.360 nan 0.000 0.453 291 L N 1.390 122.691 121.223 0.129 0.000 2.042 291 L HA -0.190 4.144 4.340 -0.009 0.000 0.210 291 L C 2.470 179.436 176.870 0.161 0.000 1.076 291 L CA 1.861 56.794 54.840 0.156 0.000 0.749 291 L CB -0.586 41.637 42.059 0.274 0.000 0.893 291 L HN 0.019 nan 8.230 nan 0.000 0.432 292 R N -0.567 119.978 120.500 0.074 0.000 2.081 292 R HA -0.171 4.163 4.340 -0.009 0.000 0.235 292 R C 2.127 178.463 176.300 0.059 0.000 1.131 292 R CA 1.945 58.010 56.100 -0.059 0.000 0.960 292 R CB -1.071 29.024 30.300 -0.342 0.000 0.856 292 R HN 0.419 nan 8.270 nan 0.000 0.436 293 L N 0.861 122.030 121.223 -0.090 0.000 2.083 293 L HA -0.071 4.264 4.340 -0.009 0.000 0.209 293 L C 1.717 178.527 176.870 -0.100 0.000 1.083 293 L CA 1.893 56.474 54.840 -0.432 0.000 0.752 293 L CB -0.398 41.132 42.059 -0.883 0.000 0.899 293 L HN 0.159 nan 8.230 nan 0.000 0.433 294 K N -0.977 119.420 120.400 -0.004 0.000 2.057 294 K HA -0.191 4.124 4.320 -0.009 0.000 0.207 294 K C 2.067 178.829 176.600 0.270 0.000 1.049 294 K CA 1.764 58.128 56.287 0.128 0.000 0.931 294 K CB -0.174 32.239 32.500 -0.145 0.000 0.714 294 K HN 0.522 nan 8.250 nan 0.000 0.440 295 Q N 0.645 120.569 119.800 0.207 0.000 2.084 295 Q HA -0.185 4.149 4.340 -0.009 0.000 0.202 295 Q C 1.949 178.140 176.000 0.319 0.000 0.978 295 Q CA 1.402 57.380 55.803 0.293 0.000 0.844 295 Q CB -0.047 28.887 28.738 0.327 0.000 0.898 295 Q HN 0.388 nan 8.270 nan 0.000 0.426 296 E N -0.120 120.220 120.200 0.233 0.000 2.077 296 E HA -0.212 4.133 4.350 -0.009 0.000 0.193 296 E C 1.729 178.431 176.600 0.171 0.000 0.989 296 E CA 1.055 57.573 56.400 0.198 0.000 0.800 296 E CB -0.119 29.672 29.700 0.152 0.000 0.746 296 E HN 0.324 nan 8.360 nan 0.000 0.452 297 Y N 0.293 120.629 120.300 0.060 0.000 2.263 297 Y HA -0.182 4.362 4.550 -0.009 0.000 0.292 297 Y C 1.953 177.875 175.900 0.038 0.000 1.130 297 Y CA 0.917 59.004 58.100 -0.021 0.000 1.179 297 Y CB -0.363 38.041 38.460 -0.092 0.000 0.998 297 Y HN 0.006 nan 8.280 nan 0.000 0.532 298 F N -0.230 119.701 119.950 -0.033 0.000 2.065 298 F HA -0.263 4.258 4.527 -0.009 0.000 0.298 298 F C 2.488 178.133 175.800 -0.257 0.000 1.112 298 F CA 2.054 59.992 58.000 -0.102 0.000 1.212 298 F CB -1.082 38.011 39.000 0.155 0.000 0.975 298 F HN -0.050 nan 8.300 nan 0.000 0.476 299 V N -0.492 119.381 119.914 -0.067 0.000 2.427 299 V HA -0.205 3.909 4.120 -0.009 0.000 0.248 299 V C 2.190 178.124 176.094 -0.267 0.000 1.051 299 V CA 1.958 64.181 62.300 -0.129 0.000 1.048 299 V CB -0.380 31.556 31.823 0.189 0.000 0.666 299 V HN 0.259 nan 8.190 nan 0.000 0.456 300 V N 0.395 120.156 119.914 -0.254 0.000 2.307 300 V HA -0.158 3.957 4.120 -0.009 0.000 0.245 300 V C 2.796 178.615 176.094 -0.458 0.000 1.045 300 V CA 2.050 64.183 62.300 -0.279 0.000 1.024 300 V CB -1.052 30.667 31.823 -0.173 0.000 0.651 300 V HN 0.641 nan 8.190 nan 0.000 0.449 301 A N -0.061 122.313 122.820 -0.743 0.000 1.877 301 A HA -0.101 4.213 4.320 -0.009 0.000 0.216 301 A C 2.414 179.612 177.584 -0.642 0.000 1.186 301 A CA 2.098 53.699 52.037 -0.727 0.000 0.620 301 A CB -0.838 17.529 19.000 -1.055 0.000 0.822 301 A HN 0.555 nan 8.150 nan 0.000 0.443 302 A N -1.049 121.225 122.820 -0.910 0.000 1.902 302 A HA -0.071 4.243 4.320 -0.009 0.000 0.217 302 A C 2.316 179.372 177.584 -0.880 0.000 1.181 302 A CA 2.306 53.617 52.037 -1.211 0.000 0.623 302 A CB -1.302 16.313 19.000 -2.308 0.000 0.818 302 A HN 0.431 nan 8.150 nan 0.000 0.443 303 T N 0.613 114.781 114.554 -0.644 0.000 2.708 303 T HA -0.105 4.240 4.350 -0.009 0.000 0.266 303 T C 1.813 176.226 174.700 -0.478 0.000 1.037 303 T CA 1.507 63.338 62.100 -0.448 0.000 1.146 303 T CB -0.416 68.189 68.868 -0.438 0.000 0.865 303 T HN 0.356 nan 8.240 nan 0.000 0.435 304 L N 0.740 121.734 121.223 -0.382 0.000 2.131 304 L HA -0.151 4.183 4.340 -0.009 0.000 0.210 304 L C 2.883 179.628 176.870 -0.208 0.000 1.092 304 L CA 1.348 56.020 54.840 -0.280 0.000 0.759 304 L CB -0.585 41.349 42.059 -0.208 0.000 0.903 304 L HN 0.369 nan 8.230 nan 0.000 0.435 305 Q N -0.497 119.174 119.800 -0.214 0.000 2.119 305 Q HA -0.229 4.106 4.340 -0.009 0.000 0.201 305 Q C 1.754 177.709 176.000 -0.074 0.000 0.972 305 Q CA 1.552 57.281 55.803 -0.125 0.000 0.847 305 Q CB -0.072 28.579 28.738 -0.145 0.000 0.903 305 Q HN 0.385 nan 8.270 nan 0.000 0.433 306 D N 0.610 120.953 120.400 -0.094 0.000 2.117 306 D HA -0.093 4.542 4.640 -0.009 0.000 0.198 306 D C 1.668 177.908 176.300 -0.101 0.000 0.982 306 D CA 0.841 54.834 54.000 -0.010 0.000 0.828 306 D CB -0.002 40.896 40.800 0.163 0.000 0.967 306 D HN 0.159 nan 8.370 nan 0.000 0.464 307 I N 0.158 120.566 120.570 -0.269 0.000 2.179 307 I HA -0.233 3.931 4.170 -0.009 0.000 0.242 307 I C 2.304 178.429 176.117 0.013 0.000 1.088 307 I CA 0.726 61.816 61.300 -0.349 0.000 1.357 307 I CB -0.123 37.524 38.000 -0.589 0.000 1.051 307 I HN 0.048 nan 8.210 nan 0.000 0.409 308 I N 0.232 120.865 120.570 0.105 0.000 2.252 308 I HA -0.288 3.877 4.170 -0.009 0.000 0.245 308 I C 2.795 179.075 176.117 0.271 0.000 1.102 308 I CA 1.136 62.621 61.300 0.308 0.000 1.385 308 I CB -0.448 37.687 38.000 0.225 0.000 1.064 308 I HN 0.207 nan 8.210 nan 0.000 0.414 309 R N 1.353 121.934 120.500 0.134 0.000 2.094 309 R HA -0.244 4.091 4.340 -0.009 0.000 0.239 309 R C 2.501 178.856 176.300 0.091 0.000 1.137 309 R CA 1.917 58.074 56.100 0.095 0.000 0.943 309 R CB -0.312 30.016 30.300 0.047 0.000 0.850 309 R HN 0.208 nan 8.270 nan 0.000 0.433 310 R N -0.613 119.936 120.500 0.082 0.000 2.096 310 R HA -0.176 4.159 4.340 -0.009 0.000 0.235 310 R C 2.152 178.539 176.300 0.145 0.000 1.127 310 R CA 1.727 57.878 56.100 0.085 0.000 0.968 310 R CB -0.378 29.961 30.300 0.065 0.000 0.861 310 R HN 0.313 nan 8.270 nan 0.000 0.440 311 F N 1.286 121.268 119.950 0.053 0.000 2.186 311 F HA -0.047 4.474 4.527 -0.009 0.000 0.299 311 F C 1.482 177.297 175.800 0.025 0.000 1.090 311 F CA 1.395 59.425 58.000 0.050 0.000 1.307 311 F CB 0.105 39.187 39.000 0.136 0.000 1.019 311 F HN -0.136 nan 8.300 nan 0.000 0.489 312 K N -0.577 119.795 120.400 -0.048 0.000 2.432 312 K HA 0.050 4.365 4.320 -0.009 0.000 0.196 312 K C 1.386 177.903 176.600 -0.139 0.000 1.038 312 K CA 0.845 57.025 56.287 -0.180 0.000 0.986 312 K CB -0.032 32.464 32.500 -0.006 0.000 0.782 312 K HN 0.107 nan 8.250 nan 0.000 0.485 313 S N 0.547 116.210 115.700 -0.061 0.000 2.572 313 S HA 0.131 4.596 4.470 -0.009 0.000 0.228 313 S C 0.272 174.897 174.600 0.042 0.000 0.963 313 S CA -0.303 57.902 58.200 0.008 0.000 0.939 313 S CB 0.440 63.671 63.200 0.052 0.000 0.804 313 S HN 0.109 nan 8.310 nan 0.000 0.480 325 N N 1.124 119.770 118.700 -0.090 0.000 2.573 325 N HA 0.379 5.113 4.740 -0.009 0.000 0.262 325 N C 0.274 175.850 175.510 0.111 0.000 1.029 325 N CA -0.779 52.299 53.050 0.047 0.000 0.882 325 N CB 0.552 39.078 38.487 0.066 0.000 1.204 325 N HN 0.260 nan 8.380 nan 0.000 0.519 326 F N 0.642 120.706 119.950 0.191 0.000 2.667 326 F HA -0.091 4.430 4.527 -0.009 0.000 0.295 326 F C 1.387 177.257 175.800 0.116 0.000 1.185 326 F CA 0.509 58.593 58.000 0.140 0.000 1.479 326 F CB -0.009 38.941 39.000 -0.083 0.000 1.116 326 F HN 0.421 nan 8.300 nan 0.000 0.606 327 D N 0.205 120.747 120.400 0.236 0.000 2.144 327 D HA -0.126 4.509 4.640 -0.009 0.000 0.200 327 D C 2.207 178.601 176.300 0.157 0.000 0.978 327 D CA 1.275 55.370 54.000 0.159 0.000 0.833 327 D CB -0.112 40.756 40.800 0.114 0.000 0.961 327 D HN 0.249 nan 8.370 nan 0.000 0.470 328 A N -0.683 122.257 122.820 0.199 0.000 2.251 328 A HA 0.097 4.412 4.320 -0.009 0.000 0.209 328 A C 1.549 179.248 177.584 0.192 0.000 1.187 328 A CA -0.255 51.894 52.037 0.187 0.000 0.823 328 A CB -0.781 18.336 19.000 0.195 0.000 0.846 328 A HN 0.221 nan 8.150 nan 0.000 0.486 329 F N 1.900 121.826 119.950 -0.040 0.000 2.065 329 F HA -0.139 4.383 4.527 -0.009 0.000 0.298 329 F C -0.810 174.882 175.800 -0.180 0.000 1.112 329 F CA 2.492 60.260 58.000 -0.388 0.000 1.212 329 F CB -0.622 38.171 39.000 -0.346 0.000 0.975 329 F HN 0.197 nan 8.300 nan 0.000 0.476 330 P HA -0.101 nan 4.420 nan 0.000 0.225 330 P C 0.726 177.987 177.300 -0.065 0.000 1.148 330 P CA 1.499 64.581 63.100 -0.029 0.000 0.779 330 P CB -0.051 31.658 31.700 0.016 0.000 0.780 331 D N -0.962 119.418 120.400 -0.033 0.000 2.289 331 D HA -0.019 4.616 4.640 -0.009 0.000 0.207 331 D C 1.477 177.761 176.300 -0.026 0.000 0.966 331 D CA 0.894 54.887 54.000 -0.012 0.000 0.868 331 D CB 0.133 40.947 40.800 0.024 0.000 0.943 331 D HN 0.143 nan 8.370 nan 0.000 0.514 332 K N 0.098 120.459 120.400 -0.065 0.000 2.373 332 K HA 0.215 4.529 4.320 -0.009 0.000 0.200 332 K C 0.040 176.547 176.600 -0.154 0.000 1.054 332 K CA 0.053 56.312 56.287 -0.047 0.000 1.065 332 K CB 2.252 34.828 32.500 0.127 0.000 0.886 332 K HN -0.052 nan 8.250 nan 0.000 0.546 333 V N 0.784 120.514 119.914 -0.306 0.000 2.760 333 V HA 0.680 4.794 4.120 -0.009 0.000 0.309 333 V C -1.158 174.843 176.094 -0.155 0.000 1.077 333 V CA -1.281 60.839 62.300 -0.300 0.000 0.910 333 V CB 1.948 33.305 31.823 -0.775 0.000 1.008 333 V HN 0.107 nan 8.190 nan 0.000 0.424 334 A N 5.289 128.074 122.820 -0.058 0.000 2.381 334 A HA 0.917 5.232 4.320 -0.009 0.000 0.299 334 A C -1.131 176.478 177.584 0.042 0.000 1.049 334 A CA -0.410 51.624 52.037 -0.005 0.000 0.715 334 A CB 1.085 20.026 19.000 -0.099 0.000 1.222 334 A HN 0.750 nan 8.150 nan 0.000 0.428 335 I N 1.802 122.448 120.570 0.126 0.000 2.389 335 I HA 0.337 4.501 4.170 -0.009 0.000 0.288 335 I C -0.364 175.855 176.117 0.170 0.000 0.999 335 I CA -0.607 60.783 61.300 0.149 0.000 1.129 335 I CB 2.041 40.113 38.000 0.121 0.000 1.288 335 I HN 0.690 nan 8.210 nan 0.000 0.444 336 Q N 5.894 125.797 119.800 0.171 0.000 2.314 336 Q HA 0.456 4.791 4.340 -0.009 0.000 0.259 336 Q C -1.421 174.603 176.000 0.040 0.000 0.951 336 Q CA -0.521 55.415 55.803 0.223 0.000 0.909 336 Q CB 1.316 30.305 28.738 0.419 0.000 1.236 336 Q HN 0.436 nan 8.270 nan 0.000 0.444 337 L N 4.271 125.551 121.223 0.094 0.000 2.261 337 L HA 0.320 4.654 4.340 -0.009 0.000 0.289 337 L C -0.253 176.663 176.870 0.076 0.000 1.059 337 L CA -0.139 54.747 54.840 0.077 0.000 0.816 337 L CB 0.514 42.667 42.059 0.156 0.000 1.191 337 L HN 0.589 nan 8.230 nan 0.000 0.431 338 N N 4.217 122.875 118.700 -0.069 0.000 2.508 338 N HA 0.126 4.860 4.740 -0.009 0.000 0.253 338 N C -0.096 175.439 175.510 0.042 0.000 1.145 338 N CA 0.501 53.551 53.050 0.000 0.000 0.973 338 N CB -0.123 38.247 38.487 -0.194 0.000 1.305 338 N HN 0.569 nan 8.380 nan 0.000 0.506 339 D N -0.198 120.338 120.400 0.226 0.000 4.259 339 D HA -0.219 4.415 4.640 -0.009 0.000 0.290 339 D C 0.356 176.769 176.300 0.188 0.000 2.199 339 D CA 1.487 55.601 54.000 0.190 0.000 1.194 339 D CB -0.615 39.995 40.800 -0.316 0.000 1.003 339 D HN 0.483 nan 8.370 nan 0.000 1.204 340 T N -2.489 112.108 114.554 0.072 0.000 3.129 340 T HA 0.105 4.450 4.350 -0.009 0.000 0.251 340 T C 1.670 176.458 174.700 0.148 0.000 1.117 340 T CA 1.490 63.614 62.100 0.040 0.000 1.034 340 T CB -0.507 68.349 68.868 -0.021 0.000 0.968 340 T HN 0.511 nan 8.240 nan 0.000 0.526 341 H N 2.676 121.834 119.070 0.147 0.000 2.357 341 H HA -0.029 4.521 4.556 -0.009 0.000 0.296 341 H C -0.765 174.649 175.328 0.144 0.000 1.108 341 H CA 1.202 57.352 56.048 0.169 0.000 1.273 341 H CB -0.799 29.064 29.762 0.167 0.000 1.367 341 H HN 0.450 nan 8.280 nan 0.000 0.498 342 P HA 0.089 nan 4.420 nan 0.000 0.266 342 P C 0.750 178.094 177.300 0.073 0.000 1.561 342 P CA 0.389 63.568 63.100 0.132 0.000 1.089 342 P CB 0.475 32.243 31.700 0.113 0.000 1.534 343 S N 0.072 115.810 115.700 0.063 0.000 2.419 343 S HA -0.137 4.328 4.470 -0.009 0.000 0.235 343 S C 1.795 176.397 174.600 0.003 0.000 1.019 343 S CA 0.817 59.014 58.200 -0.005 0.000 0.982 343 S CB -1.515 61.657 63.200 -0.046 0.000 0.789 343 S HN 0.152 nan 8.310 nan 0.000 0.490 344 L N 1.010 122.249 121.223 0.026 0.000 2.549 344 L HA 0.039 4.374 4.340 -0.009 0.000 0.230 344 L C 2.854 179.758 176.870 0.056 0.000 1.162 344 L CA 0.570 55.429 54.840 0.033 0.000 0.834 344 L CB -0.727 41.352 42.059 0.034 0.000 0.947 344 L HN 0.475 nan 8.230 nan 0.000 0.452 345 A N 0.447 123.280 122.820 0.022 0.000 1.972 345 A HA -0.168 4.147 4.320 -0.009 0.000 0.219 345 A C 2.182 179.762 177.584 -0.006 0.000 1.169 345 A CA 1.340 53.375 52.037 -0.003 0.000 0.635 345 A CB -0.398 18.593 19.000 -0.015 0.000 0.810 345 A HN 0.372 nan 8.150 nan 0.000 0.446 346 I N 0.319 120.888 120.570 -0.002 0.000 2.133 346 I HA -0.139 4.026 4.170 -0.009 0.000 0.238 346 I C -0.320 175.809 176.117 0.021 0.000 1.074 346 I CA 1.516 62.812 61.300 -0.006 0.000 1.342 346 I CB -0.924 37.077 38.000 0.002 0.000 1.053 346 I HN 0.253 nan 8.210 nan 0.000 0.404 347 P HA -0.156 nan 4.420 nan 0.000 0.222 347 P C 1.253 178.565 177.300 0.019 0.000 1.153 347 P CA 1.430 64.557 63.100 0.046 0.000 0.798 347 P CB 0.073 31.822 31.700 0.083 0.000 0.796 348 E N 0.426 120.705 120.200 0.132 0.000 2.072 348 E HA -0.146 4.199 4.350 -0.009 0.000 0.191 348 E C 1.939 178.518 176.600 -0.035 0.000 0.985 348 E CA 0.655 57.149 56.400 0.157 0.000 0.801 348 E CB -1.208 28.630 29.700 0.230 0.000 0.750 348 E HN 0.004 nan 8.360 nan 0.000 0.452 349 L N -0.049 121.123 121.223 -0.086 0.000 2.046 349 L HA -0.090 4.244 4.340 -0.009 0.000 0.208 349 L C 2.075 178.793 176.870 -0.252 0.000 1.077 349 L CA 1.724 56.452 54.840 -0.187 0.000 0.747 349 L CB -0.523 41.424 42.059 -0.185 0.000 0.896 349 L HN 0.229 nan 8.230 nan 0.000 0.432 350 M N -0.763 118.705 119.600 -0.220 0.000 2.117 350 M HA -0.205 4.270 4.480 -0.009 0.000 0.262 350 M C 2.437 178.564 176.300 -0.287 0.000 1.065 350 M CA 1.568 56.686 55.300 -0.304 0.000 1.114 350 M CB -1.188 31.216 32.600 -0.327 0.000 1.361 350 M HN 0.338 nan 8.290 nan 0.000 0.408 351 R N 0.095 120.451 120.500 -0.239 0.000 2.083 351 R HA -0.144 4.191 4.340 -0.009 0.000 0.237 351 R C 2.053 178.247 176.300 -0.177 0.000 1.137 351 R CA 1.816 57.780 56.100 -0.226 0.000 0.951 351 R CB -0.239 29.874 30.300 -0.311 0.000 0.851 351 R HN 0.208 nan 8.270 nan 0.000 0.434 352 V N 1.480 121.287 119.914 -0.178 0.000 2.295 352 V HA -0.262 3.853 4.120 -0.009 0.000 0.246 352 V C 2.436 178.371 176.094 -0.266 0.000 1.049 352 V CA 1.833 64.024 62.300 -0.183 0.000 1.024 352 V CB -0.444 31.264 31.823 -0.192 0.000 0.648 352 V HN 0.350 nan 8.190 nan 0.000 0.447 353 L N -0.607 120.389 121.223 -0.377 0.000 2.083 353 L HA -0.134 4.200 4.340 -0.009 0.000 0.209 353 L C 2.357 179.052 176.870 -0.292 0.000 1.083 353 L CA 1.088 55.647 54.840 -0.468 0.000 0.752 353 L CB -0.591 41.138 42.059 -0.550 0.000 0.899 353 L HN 0.214 nan 8.230 nan 0.000 0.433 354 V N -0.690 119.088 119.914 -0.226 0.000 2.300 354 V HA -0.163 3.951 4.120 -0.009 0.000 0.241 354 V C 1.967 178.022 176.094 -0.066 0.000 1.034 354 V CA 1.599 63.827 62.300 -0.121 0.000 1.021 354 V CB -0.344 31.427 31.823 -0.087 0.000 0.662 354 V HN 0.322 nan 8.190 nan 0.000 0.458 355 D N 0.141 120.498 120.400 -0.072 0.000 2.149 355 D HA -0.041 4.593 4.640 -0.009 0.000 0.201 355 D C 2.042 178.321 176.300 -0.036 0.000 0.972 355 D CA 1.261 55.237 54.000 -0.040 0.000 0.835 355 D CB 0.004 40.778 40.800 -0.043 0.000 0.966 355 D HN 0.327 nan 8.370 nan 0.000 0.476 356 L N 0.159 121.346 121.223 -0.060 0.000 2.269 356 L HA 0.099 4.434 4.340 -0.009 0.000 0.200 356 L C 1.952 178.801 176.870 -0.034 0.000 1.069 356 L CA 0.504 55.320 54.840 -0.040 0.000 0.804 356 L CB -0.076 41.958 42.059 -0.041 0.000 0.987 356 L HN -0.186 nan 8.230 nan 0.000 0.468 357 E N 0.436 120.586 120.200 -0.082 0.000 2.371 357 E HA -0.009 4.335 4.350 -0.009 0.000 0.194 357 E C 0.167 176.756 176.600 -0.019 0.000 1.012 357 E CA 0.029 56.402 56.400 -0.046 0.000 0.860 357 E CB 0.242 29.834 29.700 -0.180 0.000 0.811 357 E HN 0.193 nan 8.360 nan 0.000 0.502 358 R N -0.456 120.020 120.500 -0.040 0.000 3.656 358 R HA -0.181 4.153 4.340 -0.009 0.000 0.297 358 R C -0.364 175.934 176.300 -0.004 0.000 1.166 358 R CA 0.228 56.323 56.100 -0.009 0.000 0.799 358 R CB -2.831 27.479 30.300 0.018 0.000 1.285 358 R HN 0.080 nan 8.270 nan 0.000 0.477 359 L N 2.038 123.234 121.223 -0.045 0.000 2.453 359 L HA 0.175 4.509 4.340 -0.009 0.000 0.261 359 L C 1.466 178.338 176.870 0.002 0.000 1.179 359 L CA 0.156 54.981 54.840 -0.026 0.000 0.813 359 L CB 0.368 42.374 42.059 -0.089 0.000 1.110 359 L HN 0.136 nan 8.230 nan 0.000 0.466 360 D N 0.321 120.744 120.400 0.039 0.000 2.362 360 D HA -0.128 4.507 4.640 -0.009 0.000 0.242 360 D C 0.944 177.314 176.300 0.117 0.000 1.132 360 D CA -0.532 53.523 54.000 0.092 0.000 0.907 360 D CB 0.744 41.603 40.800 0.098 0.000 1.195 360 D HN 0.600 nan 8.370 nan 0.000 0.429 361 W N 2.173 123.477 121.300 0.007 0.000 2.301 361 W HA -0.257 4.398 4.660 -0.009 0.000 0.325 361 W C 1.122 177.684 176.519 0.071 0.000 1.250 361 W CA 2.057 59.411 57.345 0.016 0.000 1.261 361 W CB -0.378 29.072 29.460 -0.018 0.000 1.157 361 W HN 0.470 nan 8.180 nan 0.000 0.473 362 D N 0.289 120.904 120.400 0.359 0.000 2.133 362 D HA -0.229 4.406 4.640 -0.009 0.000 0.195 362 D C 1.861 178.266 176.300 0.175 0.000 0.997 362 D CA 2.170 56.346 54.000 0.293 0.000 0.840 362 D CB -0.459 40.479 40.800 0.230 0.000 0.947 362 D HN 0.108 nan 8.370 nan 0.000 0.452 363 K N 1.111 121.572 120.400 0.100 0.000 2.057 363 K HA -0.002 4.313 4.320 -0.009 0.000 0.206 363 K C 1.867 178.460 176.600 -0.012 0.000 1.050 363 K CA 1.441 57.759 56.287 0.052 0.000 0.935 363 K CB -0.526 32.000 32.500 0.044 0.000 0.715 363 K HN 0.012 nan 8.250 nan 0.000 0.439 364 A N 0.531 123.300 122.820 -0.084 0.000 1.902 364 A HA -0.184 4.131 4.320 -0.009 0.000 0.217 364 A C 2.250 179.737 177.584 -0.161 0.000 1.181 364 A CA 1.479 53.395 52.037 -0.202 0.000 0.623 364 A CB -1.216 17.593 19.000 -0.319 0.000 0.818 364 A HN 0.696 nan 8.150 nan 0.000 0.443 365 W N 0.652 121.744 121.300 -0.348 0.000 2.358 365 W HA -0.172 4.483 4.660 -0.009 0.000 0.303 365 W C 2.002 178.461 176.519 -0.099 0.000 1.208 365 W CA 1.823 59.017 57.345 -0.253 0.000 1.274 365 W CB -0.090 29.273 29.460 -0.162 0.000 1.138 365 W HN 0.606 nan 8.180 nan 0.000 0.515 366 E N 0.090 120.281 120.200 -0.015 0.000 2.058 366 E HA -0.227 4.117 4.350 -0.009 0.000 0.194 366 E C 2.049 178.569 176.600 -0.133 0.000 0.997 366 E CA 1.941 58.296 56.400 -0.075 0.000 0.801 366 E CB -0.326 29.389 29.700 0.024 0.000 0.746 366 E HN 0.063 nan 8.360 nan 0.000 0.450 367 V N 0.756 120.607 119.914 -0.106 0.000 2.295 367 V HA -0.271 3.844 4.120 -0.009 0.000 0.246 367 V C 2.433 178.453 176.094 -0.124 0.000 1.049 367 V CA 2.225 64.476 62.300 -0.081 0.000 1.024 367 V CB -0.839 30.920 31.823 -0.105 0.000 0.648 367 V HN 0.382 nan 8.190 nan 0.000 0.447 368 T N 0.125 114.535 114.554 -0.239 0.000 2.652 368 T HA -0.201 4.144 4.350 -0.009 0.000 0.267 368 T C 1.936 176.460 174.700 -0.294 0.000 1.039 368 T CA 1.877 63.814 62.100 -0.272 0.000 1.153 368 T CB -0.344 68.311 68.868 -0.355 0.000 0.863 368 T HN 0.277 nan 8.240 nan 0.000 0.428 369 V N 1.458 121.078 119.914 -0.490 0.000 2.343 369 V HA -0.182 3.933 4.120 -0.009 0.000 0.247 369 V C 2.335 178.380 176.094 -0.082 0.000 1.051 369 V CA 1.643 63.711 62.300 -0.388 0.000 1.036 369 V CB -0.515 30.991 31.823 -0.529 0.000 0.654 369 V HN 0.495 nan 8.190 nan 0.000 0.451 370 K N -0.505 119.833 120.400 -0.104 0.000 2.365 370 K HA -0.071 4.243 4.320 -0.009 0.000 0.199 370 K C 2.049 178.621 176.600 -0.047 0.000 1.045 370 K CA 1.467 57.678 56.287 -0.125 0.000 0.962 370 K CB -0.180 32.248 32.500 -0.120 0.000 0.759 370 K HN 0.461 nan 8.250 nan 0.000 0.469 371 T N 0.187 114.776 114.554 0.058 0.000 3.031 371 T HA 0.036 4.380 4.350 -0.009 0.000 0.254 371 T C 0.869 175.682 174.700 0.188 0.000 1.060 371 T CA 0.317 62.492 62.100 0.125 0.000 1.135 371 T CB 0.128 69.112 68.868 0.192 0.000 0.896 371 T HN 0.161 nan 8.240 nan 0.000 0.472 372 C N 2.478 121.870 119.300 0.153 0.000 2.401 372 C HA 0.877 5.332 4.460 -0.009 0.000 0.365 372 C C 0.558 175.607 174.990 0.097 0.000 1.250 372 C CA -1.207 57.881 59.018 0.118 0.000 2.131 372 C CB 0.071 27.818 27.740 0.012 0.000 2.445 372 C HN 0.575 nan 8.230 nan 0.000 0.550 373 A N 2.292 125.165 122.820 0.087 0.000 2.449 373 A HA 0.740 5.055 4.320 -0.009 0.000 0.302 373 A C -1.493 176.166 177.584 0.125 0.000 1.048 373 A CA -0.409 51.625 52.037 -0.005 0.000 0.708 373 A CB 0.978 20.002 19.000 0.039 0.000 1.274 373 A HN 0.939 nan 8.150 nan 0.000 0.410 374 Y N 1.247 121.500 120.300 -0.078 0.000 2.409 374 Y HA 0.658 5.203 4.550 -0.009 0.000 0.343 374 Y C -0.487 175.402 175.900 -0.018 0.000 0.973 374 Y CA -0.318 57.753 58.100 -0.047 0.000 1.064 374 Y CB 2.062 40.455 38.460 -0.112 0.000 1.207 374 Y HN 0.560 nan 8.280 nan 0.000 0.452 375 T N 6.546 120.875 114.554 -0.374 0.000 2.770 375 T HA 0.191 4.535 4.350 -0.009 0.000 0.283 375 T C -0.841 173.370 174.700 -0.814 0.000 0.988 375 T CA -0.826 60.982 62.100 -0.488 0.000 0.957 375 T CB 0.454 69.271 68.868 -0.084 0.000 0.930 375 T HN 0.656 nan 8.240 nan 0.000 0.443 376 N N 1.810 120.035 118.700 -0.791 0.000 2.479 376 N HA 0.136 4.871 4.740 -0.009 0.000 0.285 376 N C -0.029 175.353 175.510 -0.213 0.000 1.075 376 N CA -0.314 52.523 53.050 -0.355 0.000 0.967 376 N CB 0.779 39.245 38.487 -0.035 0.000 1.137 376 N HN 0.676 nan 8.380 nan 0.000 0.472 377 H N 0.995 120.097 119.070 0.054 0.000 2.923 377 H HA 0.177 4.728 4.556 -0.009 0.000 0.268 377 H C -0.242 175.002 175.328 -0.140 0.000 1.148 377 H CA -0.064 55.962 56.048 -0.036 0.000 1.146 377 H CB 1.082 30.828 29.762 -0.026 0.000 1.607 377 H HN 0.553 nan 8.280 nan 0.000 0.566 378 T N 0.137 114.714 114.554 0.038 0.000 2.831 378 T HA 0.202 4.547 4.350 -0.009 0.000 0.333 378 T C 0.229 174.952 174.700 0.037 0.000 1.684 378 T CA -0.295 61.777 62.100 -0.047 0.000 1.049 378 T CB 1.149 69.988 68.868 -0.048 0.000 1.518 378 T HN -0.046 nan 8.240 nan 0.000 0.491 379 V N 1.698 121.596 119.914 -0.027 0.000 3.477 379 V HA 0.505 4.619 4.120 -0.009 0.000 0.297 379 V C 0.924 176.981 176.094 -0.062 0.000 1.433 379 V CA 0.058 62.331 62.300 -0.044 0.000 1.052 379 V CB -0.670 31.125 31.823 -0.046 0.000 0.895 379 V HN 0.815 nan 8.190 nan 0.000 0.438 380 I N -0.099 120.422 120.570 -0.082 0.000 2.598 380 I HA 0.290 4.455 4.170 -0.009 0.000 0.284 380 I C -0.581 175.531 176.117 -0.008 0.000 1.140 380 I CA -1.500 59.773 61.300 -0.046 0.000 1.420 380 I CB 0.529 38.481 38.000 -0.079 0.000 1.387 380 I HN -0.023 nan 8.210 nan 0.000 0.553 381 P HA -0.256 nan 4.420 nan 0.000 0.216 381 P C 1.096 178.402 177.300 0.009 0.000 1.153 381 P CA 1.672 64.774 63.100 0.003 0.000 0.858 381 P CB -0.088 31.618 31.700 0.010 0.000 0.789 382 E N 0.273 120.506 120.200 0.055 0.000 2.409 382 E HA -0.066 4.278 4.350 -0.009 0.000 0.198 382 E C 1.650 178.244 176.600 -0.010 0.000 1.024 382 E CA 1.168 57.599 56.400 0.051 0.000 0.861 382 E CB -0.709 29.126 29.700 0.225 0.000 0.788 382 E HN 0.239 nan 8.360 nan 0.000 0.521 383 A N 1.038 123.878 122.820 0.033 0.000 2.169 383 A HA 0.199 4.514 4.320 -0.009 0.000 0.210 383 A C 1.164 178.743 177.584 -0.008 0.000 1.168 383 A CA -0.311 51.757 52.037 0.052 0.000 0.813 383 A CB 0.147 19.197 19.000 0.084 0.000 0.861 383 A HN 0.119 nan 8.150 nan 0.000 0.481 384 L N 1.914 123.092 121.223 -0.075 0.000 2.455 384 L HA 0.117 4.452 4.340 -0.009 0.000 0.272 384 L C -0.021 176.546 176.870 -0.506 0.000 1.174 384 L CA 0.526 55.262 54.840 -0.173 0.000 0.869 384 L CB 0.175 42.162 42.059 -0.120 0.000 1.130 384 L HN 0.419 nan 8.230 nan 0.000 0.474 385 E N 4.906 124.704 120.200 -0.669 0.000 2.180 385 E HA 0.204 4.549 4.350 -0.009 0.000 0.283 385 E C -0.416 175.571 176.600 -1.021 0.000 1.061 385 E CA -0.179 55.377 56.400 -1.407 0.000 0.861 385 E CB 0.706 29.910 29.700 -0.826 0.000 1.056 385 E HN 0.359 nan 8.360 nan 0.000 0.407 386 R N 3.835 123.612 120.500 -1.205 0.000 2.472 386 R HA 0.187 4.521 4.340 -0.009 0.000 0.294 386 R C -1.242 174.872 176.300 -0.310 0.000 1.243 386 R CA -0.574 55.234 56.100 -0.487 0.000 1.023 386 R CB 0.837 30.984 30.300 -0.256 0.000 1.157 386 R HN 0.450 nan 8.270 nan 0.000 0.530 387 W N 4.275 125.521 121.300 -0.089 0.000 2.287 387 W HA 0.273 4.928 4.660 -0.009 0.000 0.313 387 W C -1.939 174.547 176.519 -0.054 0.000 1.267 387 W CA -2.093 55.258 57.345 0.009 0.000 1.201 387 W CB 0.734 30.178 29.460 -0.028 0.000 1.196 387 W HN 0.235 nan 8.180 nan 0.000 0.536 388 P HA -0.075 nan 4.420 nan 0.000 0.267 388 P C 0.794 178.017 177.300 -0.129 0.000 1.205 388 P CA 0.178 63.240 63.100 -0.065 0.000 0.765 388 P CB 0.799 32.318 31.700 -0.301 0.000 0.828 389 V N 3.361 123.249 119.914 -0.043 0.000 2.392 389 V HA -0.293 3.822 4.120 -0.009 0.000 0.249 389 V C 2.121 178.212 176.094 -0.006 0.000 1.059 389 V CA 2.542 64.841 62.300 -0.003 0.000 1.051 389 V CB -1.745 30.138 31.823 0.101 0.000 0.658 389 V HN 0.761 nan 8.190 nan 0.000 0.455 390 H N -0.880 118.249 119.070 0.098 0.000 2.456 390 H HA -0.106 4.445 4.556 -0.009 0.000 0.296 390 H C 1.973 177.353 175.328 0.086 0.000 1.079 390 H CA 1.700 57.801 56.048 0.090 0.000 1.322 390 H CB -0.572 29.243 29.762 0.089 0.000 1.388 390 H HN 0.378 nan 8.280 nan 0.000 0.538 391 L N -0.185 120.916 121.223 -0.204 0.000 2.068 391 L HA -0.037 4.298 4.340 -0.009 0.000 0.204 391 L C 2.326 179.170 176.870 -0.045 0.000 1.076 391 L CA 0.839 55.660 54.840 -0.033 0.000 0.753 391 L CB -0.178 41.846 42.059 -0.059 0.000 0.910 391 L HN 0.314 nan 8.230 nan 0.000 0.439 392 L N -0.497 120.667 121.223 -0.099 0.000 2.141 392 L HA -0.230 4.104 4.340 -0.009 0.000 0.209 392 L C 2.485 179.300 176.870 -0.092 0.000 1.094 392 L CA 1.132 55.883 54.840 -0.148 0.000 0.763 392 L CB -0.451 41.507 42.059 -0.169 0.000 0.908 392 L HN 0.353 nan 8.230 nan 0.000 0.437 393 E N -0.244 119.944 120.200 -0.019 0.000 2.110 393 E HA -0.209 4.136 4.350 -0.009 0.000 0.193 393 E C 1.825 178.467 176.600 0.070 0.000 0.988 393 E CA 1.819 58.239 56.400 0.033 0.000 0.804 393 E CB 0.158 29.915 29.700 0.095 0.000 0.745 393 E HN 0.406 nan 8.360 nan 0.000 0.458 394 T N 0.598 115.218 114.554 0.110 0.000 2.976 394 T HA -0.031 4.314 4.350 -0.009 0.000 0.257 394 T C 1.639 176.465 174.700 0.210 0.000 1.051 394 T CA 0.523 62.739 62.100 0.192 0.000 1.141 394 T CB -0.033 68.981 68.868 0.243 0.000 0.881 394 T HN 0.075 nan 8.240 nan 0.000 0.461 395 L N 0.177 121.426 121.223 0.043 0.000 2.127 395 L HA 0.377 4.711 4.340 -0.009 0.000 0.203 395 L C 0.329 177.135 176.870 -0.106 0.000 1.080 395 L CA 1.575 56.325 54.840 -0.150 0.000 0.768 395 L CB 0.065 42.001 42.059 -0.205 0.000 0.924 395 L HN 0.154 nan 8.230 nan 0.000 0.444 396 L N 0.978 122.097 121.223 -0.172 0.000 2.551 396 L HA 0.296 4.630 4.340 -0.009 0.000 0.248 396 L C -1.647 175.043 176.870 -0.300 0.000 1.509 396 L CA -0.981 53.666 54.840 -0.322 0.000 0.842 396 L CB 0.927 42.635 42.059 -0.584 0.000 1.087 396 L HN -0.047 nan 8.230 nan 0.000 0.512 397 P HA -0.235 nan 4.420 nan 0.000 0.216 397 P C 1.452 178.565 177.300 -0.311 0.000 1.153 397 P CA 1.327 64.311 63.100 -0.193 0.000 0.858 397 P CB 0.409 32.066 31.700 -0.071 0.000 0.789 398 R N -0.363 119.769 120.500 -0.614 0.000 2.075 398 R HA -0.134 4.201 4.340 -0.009 0.000 0.232 398 R C 2.393 178.397 176.300 -0.492 0.000 1.126 398 R CA 1.581 57.327 56.100 -0.590 0.000 0.963 398 R CB -1.492 28.277 30.300 -0.885 0.000 0.858 398 R HN 0.235 nan 8.270 nan 0.000 0.435 399 H N -0.272 118.483 119.070 -0.524 0.000 2.421 399 H HA -0.052 4.498 4.556 -0.009 0.000 0.298 399 H C 1.763 176.921 175.328 -0.283 0.000 1.087 399 H CA 1.596 57.423 56.048 -0.367 0.000 1.330 399 H CB -0.082 29.427 29.762 -0.421 0.000 1.388 399 H HN 0.106 nan 8.280 nan 0.000 0.526 400 L N 0.485 121.591 121.223 -0.194 0.000 2.056 400 L HA -0.226 4.108 4.340 -0.009 0.000 0.207 400 L C 1.795 178.497 176.870 -0.280 0.000 1.078 400 L CA 1.545 56.212 54.840 -0.290 0.000 0.749 400 L CB -0.256 41.654 42.059 -0.248 0.000 0.901 400 L HN 0.443 nan 8.230 nan 0.000 0.433 401 Q N -0.239 119.499 119.800 -0.103 0.000 2.084 401 Q HA -0.232 4.103 4.340 -0.009 0.000 0.202 401 Q C 2.172 178.200 176.000 0.048 0.000 0.978 401 Q CA 1.632 57.464 55.803 0.049 0.000 0.844 401 Q CB -0.102 28.663 28.738 0.044 0.000 0.898 401 Q HN 0.561 nan 8.270 nan 0.000 0.426 402 I N 0.534 121.104 120.570 0.001 0.000 2.286 402 I HA -0.266 3.898 4.170 -0.009 0.000 0.248 402 I C 2.190 178.379 176.117 0.119 0.000 1.115 402 I CA 1.029 62.404 61.300 0.125 0.000 1.392 402 I CB -0.173 37.845 38.000 0.030 0.000 1.065 402 I HN 0.201 nan 8.210 nan 0.000 0.418 403 I N -0.430 120.129 120.570 -0.018 0.000 2.286 403 I HA -0.311 3.854 4.170 -0.009 0.000 0.248 403 I C 2.395 178.518 176.117 0.010 0.000 1.115 403 I CA 1.432 62.706 61.300 -0.043 0.000 1.392 403 I CB -0.354 37.547 38.000 -0.164 0.000 1.065 403 I HN 0.165 nan 8.210 nan 0.000 0.418 404 Y N 0.830 121.134 120.300 0.007 0.000 2.200 404 Y HA -0.255 4.290 4.550 -0.009 0.000 0.290 404 Y C 2.586 178.453 175.900 -0.056 0.000 1.137 404 Y CA 1.465 59.557 58.100 -0.015 0.000 1.163 404 Y CB -0.710 37.734 38.460 -0.026 0.000 0.988 404 Y HN 0.186 nan 8.280 nan 0.000 0.518 405 E N 0.453 120.694 120.200 0.068 0.000 2.072 405 E HA -0.142 4.202 4.350 -0.009 0.000 0.191 405 E C 2.027 178.542 176.600 -0.142 0.000 0.985 405 E CA 1.307 57.607 56.400 -0.168 0.000 0.801 405 E CB -0.536 28.901 29.700 -0.439 0.000 0.750 405 E HN 0.476 nan 8.360 nan 0.000 0.452 406 I N 0.608 121.193 120.570 0.025 0.000 2.179 406 I HA -0.273 3.892 4.170 -0.009 0.000 0.242 406 I C 2.283 178.403 176.117 0.005 0.000 1.088 406 I CA 1.392 62.664 61.300 -0.046 0.000 1.357 406 I CB -0.418 37.563 38.000 -0.032 0.000 1.051 406 I HN 0.216 nan 8.210 nan 0.000 0.409 407 N N 0.772 119.523 118.700 0.085 0.000 2.104 407 N HA -0.267 4.468 4.740 -0.009 0.000 0.190 407 N C 1.864 177.462 175.510 0.147 0.000 1.024 407 N CA 1.559 54.712 53.050 0.171 0.000 0.853 407 N CB -0.122 38.482 38.487 0.195 0.000 1.008 407 N HN 0.284 nan 8.380 nan 0.000 0.424 408 Q N -0.052 119.779 119.800 0.052 0.000 2.030 408 Q HA -0.127 4.208 4.340 -0.009 0.000 0.204 408 Q C 2.044 178.027 176.000 -0.029 0.000 0.986 408 Q CA 1.632 57.427 55.803 -0.013 0.000 0.843 408 Q CB 0.002 28.688 28.738 -0.086 0.000 0.904 408 Q HN 0.393 nan 8.270 nan 0.000 0.420 409 R N -0.744 119.715 120.500 -0.069 0.000 2.092 409 R HA -0.126 4.208 4.340 -0.009 0.000 0.231 409 R C 2.194 178.519 176.300 0.041 0.000 1.119 409 R CA 1.193 57.252 56.100 -0.069 0.000 0.970 409 R CB -0.399 29.805 30.300 -0.160 0.000 0.864 409 R HN 0.279 nan 8.270 nan 0.000 0.440 410 F N 1.755 121.679 119.950 -0.045 0.000 2.102 410 F HA -0.116 4.406 4.527 -0.009 0.000 0.298 410 F C 1.903 177.726 175.800 0.039 0.000 1.105 410 F CA 1.355 59.377 58.000 0.038 0.000 1.239 410 F CB -0.287 38.767 39.000 0.090 0.000 0.991 410 F HN -0.127 nan 8.300 nan 0.000 0.474 411 L N 0.049 121.268 121.223 -0.006 0.000 2.131 411 L HA -0.249 4.086 4.340 -0.009 0.000 0.210 411 L C 2.040 178.836 176.870 -0.124 0.000 1.092 411 L CA 1.617 56.389 54.840 -0.113 0.000 0.759 411 L CB -0.922 41.143 42.059 0.008 0.000 0.903 411 L HN 0.270 nan 8.230 nan 0.000 0.435 412 N N -0.228 118.422 118.700 -0.082 0.000 2.166 412 N HA -0.169 4.566 4.740 -0.009 0.000 0.186 412 N C 1.946 177.400 175.510 -0.093 0.000 1.019 412 N CA 0.729 53.734 53.050 -0.074 0.000 0.856 412 N CB 0.013 38.463 38.487 -0.060 0.000 0.993 412 N HN 0.269 nan 8.380 nan 0.000 0.426 413 R N 0.495 120.921 120.500 -0.123 0.000 2.075 413 R HA -0.029 4.305 4.340 -0.009 0.000 0.232 413 R C 2.156 178.352 176.300 -0.172 0.000 1.126 413 R CA 0.741 56.765 56.100 -0.127 0.000 0.963 413 R CB -0.133 30.105 30.300 -0.102 0.000 0.858 413 R HN 0.055 nan 8.270 nan 0.000 0.435 414 V N 0.692 120.450 119.914 -0.260 0.000 2.307 414 V HA -0.229 3.886 4.120 -0.009 0.000 0.245 414 V C 2.367 178.450 176.094 -0.018 0.000 1.045 414 V CA 1.960 64.171 62.300 -0.149 0.000 1.024 414 V CB -0.708 30.957 31.823 -0.263 0.000 0.651 414 V HN 0.420 nan 8.190 nan 0.000 0.449 415 A N 0.067 122.852 122.820 -0.058 0.000 1.940 415 A HA -0.154 4.161 4.320 -0.009 0.000 0.219 415 A C 2.381 179.939 177.584 -0.043 0.000 1.176 415 A CA 2.205 54.226 52.037 -0.027 0.000 0.631 415 A CB -0.721 18.255 19.000 -0.041 0.000 0.814 415 A HN 0.591 nan 8.150 nan 0.000 0.446 416 A N -0.642 122.131 122.820 -0.077 0.000 1.968 416 A HA 0.293 4.607 4.320 -0.009 0.000 0.217 416 A C 2.365 179.854 177.584 -0.158 0.000 1.169 416 A CA 1.731 53.711 52.037 -0.095 0.000 0.638 416 A CB -0.658 18.291 19.000 -0.085 0.000 0.812 416 A HN 0.983 nan 8.150 nan 0.000 0.446 417 A N -1.719 120.956 122.820 -0.242 0.000 2.021 417 A HA 0.391 4.705 4.320 -0.009 0.000 0.216 417 A C 0.437 177.551 177.584 -0.784 0.000 1.163 417 A CA 0.497 52.214 52.037 -0.535 0.000 0.676 417 A CB -0.128 18.460 19.000 -0.687 0.000 0.818 417 A HN 0.412 nan 8.150 nan 0.000 0.453 418 F N -0.113 119.790 119.950 -0.078 0.000 2.584 418 F HA 0.344 4.865 4.527 -0.009 0.000 0.328 418 F C -2.778 172.985 175.800 -0.062 0.000 1.407 418 F CA -2.931 55.028 58.000 -0.069 0.000 1.145 418 F CB 0.607 39.558 39.000 -0.082 0.000 1.440 418 F HN -0.076 nan 8.300 nan 0.000 0.580 419 P HA 0.145 nan 4.420 nan 0.000 0.262 419 P C 1.039 178.359 177.300 0.034 0.000 1.182 419 P CA 1.311 64.422 63.100 0.019 0.000 0.761 419 P CB 0.739 32.432 31.700 -0.011 0.000 0.795 420 G N 2.835 111.647 108.800 0.020 0.000 2.267 420 G HA2 -0.262 3.693 3.960 -0.009 0.000 0.257 420 G HA3 -0.262 3.693 3.960 -0.009 0.000 0.257 420 G C 0.458 175.367 174.900 0.015 0.000 0.998 420 G CA 0.084 45.192 45.100 0.014 0.000 0.620 420 G HN 0.597 nan 8.290 nan 0.000 0.529 421 D N 1.627 122.044 120.400 0.030 0.000 2.545 421 D HA 0.341 4.976 4.640 -0.009 0.000 0.227 421 D C 2.155 178.445 176.300 -0.017 0.000 1.150 421 D CA 0.507 54.508 54.000 0.002 0.000 1.046 421 D CB 0.264 41.062 40.800 -0.003 0.000 1.098 421 D HN 0.654 nan 8.370 nan 0.000 0.502 422 V N 0.544 120.450 119.914 -0.014 0.000 2.515 422 V HA -0.155 3.959 4.120 -0.009 0.000 0.250 422 V C 1.790 177.872 176.094 -0.020 0.000 1.058 422 V CA 1.578 63.869 62.300 -0.015 0.000 1.064 422 V CB -0.408 31.410 31.823 -0.009 0.000 0.675 422 V HN 0.202 nan 8.190 nan 0.000 0.461 423 D N 0.511 120.895 120.400 -0.027 0.000 2.149 423 D HA -0.171 4.463 4.640 -0.009 0.000 0.201 423 D C 2.331 178.604 176.300 -0.045 0.000 0.972 423 D CA 1.386 55.370 54.000 -0.026 0.000 0.835 423 D CB -0.236 40.549 40.800 -0.026 0.000 0.966 423 D HN 0.461 nan 8.370 nan 0.000 0.476 424 R N -0.067 120.383 120.500 -0.084 0.000 2.091 424 R HA -0.109 4.226 4.340 -0.009 0.000 0.238 424 R C 2.304 178.538 176.300 -0.109 0.000 1.136 424 R CA 0.976 56.990 56.100 -0.142 0.000 0.959 424 R CB -0.322 29.833 30.300 -0.242 0.000 0.856 424 R HN 0.256 nan 8.270 nan 0.000 0.437 425 L N 0.682 121.863 121.223 -0.069 0.000 1.990 425 L HA -0.241 4.094 4.340 -0.009 0.000 0.213 425 L C 2.738 179.612 176.870 0.006 0.000 1.072 425 L CA 2.037 56.854 54.840 -0.039 0.000 0.755 425 L CB -0.562 41.484 42.059 -0.021 0.000 0.889 425 L HN 0.303 nan 8.230 nan 0.000 0.432 426 R N 0.195 120.705 120.500 0.016 0.000 2.115 426 R HA -0.118 4.217 4.340 -0.009 0.000 0.230 426 R C 2.117 178.468 176.300 0.085 0.000 1.111 426 R CA 1.139 57.270 56.100 0.052 0.000 0.976 426 R CB -0.607 29.717 30.300 0.040 0.000 0.870 426 R HN 0.219 nan 8.270 nan 0.000 0.445 427 R N 0.078 120.610 120.500 0.054 0.000 2.090 427 R HA 0.112 4.447 4.340 -0.009 0.000 0.228 427 R C 2.071 178.460 176.300 0.148 0.000 1.110 427 R CA 1.777 57.934 56.100 0.095 0.000 0.973 427 R CB -0.211 30.108 30.300 0.030 0.000 0.869 427 R HN 0.334 nan 8.270 nan 0.000 0.440 428 M N 0.190 119.801 119.600 0.018 0.000 2.541 428 M HA 0.039 4.513 4.480 -0.009 0.000 0.252 428 M C 0.913 177.379 176.300 0.276 0.000 1.125 428 M CA 0.032 55.301 55.300 -0.052 0.000 1.091 428 M CB 0.359 32.766 32.600 -0.322 0.000 1.420 428 M HN -0.078 nan 8.290 nan 0.000 0.486 429 S N 1.065 116.931 115.700 0.276 0.000 2.558 429 S HA 0.034 4.499 4.470 -0.009 0.000 0.287 429 S C 1.102 175.961 174.600 0.431 0.000 1.321 429 S CA -0.175 58.215 58.200 0.317 0.000 1.048 429 S CB 0.564 63.891 63.200 0.212 0.000 0.844 429 S HN 0.371 nan 8.310 nan 0.000 0.512 430 L N 3.882 125.307 121.223 0.338 0.000 2.395 430 L HA 0.128 4.462 4.340 -0.009 0.000 0.218 430 L C 0.186 177.157 176.870 0.169 0.000 1.130 430 L CA 0.234 55.229 54.840 0.258 0.000 0.826 430 L CB -0.278 41.873 42.059 0.154 0.000 0.941 430 L HN 0.394 nan 8.230 nan 0.000 0.451 431 V N 0.774 120.802 119.914 0.191 0.000 2.370 431 V HA 0.187 4.301 4.120 -0.009 0.000 0.279 431 V C 0.041 176.219 176.094 0.140 0.000 1.029 431 V CA -0.619 61.780 62.300 0.165 0.000 0.870 431 V CB 1.468 33.427 31.823 0.227 0.000 0.984 431 V HN 0.162 nan 8.190 nan 0.000 0.451 432 E N 3.843 124.103 120.200 0.101 0.000 2.174 432 E HA 0.369 4.714 4.350 -0.009 0.000 0.282 432 E C -0.632 176.016 176.600 0.081 0.000 0.992 432 E CA -0.609 55.841 56.400 0.084 0.000 0.803 432 E CB 1.618 31.347 29.700 0.048 0.000 1.090 432 E HN 0.588 nan 8.360 nan 0.000 0.396 433 E N 1.261 121.507 120.200 0.075 0.000 2.283 433 E HA 0.583 4.928 4.350 -0.009 0.000 0.271 433 E C 0.245 176.879 176.600 0.057 0.000 1.031 433 E CA -0.382 56.058 56.400 0.066 0.000 0.868 433 E CB 1.931 31.665 29.700 0.058 0.000 1.094 433 E HN 0.769 nan 8.360 nan 0.000 0.401 434 G N -0.029 108.804 108.800 0.055 0.000 2.398 434 G HA2 0.206 4.160 3.960 -0.009 0.000 0.251 434 G HA3 0.206 4.160 3.960 -0.009 0.000 0.251 434 G C 0.446 175.377 174.900 0.052 0.000 1.277 434 G CA 0.115 45.244 45.100 0.048 0.000 0.927 434 G HN 0.441 nan 8.290 nan 0.000 0.477 435 A N -0.916 121.934 122.820 0.049 0.000 1.870 435 A HA 0.269 4.584 4.320 -0.009 0.000 0.219 435 A C 1.630 179.255 177.584 0.069 0.000 1.224 435 A CA 3.997 56.065 52.037 0.052 0.000 0.650 435 A CB -1.237 17.793 19.000 0.049 0.000 0.836 435 A HN 2.323 nan 8.150 nan 0.000 0.454 436 V N -3.507 116.457 119.914 0.084 0.000 2.656 436 V HA 0.561 4.676 4.120 -0.009 0.000 0.307 436 V C -0.610 175.548 176.094 0.106 0.000 1.051 436 V CA -1.420 60.951 62.300 0.118 0.000 0.893 436 V CB 1.614 33.536 31.823 0.165 0.000 0.999 436 V HN 0.342 nan 8.190 nan 0.000 0.426 437 K N 3.826 124.297 120.400 0.117 0.000 2.382 437 K HA 0.507 4.822 4.320 -0.009 0.000 0.275 437 K C -0.378 176.277 176.600 0.093 0.000 1.009 437 K CA -0.185 56.166 56.287 0.107 0.000 0.970 437 K CB 0.826 33.404 32.500 0.130 0.000 0.934 437 K HN 0.739 nan 8.250 nan 0.000 0.479 438 R N 1.265 121.810 120.500 0.075 0.000 2.836 438 R HA 0.484 4.818 4.340 -0.009 0.000 0.269 438 R C -0.742 175.584 176.300 0.043 0.000 1.010 438 R CA -1.017 55.114 56.100 0.052 0.000 0.930 438 R CB 1.293 31.608 30.300 0.024 0.000 1.218 438 R HN 0.365 nan 8.270 nan 0.000 0.473 439 I N 1.833 122.422 120.570 0.032 0.000 2.354 439 I HA 0.177 4.341 4.170 -0.009 0.000 0.292 439 I C -0.267 175.824 176.117 -0.044 0.000 0.989 439 I CA -0.775 60.532 61.300 0.011 0.000 1.188 439 I CB 1.293 39.299 38.000 0.010 0.000 1.342 439 I HN 0.510 nan 8.210 nan 0.000 0.457 440 N N 7.091 125.736 118.700 -0.093 0.000 2.402 440 N HA 0.091 4.825 4.740 -0.009 0.000 0.252 440 N C 0.830 176.232 175.510 -0.181 0.000 1.118 440 N CA -0.332 52.581 53.050 -0.228 0.000 0.945 440 N CB 0.944 39.135 38.487 -0.494 0.000 1.147 440 N HN 0.374 nan 8.380 nan 0.000 0.495 441 M N 2.441 121.942 119.600 -0.164 0.000 2.279 441 M HA -0.075 4.399 4.480 -0.009 0.000 0.264 441 M C 1.917 178.077 176.300 -0.233 0.000 1.062 441 M CA 0.752 55.972 55.300 -0.132 0.000 1.099 441 M CB -1.565 31.000 32.600 -0.059 0.000 1.394 441 M HN 0.608 nan 8.290 nan 0.000 0.426 442 A N -0.556 122.123 122.820 -0.236 0.000 1.898 442 A HA -0.166 4.148 4.320 -0.009 0.000 0.216 442 A C 1.987 179.351 177.584 -0.367 0.000 1.181 442 A CA 1.424 53.288 52.037 -0.288 0.000 0.620 442 A CB -1.104 17.925 19.000 0.049 0.000 0.819 442 A HN 0.599 nan 8.150 nan 0.000 0.442 443 H N -1.053 117.801 119.070 -0.361 0.000 2.389 443 H HA -0.020 4.531 4.556 -0.009 0.000 0.299 443 H C 2.115 177.214 175.328 -0.381 0.000 1.081 443 H CA 0.922 56.713 56.048 -0.427 0.000 1.345 443 H CB -0.042 29.683 29.762 -0.062 0.000 1.393 443 H HN 0.381 nan 8.280 nan 0.000 0.520 444 L N 0.382 121.519 121.223 -0.144 0.000 2.046 444 L HA -0.223 4.112 4.340 -0.009 0.000 0.208 444 L C 2.211 178.947 176.870 -0.225 0.000 1.077 444 L CA 1.270 56.025 54.840 -0.142 0.000 0.747 444 L CB -0.379 41.623 42.059 -0.095 0.000 0.896 444 L HN 0.440 nan 8.230 nan 0.000 0.432 445 C N 0.037 119.106 119.300 -0.386 0.000 2.429 445 C HA -0.165 4.290 4.460 -0.009 0.000 0.277 445 C C 2.664 177.409 174.990 -0.408 0.000 1.262 445 C CA 0.591 59.307 59.018 -0.503 0.000 1.733 445 C CB -0.736 26.333 27.740 -1.117 0.000 2.010 445 C HN 0.516 nan 8.230 nan 0.000 0.483 446 I N 1.377 121.657 120.570 -0.485 0.000 2.226 446 I HA -0.194 3.971 4.170 -0.009 0.000 0.245 446 I C 2.760 178.726 176.117 -0.251 0.000 1.100 446 I CA 1.614 62.673 61.300 -0.402 0.000 1.374 446 I CB -0.573 37.031 38.000 -0.661 0.000 1.057 446 I HN 0.266 nan 8.210 nan 0.000 0.413 447 A N 0.621 123.264 122.820 -0.295 0.000 1.933 447 A HA -0.107 4.207 4.320 -0.009 0.000 0.218 447 A C 2.213 179.835 177.584 0.062 0.000 1.175 447 A CA 1.897 53.805 52.037 -0.215 0.000 0.628 447 A CB -1.162 17.521 19.000 -0.528 0.000 0.814 447 A HN 0.480 nan 8.150 nan 0.000 0.444 448 G N -1.156 107.626 108.800 -0.030 0.000 3.284 448 G HA2 0.417 4.371 3.960 -0.009 0.000 0.236 448 G HA3 0.417 4.371 3.960 -0.009 0.000 0.236 448 G C 0.112 174.854 174.900 -0.264 0.000 1.158 448 G CA 0.498 45.468 45.100 -0.216 0.000 0.774 448 G HN 0.354 nan 8.290 nan 0.000 0.545 449 S N -0.470 115.126 115.700 -0.172 0.000 2.566 449 S HA 0.341 4.806 4.470 -0.009 0.000 0.298 449 S C 0.679 175.221 174.600 -0.097 0.000 1.083 449 S CA -0.716 57.407 58.200 -0.127 0.000 0.978 449 S CB 1.294 64.427 63.200 -0.112 0.000 1.073 449 S HN 0.500 nan 8.310 nan 0.000 0.491 450 H N -0.295 118.733 119.070 -0.069 0.000 2.553 450 H HA 0.536 5.086 4.556 -0.009 0.000 0.265 450 H C 0.081 175.385 175.328 -0.040 0.000 0.964 450 H CA 0.191 56.220 56.048 -0.031 0.000 1.156 450 H CB 0.154 29.916 29.762 0.000 0.000 1.411 450 H HN 0.510 nan 8.280 nan 0.000 0.558 451 A N 0.930 123.429 122.820 -0.535 0.000 2.488 451 A HA 0.561 4.875 4.320 -0.009 0.000 0.298 451 A C -1.473 175.905 177.584 -0.343 0.000 1.044 451 A CA -0.566 51.217 52.037 -0.424 0.000 0.693 451 A CB 2.228 20.948 19.000 -0.467 0.000 1.272 451 A HN 0.094 nan 8.150 nan 0.000 0.402 452 V N 4.130 123.813 119.914 -0.385 0.000 2.577 452 V HA 0.538 4.653 4.120 -0.009 0.000 0.303 452 V C -0.815 175.109 176.094 -0.285 0.000 1.042 452 V CA -0.760 61.321 62.300 -0.366 0.000 0.872 452 V CB 1.821 33.301 31.823 -0.572 0.000 0.998 452 V HN 1.030 nan 8.190 nan 0.000 0.423 453 N N 3.109 121.657 118.700 -0.253 0.000 2.262 453 N HA 0.632 5.366 4.740 -0.009 0.000 0.295 453 N C -0.272 175.142 175.510 -0.160 0.000 1.161 453 N CA -0.368 52.573 53.050 -0.182 0.000 0.767 453 N CB 2.895 41.243 38.487 -0.232 0.000 1.499 453 N HN 0.633 nan 8.380 nan 0.000 0.476 454 G N -0.854 107.889 108.800 -0.095 0.000 2.531 454 G HA2 0.429 4.384 3.960 -0.009 0.000 0.313 454 G HA3 0.429 4.384 3.960 -0.009 0.000 0.313 454 G C 0.715 175.678 174.900 0.104 0.000 1.238 454 G CA -0.497 44.600 45.100 -0.005 0.000 0.994 454 G HN 0.622 nan 8.290 nan 0.000 0.493 455 V N -3.657 116.434 119.914 0.295 0.000 3.427 455 V HA 0.692 4.807 4.120 -0.009 0.000 0.305 455 V C 0.540 176.716 176.094 0.136 0.000 1.412 455 V CA 0.306 62.694 62.300 0.146 0.000 1.086 455 V CB -0.791 31.081 31.823 0.081 0.000 0.964 455 V HN 1.339 nan 8.190 nan 0.000 0.439 456 A N -0.058 122.851 122.820 0.149 0.000 2.594 456 A HA 0.625 4.940 4.320 -0.009 0.000 0.296 456 A C 0.687 178.320 177.584 0.082 0.000 1.056 456 A CA -0.105 51.997 52.037 0.109 0.000 0.693 456 A CB 1.196 20.250 19.000 0.089 0.000 1.278 456 A HN 0.040 nan 8.150 nan 0.000 0.408 457 R N 1.021 121.548 120.500 0.046 0.000 2.113 457 R HA -0.177 4.157 4.340 -0.009 0.000 0.244 457 R C 1.644 177.940 176.300 -0.006 0.000 1.142 457 R CA 2.366 58.470 56.100 0.007 0.000 0.953 457 R CB -0.228 30.072 30.300 -0.000 0.000 0.860 457 R HN 0.830 nan 8.270 nan 0.000 0.438 458 I N 0.200 120.775 120.570 0.009 0.000 2.394 458 I HA -0.275 3.890 4.170 -0.009 0.000 0.251 458 I C 2.296 178.419 176.117 0.009 0.000 1.136 458 I CA 1.765 63.062 61.300 -0.005 0.000 1.425 458 I CB -0.220 37.777 38.000 -0.006 0.000 1.079 458 I HN 0.351 nan 8.210 nan 0.000 0.425 459 H N 0.322 119.359 119.070 -0.055 0.000 2.326 459 H HA -0.104 4.447 4.556 -0.009 0.000 0.301 459 H C 2.264 177.548 175.328 -0.073 0.000 1.081 459 H CA 2.154 58.162 56.048 -0.066 0.000 1.334 459 H CB -0.266 29.465 29.762 -0.052 0.000 1.385 459 H HN 0.224 nan 8.280 nan 0.000 0.504 460 S N 0.365 115.937 115.700 -0.214 0.000 2.382 460 S HA -0.126 4.339 4.470 -0.009 0.000 0.228 460 S C 1.883 176.348 174.600 -0.225 0.000 1.027 460 S CA 1.226 59.277 58.200 -0.248 0.000 0.991 460 S CB -0.076 63.057 63.200 -0.113 0.000 0.823 460 S HN 0.485 nan 8.310 nan 0.000 0.469 461 E N 1.120 121.215 120.200 -0.176 0.000 2.106 461 E HA 0.018 4.362 4.350 -0.009 0.000 0.192 461 E C 2.006 178.482 176.600 -0.207 0.000 0.984 461 E CA 0.603 56.891 56.400 -0.186 0.000 0.806 461 E CB -0.329 29.295 29.700 -0.126 0.000 0.750 461 E HN 0.509 nan 8.360 nan 0.000 0.458 462 I N 0.926 121.386 120.570 -0.184 0.000 2.286 462 I HA -0.259 3.906 4.170 -0.009 0.000 0.248 462 I C 2.378 178.352 176.117 -0.238 0.000 1.115 462 I CA 0.717 61.913 61.300 -0.173 0.000 1.392 462 I CB -0.208 37.722 38.000 -0.117 0.000 1.065 462 I HN 0.067 nan 8.210 nan 0.000 0.418 463 L N 0.443 121.476 121.223 -0.316 0.000 2.046 463 L HA -0.231 4.104 4.340 -0.009 0.000 0.208 463 L C 2.473 179.189 176.870 -0.256 0.000 1.077 463 L CA 1.615 56.259 54.840 -0.328 0.000 0.747 463 L CB -0.544 41.374 42.059 -0.236 0.000 0.896 463 L HN 0.201 nan 8.230 nan 0.000 0.432 464 K N -0.138 120.051 120.400 -0.351 0.000 2.217 464 K HA -0.111 4.204 4.320 -0.009 0.000 0.202 464 K C 1.994 178.393 176.600 -0.335 0.000 1.051 464 K CA 0.890 56.851 56.287 -0.544 0.000 0.952 464 K CB 0.084 32.004 32.500 -0.966 0.000 0.736 464 K HN 0.257 nan 8.250 nan 0.000 0.453 465 K N -0.115 120.141 120.400 -0.241 0.000 2.323 465 K HA -0.017 4.297 4.320 -0.009 0.000 0.197 465 K C 1.792 178.334 176.600 -0.095 0.000 1.043 465 K CA 1.287 57.488 56.287 -0.144 0.000 0.997 465 K CB 0.540 32.964 32.500 -0.127 0.000 0.807 465 K HN 0.254 nan 8.250 nan 0.000 0.497 466 T N -1.527 112.959 114.554 -0.113 0.000 3.409 466 T HA 0.058 4.402 4.350 -0.009 0.000 0.188 466 T C 1.628 176.289 174.700 -0.065 0.000 0.929 466 T CA -0.350 61.701 62.100 -0.081 0.000 1.184 466 T CB -0.671 68.142 68.868 -0.093 0.000 1.570 466 T HN -0.104 nan 8.240 nan 0.000 0.367 467 I N 1.274 121.747 120.570 -0.161 0.000 2.185 467 I HA 0.034 4.199 4.170 -0.009 0.000 0.246 467 I C 1.107 177.243 176.117 0.031 0.000 1.088 467 I CA 1.528 62.703 61.300 -0.209 0.000 1.347 467 I CB -0.376 37.274 38.000 -0.584 0.000 1.041 467 I HN 0.514 nan 8.210 nan 0.000 0.415 468 F N -0.645 119.363 119.950 0.098 0.000 2.791 468 F HA 0.200 4.722 4.527 -0.009 0.000 0.308 468 F C 1.831 177.706 175.800 0.125 0.000 1.138 468 F CA -0.511 57.614 58.000 0.209 0.000 1.294 468 F CB -0.092 39.015 39.000 0.178 0.000 0.975 468 F HN -0.089 nan 8.300 nan 0.000 0.512 469 K N 1.063 121.578 120.400 0.192 0.000 2.044 469 K HA -0.212 4.103 4.320 -0.009 0.000 0.210 469 K C 1.332 177.989 176.600 0.095 0.000 1.049 469 K CA 2.190 58.531 56.287 0.089 0.000 0.927 469 K CB 0.006 32.525 32.500 0.030 0.000 0.713 469 K HN 0.162 nan 8.250 nan 0.000 0.443 470 D N -0.108 120.325 120.400 0.054 0.000 2.117 470 D HA -0.162 4.473 4.640 -0.009 0.000 0.197 470 D C 1.819 178.033 176.300 -0.143 0.000 0.987 470 D CA 1.236 55.141 54.000 -0.159 0.000 0.829 470 D CB -0.294 40.309 40.800 -0.328 0.000 0.961 470 D HN 0.248 nan 8.370 nan 0.000 0.460 471 F N -0.118 119.908 119.950 0.126 0.000 2.186 471 F HA -0.144 4.378 4.527 -0.009 0.000 0.299 471 F C 2.350 178.315 175.800 0.274 0.000 1.090 471 F CA 0.510 58.664 58.000 0.257 0.000 1.307 471 F CB -0.668 38.544 39.000 0.352 0.000 1.019 471 F HN -0.039 nan 8.300 nan 0.000 0.489 472 Y N 1.431 121.731 120.300 0.000 0.000 2.224 472 Y HA -0.199 4.346 4.550 -0.009 0.000 0.289 472 Y C 2.093 178.006 175.900 0.021 0.000 1.146 472 Y CA 1.616 59.550 58.100 -0.277 0.000 1.182 472 Y CB -0.620 37.490 38.460 -0.583 0.000 0.983 472 Y HN 0.149 nan 8.280 nan 0.000 0.524 473 E N -0.504 119.666 120.200 -0.050 0.000 2.150 473 E HA -0.176 4.168 4.350 -0.009 0.000 0.193 473 E C 1.976 178.644 176.600 0.114 0.000 0.985 473 E CA 1.121 57.494 56.400 -0.045 0.000 0.814 473 E CB -0.236 29.471 29.700 0.012 0.000 0.752 473 E HN 0.428 nan 8.360 nan 0.000 0.466 474 L N 0.987 122.318 121.223 0.181 0.000 2.068 474 L HA -0.034 4.300 4.340 -0.009 0.000 0.204 474 L C 0.270 177.245 176.870 0.175 0.000 1.076 474 L CA 1.672 56.654 54.840 0.237 0.000 0.753 474 L CB 0.385 42.579 42.059 0.225 0.000 0.910 474 L HN -0.116 nan 8.230 nan 0.000 0.439 475 E N 0.176 120.485 120.200 0.182 0.000 3.386 475 E HA 0.185 4.529 4.350 -0.009 0.000 0.236 475 E C -1.993 174.588 176.600 -0.033 0.000 1.227 475 E CA -1.281 55.157 56.400 0.063 0.000 0.970 475 E CB 0.784 30.493 29.700 0.016 0.000 1.343 475 E HN 0.215 nan 8.360 nan 0.000 0.397 476 P HA -0.263 nan 4.420 nan 0.000 0.216 476 P C 1.234 178.638 177.300 0.172 0.000 1.150 476 P CA 1.477 64.515 63.100 -0.103 0.000 0.837 476 P CB -0.030 31.480 31.700 -0.317 0.000 0.786 477 H N 0.480 119.647 119.070 0.162 0.000 2.456 477 H HA 0.014 4.564 4.556 -0.009 0.000 0.296 477 H C 1.516 176.924 175.328 0.133 0.000 1.079 477 H CA 0.955 57.087 56.048 0.139 0.000 1.322 477 H CB -0.867 28.950 29.762 0.090 0.000 1.388 477 H HN 0.175 nan 8.280 nan 0.000 0.538 478 K N 0.304 120.522 120.400 -0.304 0.000 2.217 478 K HA 0.016 4.330 4.320 -0.009 0.000 0.202 478 K C -0.060 176.351 176.600 -0.315 0.000 1.051 478 K CA 0.321 56.427 56.287 -0.302 0.000 0.952 478 K CB 0.025 32.218 32.500 -0.512 0.000 0.736 478 K HN 0.111 nan 8.250 nan 0.000 0.453 479 F N 1.820 121.792 119.950 0.037 0.000 2.438 479 F HA 0.151 4.673 4.527 -0.009 0.000 0.356 479 F C 0.552 176.356 175.800 0.007 0.000 1.099 479 F CA -0.061 57.968 58.000 0.049 0.000 1.185 479 F CB 0.832 39.921 39.000 0.149 0.000 1.115 479 F HN -0.081 nan 8.300 nan 0.000 0.526 480 Q N 1.709 121.542 119.800 0.055 0.000 2.683 480 Q HA 0.380 4.714 4.340 -0.009 0.000 0.302 480 Q C -1.215 174.747 176.000 -0.064 0.000 1.042 480 Q CA -1.301 54.487 55.803 -0.025 0.000 0.773 480 Q CB 3.066 31.735 28.738 -0.115 0.000 1.508 480 Q HN 0.640 nan 8.270 nan 0.000 0.459 481 N N 0.490 119.130 118.700 -0.099 0.000 2.240 481 N HA 0.311 5.046 4.740 -0.009 0.000 0.302 481 N C -1.577 173.834 175.510 -0.166 0.000 1.106 481 N CA -0.425 52.564 53.050 -0.102 0.000 0.778 481 N CB 1.288 39.738 38.487 -0.062 0.000 1.431 481 N HN 0.293 nan 8.380 nan 0.000 0.479 482 K N 2.556 122.864 120.400 -0.153 0.000 2.764 482 K HA 0.182 4.497 4.320 -0.009 0.000 0.239 482 K C -1.071 175.537 176.600 0.014 0.000 1.048 482 K CA -0.474 55.697 56.287 -0.193 0.000 1.057 482 K CB 1.240 33.404 32.500 -0.561 0.000 1.251 482 K HN 0.557 nan 8.250 nan 0.000 0.524 483 T N 2.107 116.688 114.554 0.044 0.000 2.902 483 T HA 0.075 4.420 4.350 -0.009 0.000 0.301 483 T C 0.816 175.646 174.700 0.215 0.000 1.012 483 T CA 0.292 62.469 62.100 0.129 0.000 1.151 483 T CB 0.292 69.237 68.868 0.128 0.000 0.946 483 T HN 0.351 nan 8.240 nan 0.000 0.542 484 N N 0.682 119.533 118.700 0.251 0.000 2.267 484 N HA 0.386 5.120 4.740 -0.009 0.000 0.226 484 N C 0.489 176.187 175.510 0.313 0.000 1.314 484 N CA -0.093 53.140 53.050 0.305 0.000 0.887 484 N CB 0.358 38.962 38.487 0.195 0.000 1.120 484 N HN 0.767 nan 8.380 nan 0.000 0.440 485 G N -0.728 108.262 108.800 0.318 0.000 2.645 485 G HA2 0.574 4.529 3.960 -0.009 0.000 0.292 485 G HA3 0.574 4.529 3.960 -0.009 0.000 0.292 485 G C -1.476 173.555 174.900 0.219 0.000 1.415 485 G CA -0.746 44.526 45.100 0.287 0.000 0.785 485 G HN 0.598 nan 8.290 nan 0.000 0.483 486 I N -2.268 118.418 120.570 0.193 0.000 2.828 486 I HA 0.744 4.908 4.170 -0.009 0.000 0.302 486 I C -0.254 176.020 176.117 0.261 0.000 1.101 486 I CA -0.931 60.477 61.300 0.179 0.000 1.031 486 I CB 2.448 40.447 38.000 -0.001 0.000 1.231 486 I HN 0.505 nan 8.210 nan 0.000 0.427 487 T N 4.741 119.499 114.554 0.340 0.000 2.779 487 T HA 0.327 4.672 4.350 -0.009 0.000 0.296 487 T C -1.287 173.531 174.700 0.196 0.000 0.938 487 T CA -1.549 60.680 62.100 0.215 0.000 1.119 487 T CB 0.708 69.654 68.868 0.130 0.000 0.891 487 T HN 0.649 nan 8.240 nan 0.000 0.526 488 P HA 0.013 nan 4.420 nan 0.000 0.230 488 P C 1.058 178.330 177.300 -0.047 0.000 1.158 488 P CA 0.364 63.502 63.100 0.065 0.000 0.769 488 P CB 0.385 32.108 31.700 0.038 0.000 0.807 489 R N 0.473 120.902 120.500 -0.118 0.000 2.056 489 R HA 0.018 4.353 4.340 -0.009 0.000 0.227 489 R C 2.729 178.916 176.300 -0.190 0.000 1.149 489 R CA 1.516 57.505 56.100 -0.184 0.000 0.937 489 R CB -1.206 28.993 30.300 -0.168 0.000 0.835 489 R HN 0.052 nan 8.270 nan 0.000 0.430 490 R N -0.792 119.539 120.500 -0.283 0.000 2.092 490 R HA -0.107 4.228 4.340 -0.009 0.000 0.231 490 R C 0.991 176.912 176.300 -0.632 0.000 1.119 490 R CA 1.487 57.264 56.100 -0.538 0.000 0.970 490 R CB -0.145 29.670 30.300 -0.809 0.000 0.864 490 R HN 0.285 nan 8.270 nan 0.000 0.440 491 W N -0.044 121.215 121.300 -0.068 0.000 3.405 491 W HA 0.145 4.799 4.660 -0.010 0.000 0.300 491 W C 0.932 177.421 176.519 -0.050 0.000 1.286 491 W CA -0.630 56.673 57.345 -0.070 0.000 1.762 491 W CB 0.393 29.816 29.460 -0.063 0.000 1.087 491 W HN 0.228 nan 8.180 nan 0.000 0.703 492 L N -2.455 118.813 121.223 0.075 0.000 2.376 492 L HA 0.169 4.503 4.340 -0.009 0.000 0.153 492 L C 1.737 178.621 176.870 0.024 0.000 1.272 492 L CA 0.722 55.608 54.840 0.077 0.000 1.005 492 L CB -0.847 41.285 42.059 0.122 0.000 2.027 492 L HN -0.261 nan 8.230 nan 0.000 0.495 493 V N 1.258 121.165 119.914 -0.011 0.000 2.287 493 V HA -0.276 3.839 4.120 -0.009 0.000 0.248 493 V C 2.438 178.505 176.094 -0.045 0.000 1.053 493 V CA 2.531 64.815 62.300 -0.026 0.000 1.027 493 V CB -0.689 31.091 31.823 -0.071 0.000 0.646 493 V HN 0.518 nan 8.190 nan 0.000 0.447 494 L N 0.505 121.671 121.223 -0.095 0.000 2.023 494 L HA -0.182 4.153 4.340 -0.009 0.000 0.205 494 L C 2.489 179.293 176.870 -0.110 0.000 1.073 494 L CA 2.395 57.164 54.840 -0.119 0.000 0.745 494 L CB -0.274 41.666 42.059 -0.198 0.000 0.900 494 L HN 0.656 nan 8.230 nan 0.000 0.435 495 C N -1.609 117.615 119.300 -0.125 0.000 2.563 495 C HA 0.195 4.650 4.460 -0.009 0.000 0.268 495 C C 1.169 176.139 174.990 -0.034 0.000 1.365 495 C CA -0.295 58.669 59.018 -0.090 0.000 1.754 495 C CB -1.078 26.602 27.740 -0.100 0.000 1.932 495 C HN 0.600 nan 8.230 nan 0.000 0.536 496 N N 1.126 119.817 118.700 -0.014 0.000 2.687 496 N HA 0.270 5.005 4.740 -0.009 0.000 0.275 496 N C -1.702 173.819 175.510 0.017 0.000 1.789 496 N CA -1.534 51.520 53.050 0.007 0.000 0.806 496 N CB 0.778 39.278 38.487 0.022 0.000 1.256 496 N HN 0.255 nan 8.380 nan 0.000 0.500 497 P HA -0.056 nan 4.420 nan 0.000 0.218 497 P C 1.393 178.709 177.300 0.027 0.000 1.149 497 P CA 0.917 64.028 63.100 0.019 0.000 0.817 497 P CB 0.241 31.945 31.700 0.007 0.000 0.785 498 G N 0.616 109.427 108.800 0.018 0.000 2.440 498 G HA2 -0.246 3.708 3.960 -0.009 0.000 0.218 498 G HA3 -0.246 3.708 3.960 -0.009 0.000 0.218 498 G C 1.524 176.433 174.900 0.016 0.000 1.154 498 G CA 0.689 45.797 45.100 0.013 0.000 0.767 498 G HN 0.263 nan 8.290 nan 0.000 0.552 499 L N 1.132 122.367 121.223 0.019 0.000 2.095 499 L HA 0.337 4.671 4.340 -0.009 0.000 0.204 499 L C 3.023 179.927 176.870 0.056 0.000 1.080 499 L CA 1.906 56.758 54.840 0.019 0.000 0.759 499 L CB -0.722 41.348 42.059 0.018 0.000 0.914 499 L HN 0.211 nan 8.230 nan 0.000 0.439 500 A N -0.715 122.159 122.820 0.090 0.000 1.940 500 A HA -0.244 4.071 4.320 -0.009 0.000 0.219 500 A C 2.227 179.912 177.584 0.168 0.000 1.176 500 A CA 1.791 53.934 52.037 0.178 0.000 0.631 500 A CB -0.634 18.459 19.000 0.156 0.000 0.814 500 A HN 0.538 nan 8.150 nan 0.000 0.446 501 E N 0.739 120.997 120.200 0.097 0.000 2.028 501 E HA -0.159 4.185 4.350 -0.009 0.000 0.191 501 E C 1.866 178.508 176.600 0.069 0.000 0.988 501 E CA 1.619 58.065 56.400 0.077 0.000 0.799 501 E CB -0.523 29.204 29.700 0.045 0.000 0.755 501 E HN 0.729 nan 8.360 nan 0.000 0.447 502 I N -1.614 118.991 120.570 0.059 0.000 2.454 502 I HA -0.150 4.015 4.170 -0.009 0.000 0.254 502 I C 2.127 178.314 176.117 0.117 0.000 1.156 502 I CA 1.123 62.470 61.300 0.078 0.000 1.433 502 I CB -0.372 37.660 38.000 0.054 0.000 1.082 502 I HN 0.029 nan 8.210 nan 0.000 0.432 503 I N 1.913 122.532 120.570 0.081 0.000 2.233 503 I HA -0.155 4.010 4.170 -0.009 0.000 0.243 503 I C 3.014 179.090 176.117 -0.069 0.000 1.093 503 I CA 1.225 62.504 61.300 -0.034 0.000 1.380 503 I CB -0.446 37.425 38.000 -0.215 0.000 1.067 503 I HN 0.280 nan 8.210 nan 0.000 0.413 504 A N 0.436 123.308 122.820 0.087 0.000 1.972 504 A HA -0.224 4.091 4.320 -0.009 0.000 0.219 504 A C 2.138 179.755 177.584 0.056 0.000 1.169 504 A CA 1.565 53.702 52.037 0.167 0.000 0.635 504 A CB -0.582 18.544 19.000 0.211 0.000 0.810 504 A HN 0.437 nan 8.150 nan 0.000 0.446 505 E N -0.738 119.474 120.200 0.020 0.000 2.204 505 E HA -0.182 4.162 4.350 -0.009 0.000 0.195 505 E C 2.168 178.729 176.600 -0.065 0.000 0.990 505 E CA 1.021 57.415 56.400 -0.009 0.000 0.821 505 E CB -0.013 29.686 29.700 -0.002 0.000 0.750 505 E HN 0.498 nan 8.360 nan 0.000 0.477 506 R N 0.022 120.427 120.500 -0.158 0.000 2.123 506 R HA 0.109 4.444 4.340 -0.009 0.000 0.209 506 R C 2.269 178.496 176.300 -0.121 0.000 1.078 506 R CA 0.776 56.708 56.100 -0.279 0.000 1.028 506 R CB -0.082 29.724 30.300 -0.824 0.000 0.939 506 R HN 0.292 nan 8.270 nan 0.000 0.463 507 I N -2.771 117.745 120.570 -0.091 0.000 4.081 507 I HA 0.437 4.602 4.170 -0.009 0.000 0.333 507 I C 0.393 176.554 176.117 0.074 0.000 1.413 507 I CA 0.029 61.331 61.300 0.003 0.000 1.110 507 I CB 0.807 38.798 38.000 -0.016 0.000 1.082 507 I HN 0.170 nan 8.210 nan 0.000 0.402 508 G N 2.334 111.188 108.800 0.090 0.000 2.660 508 G HA2 -0.206 3.749 3.960 -0.009 0.000 0.247 508 G HA3 -0.206 3.749 3.960 -0.009 0.000 0.247 508 G C -0.079 174.957 174.900 0.226 0.000 1.328 508 G CA 0.135 45.309 45.100 0.124 0.000 0.884 508 G HN 0.474 nan 8.290 nan 0.000 0.531 509 E N -0.382 119.898 120.200 0.134 0.000 2.460 509 E HA 0.092 4.437 4.350 -0.009 0.000 0.200 509 E C 1.806 178.355 176.600 -0.084 0.000 1.011 509 E CA 0.055 56.471 56.400 0.027 0.000 0.912 509 E CB 0.336 30.041 29.700 0.008 0.000 0.953 509 E HN 0.442 nan 8.360 nan 0.000 0.494 510 E N 0.949 121.173 120.200 0.041 0.000 2.219 510 E HA -0.210 4.134 4.350 -0.009 0.000 0.198 510 E C 1.758 178.357 176.600 -0.002 0.000 0.998 510 E CA 1.118 57.535 56.400 0.028 0.000 0.818 510 E CB -0.111 29.629 29.700 0.066 0.000 0.741 510 E HN 0.559 nan 8.360 nan 0.000 0.477 511 Y N -1.030 119.274 120.300 0.007 0.000 2.403 511 Y HA -0.036 4.509 4.550 -0.008 0.000 0.291 511 Y C 2.005 177.879 175.900 -0.043 0.000 1.143 511 Y CA 0.608 58.703 58.100 -0.008 0.000 1.257 511 Y CB -0.819 37.640 38.460 -0.000 0.000 0.984 511 Y HN -0.080 nan 8.280 nan 0.000 0.550 512 I N 0.986 121.066 120.570 -0.816 0.000 2.530 512 I HA -0.222 3.942 4.170 -0.009 0.000 0.257 512 I C 1.404 177.247 176.117 -0.458 0.000 1.179 512 I CA 1.755 62.621 61.300 -0.723 0.000 1.440 512 I CB -0.382 37.106 38.000 -0.855 0.000 1.087 512 I HN 0.510 nan 8.210 nan 0.000 0.440 513 S N -2.216 113.336 115.700 -0.247 0.000 2.846 513 S HA 0.195 4.660 4.470 -0.009 0.000 0.249 513 S C 0.037 174.619 174.600 -0.030 0.000 1.028 513 S CA -0.544 57.587 58.200 -0.115 0.000 1.043 513 S CB 0.397 63.596 63.200 -0.001 0.000 0.990 513 S HN 0.278 nan 8.310 nan 0.000 0.564 514 D N 0.713 121.104 120.400 -0.015 0.000 3.250 514 D HA 0.207 4.842 4.640 -0.009 0.000 0.252 514 D C 0.371 176.715 176.300 0.072 0.000 1.342 514 D CA -0.357 53.660 54.000 0.028 0.000 0.807 514 D CB 0.298 41.120 40.800 0.037 0.000 1.449 514 D HN 0.107 nan 8.370 nan 0.000 0.610 515 L N 1.073 122.340 121.223 0.073 0.000 2.349 515 L HA -0.020 4.315 4.340 -0.009 0.000 0.220 515 L C 1.433 178.354 176.870 0.086 0.000 1.130 515 L CA 1.584 56.498 54.840 0.123 0.000 0.791 515 L CB -0.132 41.989 42.059 0.103 0.000 0.918 515 L HN 0.289 nan 8.230 nan 0.000 0.444 516 D N -0.864 119.564 120.400 0.045 0.000 2.263 516 D HA -0.214 4.421 4.640 -0.009 0.000 0.208 516 D C 1.853 178.173 176.300 0.034 0.000 0.971 516 D CA 0.774 54.787 54.000 0.021 0.000 0.867 516 D CB 0.089 40.889 40.800 -0.001 0.000 0.929 516 D HN 0.560 nan 8.370 nan 0.000 0.492 517 Q N -0.001 119.838 119.800 0.064 0.000 2.364 517 Q HA -0.019 4.315 4.340 -0.009 0.000 0.207 517 Q C 2.248 178.268 176.000 0.033 0.000 0.970 517 Q CA 0.153 55.994 55.803 0.063 0.000 0.888 517 Q CB 0.065 28.869 28.738 0.110 0.000 0.951 517 Q HN 0.376 nan 8.270 nan 0.000 0.469 518 L N 0.104 121.341 121.223 0.023 0.000 2.353 518 L HA -0.189 4.146 4.340 -0.009 0.000 0.220 518 L C 2.252 179.119 176.870 -0.005 0.000 1.133 518 L CA 0.829 55.649 54.840 -0.032 0.000 0.798 518 L CB -0.307 41.744 42.059 -0.013 0.000 0.922 518 L HN 0.208 nan 8.230 nan 0.000 0.445 519 R N 0.286 120.792 120.500 0.010 0.000 2.127 519 R HA -0.174 4.161 4.340 -0.009 0.000 0.238 519 R C 2.074 178.379 176.300 0.008 0.000 1.134 519 R CA 1.062 57.169 56.100 0.011 0.000 0.975 519 R CB -0.167 30.135 30.300 0.004 0.000 0.865 519 R HN 0.381 nan 8.270 nan 0.000 0.447 520 K N 0.574 120.979 120.400 0.008 0.000 2.360 520 K HA -0.105 4.209 4.320 -0.009 0.000 0.201 520 K C 1.772 178.406 176.600 0.057 0.000 1.046 520 K CA 0.804 57.101 56.287 0.016 0.000 0.940 520 K CB -0.061 32.458 32.500 0.031 0.000 0.748 520 K HN 0.224 nan 8.250 nan 0.000 0.465 521 L N 0.527 121.782 121.223 0.053 0.000 2.465 521 L HA -0.122 4.213 4.340 -0.009 0.000 0.224 521 L C 1.790 178.727 176.870 0.111 0.000 1.145 521 L CA -0.022 54.875 54.840 0.096 0.000 0.834 521 L CB -0.181 41.895 42.059 0.029 0.000 0.944 521 L HN 0.122 nan 8.230 nan 0.000 0.451 522 L N -0.017 121.233 121.223 0.045 0.000 2.131 522 L HA -0.165 4.170 4.340 -0.009 0.000 0.210 522 L C 2.655 179.504 176.870 -0.035 0.000 1.092 522 L CA 1.822 56.673 54.840 0.020 0.000 0.759 522 L CB -0.722 41.336 42.059 -0.001 0.000 0.903 522 L HN 0.332 nan 8.230 nan 0.000 0.435 523 S N -2.688 112.930 115.700 -0.137 0.000 2.660 523 S HA -0.066 4.398 4.470 -0.009 0.000 0.223 523 S C 1.134 175.457 174.600 -0.462 0.000 0.963 523 S CA 0.263 58.282 58.200 -0.303 0.000 0.932 523 S CB -0.524 62.430 63.200 -0.410 0.000 0.775 523 S HN 0.449 nan 8.310 nan 0.000 0.531 524 Y N -0.558 119.678 120.300 -0.107 0.000 2.500 524 Y HA 0.420 4.968 4.550 -0.004 0.000 0.246 524 Y C 1.913 177.847 175.900 0.057 0.000 1.146 524 Y CA -0.700 57.331 58.100 -0.114 0.000 1.230 524 Y CB 0.116 38.304 38.460 -0.453 0.000 1.214 524 Y HN 0.252 nan 8.280 nan 0.000 0.526 525 V N 0.470 120.479 119.914 0.159 0.000 2.688 525 V HA -0.230 3.884 4.120 -0.009 0.000 0.256 525 V C 0.906 177.074 176.094 0.124 0.000 1.084 525 V CA 2.328 64.721 62.300 0.155 0.000 1.103 525 V CB -0.020 31.853 31.823 0.082 0.000 0.688 525 V HN 0.324 nan 8.190 nan 0.000 0.480 526 D N -0.812 119.643 120.400 0.091 0.000 2.398 526 D HA 0.126 4.760 4.640 -0.009 0.000 0.210 526 D C 0.362 176.717 176.300 0.091 0.000 1.094 526 D CA -0.007 54.035 54.000 0.069 0.000 0.839 526 D CB 0.068 40.884 40.800 0.028 0.000 0.963 526 D HN 0.434 nan 8.370 nan 0.000 0.506 527 D N 1.392 121.883 120.400 0.153 0.000 2.338 527 D HA -0.030 4.605 4.640 -0.009 0.000 0.255 527 D C 1.186 177.593 176.300 0.178 0.000 1.237 527 D CA 0.017 54.127 54.000 0.183 0.000 0.883 527 D CB 1.436 42.419 40.800 0.304 0.000 1.087 527 D HN -0.192 nan 8.370 nan 0.000 0.485 528 E N 3.143 123.412 120.200 0.115 0.000 2.204 528 E HA -0.125 4.219 4.350 -0.009 0.000 0.195 528 E C 1.596 178.249 176.600 0.088 0.000 0.990 528 E CA 1.228 57.678 56.400 0.084 0.000 0.821 528 E CB 0.056 29.789 29.700 0.055 0.000 0.750 528 E HN 0.563 nan 8.360 nan 0.000 0.477 529 A N -0.613 122.277 122.820 0.116 0.000 1.898 529 A HA -0.040 4.275 4.320 -0.009 0.000 0.214 529 A C 2.137 179.804 177.584 0.139 0.000 1.183 529 A CA 0.854 52.955 52.037 0.105 0.000 0.622 529 A CB -0.757 18.305 19.000 0.103 0.000 0.824 529 A HN 0.423 nan 8.150 nan 0.000 0.444 530 F N 0.579 120.537 119.950 0.013 0.000 2.113 530 F HA -0.127 4.395 4.527 -0.008 0.000 0.297 530 F C 2.042 177.842 175.800 0.000 0.000 1.103 530 F CA 1.543 59.533 58.000 -0.016 0.000 1.248 530 F CB -0.091 38.904 39.000 -0.008 0.000 0.999 530 F HN 0.146 nan 8.300 nan 0.000 0.475 531 I N 0.288 120.885 120.570 0.046 0.000 2.151 531 I HA -0.377 3.788 4.170 -0.009 0.000 0.243 531 I C 2.573 178.634 176.117 -0.093 0.000 1.080 531 I CA 1.757 63.028 61.300 -0.048 0.000 1.339 531 I CB -0.549 37.471 38.000 0.034 0.000 1.039 531 I HN 0.134 nan 8.210 nan 0.000 0.409 532 R N 0.900 121.373 120.500 -0.046 0.000 2.081 532 R HA -0.185 4.149 4.340 -0.009 0.000 0.235 532 R C 1.886 178.136 176.300 -0.084 0.000 1.131 532 R CA 1.869 57.940 56.100 -0.048 0.000 0.960 532 R CB -0.113 30.178 30.300 -0.015 0.000 0.856 532 R HN 0.307 nan 8.270 nan 0.000 0.436 533 D N -0.285 120.047 120.400 -0.115 0.000 2.117 533 D HA -0.116 4.519 4.640 -0.009 0.000 0.198 533 D C 1.963 178.138 176.300 -0.209 0.000 0.982 533 D CA 1.203 55.122 54.000 -0.135 0.000 0.828 533 D CB -0.201 40.535 40.800 -0.108 0.000 0.967 533 D HN 0.086 nan 8.370 nan 0.000 0.464 534 V N 1.660 121.354 119.914 -0.368 0.000 2.287 534 V HA -0.267 3.848 4.120 -0.009 0.000 0.248 534 V C 2.548 178.546 176.094 -0.161 0.000 1.053 534 V CA 1.980 64.074 62.300 -0.343 0.000 1.027 534 V CB -0.812 30.733 31.823 -0.464 0.000 0.646 534 V HN 0.191 nan 8.190 nan 0.000 0.447 535 A N -0.715 122.030 122.820 -0.124 0.000 1.969 535 A HA -0.234 4.080 4.320 -0.009 0.000 0.218 535 A C 2.350 179.895 177.584 -0.065 0.000 1.169 535 A CA 2.009 54.006 52.037 -0.067 0.000 0.635 535 A CB -0.439 18.526 19.000 -0.058 0.000 0.810 535 A HN 0.531 nan 8.150 nan 0.000 0.445 536 K N -0.200 120.156 120.400 -0.072 0.000 2.025 536 K HA -0.079 4.235 4.320 -0.009 0.000 0.207 536 K C 1.826 178.399 176.600 -0.045 0.000 1.049 536 K CA 1.557 57.812 56.287 -0.054 0.000 0.933 536 K CB -0.249 32.222 32.500 -0.048 0.000 0.714 536 K HN 0.233 nan 8.250 nan 0.000 0.438 537 V N 1.762 121.644 119.914 -0.054 0.000 2.343 537 V HA -0.245 3.870 4.120 -0.009 0.000 0.247 537 V C 2.360 178.439 176.094 -0.025 0.000 1.051 537 V CA 1.992 64.270 62.300 -0.037 0.000 1.036 537 V CB -0.479 31.317 31.823 -0.046 0.000 0.654 537 V HN 0.346 nan 8.190 nan 0.000 0.451 538 K N 0.562 120.944 120.400 -0.031 0.000 2.057 538 K HA -0.227 4.088 4.320 -0.009 0.000 0.207 538 K C 2.164 178.739 176.600 -0.042 0.000 1.049 538 K CA 1.781 58.056 56.287 -0.020 0.000 0.931 538 K CB -0.485 32.016 32.500 0.001 0.000 0.714 538 K HN 0.392 nan 8.250 nan 0.000 0.440 539 Q N 1.042 120.811 119.800 -0.053 0.000 2.084 539 Q HA -0.118 4.217 4.340 -0.009 0.000 0.202 539 Q C 1.662 177.643 176.000 -0.031 0.000 0.978 539 Q CA 2.002 57.766 55.803 -0.065 0.000 0.844 539 Q CB -0.107 28.596 28.738 -0.058 0.000 0.898 539 Q HN 0.526 nan 8.270 nan 0.000 0.426 540 E N -0.483 119.710 120.200 -0.011 0.000 2.077 540 E HA -0.156 4.188 4.350 -0.009 0.000 0.193 540 E C 1.776 178.400 176.600 0.040 0.000 0.989 540 E CA 0.982 57.391 56.400 0.014 0.000 0.800 540 E CB -0.077 29.629 29.700 0.010 0.000 0.746 540 E HN 0.413 nan 8.360 nan 0.000 0.452 541 N N 0.983 119.704 118.700 0.034 0.000 2.166 541 N HA -0.142 4.593 4.740 -0.009 0.000 0.186 541 N C 1.498 177.087 175.510 0.133 0.000 1.019 541 N CA 1.078 54.168 53.050 0.067 0.000 0.856 541 N CB -0.073 38.436 38.487 0.038 0.000 0.993 541 N HN 0.150 nan 8.380 nan 0.000 0.426 542 K N 0.545 120.992 120.400 0.079 0.000 2.097 542 K HA 0.044 4.358 4.320 -0.009 0.000 0.205 542 K C 2.099 178.837 176.600 0.231 0.000 1.050 542 K CA 0.580 56.947 56.287 0.133 0.000 0.938 542 K CB -0.083 32.241 32.500 -0.294 0.000 0.718 542 K HN 0.110 nan 8.250 nan 0.000 0.442 543 L N 1.028 122.325 121.223 0.124 0.000 2.056 543 L HA -0.150 4.185 4.340 -0.009 0.000 0.207 543 L C 2.599 179.565 176.870 0.159 0.000 1.078 543 L CA 0.985 55.901 54.840 0.126 0.000 0.749 543 L CB -0.315 41.789 42.059 0.075 0.000 0.901 543 L HN 0.097 nan 8.230 nan 0.000 0.433 544 K N 0.012 120.512 120.400 0.166 0.000 2.057 544 K HA -0.205 4.109 4.320 -0.009 0.000 0.207 544 K C 2.161 178.915 176.600 0.255 0.000 1.049 544 K CA 1.679 58.072 56.287 0.178 0.000 0.931 544 K CB -0.299 32.293 32.500 0.153 0.000 0.714 544 K HN 0.125 nan 8.250 nan 0.000 0.440 545 F N 1.219 121.259 119.950 0.149 0.000 2.206 545 F HA -0.031 4.490 4.527 -0.009 0.000 0.298 545 F C 2.034 177.962 175.800 0.213 0.000 1.090 545 F CA 1.117 59.218 58.000 0.168 0.000 1.323 545 F CB -0.386 38.711 39.000 0.162 0.000 1.028 545 F HN 0.032 nan 8.300 nan 0.000 0.492 546 A N -0.034 122.913 122.820 0.211 0.000 2.019 546 A HA 0.012 4.327 4.320 -0.009 0.000 0.219 546 A C 2.331 179.932 177.584 0.028 0.000 1.164 546 A CA 1.557 53.644 52.037 0.083 0.000 0.644 546 A CB -1.288 17.823 19.000 0.184 0.000 0.805 546 A HN 0.436 nan 8.150 nan 0.000 0.449 547 A N -1.433 121.436 122.820 0.081 0.000 1.878 547 A HA 0.038 4.353 4.320 -0.009 0.000 0.213 547 A C 2.082 179.698 177.584 0.054 0.000 1.192 547 A CA 1.323 53.406 52.037 0.077 0.000 0.619 547 A CB -0.808 18.251 19.000 0.098 0.000 0.837 547 A HN 0.706 nan 8.150 nan 0.000 0.446 548 Y N 0.201 120.461 120.300 -0.068 0.000 2.207 548 Y HA -0.192 4.353 4.550 -0.009 0.000 0.287 548 Y C 1.835 177.665 175.900 -0.117 0.000 1.156 548 Y CA 1.666 59.720 58.100 -0.077 0.000 1.182 548 Y CB -0.338 38.089 38.460 -0.055 0.000 0.979 548 Y HN 0.189 nan 8.280 nan 0.000 0.521 549 L N 0.840 122.031 121.223 -0.054 0.000 2.079 549 L HA -0.205 4.129 4.340 -0.009 0.000 0.210 549 L C 2.202 179.040 176.870 -0.052 0.000 1.081 549 L CA 2.017 56.801 54.840 -0.093 0.000 0.752 549 L CB -0.753 41.158 42.059 -0.246 0.000 0.896 549 L HN 0.347 nan 8.230 nan 0.000 0.433 550 E N -1.828 118.343 120.200 -0.049 0.000 2.230 550 E HA -0.086 4.259 4.350 -0.009 0.000 0.192 550 E C 2.141 178.697 176.600 -0.074 0.000 0.987 550 E CA -0.021 56.369 56.400 -0.016 0.000 0.841 550 E CB 0.157 29.883 29.700 0.043 0.000 0.783 550 E HN 0.340 nan 8.360 nan 0.000 0.481 551 R N 1.225 121.639 120.500 -0.143 0.000 2.092 551 R HA -0.070 4.264 4.340 -0.009 0.000 0.226 551 R C 1.702 177.830 176.300 -0.286 0.000 1.140 551 R CA 1.132 57.117 56.100 -0.192 0.000 0.910 551 R CB -0.454 29.711 30.300 -0.225 0.000 0.822 551 R HN 0.148 nan 8.270 nan 0.000 0.433 552 E N -0.418 119.475 120.200 -0.512 0.000 2.465 552 E HA 0.016 4.361 4.350 -0.009 0.000 0.191 552 E C 0.166 176.229 176.600 -0.896 0.000 1.053 552 E CA 0.295 56.277 56.400 -0.698 0.000 0.869 552 E CB 0.289 29.436 29.700 -0.923 0.000 0.977 552 E HN 0.412 nan 8.360 nan 0.000 0.483 553 Y N -0.049 120.139 120.300 -0.186 0.000 2.954 553 Y HA 0.138 4.683 4.550 -0.009 0.000 0.267 553 Y C -0.143 175.725 175.900 -0.054 0.000 1.093 553 Y CA -1.034 57.013 58.100 -0.089 0.000 1.257 553 Y CB 0.532 38.951 38.460 -0.068 0.000 1.317 553 Y HN -0.246 nan 8.280 nan 0.000 0.587 554 K N 1.386 121.805 120.400 0.033 0.000 4.116 554 K HA -0.132 4.183 4.320 -0.009 0.000 0.277 554 K C -0.564 176.077 176.600 0.067 0.000 0.835 554 K CA 0.980 57.290 56.287 0.039 0.000 0.740 554 K CB -1.501 31.019 32.500 0.033 0.000 1.714 554 K HN 0.269 nan 8.250 nan 0.000 0.433 555 V N -1.185 118.765 119.914 0.060 0.000 2.462 555 V HA 0.306 4.421 4.120 -0.009 0.000 0.288 555 V C -0.051 176.071 176.094 0.045 0.000 1.020 555 V CA -1.136 61.193 62.300 0.049 0.000 0.857 555 V CB 1.606 33.438 31.823 0.014 0.000 1.013 555 V HN 0.434 nan 8.190 nan 0.000 0.431 556 H N 5.649 124.717 119.070 -0.003 0.000 2.629 556 H HA 0.792 5.343 4.556 -0.009 0.000 0.357 556 H C -0.163 175.162 175.328 -0.004 0.000 1.121 556 H CA 0.326 56.375 56.048 0.002 0.000 1.406 556 H CB 1.309 31.078 29.762 0.011 0.000 1.456 556 H HN 0.970 nan 8.280 nan 0.000 0.579 557 I N 0.850 120.985 120.570 -0.726 0.000 3.102 557 I HA 0.380 4.545 4.170 -0.009 0.000 0.310 557 I C -1.116 174.728 176.117 -0.455 0.000 1.246 557 I CA -1.411 59.640 61.300 -0.414 0.000 0.979 557 I CB 2.197 40.058 38.000 -0.232 0.000 1.267 557 I HN 0.497 nan 8.210 nan 0.000 0.451 558 N N 3.432 122.053 118.700 -0.131 0.000 2.462 558 N HA 0.470 5.205 4.740 -0.009 0.000 0.242 558 N C -2.147 173.453 175.510 0.150 0.000 1.010 558 N CA -2.334 50.717 53.050 0.002 0.000 0.939 558 N CB 1.352 39.864 38.487 0.042 0.000 1.127 558 N HN 0.334 nan 8.380 nan 0.000 0.509 559 P HA -0.025 nan 4.420 nan 0.000 0.228 559 P C 0.021 177.291 177.300 -0.050 0.000 1.151 559 P CA 1.126 64.281 63.100 0.091 0.000 0.770 559 P CB 0.162 31.905 31.700 0.071 0.000 0.786 560 N N -1.317 117.391 118.700 0.013 0.000 2.424 560 N HA 0.002 4.737 4.740 -0.009 0.000 0.178 560 N C 0.587 176.112 175.510 0.025 0.000 1.060 560 N CA -0.087 52.963 53.050 0.000 0.000 0.901 560 N CB 0.073 38.578 38.487 0.030 0.000 0.979 560 N HN 0.183 nan 8.380 nan 0.000 0.451 561 S N 0.480 116.208 115.700 0.046 0.000 2.608 561 S HA 0.172 4.636 4.470 -0.009 0.000 0.261 561 S C 0.042 174.595 174.600 -0.079 0.000 1.314 561 S CA -0.805 57.412 58.200 0.028 0.000 0.992 561 S CB 1.045 64.289 63.200 0.073 0.000 0.935 561 S HN 0.166 nan 8.310 nan 0.000 0.564 562 L N 1.708 122.745 121.223 -0.310 0.000 2.360 562 L HA 0.387 4.721 4.340 -0.009 0.000 0.276 562 L C -0.880 175.952 176.870 -0.064 0.000 1.121 562 L CA -0.611 53.844 54.840 -0.642 0.000 0.845 562 L CB -0.115 41.267 42.059 -1.128 0.000 1.143 562 L HN 0.708 nan 8.230 nan 0.000 0.452 563 F N 4.178 123.981 119.950 -0.245 0.000 2.405 563 F HA 0.089 4.611 4.527 -0.008 0.000 0.358 563 F C 0.469 176.190 175.800 -0.133 0.000 1.151 563 F CA -0.828 57.097 58.000 -0.126 0.000 1.161 563 F CB 0.525 39.500 39.000 -0.041 0.000 1.245 563 F HN 0.526 nan 8.300 nan 0.000 0.545 564 D N 4.736 125.133 120.400 -0.005 0.000 2.380 564 D HA 0.286 4.920 4.640 -0.009 0.000 0.230 564 D C -0.891 175.346 176.300 -0.105 0.000 1.154 564 D CA -0.037 53.914 54.000 -0.081 0.000 0.859 564 D CB 1.222 41.959 40.800 -0.105 0.000 1.045 564 D HN 0.092 nan 8.370 nan 0.000 0.495 565 V N 4.408 124.244 119.914 -0.130 0.000 2.540 565 V HA 0.369 4.483 4.120 -0.009 0.000 0.302 565 V C -0.185 175.759 176.094 -0.249 0.000 1.035 565 V CA -0.830 61.377 62.300 -0.155 0.000 0.873 565 V CB 1.835 33.636 31.823 -0.035 0.000 0.992 565 V HN 0.490 nan 8.190 nan 0.000 0.428 566 Q N 3.703 123.370 119.800 -0.223 0.000 2.394 566 Q HA 0.631 4.966 4.340 -0.009 0.000 0.261 566 Q C -1.426 174.403 176.000 -0.286 0.000 1.023 566 Q CA -0.446 55.211 55.803 -0.243 0.000 0.720 566 Q CB 1.875 30.495 28.738 -0.196 0.000 1.241 566 Q HN 0.789 nan 8.270 nan 0.000 0.483 567 V N 1.843 121.572 119.914 -0.309 0.000 2.487 567 V HA 0.859 4.973 4.120 -0.009 0.000 0.298 567 V C -0.807 174.995 176.094 -0.488 0.000 1.028 567 V CA -0.566 61.354 62.300 -0.633 0.000 0.860 567 V CB 1.239 32.426 31.823 -1.061 0.000 0.991 567 V HN 0.807 nan 8.190 nan 0.000 0.427 568 K N 2.507 122.675 120.400 -0.388 0.000 3.040 568 K HA 0.388 4.703 4.320 -0.009 0.000 0.300 568 K C -1.310 175.293 176.600 0.005 0.000 1.092 568 K CA -1.136 55.115 56.287 -0.060 0.000 0.831 568 K CB 0.915 33.374 32.500 -0.069 0.000 1.469 568 K HN 0.456 nan 8.250 nan 0.000 0.365 569 R N 0.899 121.459 120.500 0.101 0.000 2.698 569 R HA 0.170 4.505 4.340 -0.009 0.000 0.266 569 R C 0.376 176.695 176.300 0.031 0.000 1.026 569 R CA -0.323 55.842 56.100 0.109 0.000 1.102 569 R CB -0.154 30.257 30.300 0.185 0.000 0.978 569 R HN 0.460 nan 8.270 nan 0.000 0.436 570 I N 4.535 125.098 120.570 -0.013 0.000 2.517 570 I HA 0.078 4.242 4.170 -0.009 0.000 0.285 570 I C 0.717 176.722 176.117 -0.188 0.000 1.106 570 I CA 0.655 61.899 61.300 -0.094 0.000 1.402 570 I CB -0.305 37.636 38.000 -0.100 0.000 1.399 570 I HN 0.268 nan 8.210 nan 0.000 0.535 571 H N 4.478 123.452 119.070 -0.159 0.000 2.996 571 H HA 0.236 4.787 4.556 -0.009 0.000 0.368 571 H C 0.456 175.666 175.328 -0.196 0.000 1.185 571 H CA -0.459 55.532 56.048 -0.096 0.000 1.160 571 H CB 2.062 31.677 29.762 -0.244 0.000 1.820 571 H HN 0.527 nan 8.280 nan 0.000 0.547 572 E N 1.405 121.684 120.200 0.131 0.000 2.106 572 E HA -0.194 4.151 4.350 -0.009 0.000 0.192 572 E C 1.412 177.759 176.600 -0.423 0.000 0.984 572 E CA 1.346 57.742 56.400 -0.007 0.000 0.806 572 E CB 0.032 29.921 29.700 0.315 0.000 0.750 572 E HN 0.561 nan 8.360 nan 0.000 0.458 573 Y N 1.023 120.776 120.300 -0.911 0.000 2.352 573 Y HA -0.030 4.515 4.550 -0.009 0.000 0.292 573 Y C 1.510 177.114 175.900 -0.493 0.000 1.136 573 Y CA 0.860 58.209 58.100 -1.252 0.000 1.227 573 Y CB -0.103 37.670 38.460 -1.144 0.000 0.991 573 Y HN -0.211 nan 8.280 nan 0.000 0.545 574 K N 0.742 120.640 120.400 -0.837 0.000 2.432 574 K HA 0.063 4.378 4.320 -0.009 0.000 0.196 574 K C 0.142 176.556 176.600 -0.309 0.000 1.038 574 K CA 0.447 56.375 56.287 -0.599 0.000 0.986 574 K CB -0.046 32.106 32.500 -0.579 0.000 0.782 574 K HN 0.264 nan 8.250 nan 0.000 0.485 575 R N 0.635 120.980 120.500 -0.257 0.000 3.333 575 R HA -0.229 4.106 4.340 -0.009 0.000 0.256 575 R C 0.273 176.489 176.300 -0.141 0.000 1.010 575 R CA 0.151 56.157 56.100 -0.158 0.000 0.680 575 R CB -1.682 28.543 30.300 -0.125 0.000 1.102 575 R HN 0.287 nan 8.270 nan 0.000 0.440 576 Q N 0.243 119.960 119.800 -0.139 0.000 2.297 576 Q HA -0.055 4.280 4.340 -0.009 0.000 0.208 576 Q C 1.983 177.930 176.000 -0.089 0.000 0.981 576 Q CA 1.312 57.047 55.803 -0.114 0.000 0.876 576 Q CB 0.039 28.713 28.738 -0.106 0.000 0.921 576 Q HN 0.587 nan 8.270 nan 0.000 0.446 577 L N -0.627 120.547 121.223 -0.083 0.000 2.083 577 L HA -0.180 4.154 4.340 -0.009 0.000 0.209 577 L C 1.978 178.842 176.870 -0.010 0.000 1.083 577 L CA 0.555 55.361 54.840 -0.058 0.000 0.752 577 L CB -0.332 41.702 42.059 -0.042 0.000 0.899 577 L HN 0.311 nan 8.230 nan 0.000 0.433 578 L N -0.022 121.187 121.223 -0.023 0.000 2.093 578 L HA -0.225 4.110 4.340 -0.009 0.000 0.208 578 L C 2.007 178.919 176.870 0.069 0.000 1.085 578 L CA 1.864 56.703 54.840 -0.003 0.000 0.755 578 L CB -0.808 41.142 42.059 -0.181 0.000 0.904 578 L HN 0.283 nan 8.230 nan 0.000 0.435 579 N N -1.736 116.974 118.700 0.016 0.000 2.120 579 N HA -0.224 4.511 4.740 -0.009 0.000 0.188 579 N C 1.937 177.525 175.510 0.129 0.000 1.024 579 N CA 1.536 54.671 53.050 0.142 0.000 0.852 579 N CB -0.126 38.378 38.487 0.027 0.000 1.003 579 N HN 0.484 nan 8.380 nan 0.000 0.424 580 C N 0.581 119.893 119.300 0.020 0.000 2.413 580 C HA -0.070 4.385 4.460 -0.009 0.000 0.276 580 C C 2.583 177.563 174.990 -0.017 0.000 1.248 580 C CA 0.382 59.365 59.018 -0.057 0.000 1.742 580 C CB -1.255 26.399 27.740 -0.144 0.000 2.017 580 C HN 0.513 nan 8.230 nan 0.000 0.481 581 L N -0.348 120.923 121.223 0.082 0.000 2.083 581 L HA -0.202 4.132 4.340 -0.009 0.000 0.209 581 L C 2.749 179.767 176.870 0.248 0.000 1.083 581 L CA 1.744 56.678 54.840 0.156 0.000 0.752 581 L CB -1.007 41.210 42.059 0.264 0.000 0.899 581 L HN 0.599 nan 8.230 nan 0.000 0.433 582 H N -0.061 119.118 119.070 0.181 0.000 2.326 582 H HA -0.128 4.423 4.556 -0.009 0.000 0.301 582 H C 2.251 177.573 175.328 -0.011 0.000 1.081 582 H CA 1.868 57.949 56.048 0.053 0.000 1.334 582 H CB 0.316 30.049 29.762 -0.049 0.000 1.385 582 H HN 0.088 nan 8.280 nan 0.000 0.504 583 V N 1.739 121.574 119.914 -0.131 0.000 2.324 583 V HA -0.292 3.823 4.120 -0.009 0.000 0.250 583 V C 2.835 178.852 176.094 -0.128 0.000 1.060 583 V CA 1.967 64.151 62.300 -0.194 0.000 1.042 583 V CB -0.544 31.210 31.823 -0.114 0.000 0.650 583 V HN 0.408 nan 8.190 nan 0.000 0.450 584 I N -0.242 120.285 120.570 -0.071 0.000 2.315 584 I HA -0.212 3.953 4.170 -0.009 0.000 0.248 584 I C 2.501 178.655 176.117 0.061 0.000 1.117 584 I CA 1.676 62.994 61.300 0.030 0.000 1.404 584 I CB -0.720 37.275 38.000 -0.009 0.000 1.071 584 I HN 0.325 nan 8.210 nan 0.000 0.419 585 T N 1.296 115.846 114.554 -0.008 0.000 2.708 585 T HA -0.142 4.202 4.350 -0.009 0.000 0.266 585 T C 1.878 176.520 174.700 -0.096 0.000 1.037 585 T CA 1.241 63.330 62.100 -0.017 0.000 1.146 585 T CB -0.227 68.659 68.868 0.029 0.000 0.865 585 T HN 0.081 nan 8.240 nan 0.000 0.435 586 L N 0.044 121.139 121.223 -0.213 0.000 2.046 586 L HA -0.004 4.331 4.340 -0.009 0.000 0.208 586 L C 2.071 178.893 176.870 -0.079 0.000 1.077 586 L CA 1.528 56.244 54.840 -0.207 0.000 0.747 586 L CB -0.993 40.876 42.059 -0.318 0.000 0.896 586 L HN 0.361 nan 8.230 nan 0.000 0.432 587 Y N 0.292 120.519 120.300 -0.122 0.000 2.145 587 Y HA -0.278 4.266 4.550 -0.009 0.000 0.286 587 Y C 2.444 178.313 175.900 -0.050 0.000 1.145 587 Y CA 1.800 59.866 58.100 -0.055 0.000 1.148 587 Y CB -0.087 38.382 38.460 0.015 0.000 0.981 587 Y HN 0.262 nan 8.280 nan 0.000 0.507 588 N N 0.480 119.134 118.700 -0.076 0.000 2.166 588 N HA -0.145 4.590 4.740 -0.009 0.000 0.186 588 N C 1.808 177.207 175.510 -0.186 0.000 1.019 588 N CA 1.483 54.427 53.050 -0.177 0.000 0.856 588 N CB -0.368 38.073 38.487 -0.077 0.000 0.993 588 N HN 0.450 nan 8.380 nan 0.000 0.426 589 R N 0.361 120.776 120.500 -0.141 0.000 2.115 589 R HA 0.087 4.422 4.340 -0.009 0.000 0.230 589 R C 2.171 178.384 176.300 -0.146 0.000 1.111 589 R CA 0.679 56.703 56.100 -0.126 0.000 0.976 589 R CB -0.171 30.064 30.300 -0.109 0.000 0.870 589 R HN 0.251 nan 8.270 nan 0.000 0.445 590 I N 0.830 121.290 120.570 -0.184 0.000 2.286 590 I HA -0.237 3.928 4.170 -0.009 0.000 0.245 590 I C 2.015 178.013 176.117 -0.199 0.000 1.104 590 I CA 1.088 62.281 61.300 -0.179 0.000 1.397 590 I CB -0.141 37.751 38.000 -0.179 0.000 1.072 590 I HN 0.009 nan 8.210 nan 0.000 0.417 591 K N 0.879 121.098 120.400 -0.301 0.000 2.209 591 K HA -0.200 4.114 4.320 -0.009 0.000 0.204 591 K C 2.016 178.519 176.600 -0.161 0.000 1.048 591 K CA 1.102 57.227 56.287 -0.269 0.000 0.940 591 K CB -0.275 31.992 32.500 -0.389 0.000 0.729 591 K HN 0.136 nan 8.250 nan 0.000 0.451 592 K N 1.702 122.015 120.400 -0.146 0.000 2.062 592 K HA -0.066 4.249 4.320 -0.009 0.000 0.205 592 K C 0.069 176.624 176.600 -0.076 0.000 1.051 592 K CA 1.239 57.467 56.287 -0.099 0.000 0.941 592 K CB 0.345 32.790 32.500 -0.092 0.000 0.719 592 K HN 0.063 nan 8.250 nan 0.000 0.440 593 E N 0.118 120.271 120.200 -0.079 0.000 3.132 593 E HA 0.165 4.509 4.350 -0.009 0.000 0.241 593 E C -2.327 174.239 176.600 -0.057 0.000 1.196 593 E CA -1.610 54.757 56.400 -0.056 0.000 0.869 593 E CB 1.609 31.282 29.700 -0.046 0.000 1.387 593 E HN 0.076 nan 8.360 nan 0.000 0.393 594 P HA -0.168 nan 4.420 nan 0.000 0.216 594 P C 0.173 177.458 177.300 -0.024 0.000 1.150 594 P CA 1.268 64.339 63.100 -0.049 0.000 0.843 594 P CB 0.165 31.840 31.700 -0.043 0.000 0.787 595 N N -1.045 117.649 118.700 -0.010 0.000 2.327 595 N HA 0.025 4.760 4.740 -0.009 0.000 0.231 595 N C 0.351 175.879 175.510 0.030 0.000 1.130 595 N CA -0.091 52.967 53.050 0.012 0.000 0.845 595 N CB 0.003 38.496 38.487 0.010 0.000 1.073 595 N HN 0.016 nan 8.380 nan 0.000 0.496 596 K N 1.151 121.563 120.400 0.020 0.000 2.138 596 K HA 0.192 4.507 4.320 -0.009 0.000 0.263 596 K C -1.003 175.640 176.600 0.073 0.000 0.965 596 K CA -0.624 55.688 56.287 0.042 0.000 0.868 596 K CB 0.805 33.307 32.500 0.004 0.000 1.083 596 K HN -0.053 nan 8.250 nan 0.000 0.443 597 F N 4.222 124.158 119.950 -0.024 0.000 2.429 597 F HA 0.281 4.802 4.527 -0.009 0.000 0.348 597 F C -0.430 175.355 175.800 -0.026 0.000 1.109 597 F CA -0.034 57.953 58.000 -0.022 0.000 1.232 597 F CB 0.700 39.690 39.000 -0.017 0.000 1.157 597 F HN 0.207 nan 8.300 nan 0.000 0.564 598 V N 3.623 122.877 119.914 -1.100 0.000 3.012 598 V HA 0.508 4.623 4.120 -0.009 0.000 0.307 598 V C -0.950 174.485 176.094 -1.099 0.000 1.166 598 V CA -1.256 60.553 62.300 -0.818 0.000 0.974 598 V CB 0.849 32.432 31.823 -0.400 0.000 1.040 598 V HN 0.602 nan 8.190 nan 0.000 0.428 599 V N 4.401 123.939 119.914 -0.627 0.000 2.493 599 V HA 0.202 4.316 4.120 -0.009 0.000 0.292 599 V C -1.835 174.089 176.094 -0.283 0.000 1.016 599 V CA -0.434 61.657 62.300 -0.349 0.000 1.097 599 V CB 0.462 32.210 31.823 -0.125 0.000 0.947 599 V HN 0.901 nan 8.190 nan 0.000 0.479 600 P HA 0.335 nan 4.420 nan 0.000 0.268 600 P C -0.483 176.732 177.300 -0.141 0.000 1.205 600 P CA -0.005 63.016 63.100 -0.131 0.000 0.771 600 P CB 0.517 32.194 31.700 -0.039 0.000 0.858 601 R N 0.914 121.342 120.500 -0.120 0.000 2.698 601 R HA 0.612 4.946 4.340 -0.009 0.000 0.275 601 R C -0.928 175.331 176.300 -0.069 0.000 1.001 601 R CA -0.669 55.360 56.100 -0.118 0.000 0.896 601 R CB 1.920 32.129 30.300 -0.151 0.000 1.218 601 R HN 0.246 nan 8.270 nan 0.000 0.462 602 T N 1.792 116.319 114.554 -0.044 0.000 2.864 602 T HA 0.252 4.596 4.350 -0.009 0.000 0.310 602 T C -0.567 174.048 174.700 -0.142 0.000 1.040 602 T CA -0.506 61.530 62.100 -0.107 0.000 0.977 602 T CB 1.107 69.858 68.868 -0.196 0.000 0.976 602 T HN 0.138 nan 8.240 nan 0.000 0.459 603 V N 5.839 125.676 119.914 -0.129 0.000 2.385 603 V HA 0.413 4.528 4.120 -0.009 0.000 0.269 603 V C 0.093 176.102 176.094 -0.141 0.000 1.043 603 V CA -0.360 61.867 62.300 -0.121 0.000 0.906 603 V CB 0.643 32.411 31.823 -0.092 0.000 0.995 603 V HN 0.846 nan 8.190 nan 0.000 0.467 604 M N 6.648 126.152 119.600 -0.160 0.000 2.227 604 M HA 0.613 5.088 4.480 -0.009 0.000 0.335 604 M C -0.952 175.227 176.300 -0.201 0.000 1.053 604 M CA -0.151 55.042 55.300 -0.178 0.000 0.973 604 M CB 1.919 34.412 32.600 -0.179 0.000 1.623 604 M HN 0.422 nan 8.290 nan 0.000 0.434 605 I N 1.920 122.344 120.570 -0.243 0.000 2.498 605 I HA 0.808 4.973 4.170 -0.009 0.000 0.290 605 I C 0.022 175.779 176.117 -0.600 0.000 1.032 605 I CA -0.619 60.504 61.300 -0.296 0.000 1.073 605 I CB 2.297 40.211 38.000 -0.145 0.000 1.251 605 I HN 0.801 nan 8.210 nan 0.000 0.426 606 G N 3.002 111.428 108.800 -0.622 0.000 2.690 606 G HA2 0.842 4.796 3.960 -0.009 0.000 0.293 606 G HA3 0.842 4.796 3.960 -0.009 0.000 0.293 606 G C -1.023 173.588 174.900 -0.481 0.000 1.399 606 G CA -0.770 43.830 45.100 -0.834 0.000 0.890 606 G HN 0.985 nan 8.290 nan 0.000 0.485 607 G N -0.391 108.289 108.800 -0.200 0.000 2.352 607 G HA2 0.409 4.364 3.960 -0.009 0.000 0.303 607 G HA3 0.409 4.364 3.960 -0.009 0.000 0.303 607 G C -1.255 173.775 174.900 0.218 0.000 1.593 607 G CA -1.028 44.115 45.100 0.071 0.000 0.963 607 G HN 0.611 nan 8.290 nan 0.000 0.685 608 K N -0.146 120.372 120.400 0.198 0.000 2.098 608 K HA 0.771 5.085 4.320 -0.009 0.000 0.258 608 K C 0.213 176.930 176.600 0.194 0.000 0.973 608 K CA -0.225 56.194 56.287 0.220 0.000 0.898 608 K CB 2.072 34.607 32.500 0.058 0.000 1.057 608 K HN 0.881 nan 8.250 nan 0.000 0.447 609 A N 1.230 124.200 122.820 0.250 0.000 2.337 609 A HA 0.657 4.971 4.320 -0.009 0.000 0.329 609 A C -0.545 177.190 177.584 0.252 0.000 1.146 609 A CA -0.766 51.347 52.037 0.127 0.000 0.800 609 A CB 1.134 20.137 19.000 0.004 0.000 1.220 609 A HN 0.767 nan 8.150 nan 0.000 0.472 610 A N 3.291 126.234 122.820 0.205 0.000 2.511 610 A HA 0.486 4.800 4.320 -0.009 0.000 0.242 610 A C -1.425 176.236 177.584 0.129 0.000 1.069 610 A CA -0.835 51.340 52.037 0.230 0.000 0.763 610 A CB -0.373 18.733 19.000 0.177 0.000 1.001 610 A HN 0.595 nan 8.150 nan 0.000 0.498 611 P HA -0.160 nan 4.420 nan 0.000 0.217 611 P C 1.297 178.590 177.300 -0.010 0.000 1.151 611 P CA 2.067 65.113 63.100 -0.091 0.000 0.849 611 P CB 0.204 31.799 31.700 -0.175 0.000 0.787 612 G N -3.083 105.736 108.800 0.032 0.000 3.189 612 G HA2 -0.070 3.884 3.960 -0.009 0.000 0.225 612 G HA3 -0.070 3.884 3.960 -0.009 0.000 0.225 612 G C -0.252 174.695 174.900 0.078 0.000 1.159 612 G CA -0.124 45.002 45.100 0.042 0.000 0.763 612 G HN 0.311 nan 8.290 nan 0.000 0.549 613 Y N 1.660 121.910 120.300 -0.082 0.000 2.691 613 Y HA 0.190 4.734 4.550 -0.009 0.000 0.338 613 Y C 1.631 177.524 175.900 -0.012 0.000 1.148 613 Y CA -1.098 56.937 58.100 -0.108 0.000 1.430 613 Y CB 0.111 38.466 38.460 -0.176 0.000 1.303 613 Y HN 0.307 nan 8.280 nan 0.000 0.499 614 H N 4.012 123.200 119.070 0.197 0.000 2.289 614 H HA -0.242 4.308 4.556 -0.009 0.000 0.296 614 H C 1.827 177.183 175.328 0.047 0.000 1.091 614 H CA 2.481 58.591 56.048 0.104 0.000 1.274 614 H CB 0.328 30.152 29.762 0.102 0.000 1.364 614 H HN 0.719 nan 8.280 nan 0.000 0.490 615 M N 1.011 120.629 119.600 0.031 0.000 2.149 615 M HA -0.099 4.375 4.480 -0.009 0.000 0.261 615 M C 2.540 178.609 176.300 -0.384 0.000 1.064 615 M CA 1.854 57.083 55.300 -0.119 0.000 1.102 615 M CB -0.733 31.934 32.600 0.112 0.000 1.369 615 M HN 0.353 nan 8.290 nan 0.000 0.408 616 A N -0.525 121.819 122.820 -0.792 0.000 1.933 616 A HA -0.187 4.127 4.320 -0.009 0.000 0.218 616 A C 2.202 179.570 177.584 -0.360 0.000 1.175 616 A CA 1.839 53.425 52.037 -0.752 0.000 0.628 616 A CB -0.625 17.705 19.000 -1.117 0.000 0.814 616 A HN 0.584 nan 8.150 nan 0.000 0.444 617 K N -1.164 119.076 120.400 -0.266 0.000 2.155 617 K HA -0.009 4.306 4.320 -0.009 0.000 0.203 617 K C 1.848 178.378 176.600 -0.116 0.000 1.052 617 K CA 1.084 57.299 56.287 -0.120 0.000 0.948 617 K CB -0.167 32.323 32.500 -0.016 0.000 0.728 617 K HN 0.338 nan 8.250 nan 0.000 0.448 618 M N 0.442 119.925 119.600 -0.194 0.000 2.254 618 M HA -0.049 4.426 4.480 -0.009 0.000 0.265 618 M C 2.035 178.261 176.300 -0.123 0.000 1.066 618 M CA 1.314 56.539 55.300 -0.125 0.000 1.123 618 M CB -0.503 32.020 32.600 -0.128 0.000 1.388 618 M HN 0.123 nan 8.290 nan 0.000 0.425 619 I N -0.222 120.244 120.570 -0.172 0.000 2.315 619 I HA -0.291 3.874 4.170 -0.009 0.000 0.248 619 I C 2.261 178.256 176.117 -0.204 0.000 1.117 619 I CA 1.013 62.207 61.300 -0.177 0.000 1.404 619 I CB -0.262 37.631 38.000 -0.177 0.000 1.071 619 I HN 0.167 nan 8.210 nan 0.000 0.419 620 I N 0.703 121.133 120.570 -0.233 0.000 2.179 620 I HA -0.302 3.862 4.170 -0.009 0.000 0.242 620 I C 2.600 178.450 176.117 -0.445 0.000 1.088 620 I CA 1.236 62.320 61.300 -0.360 0.000 1.357 620 I CB -0.306 37.451 38.000 -0.405 0.000 1.051 620 I HN 0.152 nan 8.210 nan 0.000 0.409 621 K N 1.568 121.703 120.400 -0.443 0.000 2.097 621 K HA -0.158 4.156 4.320 -0.009 0.000 0.206 621 K C 2.033 178.476 176.600 -0.262 0.000 1.049 621 K CA 1.495 57.440 56.287 -0.570 0.000 0.933 621 K CB -0.573 31.295 32.500 -1.053 0.000 0.717 621 K HN 0.246 nan 8.250 nan 0.000 0.442 622 L N 0.322 121.430 121.223 -0.191 0.000 2.017 622 L HA -0.152 4.182 4.340 -0.009 0.000 0.208 622 L C 2.164 178.806 176.870 -0.381 0.000 1.073 622 L CA 1.652 56.225 54.840 -0.445 0.000 0.745 622 L CB -0.264 41.449 42.059 -0.577 0.000 0.894 622 L HN 0.261 nan 8.230 nan 0.000 0.432 623 I N -0.118 120.283 120.570 -0.282 0.000 2.179 623 I HA -0.328 3.837 4.170 -0.009 0.000 0.242 623 I C 2.618 178.636 176.117 -0.165 0.000 1.088 623 I CA 1.926 63.111 61.300 -0.192 0.000 1.357 623 I CB -0.601 37.373 38.000 -0.042 0.000 1.051 623 I HN 0.428 nan 8.210 nan 0.000 0.409 624 T N -0.908 113.523 114.554 -0.205 0.000 2.867 624 T HA -0.035 4.310 4.350 -0.009 0.000 0.268 624 T C 1.961 176.599 174.700 -0.103 0.000 1.057 624 T CA 0.885 62.894 62.100 -0.153 0.000 1.136 624 T CB -0.396 68.335 68.868 -0.227 0.000 0.874 624 T HN 0.337 nan 8.240 nan 0.000 0.466 625 A N 1.448 124.204 122.820 -0.108 0.000 1.930 625 A HA 0.174 4.488 4.320 -0.009 0.000 0.217 625 A C 2.367 179.960 177.584 0.016 0.000 1.175 625 A CA 1.134 53.175 52.037 0.007 0.000 0.627 625 A CB -0.771 18.322 19.000 0.155 0.000 0.815 625 A HN 0.583 nan 8.150 nan 0.000 0.443 626 I N -0.360 120.111 120.570 -0.166 0.000 2.202 626 I HA -0.191 3.974 4.170 -0.009 0.000 0.242 626 I C 2.719 178.787 176.117 -0.081 0.000 1.091 626 I CA 1.127 62.300 61.300 -0.213 0.000 1.368 626 I CB -0.625 37.134 38.000 -0.402 0.000 1.058 626 I HN 0.396 nan 8.210 nan 0.000 0.410 627 G N 0.431 109.178 108.800 -0.088 0.000 2.440 627 G HA2 -0.265 3.690 3.960 -0.009 0.000 0.218 627 G HA3 -0.265 3.690 3.960 -0.009 0.000 0.218 627 G C 1.232 176.106 174.900 -0.043 0.000 1.154 627 G CA 0.979 46.035 45.100 -0.074 0.000 0.767 627 G HN 0.282 nan 8.290 nan 0.000 0.552 628 D N 0.036 120.456 120.400 0.035 0.000 2.149 628 D HA -0.093 4.541 4.640 -0.009 0.000 0.198 628 D C 2.712 179.133 176.300 0.201 0.000 0.990 628 D CA 0.789 54.884 54.000 0.158 0.000 0.839 628 D CB -0.248 40.622 40.800 0.117 0.000 0.948 628 D HN 0.255 nan 8.370 nan 0.000 0.460 629 V N 0.083 120.051 119.914 0.090 0.000 2.331 629 V HA -0.132 3.983 4.120 -0.009 0.000 0.242 629 V C 2.580 178.652 176.094 -0.037 0.000 1.034 629 V CA 0.755 63.070 62.300 0.024 0.000 1.027 629 V CB -0.292 31.529 31.823 -0.003 0.000 0.667 629 V HN 0.034 nan 8.190 nan 0.000 0.457 630 V N 0.987 120.820 119.914 -0.135 0.000 2.295 630 V HA -0.201 3.913 4.120 -0.009 0.000 0.246 630 V C 2.130 178.193 176.094 -0.052 0.000 1.049 630 V CA 1.998 64.222 62.300 -0.127 0.000 1.024 630 V CB -0.873 30.860 31.823 -0.150 0.000 0.648 630 V HN 0.574 nan 8.190 nan 0.000 0.447 631 N N -0.295 118.302 118.700 -0.171 0.000 2.550 631 N HA -0.093 4.642 4.740 -0.009 0.000 0.186 631 N C 1.160 176.419 175.510 -0.418 0.000 1.110 631 N CA 0.934 53.798 53.050 -0.310 0.000 0.912 631 N CB -0.269 37.952 38.487 -0.443 0.000 0.968 631 N HN 0.699 nan 8.380 nan 0.000 0.448 632 H N -1.500 117.589 119.070 0.032 0.000 2.784 632 H HA 0.187 4.737 4.556 -0.009 0.000 0.273 632 H C -0.484 174.873 175.328 0.048 0.000 1.112 632 H CA -0.489 55.578 56.048 0.032 0.000 1.162 632 H CB 0.706 30.476 29.762 0.013 0.000 1.586 632 H HN -0.020 nan 8.280 nan 0.000 0.548 633 D N 1.713 122.203 120.400 0.150 0.000 2.339 633 D HA 0.043 4.678 4.640 -0.009 0.000 0.241 633 D C -1.663 174.704 176.300 0.113 0.000 1.183 633 D CA -2.077 52.020 54.000 0.161 0.000 0.859 633 D CB 1.602 42.571 40.800 0.281 0.000 1.067 633 D HN 0.087 nan 8.370 nan 0.000 0.484 634 P HA -0.172 nan 4.420 nan 0.000 0.216 634 P C 1.589 178.917 177.300 0.046 0.000 1.153 634 P CA 0.591 63.727 63.100 0.060 0.000 0.858 634 P CB 0.381 32.110 31.700 0.048 0.000 0.789 635 V N -0.803 119.136 119.914 0.041 0.000 2.490 635 V HA -0.181 3.933 4.120 -0.009 0.000 0.250 635 V C 2.391 178.491 176.094 0.010 0.000 1.061 635 V CA 1.567 63.876 62.300 0.015 0.000 1.064 635 V CB -1.034 30.784 31.823 -0.008 0.000 0.670 635 V HN -0.004 nan 8.190 nan 0.000 0.461 636 V N -0.348 119.589 119.914 0.038 0.000 2.323 636 V HA 0.141 4.255 4.120 -0.009 0.000 0.244 636 V C 1.767 177.877 176.094 0.026 0.000 1.041 636 V CA 1.525 63.847 62.300 0.037 0.000 1.025 636 V CB -1.164 30.724 31.823 0.108 0.000 0.656 636 V HN 0.738 nan 8.190 nan 0.000 0.451 637 G N 1.415 110.237 108.800 0.037 0.000 2.547 637 G HA2 -0.388 3.566 3.960 -0.009 0.000 0.271 637 G HA3 -0.388 3.566 3.960 -0.009 0.000 0.271 637 G C 0.197 175.113 174.900 0.028 0.000 1.209 637 G CA 0.531 45.651 45.100 0.033 0.000 0.959 637 G HN 0.742 nan 8.290 nan 0.000 0.563 638 D N -0.185 120.233 120.400 0.030 0.000 2.395 638 D HA 0.343 4.978 4.640 -0.009 0.000 0.226 638 D C 1.829 178.132 176.300 0.006 0.000 1.146 638 D CA 0.201 54.217 54.000 0.027 0.000 0.830 638 D CB 0.137 40.967 40.800 0.051 0.000 0.958 638 D HN 0.572 nan 8.370 nan 0.000 0.501 639 R N -0.542 119.952 120.500 -0.009 0.000 2.200 639 R HA 0.262 4.596 4.340 -0.009 0.000 0.208 639 R C -0.157 176.107 176.300 -0.061 0.000 1.033 639 R CA 0.305 56.377 56.100 -0.047 0.000 1.000 639 R CB 0.193 30.453 30.300 -0.066 0.000 0.906 639 R HN 0.198 nan 8.270 nan 0.000 0.462 640 L N 0.540 121.742 121.223 -0.036 0.000 2.562 640 L HA 0.394 4.729 4.340 -0.009 0.000 0.266 640 L C -1.665 175.183 176.870 -0.038 0.000 0.949 640 L CA -0.551 54.264 54.840 -0.042 0.000 0.879 640 L CB 1.694 43.738 42.059 -0.026 0.000 1.278 640 L HN -0.167 nan 8.230 nan 0.000 0.404 641 R N 3.577 124.039 120.500 -0.063 0.000 2.750 641 R HA 0.824 5.158 4.340 -0.009 0.000 0.281 641 R C -1.535 174.708 176.300 -0.095 0.000 0.972 641 R CA -0.865 55.186 56.100 -0.081 0.000 0.912 641 R CB 2.406 32.651 30.300 -0.091 0.000 1.187 641 R HN 0.399 nan 8.270 nan 0.000 0.464 642 V N 4.530 124.385 119.914 -0.098 0.000 2.380 642 V HA 0.408 4.522 4.120 -0.009 0.000 0.286 642 V C -0.373 175.674 176.094 -0.079 0.000 1.015 642 V CA -0.688 61.556 62.300 -0.094 0.000 0.834 642 V CB 1.684 33.450 31.823 -0.096 0.000 1.009 642 V HN 0.481 nan 8.190 nan 0.000 0.428 643 I N 4.738 125.258 120.570 -0.083 0.000 2.433 643 I HA 0.437 4.601 4.170 -0.009 0.000 0.292 643 I C -0.577 175.514 176.117 -0.043 0.000 1.001 643 I CA -0.683 60.580 61.300 -0.063 0.000 1.119 643 I CB 1.768 39.704 38.000 -0.107 0.000 1.289 643 I HN 0.549 nan 8.210 nan 0.000 0.438 644 F N 6.938 126.823 119.950 -0.109 0.000 2.385 644 F HA 0.416 4.938 4.527 -0.009 0.000 0.360 644 F C -0.358 175.377 175.800 -0.108 0.000 1.122 644 F CA -0.743 57.194 58.000 -0.105 0.000 1.090 644 F CB 0.822 39.764 39.000 -0.098 0.000 1.150 644 F HN 0.177 nan 8.300 nan 0.000 0.472 645 L N 5.957 126.772 121.223 -0.680 0.000 2.407 645 L HA 0.140 4.475 4.340 -0.009 0.000 0.282 645 L C 0.382 176.988 176.870 -0.439 0.000 1.110 645 L CA 0.223 54.797 54.840 -0.443 0.000 0.863 645 L CB -0.055 41.822 42.059 -0.303 0.000 1.207 645 L HN 0.618 nan 8.230 nan 0.000 0.454 646 E N 3.192 123.280 120.200 -0.187 0.000 2.373 646 E HA -0.029 4.316 4.350 -0.009 0.000 0.267 646 E C 0.535 177.187 176.600 0.086 0.000 1.032 646 E CA -0.225 56.209 56.400 0.056 0.000 0.889 646 E CB 0.306 30.012 29.700 0.011 0.000 0.984 646 E HN 0.538 nan 8.360 nan 0.000 0.425 647 N N 2.566 121.387 118.700 0.201 0.000 2.725 647 N HA -0.287 4.448 4.740 -0.009 0.000 0.251 647 N C -1.504 174.100 175.510 0.157 0.000 1.031 647 N CA 0.534 53.697 53.050 0.189 0.000 0.720 647 N CB -1.486 37.130 38.487 0.215 0.000 0.930 647 N HN 0.462 nan 8.380 nan 0.000 0.543 648 Y N 1.435 121.744 120.300 0.015 0.000 2.717 648 Y HA 0.162 4.706 4.550 -0.009 0.000 0.330 648 Y C 1.156 177.075 175.900 0.030 0.000 1.217 648 Y CA 0.666 58.759 58.100 -0.011 0.000 1.506 648 Y CB 0.316 38.736 38.460 -0.067 0.000 1.268 648 Y HN 0.396 nan 8.280 nan 0.000 0.561 649 R N 2.356 122.514 120.500 -0.571 0.000 2.762 649 R HA 0.452 4.787 4.340 -0.009 0.000 0.271 649 R C -0.429 175.540 176.300 -0.551 0.000 1.038 649 R CA -0.578 55.276 56.100 -0.408 0.000 0.906 649 R CB 0.278 30.544 30.300 -0.056 0.000 1.259 649 R HN 0.348 nan 8.270 nan 0.000 0.457 650 V N 1.108 120.733 119.914 -0.483 0.000 2.255 650 V HA -0.294 3.821 4.120 -0.009 0.000 0.247 650 V C 2.573 178.545 176.094 -0.202 0.000 1.051 650 V CA 2.859 64.927 62.300 -0.386 0.000 1.018 650 V CB -0.835 30.714 31.823 -0.456 0.000 0.641 650 V HN 0.928 nan 8.190 nan 0.000 0.445 651 S N 0.001 115.612 115.700 -0.149 0.000 2.419 651 S HA -0.180 4.284 4.470 -0.009 0.000 0.233 651 S C 1.902 176.459 174.600 -0.071 0.000 1.016 651 S CA 1.686 59.829 58.200 -0.096 0.000 0.974 651 S CB -0.502 62.676 63.200 -0.036 0.000 0.786 651 S HN 0.396 nan 8.310 nan 0.000 0.492 652 L N 1.839 123.019 121.223 -0.071 0.000 2.131 652 L HA 0.367 4.702 4.340 -0.009 0.000 0.206 652 L C 2.660 179.533 176.870 0.004 0.000 1.087 652 L CA 1.332 56.167 54.840 -0.009 0.000 0.767 652 L CB -1.296 40.807 42.059 0.073 0.000 0.917 652 L HN 0.332 nan 8.230 nan 0.000 0.441 653 A N -0.614 122.189 122.820 -0.030 0.000 1.908 653 A HA -0.238 4.077 4.320 -0.009 0.000 0.218 653 A C 2.114 179.750 177.584 0.088 0.000 1.181 653 A CA 1.832 53.930 52.037 0.102 0.000 0.627 653 A CB -0.628 18.426 19.000 0.090 0.000 0.818 653 A HN 0.595 nan 8.150 nan 0.000 0.445 654 E N -0.473 119.760 120.200 0.054 0.000 2.265 654 E HA -0.169 4.175 4.350 -0.009 0.000 0.196 654 E C 1.847 178.408 176.600 -0.066 0.000 0.996 654 E CA 1.201 57.588 56.400 -0.022 0.000 0.832 654 E CB -0.054 29.546 29.700 -0.166 0.000 0.756 654 E HN 0.629 nan 8.360 nan 0.000 0.491 655 K N -0.058 120.285 120.400 -0.095 0.000 2.190 655 K HA 0.035 4.349 4.320 -0.009 0.000 0.202 655 K C 2.122 178.521 176.600 -0.335 0.000 1.045 655 K CA 0.370 56.581 56.287 -0.126 0.000 0.976 655 K CB 0.112 32.539 32.500 -0.122 0.000 0.849 655 K HN -0.049 nan 8.250 nan 0.000 0.468 656 V N 1.799 121.428 119.914 -0.476 0.000 2.488 656 V HA -0.107 4.007 4.120 -0.009 0.000 0.246 656 V C 1.846 177.669 176.094 -0.453 0.000 1.046 656 V CA 1.171 62.961 62.300 -0.849 0.000 1.053 656 V CB -0.144 31.307 31.823 -0.621 0.000 0.679 656 V HN 0.234 nan 8.190 nan 0.000 0.458 657 I N 0.735 121.100 120.570 -0.342 0.000 2.226 657 I HA -0.126 4.039 4.170 -0.009 0.000 0.245 657 I C -0.279 175.702 176.117 -0.226 0.000 1.100 657 I CA 1.607 62.634 61.300 -0.455 0.000 1.374 657 I CB -1.482 36.139 38.000 -0.631 0.000 1.057 657 I HN 0.369 nan 8.210 nan 0.000 0.413 658 P HA -0.095 nan 4.420 nan 0.000 0.225 658 P C 0.896 178.182 177.300 -0.023 0.000 1.148 658 P CA 1.116 64.183 63.100 -0.056 0.000 0.779 658 P CB 0.066 31.744 31.700 -0.036 0.000 0.780 659 A N -1.267 121.519 122.820 -0.056 0.000 2.308 659 A HA 0.501 4.815 4.320 -0.009 0.000 0.217 659 A C 1.128 178.806 177.584 0.156 0.000 1.216 659 A CA 0.043 52.105 52.037 0.042 0.000 0.864 659 A CB -0.576 18.456 19.000 0.053 0.000 0.902 659 A HN 0.188 nan 8.150 nan 0.000 0.499 660 A N -0.221 122.687 122.820 0.146 0.000 2.340 660 A HA 0.498 4.813 4.320 -0.009 0.000 0.268 660 A C 0.340 178.065 177.584 0.235 0.000 1.100 660 A CA -0.159 52.032 52.037 0.258 0.000 0.803 660 A CB 0.399 19.649 19.000 0.416 0.000 1.043 660 A HN 0.256 nan 8.150 nan 0.000 0.488 661 D N -0.084 120.451 120.400 0.225 0.000 2.525 661 D HA 0.119 4.754 4.640 -0.009 0.000 0.248 661 D C -0.309 176.192 176.300 0.336 0.000 1.000 661 D CA 0.733 54.912 54.000 0.298 0.000 0.923 661 D CB 0.262 41.143 40.800 0.134 0.000 1.101 661 D HN 0.330 nan 8.370 nan 0.000 0.493 662 L N 0.700 122.008 121.223 0.141 0.000 2.356 662 L HA 0.381 4.716 4.340 -0.009 0.000 0.277 662 L C -0.757 175.991 176.870 -0.204 0.000 0.996 662 L CA -0.557 54.291 54.840 0.014 0.000 0.822 662 L CB 2.051 44.093 42.059 -0.029 0.000 1.256 662 L HN -0.277 nan 8.230 nan 0.000 0.413 663 S N 4.159 119.647 115.700 -0.354 0.000 2.429 663 S HA 0.460 4.925 4.470 -0.009 0.000 0.302 663 S C -0.625 173.692 174.600 -0.472 0.000 1.115 663 S CA -0.634 57.101 58.200 -0.774 0.000 1.095 663 S CB 0.365 63.040 63.200 -0.874 0.000 0.987 663 S HN 0.628 nan 8.310 nan 0.000 0.474 664 E N 4.090 124.024 120.200 -0.443 0.000 2.089 664 E HA 0.215 4.560 4.350 -0.009 0.000 0.284 664 E C -0.567 175.916 176.600 -0.195 0.000 1.023 664 E CA -0.432 55.834 56.400 -0.223 0.000 0.819 664 E CB 1.017 30.616 29.700 -0.168 0.000 1.076 664 E HN 0.593 nan 8.360 nan 0.000 0.396 665 Q N 2.815 122.556 119.800 -0.097 0.000 3.064 665 Q HA 0.266 4.600 4.340 -0.009 0.000 0.258 665 Q C 0.583 176.568 176.000 -0.024 0.000 0.972 665 Q CA -0.132 55.627 55.803 -0.073 0.000 0.761 665 Q CB 0.271 28.980 28.738 -0.049 0.000 1.281 665 Q HN 0.617 nan 8.270 nan 0.000 0.455 666 I N -1.563 118.978 120.570 -0.049 0.000 3.637 666 I HA 0.274 4.439 4.170 -0.009 0.000 0.342 666 I C 0.400 176.458 176.117 -0.097 0.000 1.545 666 I CA -0.654 60.624 61.300 -0.037 0.000 1.126 666 I CB 0.283 38.264 38.000 -0.033 0.000 1.375 666 I HN -0.002 nan 8.210 nan 0.000 0.467 667 S N 0.403 116.047 115.700 -0.094 0.000 2.576 667 S HA 0.199 4.664 4.470 -0.009 0.000 0.272 667 S C 0.551 175.124 174.600 -0.045 0.000 1.352 667 S CA -0.297 57.863 58.200 -0.067 0.000 1.021 667 S CB 0.449 63.658 63.200 0.015 0.000 0.887 667 S HN 0.395 nan 8.310 nan 0.000 0.542 668 T N 2.529 117.088 114.554 0.009 0.000 2.888 668 T HA 0.427 4.772 4.350 -0.009 0.000 0.301 668 T C 0.719 175.424 174.700 0.008 0.000 1.001 668 T CA 0.165 62.279 62.100 0.022 0.000 1.147 668 T CB 0.167 69.120 68.868 0.141 0.000 0.931 668 T HN 1.003 nan 8.240 nan 0.000 0.541 669 A N 2.612 125.407 122.820 -0.042 0.000 2.580 669 A HA 0.432 4.747 4.320 -0.009 0.000 0.244 669 A C 1.641 179.216 177.584 -0.016 0.000 1.045 669 A CA 0.358 52.368 52.037 -0.046 0.000 0.761 669 A CB -0.966 17.995 19.000 -0.066 0.000 0.962 669 A HN 1.720 nan 8.150 nan 0.000 0.512 670 G N 1.467 110.257 108.800 -0.018 0.000 2.175 670 G HA2 -0.239 3.715 3.960 -0.009 0.000 0.244 670 G HA3 -0.239 3.715 3.960 -0.009 0.000 0.244 670 G C 0.836 175.722 174.900 -0.023 0.000 0.982 670 G CA 1.141 46.233 45.100 -0.014 0.000 0.641 670 G HN 2.008 nan 8.290 nan 0.000 0.527 671 T N -2.642 111.896 114.554 -0.026 0.000 3.018 671 T HA 0.409 4.754 4.350 -0.009 0.000 0.246 671 T C 0.742 175.295 174.700 -0.245 0.000 1.026 671 T CA 1.023 63.043 62.100 -0.132 0.000 1.081 671 T CB 0.564 69.395 68.868 -0.061 0.000 0.970 671 T HN 0.272 nan 8.240 nan 0.000 0.475 672 E N 1.592 121.773 120.200 -0.031 0.000 2.001 672 E HA 0.665 5.010 4.350 -0.009 0.000 0.279 672 E C 1.201 177.750 176.600 -0.085 0.000 1.045 672 E CA 0.055 56.475 56.400 0.034 0.000 0.833 672 E CB 0.725 30.498 29.700 0.121 0.000 1.077 672 E HN 0.343 nan 8.360 nan 0.000 0.397 673 A N 3.407 126.101 122.820 -0.211 0.000 1.903 673 A HA -0.253 4.062 4.320 -0.009 0.000 0.219 673 A C 1.984 179.438 177.584 -0.217 0.000 1.191 673 A CA 2.408 54.185 52.037 -0.432 0.000 0.638 673 A CB -0.287 18.263 19.000 -0.750 0.000 0.823 673 A HN 0.611 nan 8.150 nan 0.000 0.451 674 S N -4.157 111.479 115.700 -0.108 0.000 4.193 674 S HA 0.451 4.915 4.470 -0.009 0.000 0.211 674 S C 0.662 175.249 174.600 -0.021 0.000 1.162 674 S CA 1.372 59.553 58.200 -0.032 0.000 1.039 674 S CB -0.115 63.090 63.200 0.009 0.000 1.371 674 S HN 2.326 nan 8.310 nan 0.000 0.550 675 G N 0.331 109.124 108.800 -0.012 0.000 2.721 675 G HA2 -0.027 3.928 3.960 -0.009 0.000 0.686 675 G HA3 -0.027 3.928 3.960 -0.009 0.000 0.686 675 G C 0.227 175.106 174.900 -0.034 0.000 1.236 675 G CA 0.450 45.541 45.100 -0.016 0.000 0.786 675 G HN 1.332 nan 8.290 nan 0.000 0.616 676 T N -1.871 112.649 114.554 -0.057 0.000 3.010 676 T HA 0.375 4.720 4.350 -0.009 0.000 0.253 676 T C 2.370 176.973 174.700 -0.163 0.000 0.939 676 T CA 1.237 63.275 62.100 -0.103 0.000 0.910 676 T CB 0.313 69.109 68.868 -0.120 0.000 1.226 676 T HN 1.879 nan 8.240 nan 0.000 0.508 677 G N 3.105 111.835 108.800 -0.115 0.000 2.442 677 G HA2 -0.260 3.694 3.960 -0.009 0.000 0.219 677 G HA3 -0.260 3.694 3.960 -0.009 0.000 0.219 677 G C 1.454 176.402 174.900 0.080 0.000 1.141 677 G CA 1.162 46.215 45.100 -0.078 0.000 0.763 677 G HN 0.830 nan 8.290 nan 0.000 0.554 678 N N 0.156 118.880 118.700 0.041 0.000 2.104 678 N HA -0.153 4.582 4.740 -0.009 0.000 0.190 678 N C 2.207 177.720 175.510 0.005 0.000 1.024 678 N CA 1.360 54.436 53.050 0.044 0.000 0.853 678 N CB -0.362 38.105 38.487 -0.033 0.000 1.008 678 N HN 0.347 nan 8.380 nan 0.000 0.424 679 M N 0.769 120.309 119.600 -0.100 0.000 2.175 679 M HA -0.022 4.452 4.480 -0.009 0.000 0.264 679 M C 2.006 178.265 176.300 -0.067 0.000 1.063 679 M CA 1.408 56.636 55.300 -0.121 0.000 1.119 679 M CB -0.075 32.463 32.600 -0.103 0.000 1.377 679 M HN 0.107 nan 8.290 nan 0.000 0.415 680 K N 0.085 120.379 120.400 -0.178 0.000 2.057 680 K HA -0.116 4.199 4.320 -0.009 0.000 0.207 680 K C 1.719 178.216 176.600 -0.172 0.000 1.049 680 K CA 1.422 57.541 56.287 -0.280 0.000 0.931 680 K CB -0.303 31.806 32.500 -0.651 0.000 0.714 680 K HN 0.158 nan 8.250 nan 0.000 0.440 681 F N 1.103 120.986 119.950 -0.112 0.000 2.186 681 F HA -0.115 4.406 4.527 -0.010 0.000 0.299 681 F C 2.561 178.335 175.800 -0.044 0.000 1.090 681 F CA 1.169 59.126 58.000 -0.071 0.000 1.307 681 F CB -0.279 38.667 39.000 -0.090 0.000 1.019 681 F HN 0.001 nan 8.300 nan 0.000 0.489 682 M N -0.499 119.188 119.600 0.145 0.000 2.159 682 M HA -0.184 4.291 4.480 -0.009 0.000 0.263 682 M C 2.032 178.388 176.300 0.093 0.000 1.063 682 M CA 1.543 56.899 55.300 0.093 0.000 1.110 682 M CB -0.191 32.461 32.600 0.087 0.000 1.374 682 M HN 0.259 nan 8.290 nan 0.000 0.411 683 L N 0.702 121.979 121.223 0.089 0.000 2.291 683 L HA -0.037 4.297 4.340 -0.009 0.000 0.214 683 L C 1.235 178.151 176.870 0.077 0.000 1.120 683 L CA 1.505 56.403 54.840 0.097 0.000 0.799 683 L CB -0.536 41.592 42.059 0.115 0.000 0.925 683 L HN 0.334 nan 8.230 nan 0.000 0.446 684 N N -0.105 118.631 118.700 0.060 0.000 2.251 684 N HA 0.178 4.912 4.740 -0.009 0.000 0.217 684 N C 0.825 176.369 175.510 0.056 0.000 1.124 684 N CA 0.780 53.857 53.050 0.046 0.000 0.843 684 N CB 0.553 39.044 38.487 0.008 0.000 1.024 684 N HN 0.393 nan 8.380 nan 0.000 0.501 685 G N 0.447 109.285 108.800 0.064 0.000 2.142 685 G HA2 -0.190 3.764 3.960 -0.009 0.000 0.225 685 G HA3 -0.190 3.764 3.960 -0.009 0.000 0.225 685 G C -0.039 174.927 174.900 0.111 0.000 1.015 685 G CA 0.128 45.268 45.100 0.066 0.000 0.716 685 G HN 0.527 nan 8.290 nan 0.000 0.508 686 A N -0.549 122.344 122.820 0.122 0.000 2.340 686 A HA 0.898 5.213 4.320 -0.009 0.000 0.331 686 A C -0.148 177.437 177.584 0.001 0.000 1.140 686 A CA -0.673 51.454 52.037 0.150 0.000 0.801 686 A CB 1.417 20.570 19.000 0.256 0.000 1.234 686 A HN 0.749 nan 8.150 nan 0.000 0.469 687 L N 0.708 121.897 121.223 -0.057 0.000 2.399 687 L HA 0.559 4.893 4.340 -0.009 0.000 0.265 687 L C 0.575 177.306 176.870 -0.231 0.000 1.089 687 L CA 0.545 55.240 54.840 -0.241 0.000 0.802 687 L CB 1.561 43.391 42.059 -0.381 0.000 1.180 687 L HN 0.741 nan 8.230 nan 0.000 0.454 688 T N 3.643 117.925 114.554 -0.454 0.000 2.797 688 T HA 0.529 4.874 4.350 -0.009 0.000 0.279 688 T C -0.391 174.189 174.700 -0.200 0.000 0.991 688 T CA -0.202 61.627 62.100 -0.450 0.000 0.979 688 T CB 1.003 69.411 68.868 -0.767 0.000 0.943 688 T HN 0.439 nan 8.240 nan 0.000 0.444 689 I N 2.892 123.438 120.570 -0.040 0.000 2.362 689 I HA 0.729 4.893 4.170 -0.009 0.000 0.289 689 I C 0.036 176.305 176.117 0.254 0.000 0.994 689 I CA 0.061 61.452 61.300 0.151 0.000 1.158 689 I CB 0.367 38.377 38.000 0.016 0.000 1.315 689 I HN 0.798 nan 8.210 nan 0.000 0.451 690 G N 3.945 112.983 108.800 0.397 0.000 2.559 690 G HA2 0.431 4.385 3.960 -0.009 0.000 0.291 690 G HA3 0.431 4.385 3.960 -0.009 0.000 0.291 690 G C -0.935 173.923 174.900 -0.070 0.000 1.424 690 G CA -0.353 44.902 45.100 0.258 0.000 0.786 690 G HN 0.580 nan 8.290 nan 0.000 0.485 691 T N -1.471 112.911 114.554 -0.288 0.000 2.874 691 T HA 0.525 4.870 4.350 -0.009 0.000 0.281 691 T C 0.709 175.297 174.700 -0.187 0.000 0.994 691 T CA -0.667 61.179 62.100 -0.422 0.000 1.015 691 T CB 1.158 69.785 68.868 -0.402 0.000 1.028 691 T HN 0.269 nan 8.240 nan 0.000 0.523 692 M N 2.901 122.398 119.600 -0.172 0.000 3.436 692 M HA 0.320 4.794 4.480 -0.009 0.000 0.240 692 M C -0.443 175.802 176.300 -0.091 0.000 1.469 692 M CA -0.061 55.172 55.300 -0.111 0.000 1.622 692 M CB -1.674 30.868 32.600 -0.097 0.000 1.098 692 M HN 0.736 nan 8.290 nan 0.000 0.568 693 D N -0.038 120.315 120.400 -0.080 0.000 2.601 693 D HA 0.679 5.314 4.640 -0.009 0.000 0.230 693 D C 0.783 177.058 176.300 -0.041 0.000 1.106 693 D CA 0.657 54.624 54.000 -0.055 0.000 0.873 693 D CB 1.767 42.536 40.800 -0.051 0.000 1.515 693 D HN 0.588 nan 8.370 nan 0.000 0.468 694 G N 1.533 110.318 108.800 -0.025 0.000 2.632 694 G HA2 -0.289 3.665 3.960 -0.009 0.000 0.322 694 G HA3 -0.289 3.665 3.960 -0.009 0.000 0.322 694 G C 1.108 175.997 174.900 -0.019 0.000 1.326 694 G CA 1.403 46.492 45.100 -0.017 0.000 0.986 694 G HN 1.040 nan 8.290 nan 0.000 0.541 695 A N -0.505 122.299 122.820 -0.027 0.000 2.121 695 A HA 0.011 4.326 4.320 -0.009 0.000 0.218 695 A C 2.167 179.678 177.584 -0.121 0.000 1.154 695 A CA 2.034 54.045 52.037 -0.043 0.000 0.679 695 A CB -0.498 18.461 19.000 -0.068 0.000 0.795 695 A HN 0.649 nan 8.150 nan 0.000 0.458 696 N N 0.528 119.166 118.700 -0.105 0.000 2.137 696 N HA -0.163 4.572 4.740 -0.009 0.000 0.190 696 N C 1.593 176.973 175.510 -0.217 0.000 1.017 696 N CA 1.630 54.609 53.050 -0.119 0.000 0.859 696 N CB -0.698 37.770 38.487 -0.032 0.000 1.002 696 N HN 0.294 nan 8.380 nan 0.000 0.428 697 V N 1.312 121.142 119.914 -0.140 0.000 2.287 697 V HA -0.225 3.889 4.120 -0.009 0.000 0.248 697 V C 1.979 177.994 176.094 -0.131 0.000 1.053 697 V CA 1.739 63.957 62.300 -0.136 0.000 1.027 697 V CB -0.502 31.276 31.823 -0.075 0.000 0.646 697 V HN 0.374 nan 8.190 nan 0.000 0.447 698 E N -0.654 119.520 120.200 -0.043 0.000 2.152 698 E HA -0.140 4.204 4.350 -0.009 0.000 0.192 698 E C 2.203 178.890 176.600 0.145 0.000 0.983 698 E CA 1.051 57.501 56.400 0.083 0.000 0.818 698 E CB -0.182 29.657 29.700 0.231 0.000 0.758 698 E HN 0.550 nan 8.360 nan 0.000 0.467 699 M N 0.494 120.042 119.600 -0.087 0.000 2.099 699 M HA -0.131 4.343 4.480 -0.009 0.000 0.262 699 M C 2.511 178.528 176.300 -0.471 0.000 1.067 699 M CA 1.510 56.673 55.300 -0.228 0.000 1.124 699 M CB -0.191 32.159 32.600 -0.417 0.000 1.353 699 M HN 0.138 nan 8.290 nan 0.000 0.410 700 A N -0.090 122.190 122.820 -0.901 0.000 1.933 700 A HA -0.222 4.093 4.320 -0.009 0.000 0.218 700 A C 1.984 179.359 177.584 -0.349 0.000 1.175 700 A CA 1.977 53.451 52.037 -0.939 0.000 0.628 700 A CB -0.818 17.718 19.000 -0.774 0.000 0.814 700 A HN 0.585 nan 8.150 nan 0.000 0.444 701 E N -0.460 119.610 120.200 -0.216 0.000 2.110 701 E HA -0.214 4.131 4.350 -0.009 0.000 0.193 701 E C 1.787 178.356 176.600 -0.052 0.000 0.988 701 E CA 1.263 57.602 56.400 -0.100 0.000 0.804 701 E CB -0.052 29.610 29.700 -0.062 0.000 0.745 701 E HN 0.562 nan 8.360 nan 0.000 0.458 702 E N -0.008 120.188 120.200 -0.007 0.000 2.072 702 E HA -0.110 4.234 4.350 -0.009 0.000 0.190 702 E C 1.842 178.462 176.600 0.033 0.000 0.982 702 E CA 1.085 57.506 56.400 0.034 0.000 0.803 702 E CB -0.123 29.653 29.700 0.127 0.000 0.755 702 E HN 0.351 nan 8.360 nan 0.000 0.453 703 A N 0.382 123.224 122.820 0.036 0.000 2.072 703 A HA 0.337 4.651 4.320 -0.009 0.000 0.216 703 A C 1.049 178.647 177.584 0.025 0.000 1.156 703 A CA 1.109 53.184 52.037 0.065 0.000 0.701 703 A CB 0.055 19.156 19.000 0.169 0.000 0.816 703 A HN 0.249 nan 8.150 nan 0.000 0.458 704 G N -0.467 108.320 108.800 -0.022 0.000 3.225 704 G HA2 -0.072 3.883 3.960 -0.009 0.000 0.686 704 G HA3 -0.072 3.883 3.960 -0.009 0.000 0.686 704 G C -0.059 174.821 174.900 -0.034 0.000 1.105 704 G CA -0.020 45.061 45.100 -0.031 0.000 0.831 704 G HN 0.249 nan 8.290 nan 0.000 0.578 705 E N 0.977 121.144 120.200 -0.054 0.000 2.209 705 E HA -0.182 4.163 4.350 -0.009 0.000 0.196 705 E C 1.923 178.505 176.600 -0.029 0.000 0.993 705 E CA 1.740 58.116 56.400 -0.041 0.000 0.819 705 E CB 0.078 29.751 29.700 -0.044 0.000 0.745 705 E HN 0.760 nan 8.360 nan 0.000 0.477 706 E N 0.659 120.831 120.200 -0.047 0.000 2.418 706 E HA -0.069 4.276 4.350 -0.009 0.000 0.197 706 E C 0.883 177.394 176.600 -0.148 0.000 1.026 706 E CA 0.547 56.898 56.400 -0.083 0.000 0.862 706 E CB -0.009 29.655 29.700 -0.059 0.000 0.799 706 E HN 0.161 nan 8.360 nan 0.000 0.518 707 N N -0.324 118.318 118.700 -0.097 0.000 2.238 707 N HA 0.158 4.893 4.740 -0.009 0.000 0.222 707 N C -0.969 174.456 175.510 -0.140 0.000 1.133 707 N CA 0.059 53.023 53.050 -0.142 0.000 0.854 707 N CB 0.414 38.876 38.487 -0.041 0.000 1.041 707 N HN 0.047 nan 8.380 nan 0.000 0.510 708 F N -0.426 119.294 119.950 -0.384 0.000 2.588 708 F HA 0.420 4.941 4.527 -0.010 0.000 0.314 708 F C -0.820 174.725 175.800 -0.426 0.000 1.069 708 F CA -1.090 56.717 58.000 -0.322 0.000 0.931 708 F CB 1.377 40.291 39.000 -0.144 0.000 1.260 708 F HN -0.224 nan 8.300 nan 0.000 0.465 709 F N 5.153 125.120 119.950 0.028 0.000 2.318 709 F HA 0.387 4.909 4.527 -0.009 0.000 0.356 709 F C -0.314 175.618 175.800 0.219 0.000 1.109 709 F CA -0.622 57.422 58.000 0.074 0.000 1.234 709 F CB -0.029 38.957 39.000 -0.024 0.000 1.545 709 F HN -0.016 nan 8.300 nan 0.000 0.534 710 I N 3.922 124.695 120.570 0.337 0.000 2.440 710 I HA 0.399 4.564 4.170 -0.009 0.000 0.294 710 I C -0.065 176.244 176.117 0.320 0.000 0.995 710 I CA -0.726 60.739 61.300 0.275 0.000 1.306 710 I CB 0.706 38.785 38.000 0.132 0.000 1.407 710 I HN 0.361 nan 8.210 nan 0.000 0.501 711 F N 2.154 122.164 119.950 0.101 0.000 2.779 711 F HA 0.842 5.364 4.527 -0.010 0.000 0.316 711 F C 0.001 175.837 175.800 0.061 0.000 1.164 711 F CA -0.496 57.554 58.000 0.084 0.000 0.924 711 F CB 0.981 40.044 39.000 0.105 0.000 1.348 711 F HN 0.827 nan 8.300 nan 0.000 0.467 712 G N 0.885 109.697 108.800 0.021 0.000 2.828 712 G HA2 -0.086 3.869 3.960 -0.009 0.000 0.463 712 G HA3 -0.086 3.869 3.960 -0.009 0.000 0.463 712 G C -0.808 174.041 174.900 -0.085 0.000 1.394 712 G CA -0.526 44.521 45.100 -0.088 0.000 0.862 712 G HN 0.955 nan 8.290 nan 0.000 0.540 713 M N 0.669 120.235 119.600 -0.056 0.000 2.252 713 M HA 0.300 4.775 4.480 -0.009 0.000 0.333 713 M C 1.127 177.385 176.300 -0.070 0.000 1.111 713 M CA 0.019 55.299 55.300 -0.033 0.000 1.140 713 M CB 0.333 32.925 32.600 -0.013 0.000 1.538 713 M HN 0.536 nan 8.290 nan 0.000 0.448 714 R N 1.321 121.794 120.500 -0.044 0.000 2.608 714 R HA 0.338 4.672 4.340 -0.009 0.000 0.255 714 R C 1.210 177.487 176.300 -0.038 0.000 1.086 714 R CA -0.710 55.360 56.100 -0.050 0.000 1.125 714 R CB -0.026 30.253 30.300 -0.036 0.000 1.193 714 R HN 0.571 nan 8.270 nan 0.000 0.553 715 V N 1.409 121.300 119.914 -0.038 0.000 2.324 715 V HA -0.271 3.844 4.120 -0.009 0.000 0.250 715 V C 1.800 177.881 176.094 -0.022 0.000 1.060 715 V CA 2.060 64.341 62.300 -0.031 0.000 1.042 715 V CB -0.474 31.330 31.823 -0.033 0.000 0.650 715 V HN 0.628 nan 8.190 nan 0.000 0.450 716 E N 0.048 120.237 120.200 -0.018 0.000 2.153 716 E HA -0.176 4.169 4.350 -0.009 0.000 0.194 716 E C 1.943 178.545 176.600 0.002 0.000 0.988 716 E CA 1.266 57.660 56.400 -0.009 0.000 0.811 716 E CB -0.318 29.377 29.700 -0.008 0.000 0.746 716 E HN 0.627 nan 8.360 nan 0.000 0.466 717 D N -0.212 120.191 120.400 0.004 0.000 2.149 717 D HA -0.088 4.547 4.640 -0.009 0.000 0.201 717 D C 1.962 178.276 176.300 0.022 0.000 0.972 717 D CA 0.785 54.797 54.000 0.021 0.000 0.835 717 D CB -0.019 40.796 40.800 0.024 0.000 0.966 717 D HN 0.067 nan 8.370 nan 0.000 0.476 718 V N 1.935 121.849 119.914 0.001 0.000 2.343 718 V HA -0.204 3.910 4.120 -0.009 0.000 0.247 718 V C 2.007 178.100 176.094 -0.001 0.000 1.051 718 V CA 1.635 63.929 62.300 -0.010 0.000 1.036 718 V CB -0.377 31.430 31.823 -0.027 0.000 0.654 718 V HN 0.058 nan 8.190 nan 0.000 0.451 719 D N -0.209 120.190 120.400 -0.001 0.000 2.117 719 D HA -0.152 4.483 4.640 -0.009 0.000 0.197 719 D C 2.408 178.719 176.300 0.018 0.000 0.987 719 D CA 1.193 55.194 54.000 0.002 0.000 0.829 719 D CB -0.205 40.593 40.800 -0.004 0.000 0.961 719 D HN 0.353 nan 8.370 nan 0.000 0.460 720 R N 0.191 120.707 120.500 0.026 0.000 2.081 720 R HA -0.037 4.298 4.340 -0.009 0.000 0.235 720 R C 2.546 178.882 176.300 0.060 0.000 1.131 720 R CA 0.544 56.668 56.100 0.039 0.000 0.960 720 R CB -0.349 29.977 30.300 0.042 0.000 0.856 720 R HN 0.186 nan 8.270 nan 0.000 0.436 721 L N 0.619 121.887 121.223 0.075 0.000 2.083 721 L HA -0.220 4.115 4.340 -0.009 0.000 0.209 721 L C 1.557 178.494 176.870 0.112 0.000 1.083 721 L CA 1.312 56.224 54.840 0.121 0.000 0.752 721 L CB -0.284 41.864 42.059 0.147 0.000 0.899 721 L HN 0.265 nan 8.230 nan 0.000 0.433 722 D N -0.646 119.793 120.400 0.066 0.000 2.144 722 D HA -0.191 4.443 4.640 -0.009 0.000 0.200 722 D C 2.184 178.515 176.300 0.051 0.000 0.978 722 D CA 1.027 55.059 54.000 0.054 0.000 0.833 722 D CB -0.041 40.770 40.800 0.017 0.000 0.961 722 D HN 0.451 nan 8.370 nan 0.000 0.470 723 Q N 0.118 119.943 119.800 0.043 0.000 2.124 723 Q HA -0.139 4.195 4.340 -0.009 0.000 0.202 723 Q C 2.114 178.140 176.000 0.044 0.000 0.977 723 Q CA 1.071 56.895 55.803 0.036 0.000 0.850 723 Q CB -0.055 28.701 28.738 0.030 0.000 0.901 723 Q HN 0.253 nan 8.270 nan 0.000 0.429 724 R N -0.037 120.497 120.500 0.058 0.000 2.334 724 R HA 0.159 4.493 4.340 -0.009 0.000 0.216 724 R C -0.176 176.168 176.300 0.072 0.000 0.905 724 R CA 0.744 56.880 56.100 0.059 0.000 1.064 724 R CB 0.448 30.785 30.300 0.060 0.000 1.046 724 R HN 0.113 nan 8.270 nan 0.000 0.508 725 G N 1.526 110.381 108.800 0.092 0.000 3.439 725 G HA2 -0.301 3.653 3.960 -0.009 0.000 0.684 725 G HA3 -0.301 3.653 3.960 -0.009 0.000 0.684 725 G C -1.152 173.845 174.900 0.162 0.000 1.005 725 G CA -0.225 44.940 45.100 0.108 0.000 0.837 725 G HN 0.371 nan 8.290 nan 0.000 0.470 726 Y N 3.013 123.352 120.300 0.065 0.000 2.436 726 Y HA 0.537 5.082 4.550 -0.009 0.000 0.336 726 Y C 0.338 176.304 175.900 0.111 0.000 1.049 726 Y CA -0.858 57.301 58.100 0.098 0.000 1.294 726 Y CB 1.132 39.628 38.460 0.060 0.000 1.179 726 Y HN 0.668 nan 8.280 nan 0.000 0.520 727 N N 4.734 123.195 118.700 -0.399 0.000 2.573 727 N HA 0.379 5.114 4.740 -0.009 0.000 0.262 727 N C 0.172 175.439 175.510 -0.405 0.000 1.029 727 N CA 0.214 53.062 53.050 -0.336 0.000 0.882 727 N CB 1.171 39.595 38.487 -0.105 0.000 1.204 727 N HN 0.737 nan 8.380 nan 0.000 0.519 728 A N 2.626 125.115 122.820 -0.551 0.000 1.978 728 A HA -0.207 4.107 4.320 -0.009 0.000 0.220 728 A C 1.882 179.611 177.584 0.242 0.000 1.170 728 A CA 1.596 53.565 52.037 -0.113 0.000 0.636 728 A CB -0.527 18.354 19.000 -0.199 0.000 0.810 728 A HN 0.716 nan 8.150 nan 0.000 0.448 729 Q N 0.247 120.083 119.800 0.060 0.000 2.112 729 Q HA -0.249 4.086 4.340 -0.009 0.000 0.206 729 Q C 1.891 177.968 176.000 0.128 0.000 0.987 729 Q CA 2.403 58.250 55.803 0.073 0.000 0.858 729 Q CB -0.386 28.353 28.738 0.002 0.000 0.905 729 Q HN 0.785 nan 8.270 nan 0.000 0.420 730 E N -1.399 118.827 120.200 0.043 0.000 2.049 730 E HA -0.252 4.093 4.350 -0.009 0.000 0.198 730 E C 1.672 178.219 176.600 -0.090 0.000 1.007 730 E CA 1.597 57.951 56.400 -0.076 0.000 0.809 730 E CB -0.287 29.269 29.700 -0.240 0.000 0.749 730 E HN 0.591 nan 8.360 nan 0.000 0.450 731 Y N -1.014 119.350 120.300 0.105 0.000 2.181 731 Y HA -0.223 4.321 4.550 -0.009 0.000 0.288 731 Y C 2.258 178.156 175.900 -0.005 0.000 1.146 731 Y CA 1.585 59.733 58.100 0.080 0.000 1.164 731 Y CB -0.730 37.824 38.460 0.157 0.000 0.982 731 Y HN 0.265 nan 8.280 nan 0.000 0.515 732 Y N 1.283 121.608 120.300 0.041 0.000 2.181 732 Y HA -0.251 4.293 4.550 -0.009 0.000 0.288 732 Y C 1.816 177.682 175.900 -0.057 0.000 1.146 732 Y CA 1.811 59.861 58.100 -0.083 0.000 1.164 732 Y CB -0.397 38.064 38.460 0.001 0.000 0.982 732 Y HN 0.087 nan 8.280 nan 0.000 0.515 733 D N -0.307 120.221 120.400 0.212 0.000 2.224 733 D HA -0.077 4.558 4.640 -0.009 0.000 0.205 733 D C 1.890 178.183 176.300 -0.012 0.000 0.965 733 D CA 1.135 55.198 54.000 0.104 0.000 0.852 733 D CB -0.116 40.745 40.800 0.103 0.000 0.947 733 D HN 0.460 nan 8.370 nan 0.000 0.494 734 R N -0.332 120.152 120.500 -0.027 0.000 2.290 734 R HA 0.297 4.631 4.340 -0.009 0.000 0.197 734 R C 0.402 176.680 176.300 -0.037 0.000 0.913 734 R CA 0.131 56.209 56.100 -0.037 0.000 1.040 734 R CB 1.035 31.307 30.300 -0.046 0.000 0.992 734 R HN 0.092 nan 8.270 nan 0.000 0.500 735 I N 1.653 122.181 120.570 -0.069 0.000 2.405 735 I HA 0.219 4.383 4.170 -0.009 0.000 0.280 735 I C -1.989 174.033 176.117 -0.158 0.000 1.027 735 I CA -2.403 58.857 61.300 -0.066 0.000 1.161 735 I CB 2.053 40.043 38.000 -0.017 0.000 1.300 735 I HN -0.265 nan 8.210 nan 0.000 0.463 736 P HA -0.193 nan 4.420 nan 0.000 0.215 736 P C 1.174 178.378 177.300 -0.160 0.000 1.157 736 P CA 1.494 64.506 63.100 -0.146 0.000 0.874 736 P CB 0.301 31.948 31.700 -0.088 0.000 0.790 737 E N -1.094 119.048 120.200 -0.098 0.000 2.110 737 E HA -0.168 4.177 4.350 -0.009 0.000 0.193 737 E C 1.894 178.385 176.600 -0.182 0.000 0.988 737 E CA 0.706 57.059 56.400 -0.078 0.000 0.804 737 E CB -0.617 29.108 29.700 0.042 0.000 0.745 737 E HN 0.120 nan 8.360 nan 0.000 0.458 738 L N 1.321 122.352 121.223 -0.320 0.000 2.056 738 L HA -0.139 4.195 4.340 -0.009 0.000 0.207 738 L C 2.374 178.950 176.870 -0.489 0.000 1.078 738 L CA 1.645 56.127 54.840 -0.597 0.000 0.749 738 L CB -0.300 41.271 42.059 -0.814 0.000 0.901 738 L HN -0.083 nan 8.230 nan 0.000 0.433 739 R N -0.740 119.444 120.500 -0.527 0.000 2.083 739 R HA -0.249 4.086 4.340 -0.009 0.000 0.237 739 R C 2.394 178.488 176.300 -0.344 0.000 1.137 739 R CA 2.001 57.682 56.100 -0.699 0.000 0.951 739 R CB -0.399 29.437 30.300 -0.772 0.000 0.851 739 R HN 0.647 nan 8.270 nan 0.000 0.434 740 Q N 0.477 120.129 119.800 -0.246 0.000 2.096 740 Q HA -0.187 4.147 4.340 -0.009 0.000 0.204 740 Q C 2.045 177.976 176.000 -0.117 0.000 0.982 740 Q CA 1.960 57.670 55.803 -0.154 0.000 0.850 740 Q CB -0.123 28.532 28.738 -0.138 0.000 0.901 740 Q HN 0.498 nan 8.270 nan 0.000 0.422 741 I N 0.579 121.075 120.570 -0.125 0.000 2.179 741 I HA -0.274 3.891 4.170 -0.009 0.000 0.242 741 I C 2.164 178.286 176.117 0.007 0.000 1.088 741 I CA 0.631 61.896 61.300 -0.058 0.000 1.357 741 I CB -0.306 37.636 38.000 -0.096 0.000 1.051 741 I HN 0.306 nan 8.210 nan 0.000 0.409 742 I N 0.902 121.476 120.570 0.006 0.000 2.226 742 I HA -0.247 3.917 4.170 -0.009 0.000 0.245 742 I C 2.455 178.661 176.117 0.148 0.000 1.100 742 I CA 1.710 63.088 61.300 0.130 0.000 1.374 742 I CB -1.261 36.910 38.000 0.285 0.000 1.057 742 I HN 0.358 nan 8.210 nan 0.000 0.413 743 E N 0.323 120.590 120.200 0.111 0.000 2.150 743 E HA -0.223 4.122 4.350 -0.009 0.000 0.193 743 E C 2.142 178.799 176.600 0.095 0.000 0.985 743 E CA 0.822 57.287 56.400 0.107 0.000 0.814 743 E CB -0.105 29.634 29.700 0.064 0.000 0.752 743 E HN 0.606 nan 8.360 nan 0.000 0.466 744 Q N 0.502 120.337 119.800 0.059 0.000 2.079 744 Q HA -0.107 4.228 4.340 -0.009 0.000 0.200 744 Q C 2.377 178.529 176.000 0.254 0.000 0.974 744 Q CA 0.938 56.777 55.803 0.060 0.000 0.840 744 Q CB -0.036 28.621 28.738 -0.135 0.000 0.898 744 Q HN 0.292 nan 8.270 nan 0.000 0.430 745 L N 0.060 121.450 121.223 0.278 0.000 2.046 745 L HA -0.190 4.145 4.340 -0.009 0.000 0.208 745 L C 2.433 179.481 176.870 0.297 0.000 1.077 745 L CA 1.009 56.042 54.840 0.322 0.000 0.747 745 L CB -0.352 41.812 42.059 0.176 0.000 0.896 745 L HN 0.148 nan 8.230 nan 0.000 0.432 746 S N -0.332 115.499 115.700 0.217 0.000 2.383 746 S HA -0.145 4.319 4.470 -0.009 0.000 0.227 746 S C 2.083 176.783 174.600 0.168 0.000 1.026 746 S CA 1.476 59.786 58.200 0.183 0.000 0.981 746 S CB -0.223 63.066 63.200 0.149 0.000 0.818 746 S HN 0.605 nan 8.310 nan 0.000 0.472 747 S N 0.411 116.211 115.700 0.166 0.000 2.522 747 S HA 0.321 4.786 4.470 -0.009 0.000 0.227 747 S C 1.488 176.178 174.600 0.149 0.000 0.986 747 S CA 0.699 58.984 58.200 0.141 0.000 0.929 747 S CB -0.076 63.200 63.200 0.127 0.000 0.769 747 S HN 0.807 nan 8.310 nan 0.000 0.529 748 G N 0.566 109.488 108.800 0.203 0.000 2.144 748 G HA2 -0.281 3.674 3.960 -0.009 0.000 0.218 748 G HA3 -0.281 3.674 3.960 -0.009 0.000 0.218 748 G C 0.230 175.225 174.900 0.158 0.000 0.988 748 G CA 0.098 45.309 45.100 0.184 0.000 0.659 748 G HN 0.508 nan 8.290 nan 0.000 0.522 749 F N 0.587 120.538 119.950 0.002 0.000 2.154 749 F HA 0.131 4.653 4.527 -0.009 0.000 0.301 749 F C 1.826 177.441 175.800 -0.308 0.000 1.087 749 F CA 2.086 59.966 58.000 -0.200 0.000 1.274 749 F CB -0.097 38.694 39.000 -0.350 0.000 1.009 749 F HN 0.162 nan 8.300 nan 0.000 0.485 750 F N -0.247 119.869 119.950 0.277 0.000 2.727 750 F HA 0.207 4.729 4.527 -0.009 0.000 0.302 750 F C 0.657 176.575 175.800 0.197 0.000 1.097 750 F CA 0.327 58.437 58.000 0.184 0.000 1.330 750 F CB -0.164 38.947 39.000 0.184 0.000 1.084 750 F HN -0.005 nan 8.300 nan 0.000 0.578 751 S N -2.033 113.828 115.700 0.269 0.000 2.564 751 S HA 0.317 4.781 4.470 -0.009 0.000 0.141 751 S C -2.464 172.167 174.600 0.052 0.000 1.474 751 S CA -1.039 57.250 58.200 0.149 0.000 1.236 751 S CB 0.933 64.192 63.200 0.099 0.000 1.481 751 S HN -0.187 nan 8.310 nan 0.000 0.397 752 P HA -0.161 nan 4.420 nan 0.000 0.214 752 P C 1.270 178.565 177.300 -0.008 0.000 1.169 752 P CA 1.558 64.642 63.100 -0.026 0.000 0.908 752 P CB 0.086 31.749 31.700 -0.062 0.000 0.791 753 K N -1.054 119.342 120.400 -0.006 0.000 2.211 753 K HA -0.083 4.232 4.320 -0.009 0.000 0.203 753 K C 0.721 177.322 176.600 0.002 0.000 1.050 753 K CA 0.989 57.275 56.287 -0.002 0.000 0.945 753 K CB -0.150 32.351 32.500 0.001 0.000 0.732 753 K HN 0.355 nan 8.250 nan 0.000 0.451 754 Q N -0.296 119.504 119.800 -0.000 0.000 2.965 754 Q HA 0.150 4.484 4.340 -0.009 0.000 0.288 754 Q C -2.336 173.660 176.000 -0.007 0.000 0.974 754 Q CA -1.592 54.205 55.803 -0.010 0.000 0.849 754 Q CB 1.540 30.262 28.738 -0.027 0.000 1.280 754 Q HN -0.075 nan 8.270 nan 0.000 0.441 755 P HA -0.243 nan 4.420 nan 0.000 0.217 755 P C 0.604 177.944 177.300 0.067 0.000 1.151 755 P CA 1.525 64.657 63.100 0.053 0.000 0.849 755 P CB 0.198 31.927 31.700 0.047 0.000 0.787 756 D N -1.383 119.040 120.400 0.038 0.000 2.427 756 D HA 0.003 4.637 4.640 -0.009 0.000 0.224 756 D C 1.534 177.838 176.300 0.007 0.000 1.157 756 D CA -0.267 53.763 54.000 0.050 0.000 0.828 756 D CB -0.481 40.348 40.800 0.050 0.000 0.974 756 D HN 0.036 nan 8.370 nan 0.000 0.498 757 L N 0.006 121.171 121.223 -0.096 0.000 2.043 757 L HA -0.052 4.283 4.340 -0.009 0.000 0.212 757 L C 1.075 177.740 176.870 -0.342 0.000 1.075 757 L CA 1.697 56.364 54.840 -0.289 0.000 0.752 757 L CB -0.625 41.083 42.059 -0.587 0.000 0.891 757 L HN -0.016 nan 8.230 nan 0.000 0.432 758 F N -0.329 119.677 119.950 0.094 0.000 2.730 758 F HA 0.148 4.669 4.527 -0.009 0.000 0.295 758 F C 1.834 177.684 175.800 0.083 0.000 1.143 758 F CA -0.164 57.880 58.000 0.073 0.000 1.367 758 F CB -0.379 38.652 39.000 0.051 0.000 0.970 758 F HN 0.118 nan 8.300 nan 0.000 0.514 759 K N -0.338 120.179 120.400 0.195 0.000 2.097 759 K HA -0.172 4.142 4.320 -0.009 0.000 0.206 759 K C 0.932 177.629 176.600 0.162 0.000 1.049 759 K CA 1.897 58.281 56.287 0.161 0.000 0.933 759 K CB -0.247 32.325 32.500 0.121 0.000 0.717 759 K HN 0.113 nan 8.250 nan 0.000 0.442 760 D N 1.300 121.810 120.400 0.183 0.000 2.144 760 D HA -0.078 4.556 4.640 -0.009 0.000 0.200 760 D C 2.082 178.475 176.300 0.156 0.000 0.978 760 D CA 1.069 55.187 54.000 0.195 0.000 0.833 760 D CB -0.092 40.870 40.800 0.270 0.000 0.961 760 D HN 0.320 nan 8.370 nan 0.000 0.470 761 I N 0.590 121.257 120.570 0.161 0.000 2.202 761 I HA -0.213 3.951 4.170 -0.009 0.000 0.242 761 I C 2.473 178.614 176.117 0.040 0.000 1.091 761 I CA 0.617 61.972 61.300 0.093 0.000 1.368 761 I CB -0.196 37.865 38.000 0.102 0.000 1.058 761 I HN -0.129 nan 8.210 nan 0.000 0.410 762 V N 1.003 120.966 119.914 0.082 0.000 2.343 762 V HA -0.336 3.778 4.120 -0.009 0.000 0.247 762 V C 2.177 178.256 176.094 -0.025 0.000 1.051 762 V CA 2.458 64.790 62.300 0.053 0.000 1.036 762 V CB -1.042 30.843 31.823 0.102 0.000 0.654 762 V HN 0.531 nan 8.190 nan 0.000 0.451 763 N N -0.554 118.157 118.700 0.019 0.000 2.120 763 N HA -0.239 4.496 4.740 -0.009 0.000 0.188 763 N C 2.026 177.436 175.510 -0.167 0.000 1.024 763 N CA 1.505 54.575 53.050 0.032 0.000 0.852 763 N CB -0.120 38.463 38.487 0.161 0.000 1.003 763 N HN 0.359 nan 8.380 nan 0.000 0.424 764 M N 0.645 120.081 119.600 -0.274 0.000 2.086 764 M HA -0.131 4.344 4.480 -0.009 0.000 0.261 764 M C 1.768 177.794 176.300 -0.457 0.000 1.067 764 M CA 1.276 56.176 55.300 -0.666 0.000 1.116 764 M CB -0.651 31.769 32.600 -0.299 0.000 1.348 764 M HN 0.209 nan 8.290 nan 0.000 0.407 765 L N 0.801 121.837 121.223 -0.313 0.000 2.042 765 L HA -0.219 4.116 4.340 -0.009 0.000 0.210 765 L C 2.455 178.998 176.870 -0.545 0.000 1.076 765 L CA 1.704 56.285 54.840 -0.431 0.000 0.749 765 L CB -0.984 40.874 42.059 -0.334 0.000 0.893 765 L HN 0.348 nan 8.230 nan 0.000 0.432 766 M N -2.079 117.262 119.600 -0.432 0.000 2.334 766 M HA -0.054 4.421 4.480 -0.009 0.000 0.266 766 M C 1.827 177.756 176.300 -0.618 0.000 1.082 766 M CA 1.360 56.342 55.300 -0.530 0.000 1.141 766 M CB -0.784 31.400 32.600 -0.694 0.000 1.380 766 M HN 0.330 nan 8.290 nan 0.000 0.440 767 H N -1.824 117.177 119.070 -0.115 0.000 2.927 767 H HA 0.187 4.738 4.556 -0.009 0.000 0.255 767 H C 0.115 175.484 175.328 0.068 0.000 0.974 767 H CA 0.642 56.681 56.048 -0.015 0.000 1.199 767 H CB 0.186 29.988 29.762 0.066 0.000 1.447 767 H HN 0.561 nan 8.280 nan 0.000 0.467 768 H N -1.225 117.905 119.070 0.100 0.000 2.597 768 H HA 0.322 4.873 4.556 -0.009 0.000 0.225 768 H C -1.325 174.023 175.328 0.035 0.000 1.422 768 H CA -0.698 55.394 56.048 0.074 0.000 1.335 768 H CB 0.058 29.866 29.762 0.077 0.000 1.783 768 H HN -0.133 nan 8.280 nan 0.000 0.513 769 D N 1.381 121.785 120.400 0.006 0.000 2.428 769 D HA 0.164 4.799 4.640 -0.009 0.000 0.221 769 D C 0.790 177.015 176.300 -0.124 0.000 1.123 769 D CA -0.587 53.385 54.000 -0.048 0.000 0.869 769 D CB 0.848 41.593 40.800 -0.092 0.000 1.032 769 D HN 0.531 nan 8.370 nan 0.000 0.506 770 R N 2.366 122.699 120.500 -0.278 0.000 2.235 770 R HA -0.002 4.333 4.340 -0.009 0.000 0.213 770 R C 0.557 176.339 176.300 -0.864 0.000 1.059 770 R CA 0.798 56.534 56.100 -0.607 0.000 0.997 770 R CB 0.116 29.888 30.300 -0.880 0.000 0.884 770 R HN 0.403 nan 8.270 nan 0.000 0.462 771 F N 0.647 120.545 119.950 -0.087 0.000 2.639 771 F HA 0.259 4.781 4.527 -0.009 0.000 0.302 771 F C 0.013 175.680 175.800 -0.223 0.000 1.097 771 F CA -0.752 57.181 58.000 -0.112 0.000 1.294 771 F CB 0.104 39.093 39.000 -0.017 0.000 1.027 771 F HN -0.247 nan 8.300 nan 0.000 0.550 772 K N -0.281 119.914 120.400 -0.342 0.000 3.490 772 K HA -0.187 4.127 4.320 -0.009 0.000 0.273 772 K C 0.996 177.467 176.600 -0.215 0.000 0.916 772 K CA 0.183 56.109 56.287 -0.603 0.000 0.718 772 K CB -1.810 30.206 32.500 -0.806 0.000 1.477 772 K HN 0.221 nan 8.250 nan 0.000 0.452 773 V N 0.154 120.014 119.914 -0.088 0.000 2.287 773 V HA -0.293 3.822 4.120 -0.009 0.000 0.248 773 V C 2.003 178.226 176.094 0.216 0.000 1.053 773 V CA 2.283 64.612 62.300 0.049 0.000 1.027 773 V CB -0.532 31.321 31.823 0.049 0.000 0.646 773 V HN 0.532 nan 8.190 nan 0.000 0.447 774 F N 0.304 120.247 119.950 -0.011 0.000 2.161 774 F HA -0.217 4.304 4.527 -0.009 0.000 0.300 774 F C 2.563 178.161 175.800 -0.336 0.000 1.089 774 F CA 0.714 58.657 58.000 -0.095 0.000 1.282 774 F CB -0.447 38.503 39.000 -0.083 0.000 1.010 774 F HN 0.207 nan 8.300 nan 0.000 0.485 775 A N -0.452 122.196 122.820 -0.287 0.000 2.024 775 A HA -0.213 4.101 4.320 -0.009 0.000 0.220 775 A C 1.440 179.030 177.584 0.010 0.000 1.164 775 A CA 2.002 53.814 52.037 -0.375 0.000 0.643 775 A CB -0.485 18.424 19.000 -0.153 0.000 0.806 775 A HN 0.262 nan 8.150 nan 0.000 0.451 776 D N -2.961 117.497 120.400 0.098 0.000 2.398 776 D HA 0.102 4.737 4.640 -0.009 0.000 0.210 776 D C 1.104 177.577 176.300 0.288 0.000 1.094 776 D CA -0.087 54.041 54.000 0.214 0.000 0.839 776 D CB -0.096 40.832 40.800 0.213 0.000 0.963 776 D HN 0.594 nan 8.370 nan 0.000 0.506 777 Y N 2.099 122.490 120.300 0.152 0.000 2.097 777 Y HA -0.211 4.334 4.550 -0.009 0.000 0.282 777 Y C 2.109 178.101 175.900 0.153 0.000 1.152 777 Y CA 1.869 60.067 58.100 0.163 0.000 1.136 777 Y CB 0.200 38.721 38.460 0.102 0.000 0.975 777 Y HN -0.114 nan 8.280 nan 0.000 0.498 778 E N -0.005 120.268 120.200 0.122 0.000 2.038 778 E HA -0.254 4.090 4.350 -0.009 0.000 0.195 778 E C 2.169 178.740 176.600 -0.049 0.000 1.000 778 E CA 1.671 58.068 56.400 -0.005 0.000 0.803 778 E CB -0.182 29.614 29.700 0.160 0.000 0.750 778 E HN 0.632 nan 8.360 nan 0.000 0.448 779 E N -0.252 119.998 120.200 0.084 0.000 2.153 779 E HA -0.195 4.150 4.350 -0.009 0.000 0.194 779 E C 1.920 178.516 176.600 -0.007 0.000 0.988 779 E CA 0.679 57.148 56.400 0.114 0.000 0.811 779 E CB -0.128 29.733 29.700 0.268 0.000 0.746 779 E HN 0.280 nan 8.360 nan 0.000 0.466 780 Y N 1.407 121.534 120.300 -0.289 0.000 2.114 780 Y HA -0.230 4.314 4.550 -0.009 0.000 0.284 780 Y C 2.165 177.665 175.900 -0.667 0.000 1.143 780 Y CA 1.046 58.636 58.100 -0.849 0.000 1.135 780 Y CB -0.548 37.501 38.460 -0.685 0.000 0.980 780 Y HN -0.216 nan 8.280 nan 0.000 0.499 781 V N 0.891 120.448 119.914 -0.596 0.000 2.332 781 V HA -0.329 3.786 4.120 -0.009 0.000 0.248 781 V C 2.309 178.164 176.094 -0.399 0.000 1.055 781 V CA 2.379 64.338 62.300 -0.569 0.000 1.038 781 V CB -0.620 30.902 31.823 -0.501 0.000 0.651 781 V HN 0.343 nan 8.190 nan 0.000 0.450 782 K N -0.926 119.308 120.400 -0.277 0.000 2.057 782 K HA -0.205 4.109 4.320 -0.009 0.000 0.207 782 K C 2.292 178.786 176.600 -0.176 0.000 1.049 782 K CA 1.676 57.864 56.287 -0.166 0.000 0.931 782 K CB -0.588 31.866 32.500 -0.076 0.000 0.714 782 K HN 0.527 nan 8.250 nan 0.000 0.440 783 C N 1.509 120.672 119.300 -0.228 0.000 2.425 783 C HA -0.083 4.371 4.460 -0.009 0.000 0.277 783 C C 2.649 177.432 174.990 -0.345 0.000 1.280 783 C CA 0.777 59.683 59.018 -0.187 0.000 1.744 783 C CB -0.628 27.014 27.740 -0.163 0.000 1.989 783 C HN 0.426 nan 8.230 nan 0.000 0.491 784 Q N 0.488 119.950 119.800 -0.564 0.000 2.170 784 Q HA -0.164 4.170 4.340 -0.009 0.000 0.203 784 Q C 2.003 177.788 176.000 -0.358 0.000 0.976 784 Q CA 1.607 57.040 55.803 -0.616 0.000 0.858 784 Q CB -0.368 27.778 28.738 -0.986 0.000 0.907 784 Q HN 0.765 nan 8.270 nan 0.000 0.433 785 E N 0.154 120.202 120.200 -0.252 0.000 2.072 785 E HA -0.122 4.222 4.350 -0.009 0.000 0.191 785 E C 2.042 178.582 176.600 -0.100 0.000 0.985 785 E CA 0.496 56.811 56.400 -0.142 0.000 0.801 785 E CB -0.055 29.585 29.700 -0.101 0.000 0.750 785 E HN 0.254 nan 8.360 nan 0.000 0.452 786 R N 0.531 120.977 120.500 -0.090 0.000 2.148 786 R HA -0.069 4.265 4.340 -0.009 0.000 0.227 786 R C 2.342 178.618 176.300 -0.039 0.000 1.103 786 R CA 0.666 56.776 56.100 0.016 0.000 0.983 786 R CB -0.135 30.246 30.300 0.136 0.000 0.874 786 R HN 0.056 nan 8.270 nan 0.000 0.451 787 V N 0.232 119.938 119.914 -0.346 0.000 2.307 787 V HA -0.205 3.910 4.120 -0.009 0.000 0.245 787 V C 2.073 178.143 176.094 -0.040 0.000 1.045 787 V CA 1.852 63.856 62.300 -0.493 0.000 1.024 787 V CB -0.230 31.187 31.823 -0.677 0.000 0.651 787 V HN 0.266 nan 8.190 nan 0.000 0.449 788 S N 0.165 115.811 115.700 -0.089 0.000 2.399 788 S HA -0.127 4.337 4.470 -0.009 0.000 0.231 788 S C 2.169 176.815 174.600 0.076 0.000 1.022 788 S CA 1.282 59.464 58.200 -0.030 0.000 0.983 788 S CB -0.383 62.765 63.200 -0.087 0.000 0.803 788 S HN 0.641 nan 8.310 nan 0.000 0.480 789 A N 1.293 124.162 122.820 0.081 0.000 1.898 789 A HA 0.066 4.381 4.320 -0.009 0.000 0.216 789 A C 2.071 179.764 177.584 0.182 0.000 1.181 789 A CA 0.942 53.049 52.037 0.117 0.000 0.620 789 A CB -0.649 18.410 19.000 0.098 0.000 0.819 789 A HN 0.460 nan 8.150 nan 0.000 0.442 790 L N -2.020 119.370 121.223 0.279 0.000 2.141 790 L HA -0.136 4.198 4.340 -0.009 0.000 0.209 790 L C 2.437 179.583 176.870 0.461 0.000 1.094 790 L CA 1.502 56.581 54.840 0.397 0.000 0.763 790 L CB -0.335 42.057 42.059 0.554 0.000 0.908 790 L HN 0.583 nan 8.230 nan 0.000 0.437 791 Y N 0.907 121.345 120.300 0.230 0.000 2.403 791 Y HA -0.249 4.297 4.550 -0.008 0.000 0.291 791 Y C 2.323 178.152 175.900 -0.118 0.000 1.143 791 Y CA 1.512 59.481 58.100 -0.218 0.000 1.257 791 Y CB -0.047 38.082 38.460 -0.552 0.000 0.984 791 Y HN 0.067 nan 8.280 nan 0.000 0.550 792 K N -0.226 120.203 120.400 0.049 0.000 2.439 792 K HA -0.095 4.220 4.320 -0.009 0.000 0.197 792 K C 0.421 177.005 176.600 -0.026 0.000 1.041 792 K CA 0.587 56.888 56.287 0.024 0.000 0.970 792 K CB -0.020 32.544 32.500 0.107 0.000 0.773 792 K HN 0.042 nan 8.250 nan 0.000 0.479 793 N N 0.637 119.338 118.700 0.001 0.000 2.976 793 N HA 0.133 4.867 4.740 -0.009 0.000 0.255 793 N C -2.444 173.069 175.510 0.005 0.000 1.312 793 N CA -2.107 50.951 53.050 0.013 0.000 0.897 793 N CB 1.071 39.598 38.487 0.066 0.000 1.184 793 N HN -0.186 nan 8.380 nan 0.000 0.497 794 P HA -0.243 nan 4.420 nan 0.000 0.219 794 P C 1.415 178.723 177.300 0.013 0.000 1.158 794 P CA 1.397 64.422 63.100 -0.125 0.000 0.895 794 P CB 0.304 31.906 31.700 -0.165 0.000 0.792 795 R N -0.113 120.395 120.500 0.013 0.000 2.073 795 R HA -0.171 4.164 4.340 -0.009 0.000 0.234 795 R C 1.921 178.261 176.300 0.067 0.000 1.134 795 R CA 1.542 57.663 56.100 0.034 0.000 0.952 795 R CB -0.426 29.886 30.300 0.020 0.000 0.850 795 R HN 0.117 nan 8.270 nan 0.000 0.433 796 E N -0.162 120.088 120.200 0.083 0.000 2.216 796 E HA -0.196 4.148 4.350 -0.009 0.000 0.192 796 E C 1.587 178.261 176.600 0.123 0.000 0.988 796 E CA 0.528 56.980 56.400 0.087 0.000 0.834 796 E CB -0.365 29.384 29.700 0.081 0.000 0.772 796 E HN 0.532 nan 8.360 nan 0.000 0.479 797 W N 2.196 123.490 121.300 -0.009 0.000 2.379 797 W HA -0.149 4.505 4.660 -0.010 0.000 0.307 797 W C 1.500 178.022 176.519 0.006 0.000 1.200 797 W CA 1.899 59.253 57.345 0.015 0.000 1.297 797 W CB -0.370 29.071 29.460 -0.032 0.000 1.140 797 W HN 0.003 nan 8.180 nan 0.000 0.507 798 T N 1.342 116.037 114.554 0.234 0.000 2.788 798 T HA -0.162 4.183 4.350 -0.009 0.000 0.268 798 T C 1.851 176.561 174.700 0.017 0.000 1.044 798 T CA 1.642 63.810 62.100 0.114 0.000 1.139 798 T CB -0.261 68.656 68.868 0.082 0.000 0.867 798 T HN 0.177 nan 8.240 nan 0.000 0.454 799 R N 0.449 120.963 120.500 0.024 0.000 2.092 799 R HA 0.105 4.439 4.340 -0.009 0.000 0.231 799 R C 2.499 178.787 176.300 -0.020 0.000 1.119 799 R CA 1.144 57.257 56.100 0.020 0.000 0.970 799 R CB -0.335 29.983 30.300 0.030 0.000 0.864 799 R HN 0.365 nan 8.270 nan 0.000 0.440 800 M N 0.542 120.092 119.600 -0.083 0.000 2.175 800 M HA -0.132 4.343 4.480 -0.009 0.000 0.264 800 M C 1.934 178.141 176.300 -0.156 0.000 1.063 800 M CA 1.338 56.551 55.300 -0.144 0.000 1.119 800 M CB 0.184 32.636 32.600 -0.247 0.000 1.377 800 M HN -0.020 nan 8.290 nan 0.000 0.415 801 V N 0.940 120.742 119.914 -0.185 0.000 2.287 801 V HA -0.317 3.797 4.120 -0.009 0.000 0.248 801 V C 2.228 178.302 176.094 -0.034 0.000 1.053 801 V CA 2.031 64.252 62.300 -0.131 0.000 1.027 801 V CB -0.613 31.159 31.823 -0.084 0.000 0.646 801 V HN 0.510 nan 8.190 nan 0.000 0.447 802 I N -0.475 120.096 120.570 0.002 0.000 2.264 802 I HA -0.284 3.880 4.170 -0.009 0.000 0.248 802 I C 2.692 178.856 176.117 0.079 0.000 1.111 802 I CA 1.612 62.961 61.300 0.081 0.000 1.382 802 I CB -0.431 37.664 38.000 0.158 0.000 1.060 802 I HN 0.248 nan 8.210 nan 0.000 0.418 803 R N 0.404 120.927 120.500 0.038 0.000 2.148 803 R HA -0.106 4.228 4.340 -0.009 0.000 0.227 803 R C 2.032 178.362 176.300 0.050 0.000 1.103 803 R CA 1.118 57.240 56.100 0.036 0.000 0.983 803 R CB -0.364 29.941 30.300 0.008 0.000 0.874 803 R HN 0.527 nan 8.270 nan 0.000 0.451 804 N N 0.634 119.357 118.700 0.038 0.000 2.148 804 N HA -0.058 4.676 4.740 -0.009 0.000 0.186 804 N C 1.954 177.522 175.510 0.097 0.000 1.031 804 N CA 1.052 54.148 53.050 0.076 0.000 0.848 804 N CB -0.001 38.500 38.487 0.024 0.000 1.005 804 N HN 0.102 nan 8.380 nan 0.000 0.427 805 I N 1.715 122.330 120.570 0.075 0.000 2.194 805 I HA -0.261 3.904 4.170 -0.009 0.000 0.246 805 I C 2.463 178.631 176.117 0.085 0.000 1.093 805 I CA 0.982 62.332 61.300 0.083 0.000 1.355 805 I CB -0.357 37.686 38.000 0.071 0.000 1.046 805 I HN 0.104 nan 8.210 nan 0.000 0.413 806 A N 0.340 123.210 122.820 0.083 0.000 2.019 806 A HA -0.172 4.143 4.320 -0.009 0.000 0.219 806 A C 2.084 179.706 177.584 0.063 0.000 1.164 806 A CA 2.094 54.171 52.037 0.067 0.000 0.644 806 A CB -0.855 18.187 19.000 0.071 0.000 0.805 806 A HN 0.544 nan 8.150 nan 0.000 0.449 807 T N -2.894 111.711 114.554 0.086 0.000 3.215 807 T HA 0.207 4.552 4.350 -0.009 0.000 0.271 807 T C 1.074 175.865 174.700 0.152 0.000 1.012 807 T CA 0.611 62.766 62.100 0.091 0.000 0.899 807 T CB -0.180 68.740 68.868 0.088 0.000 1.089 807 T HN 0.470 nan 8.240 nan 0.000 0.552 808 S N -0.086 115.718 115.700 0.175 0.000 2.593 808 S HA 0.259 4.724 4.470 -0.009 0.000 0.217 808 S C 2.219 176.941 174.600 0.202 0.000 0.966 808 S CA 0.254 58.630 58.200 0.294 0.000 0.914 808 S CB -0.588 62.762 63.200 0.249 0.000 0.776 808 S HN 0.522 nan 8.310 nan 0.000 0.523 809 G N 2.876 111.722 108.800 0.076 0.000 2.505 809 G HA2 -0.329 3.626 3.960 -0.009 0.000 0.220 809 G HA3 -0.329 3.626 3.960 -0.009 0.000 0.220 809 G C 1.322 176.166 174.900 -0.093 0.000 1.145 809 G CA 1.151 46.261 45.100 0.016 0.000 0.761 809 G HN 0.614 nan 8.290 nan 0.000 0.571 810 K N -0.114 120.111 120.400 -0.291 0.000 2.281 810 K HA -0.046 4.269 4.320 -0.009 0.000 0.203 810 K C 1.290 177.527 176.600 -0.606 0.000 1.046 810 K CA 0.785 56.757 56.287 -0.525 0.000 0.938 810 K CB -0.283 31.734 32.500 -0.805 0.000 0.737 810 K HN 0.413 nan 8.250 nan 0.000 0.458 811 F N 0.966 120.945 119.950 0.048 0.000 2.693 811 F HA 0.122 4.643 4.527 -0.010 0.000 0.303 811 F C 0.797 176.642 175.800 0.076 0.000 1.143 811 F CA -0.529 57.506 58.000 0.059 0.000 1.389 811 F CB 0.339 39.370 39.000 0.052 0.000 1.060 811 F HN -0.114 nan 8.300 nan 0.000 0.535 812 S N 0.230 116.003 115.700 0.122 0.000 2.545 812 S HA 0.092 4.557 4.470 -0.009 0.000 0.275 812 S C 1.401 176.081 174.600 0.133 0.000 1.299 812 S CA -0.313 57.962 58.200 0.126 0.000 1.048 812 S CB 0.850 64.094 63.200 0.075 0.000 0.938 812 S HN 0.331 nan 8.310 nan 0.000 0.496 813 S N 3.290 119.096 115.700 0.177 0.000 2.547 813 S HA -0.074 4.391 4.470 -0.009 0.000 0.235 813 S C 0.895 175.555 174.600 0.101 0.000 0.980 813 S CA 0.657 58.986 58.200 0.216 0.000 0.941 813 S CB -0.320 63.083 63.200 0.338 0.000 0.763 813 S HN 0.783 nan 8.310 nan 0.000 0.532 814 D N 1.843 122.284 120.400 0.068 0.000 2.144 814 D HA -0.054 4.581 4.640 -0.009 0.000 0.200 814 D C 2.111 178.416 176.300 0.008 0.000 0.978 814 D CA 0.689 54.706 54.000 0.028 0.000 0.833 814 D CB -0.298 40.515 40.800 0.021 0.000 0.961 814 D HN 0.274 nan 8.370 nan 0.000 0.470 815 R N 0.874 121.380 120.500 0.010 0.000 2.066 815 R HA -0.079 4.256 4.340 -0.009 0.000 0.232 815 R C 1.831 178.121 176.300 -0.016 0.000 1.131 815 R CA 1.316 57.407 56.100 -0.016 0.000 0.955 815 R CB -0.767 29.509 30.300 -0.040 0.000 0.851 815 R HN 0.106 nan 8.270 nan 0.000 0.432 816 T N 2.263 116.831 114.554 0.022 0.000 2.652 816 T HA -0.121 4.224 4.350 -0.009 0.000 0.267 816 T C 1.930 176.627 174.700 -0.005 0.000 1.039 816 T CA 1.423 63.552 62.100 0.049 0.000 1.153 816 T CB -0.135 68.838 68.868 0.175 0.000 0.863 816 T HN 0.104 nan 8.240 nan 0.000 0.428 817 I N 1.674 122.167 120.570 -0.128 0.000 2.286 817 I HA -0.102 4.063 4.170 -0.009 0.000 0.248 817 I C 2.899 178.966 176.117 -0.083 0.000 1.115 817 I CA 0.962 62.149 61.300 -0.188 0.000 1.392 817 I CB -1.611 36.286 38.000 -0.171 0.000 1.065 817 I HN 0.196 nan 8.210 nan 0.000 0.418 818 A N 0.184 122.976 122.820 -0.047 0.000 1.933 818 A HA -0.227 4.088 4.320 -0.009 0.000 0.218 818 A C 2.247 179.786 177.584 -0.075 0.000 1.175 818 A CA 1.367 53.384 52.037 -0.033 0.000 0.628 818 A CB -0.511 18.476 19.000 -0.022 0.000 0.814 818 A HN 0.514 nan 8.150 nan 0.000 0.444 819 Q N -1.926 117.811 119.800 -0.105 0.000 2.083 819 Q HA -0.144 4.191 4.340 -0.009 0.000 0.198 819 Q C 1.904 177.734 176.000 -0.282 0.000 0.969 819 Q CA 1.514 57.216 55.803 -0.169 0.000 0.838 819 Q CB -0.288 28.340 28.738 -0.183 0.000 0.900 819 Q HN 0.816 nan 8.270 nan 0.000 0.436 820 Y N 0.667 120.673 120.300 -0.490 0.000 2.181 820 Y HA -0.275 4.270 4.550 -0.009 0.000 0.288 820 Y C 2.471 177.789 175.900 -0.970 0.000 1.146 820 Y CA 1.275 58.836 58.100 -0.899 0.000 1.164 820 Y CB -0.375 37.244 38.460 -1.403 0.000 0.982 820 Y HN 0.156 nan 8.280 nan 0.000 0.515 821 A N 0.296 122.872 122.820 -0.406 0.000 1.883 821 A HA -0.219 4.096 4.320 -0.009 0.000 0.217 821 A C 2.255 179.849 177.584 0.017 0.000 1.186 821 A CA 2.010 54.055 52.037 0.014 0.000 0.624 821 A CB -0.522 18.568 19.000 0.151 0.000 0.822 821 A HN 0.416 nan 8.150 nan 0.000 0.444 822 R N -0.587 119.884 120.500 -0.047 0.000 2.075 822 R HA -0.026 4.308 4.340 -0.009 0.000 0.226 822 R C 1.816 178.092 176.300 -0.041 0.000 1.114 822 R CA 1.406 57.492 56.100 -0.024 0.000 0.972 822 R CB -0.222 30.059 30.300 -0.031 0.000 0.869 822 R HN 0.668 nan 8.270 nan 0.000 0.437 823 E N -0.262 119.874 120.200 -0.107 0.000 2.447 823 E HA 0.069 4.414 4.350 -0.009 0.000 0.195 823 E C 1.460 178.010 176.600 -0.084 0.000 1.028 823 E CA 0.528 56.869 56.400 -0.098 0.000 0.876 823 E CB 0.475 30.089 29.700 -0.144 0.000 0.885 823 E HN 0.338 nan 8.360 nan 0.000 0.500 824 I N -1.206 119.284 120.570 -0.134 0.000 3.878 824 I HA 0.021 4.186 4.170 -0.009 0.000 0.273 824 I C 1.295 177.548 176.117 0.227 0.000 1.165 824 I CA -0.091 61.190 61.300 -0.032 0.000 1.360 824 I CB 0.225 38.065 38.000 -0.266 0.000 1.539 824 I HN 0.104 nan 8.210 nan 0.000 0.447 825 W N 1.669 123.060 121.300 0.152 0.000 2.770 825 W HA 0.309 4.963 4.660 -0.009 0.000 0.256 825 W C 1.530 178.085 176.519 0.060 0.000 1.291 825 W CA 0.823 58.239 57.345 0.119 0.000 1.396 825 W CB -1.107 28.410 29.460 0.095 0.000 1.114 825 W HN 0.340 nan 8.180 nan 0.000 0.637 826 G N 1.096 110.035 108.800 0.232 0.000 2.225 826 G HA2 -0.121 3.834 3.960 -0.009 0.000 0.264 826 G HA3 -0.121 3.834 3.960 -0.009 0.000 0.264 826 G C -0.269 174.702 174.900 0.119 0.000 1.060 826 G CA 0.278 45.456 45.100 0.131 0.000 0.833 826 G HN 0.421 nan 8.290 nan 0.000 0.498 827 V N -4.391 115.614 119.914 0.151 0.000 2.962 827 V HA 0.910 5.024 4.120 -0.009 0.000 0.313 827 V C -0.357 175.797 176.094 0.099 0.000 1.099 827 V CA -1.698 60.671 62.300 0.115 0.000 0.971 827 V CB 2.331 34.230 31.823 0.127 0.000 1.028 827 V HN 0.123 nan 8.190 nan 0.000 0.430 828 E N 3.807 124.048 120.200 0.068 0.000 2.197 828 E HA 0.528 4.872 4.350 -0.009 0.000 0.281 828 E C -2.472 174.164 176.600 0.060 0.000 0.995 828 E CA -1.717 54.716 56.400 0.055 0.000 0.808 828 E CB 1.912 31.636 29.700 0.040 0.000 1.093 828 E HN 0.772 nan 8.360 nan 0.000 0.394 829 P HA 0.140 nan 4.420 nan 0.000 0.274 829 P C -0.545 176.784 177.300 0.049 0.000 1.237 829 P CA -0.388 62.746 63.100 0.057 0.000 0.793 829 P CB 1.082 32.811 31.700 0.049 0.000 0.977 830 S N 0.507 116.238 115.700 0.052 0.000 2.548 830 S HA 0.375 4.839 4.470 -0.009 0.000 0.276 830 S C 0.164 174.792 174.600 0.045 0.000 1.129 830 S CA -0.753 57.477 58.200 0.049 0.000 0.931 830 S CB 1.032 64.269 63.200 0.061 0.000 1.068 830 S HN 0.296 nan 8.310 nan 0.000 0.480 831 R N 2.433 122.956 120.500 0.037 0.000 2.552 831 R HA 0.214 4.548 4.340 -0.009 0.000 0.314 831 R C -0.329 175.985 176.300 0.024 0.000 1.041 831 R CA -0.064 56.056 56.100 0.034 0.000 1.076 831 R CB 0.419 30.738 30.300 0.033 0.000 1.290 831 R HN 0.667 nan 8.270 nan 0.000 0.563 832 Q N 1.183 120.997 119.800 0.024 0.000 2.286 832 Q HA 0.220 4.554 4.340 -0.009 0.000 0.257 832 Q C -0.174 175.823 176.000 -0.006 0.000 0.941 832 Q CA -0.051 55.758 55.803 0.011 0.000 0.912 832 Q CB 1.439 30.188 28.738 0.018 0.000 1.192 832 Q HN -0.084 nan 8.270 nan 0.000 0.410 833 R N 1.949 122.436 120.500 -0.021 0.000 2.543 833 R HA 0.246 4.581 4.340 -0.009 0.000 0.277 833 R C -0.161 176.102 176.300 -0.062 0.000 1.074 833 R CA -0.148 55.928 56.100 -0.041 0.000 1.076 833 R CB 0.484 30.758 30.300 -0.044 0.000 0.993 833 R HN 0.440 nan 8.270 nan 0.000 0.459 834 L N 4.033 125.204 121.223 -0.086 0.000 2.421 834 L HA 0.359 4.693 4.340 -0.009 0.000 0.263 834 L C -1.879 174.932 176.870 -0.099 0.000 1.122 834 L CA -2.202 52.557 54.840 -0.135 0.000 0.804 834 L CB 1.017 42.965 42.059 -0.184 0.000 1.150 834 L HN 0.301 nan 8.230 nan 0.000 0.457 835 P HA -0.013 nan 4.420 nan 0.000 0.269 835 P C -0.646 176.624 177.300 -0.049 0.000 1.211 835 P CA -0.060 63.003 63.100 -0.063 0.000 0.781 835 P CB 0.470 32.136 31.700 -0.057 0.000 0.877 836 A N 0.000 122.801 122.820 -0.032 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.009 0.000 0.244 836 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 836 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486