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 3g2i_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 CAYTNHTVLP 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 EASGTGNMXF 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 0.000 175.981 176.000 -0.031 0.000 1.003 12 Q CA 0.000 55.771 55.803 -0.053 0.000 1.022 12 Q CB 0.000 28.702 28.738 -0.059 0.000 1.108 13 I N -1.050 119.507 120.570 -0.021 0.000 2.648 13 I HA 0.576 4.737 4.170 -0.014 0.000 0.304 13 I C 0.881 176.998 176.117 -0.001 0.000 1.009 13 I CA -0.426 60.870 61.300 -0.007 0.000 1.114 13 I CB 1.964 39.964 38.000 -0.000 0.000 1.293 13 I HN 0.143 nan 8.210 nan 0.000 0.449 14 S N 2.638 118.344 115.700 0.009 0.000 2.356 14 S HA -0.146 4.315 4.470 -0.014 0.000 0.223 14 S C 1.791 176.401 174.600 0.017 0.000 1.032 14 S CA 1.985 60.192 58.200 0.013 0.000 1.005 14 S CB -0.501 62.712 63.200 0.021 0.000 0.867 14 S HN 0.750 nan 8.310 nan 0.000 0.449 15 V N 0.202 120.134 119.914 0.030 0.000 2.867 15 V HA 0.050 4.161 4.120 -0.014 0.000 0.260 15 V C 1.940 178.050 176.094 0.026 0.000 1.099 15 V CA 1.497 63.819 62.300 0.036 0.000 1.122 15 V CB -0.989 30.863 31.823 0.049 0.000 0.708 15 V HN 0.364 nan 8.190 nan 0.000 0.490 16 R N 1.246 121.753 120.500 0.011 0.000 2.313 16 R HA 0.402 4.733 4.340 -0.014 0.000 0.199 16 R C 1.175 177.466 176.300 -0.015 0.000 0.958 16 R CA 0.580 56.679 56.100 -0.002 0.000 1.047 16 R CB -0.184 30.110 30.300 -0.009 0.000 0.955 16 R HN 0.796 nan 8.270 nan 0.000 0.481 17 G N 0.550 109.342 108.800 -0.014 0.000 2.728 17 G HA2 -0.220 3.732 3.960 -0.014 0.000 0.294 17 G HA3 -0.220 3.732 3.960 -0.014 0.000 0.294 17 G C -0.914 173.970 174.900 -0.026 0.000 1.342 17 G CA -1.066 44.017 45.100 -0.028 0.000 0.866 17 G HN -0.016 nan 8.290 nan 0.000 0.534 18 L N 0.586 121.791 121.223 -0.031 0.000 2.349 18 L HA 0.615 4.946 4.340 -0.014 0.000 0.275 18 L C 1.265 178.119 176.870 -0.026 0.000 1.115 18 L CA 0.605 55.430 54.840 -0.025 0.000 0.820 18 L CB 1.019 43.065 42.059 -0.023 0.000 1.135 18 L HN 1.500 nan 8.230 nan 0.000 0.445 19 A N 3.092 125.899 122.820 -0.021 0.000 3.232 19 A HA 0.561 4.872 4.320 -0.014 0.000 0.312 19 A C 0.687 178.265 177.584 -0.010 0.000 1.185 19 A CA -0.352 51.674 52.037 -0.018 0.000 1.011 19 A CB -0.277 18.711 19.000 -0.021 0.000 1.096 19 A HN 0.782 nan 8.150 nan 0.000 0.543 20 G N -0.567 108.229 108.800 -0.008 0.000 2.483 20 G HA2 0.346 4.297 3.960 -0.014 0.000 0.248 20 G HA3 0.346 4.297 3.960 -0.014 0.000 0.248 20 G C 1.066 175.969 174.900 0.005 0.000 1.248 20 G CA 0.205 45.304 45.100 -0.001 0.000 0.838 20 G HN 0.662 nan 8.290 nan 0.000 0.566 21 V N 1.604 121.522 119.914 0.007 0.000 2.380 21 V HA -0.187 3.925 4.120 -0.014 0.000 0.251 21 V C 2.593 178.697 176.094 0.017 0.000 1.063 21 V CA 2.915 65.222 62.300 0.012 0.000 1.055 21 V CB -0.332 31.497 31.823 0.010 0.000 0.657 21 V HN 0.924 nan 8.190 nan 0.000 0.455 22 E N 0.023 120.233 120.200 0.017 0.000 2.047 22 E HA -0.204 4.137 4.350 -0.014 0.000 0.191 22 E C 2.016 178.637 176.600 0.035 0.000 0.987 22 E CA 1.867 58.281 56.400 0.024 0.000 0.799 22 E CB -0.208 29.505 29.700 0.022 0.000 0.752 22 E HN 0.669 nan 8.360 nan 0.000 0.449 23 N N -0.693 118.026 118.700 0.032 0.000 2.106 23 N HA -0.127 4.605 4.740 -0.014 0.000 0.188 23 N C 1.666 177.202 175.510 0.043 0.000 1.029 23 N CA 1.207 54.282 53.050 0.042 0.000 0.848 23 N CB -0.199 38.299 38.487 0.017 0.000 1.007 23 N HN 0.004 nan 8.380 nan 0.000 0.423 24 V N 0.340 120.270 119.914 0.027 0.000 2.332 24 V HA -0.241 3.870 4.120 -0.014 0.000 0.248 24 V C 2.046 178.161 176.094 0.035 0.000 1.055 24 V CA 1.966 64.281 62.300 0.025 0.000 1.038 24 V CB -1.007 30.825 31.823 0.016 0.000 0.651 24 V HN 0.395 nan 8.190 nan 0.000 0.450 25 T N -0.572 114.004 114.554 0.036 0.000 2.746 25 T HA -0.218 4.124 4.350 -0.014 0.000 0.267 25 T C 1.927 176.662 174.700 0.059 0.000 1.039 25 T CA 1.768 63.892 62.100 0.039 0.000 1.142 25 T CB -0.206 68.681 68.868 0.031 0.000 0.866 25 T HN 0.496 nan 8.240 nan 0.000 0.444 26 E N 0.909 121.150 120.200 0.070 0.000 2.106 26 E HA -0.001 4.340 4.350 -0.014 0.000 0.192 26 E C 2.007 178.689 176.600 0.136 0.000 0.984 26 E CA 0.819 57.275 56.400 0.093 0.000 0.806 26 E CB -0.469 29.291 29.700 0.100 0.000 0.750 26 E HN 0.438 nan 8.360 nan 0.000 0.458 27 L N 0.055 121.364 121.223 0.143 0.000 2.056 27 L HA -0.144 4.188 4.340 -0.014 0.000 0.207 27 L C 2.430 179.414 176.870 0.190 0.000 1.078 27 L CA 1.342 56.291 54.840 0.182 0.000 0.749 27 L CB -0.276 41.857 42.059 0.123 0.000 0.901 27 L HN 0.055 nan 8.230 nan 0.000 0.433 28 K N 0.480 120.951 120.400 0.118 0.000 2.057 28 K HA -0.213 4.098 4.320 -0.014 0.000 0.207 28 K C 2.123 178.830 176.600 0.179 0.000 1.049 28 K CA 1.784 58.134 56.287 0.104 0.000 0.931 28 K CB -0.038 32.482 32.500 0.034 0.000 0.714 28 K HN 0.379 nan 8.250 nan 0.000 0.440 29 K N 0.111 120.596 120.400 0.141 0.000 2.103 29 K HA -0.031 4.281 4.320 -0.014 0.000 0.204 29 K C 1.635 178.326 176.600 0.152 0.000 1.052 29 K CA 1.309 57.672 56.287 0.128 0.000 0.945 29 K CB -0.126 32.422 32.500 0.080 0.000 0.722 29 K HN -0.015 nan 8.250 nan 0.000 0.443 30 N N 0.506 119.306 118.700 0.168 0.000 2.244 30 N HA -0.119 4.612 4.740 -0.014 0.000 0.183 30 N C 1.601 177.274 175.510 0.270 0.000 1.016 30 N CA 1.001 54.146 53.050 0.158 0.000 0.866 30 N CB -0.263 38.331 38.487 0.179 0.000 0.980 30 N HN 0.207 nan 8.380 nan 0.000 0.430 31 F N 2.613 122.676 119.950 0.188 0.000 2.095 31 F HA -0.139 4.380 4.527 -0.014 0.000 0.298 31 F C 2.025 177.942 175.800 0.195 0.000 1.104 31 F CA 1.357 59.482 58.000 0.208 0.000 1.232 31 F CB -0.169 38.922 39.000 0.151 0.000 0.987 31 F HN -0.024 nan 8.300 nan 0.000 0.475 32 N N 0.415 119.353 118.700 0.396 0.000 2.244 32 N HA -0.179 4.552 4.740 -0.014 0.000 0.183 32 N C 2.012 177.619 175.510 0.161 0.000 1.016 32 N CA 1.119 54.325 53.050 0.261 0.000 0.866 32 N CB -0.537 38.083 38.487 0.220 0.000 0.980 32 N HN 0.386 nan 8.380 nan 0.000 0.430 33 R N 0.299 120.891 120.500 0.154 0.000 2.073 33 R HA -0.104 4.227 4.340 -0.014 0.000 0.234 33 R C 1.825 178.221 176.300 0.160 0.000 1.134 33 R CA 1.513 57.729 56.100 0.193 0.000 0.952 33 R CB -0.244 30.077 30.300 0.035 0.000 0.850 33 R HN 0.366 nan 8.270 nan 0.000 0.433 34 H N -0.307 118.810 119.070 0.079 0.000 2.353 34 H HA -0.132 4.415 4.556 -0.014 0.000 0.300 34 H C 1.909 177.178 175.328 -0.098 0.000 1.090 34 H CA 1.515 57.541 56.048 -0.037 0.000 1.327 34 H CB 0.027 29.731 29.762 -0.096 0.000 1.383 34 H HN 0.132 nan 8.280 nan 0.000 0.508 35 L N -0.017 121.193 121.223 -0.021 0.000 2.079 35 L HA -0.214 4.118 4.340 -0.014 0.000 0.210 35 L C 2.190 179.041 176.870 -0.032 0.000 1.081 35 L CA 1.924 56.720 54.840 -0.073 0.000 0.752 35 L CB -0.431 41.593 42.059 -0.059 0.000 0.896 35 L HN 0.318 nan 8.230 nan 0.000 0.433 36 H N -1.914 117.087 119.070 -0.114 0.000 2.287 36 H HA -0.033 4.515 4.556 -0.014 0.000 0.309 36 H C 1.791 176.924 175.328 -0.325 0.000 1.059 36 H CA 2.122 58.008 56.048 -0.271 0.000 1.357 36 H CB -0.251 29.259 29.762 -0.418 0.000 1.409 36 H HN 0.285 nan 8.280 nan 0.000 0.515 37 F N -0.448 119.480 119.950 -0.036 0.000 2.270 37 F HA -0.003 4.515 4.527 -0.014 0.000 0.295 37 F C 2.520 178.237 175.800 -0.137 0.000 1.087 37 F CA 1.354 59.289 58.000 -0.108 0.000 1.365 37 F CB -0.259 38.714 39.000 -0.046 0.000 1.056 37 F HN 0.176 nan 8.300 nan 0.000 0.506 38 T N -0.137 114.441 114.554 0.039 0.000 2.901 38 T HA 0.088 4.429 4.350 -0.014 0.000 0.252 38 T C 1.949 176.552 174.700 -0.162 0.000 1.035 38 T CA 0.770 62.818 62.100 -0.088 0.000 1.142 38 T CB -0.254 68.520 68.868 -0.157 0.000 0.869 38 T HN 0.102 nan 8.240 nan 0.000 0.442 39 L N 1.331 122.464 121.223 -0.151 0.000 2.509 39 L HA 0.190 4.522 4.340 -0.014 0.000 0.222 39 L C 0.372 177.147 176.870 -0.160 0.000 1.123 39 L CA -0.066 54.677 54.840 -0.162 0.000 0.856 39 L CB -0.138 41.838 42.059 -0.139 0.000 0.985 39 L HN -0.003 nan 8.230 nan 0.000 0.456 40 V N 0.639 120.440 119.914 -0.188 0.000 5.949 40 V HA -0.277 3.835 4.120 -0.014 0.000 0.287 40 V C -0.042 175.936 176.094 -0.192 0.000 0.603 40 V CA 1.140 63.298 62.300 -0.235 0.000 0.608 40 V CB -2.169 29.541 31.823 -0.189 0.000 0.259 40 V HN 0.411 nan 8.190 nan 0.000 0.742 41 K N 0.876 121.170 120.400 -0.176 0.000 2.482 41 K HA 0.679 4.990 4.320 -0.014 0.000 0.257 41 K C -0.302 176.262 176.600 -0.061 0.000 0.969 41 K CA -0.472 55.745 56.287 -0.116 0.000 0.842 41 K CB 2.795 35.225 32.500 -0.117 0.000 1.359 41 K HN 0.582 nan 8.250 nan 0.000 0.441 42 D N -1.258 119.129 120.400 -0.022 0.000 2.392 42 D HA 0.311 4.942 4.640 -0.014 0.000 0.246 42 D C 0.474 176.805 176.300 0.051 0.000 1.013 42 D CA -0.785 53.238 54.000 0.039 0.000 0.993 42 D CB 1.111 41.935 40.800 0.039 0.000 1.219 42 D HN 0.224 nan 8.370 nan 0.000 0.538 43 R N -0.159 120.404 120.500 0.105 0.000 2.339 43 R HA 0.049 4.381 4.340 -0.014 0.000 0.199 43 R C 0.380 176.757 176.300 0.128 0.000 1.018 43 R CA 0.255 56.459 56.100 0.173 0.000 1.036 43 R CB -0.325 30.099 30.300 0.207 0.000 0.899 43 R HN 0.451 nan 8.270 nan 0.000 0.473 44 N N 0.109 118.851 118.700 0.069 0.000 2.405 44 N HA -0.057 4.674 4.740 -0.014 0.000 0.175 44 N C 1.672 177.200 175.510 0.030 0.000 1.051 44 N CA 0.868 53.948 53.050 0.050 0.000 0.899 44 N CB 0.531 39.038 38.487 0.033 0.000 1.000 44 N HN 0.154 nan 8.380 nan 0.000 0.451 45 V N -2.273 117.645 119.914 0.007 0.000 3.621 45 V HA 0.485 4.596 4.120 -0.014 0.000 0.263 45 V C 1.024 177.084 176.094 -0.057 0.000 1.272 45 V CA -0.422 61.867 62.300 -0.018 0.000 1.080 45 V CB -0.546 31.260 31.823 -0.028 0.000 0.816 45 V HN 0.052 nan 8.190 nan 0.000 0.451 46 A N 2.410 125.170 122.820 -0.101 0.000 2.511 46 A HA 0.524 4.835 4.320 -0.014 0.000 0.242 46 A C 0.745 178.158 177.584 -0.286 0.000 1.069 46 A CA 0.846 52.708 52.037 -0.291 0.000 0.763 46 A CB -0.280 18.394 19.000 -0.544 0.000 1.001 46 A HN 0.807 nan 8.150 nan 0.000 0.498 47 T N 0.200 114.587 114.554 -0.277 0.000 2.948 47 T HA 0.587 4.928 4.350 -0.014 0.000 0.285 47 T C -2.134 172.507 174.700 -0.099 0.000 1.019 47 T CA -1.791 60.243 62.100 -0.111 0.000 1.013 47 T CB 1.257 70.105 68.868 -0.034 0.000 1.117 47 T HN 0.248 nan 8.240 nan 0.000 0.533 48 P HA -0.123 nan 4.420 nan 0.000 0.216 48 P C 1.599 179.022 177.300 0.205 0.000 1.150 48 P CA 1.019 64.278 63.100 0.264 0.000 0.843 48 P CB 0.049 31.855 31.700 0.177 0.000 0.787 49 R N 0.011 120.574 120.500 0.105 0.000 2.081 49 R HA -0.143 4.189 4.340 -0.014 0.000 0.235 49 R C 1.712 178.182 176.300 0.282 0.000 1.131 49 R CA 1.809 58.001 56.100 0.154 0.000 0.960 49 R CB -0.704 29.623 30.300 0.044 0.000 0.856 49 R HN 0.105 nan 8.270 nan 0.000 0.436 50 D N -0.321 120.136 120.400 0.095 0.000 2.117 50 D HA -0.196 4.436 4.640 -0.014 0.000 0.197 50 D C 1.762 178.082 176.300 0.033 0.000 0.987 50 D CA 1.360 55.368 54.000 0.013 0.000 0.829 50 D CB -0.312 40.351 40.800 -0.229 0.000 0.961 50 D HN 0.306 nan 8.370 nan 0.000 0.460 51 Y N 0.201 120.611 120.300 0.183 0.000 2.181 51 Y HA -0.219 4.322 4.550 -0.014 0.000 0.288 51 Y C 2.346 178.394 175.900 0.246 0.000 1.146 51 Y CA 0.419 58.677 58.100 0.264 0.000 1.164 51 Y CB -1.195 37.476 38.460 0.351 0.000 0.982 51 Y HN 0.086 nan 8.280 nan 0.000 0.515 52 Y N -0.381 120.065 120.300 0.243 0.000 2.081 52 Y HA -0.318 4.224 4.550 -0.015 0.000 0.280 52 Y C 2.033 177.906 175.900 -0.045 0.000 1.163 52 Y CA 1.450 59.584 58.100 0.058 0.000 1.135 52 Y CB -1.188 37.200 38.460 -0.120 0.000 0.970 52 Y HN 0.059 nan 8.280 nan 0.000 0.498 53 F N 0.141 119.863 119.950 -0.380 0.000 2.171 53 F HA -0.150 4.369 4.527 -0.014 0.000 0.300 53 F C 2.635 178.251 175.800 -0.306 0.000 1.090 53 F CA 1.238 58.943 58.000 -0.491 0.000 1.293 53 F CB -0.783 38.125 39.000 -0.153 0.000 1.013 53 F HN 0.217 nan 8.300 nan 0.000 0.486 54 A N -0.146 122.614 122.820 -0.100 0.000 1.902 54 A HA -0.179 4.132 4.320 -0.014 0.000 0.217 54 A C 2.054 179.493 177.584 -0.241 0.000 1.181 54 A CA 1.552 53.393 52.037 -0.327 0.000 0.623 54 A CB -1.006 17.445 19.000 -0.915 0.000 0.818 54 A HN 0.338 nan 8.150 nan 0.000 0.443 55 L N -0.174 121.043 121.223 -0.010 0.000 2.017 55 L HA -0.035 4.296 4.340 -0.014 0.000 0.208 55 L C 2.689 179.542 176.870 -0.029 0.000 1.073 55 L CA 2.227 57.198 54.840 0.219 0.000 0.745 55 L CB -0.992 41.270 42.059 0.337 0.000 0.894 55 L HN 0.347 nan 8.230 nan 0.000 0.432 56 A N -1.223 121.390 122.820 -0.346 0.000 1.883 56 A HA -0.299 4.012 4.320 -0.014 0.000 0.217 56 A C 2.156 179.366 177.584 -0.623 0.000 1.186 56 A CA 2.111 53.809 52.037 -0.565 0.000 0.624 56 A CB -1.152 17.155 19.000 -1.155 0.000 0.822 56 A HN 0.698 nan 8.150 nan 0.000 0.444 57 H N -0.958 117.786 119.070 -0.543 0.000 2.387 57 H HA -0.060 4.488 4.556 -0.014 0.000 0.299 57 H C 2.352 177.370 175.328 -0.517 0.000 1.090 57 H CA 1.927 57.566 56.048 -0.683 0.000 1.332 57 H CB -0.109 29.005 29.762 -1.079 0.000 1.386 57 H HN 0.472 nan 8.280 nan 0.000 0.516 58 T N -0.312 114.172 114.554 -0.116 0.000 2.737 58 T HA -0.128 4.213 4.350 -0.014 0.000 0.265 58 T C 2.253 177.124 174.700 0.284 0.000 1.038 58 T CA 1.329 63.567 62.100 0.229 0.000 1.144 58 T CB -0.359 68.712 68.868 0.339 0.000 0.866 58 T HN 0.094 nan 8.240 nan 0.000 0.434 59 V N 1.626 121.668 119.914 0.213 0.000 2.358 59 V HA -0.119 3.993 4.120 -0.014 0.000 0.246 59 V C 2.625 178.899 176.094 0.300 0.000 1.047 59 V CA 1.529 63.989 62.300 0.266 0.000 1.035 59 V CB -0.647 31.329 31.823 0.255 0.000 0.658 59 V HN 0.375 nan 8.190 nan 0.000 0.452 60 R N 0.303 120.932 120.500 0.215 0.000 2.091 60 R HA -0.232 4.100 4.340 -0.014 0.000 0.238 60 R C 1.980 178.395 176.300 0.191 0.000 1.136 60 R CA 2.203 58.429 56.100 0.210 0.000 0.959 60 R CB -0.480 29.789 30.300 -0.051 0.000 0.856 60 R HN 0.473 nan 8.270 nan 0.000 0.437 61 D N -0.082 120.420 120.400 0.169 0.000 2.158 61 D HA -0.186 4.445 4.640 -0.014 0.000 0.197 61 D C 1.794 178.127 176.300 0.056 0.000 0.995 61 D CA 1.222 55.295 54.000 0.121 0.000 0.846 61 D CB -0.472 40.397 40.800 0.115 0.000 0.941 61 D HN 0.477 nan 8.370 nan 0.000 0.456 62 H N -0.262 118.877 119.070 0.115 0.000 2.491 62 H HA 0.016 4.564 4.556 -0.014 0.000 0.290 62 H C 2.284 177.657 175.328 0.075 0.000 1.050 62 H CA 0.397 56.495 56.048 0.084 0.000 1.309 62 H CB 0.227 30.030 29.762 0.068 0.000 1.392 62 H HN 0.202 nan 8.280 nan 0.000 0.554 63 L N 0.512 121.851 121.223 0.193 0.000 2.095 63 L HA -0.121 4.210 4.340 -0.014 0.000 0.204 63 L C 2.795 179.780 176.870 0.191 0.000 1.080 63 L CA 0.648 55.567 54.840 0.131 0.000 0.759 63 L CB -0.186 41.920 42.059 0.077 0.000 0.914 63 L HN 0.126 nan 8.230 nan 0.000 0.439 64 V N -2.651 117.403 119.914 0.233 0.000 2.343 64 V HA -0.098 4.014 4.120 -0.014 0.000 0.247 64 V C 2.322 178.538 176.094 0.203 0.000 1.051 64 V CA 1.843 64.328 62.300 0.307 0.000 1.036 64 V CB -1.759 30.209 31.823 0.242 0.000 0.654 64 V HN 0.381 nan 8.190 nan 0.000 0.451 65 G N 0.549 109.419 108.800 0.116 0.000 2.459 65 G HA2 -0.253 3.699 3.960 -0.014 0.000 0.217 65 G HA3 -0.253 3.699 3.960 -0.014 0.000 0.217 65 G C 1.765 176.711 174.900 0.076 0.000 1.183 65 G CA 1.069 46.209 45.100 0.067 0.000 0.776 65 G HN 0.543 nan 8.290 nan 0.000 0.552 66 R N -1.455 119.099 120.500 0.090 0.000 2.092 66 R HA -0.073 4.258 4.340 -0.014 0.000 0.231 66 R C 2.269 178.648 176.300 0.130 0.000 1.119 66 R CA 1.132 57.273 56.100 0.068 0.000 0.970 66 R CB -0.363 29.961 30.300 0.040 0.000 0.864 66 R HN 0.482 nan 8.270 nan 0.000 0.440 67 W N 1.660 122.939 121.300 -0.035 0.000 2.355 67 W HA -0.077 4.575 4.660 -0.014 0.000 0.309 67 W C 1.714 178.205 176.519 -0.047 0.000 1.206 67 W CA 0.923 58.245 57.345 -0.039 0.000 1.284 67 W CB -0.582 28.875 29.460 -0.004 0.000 1.145 67 W HN -0.041 nan 8.180 nan 0.000 0.502 68 I N 1.044 121.665 120.570 0.086 0.000 2.226 68 I HA -0.339 3.822 4.170 -0.014 0.000 0.245 68 I C 2.647 178.743 176.117 -0.035 0.000 1.100 68 I CA 1.985 63.251 61.300 -0.057 0.000 1.374 68 I CB -0.612 37.359 38.000 -0.050 0.000 1.057 68 I HN -0.010 nan 8.210 nan 0.000 0.413 69 R N 0.234 120.730 120.500 -0.006 0.000 2.153 69 R HA -0.024 4.308 4.340 -0.014 0.000 0.218 69 R C 1.923 178.186 176.300 -0.061 0.000 1.072 69 R CA 1.377 57.465 56.100 -0.021 0.000 0.990 69 R CB -1.142 29.149 30.300 -0.016 0.000 0.889 69 R HN 0.183 nan 8.270 nan 0.000 0.452 70 T N 1.770 116.263 114.554 -0.101 0.000 2.674 70 T HA -0.111 4.230 4.350 -0.014 0.000 0.265 70 T C 1.837 176.266 174.700 -0.452 0.000 1.039 70 T CA 1.364 63.288 62.100 -0.292 0.000 1.150 70 T CB -0.132 68.601 68.868 -0.224 0.000 0.864 70 T HN 0.235 nan 8.240 nan 0.000 0.427 71 Q N 0.785 120.465 119.800 -0.200 0.000 2.170 71 Q HA -0.099 4.233 4.340 -0.014 0.000 0.203 71 Q C 2.343 178.354 176.000 0.019 0.000 0.976 71 Q CA 1.263 57.028 55.803 -0.063 0.000 0.858 71 Q CB -0.478 28.250 28.738 -0.017 0.000 0.907 71 Q HN 0.490 nan 8.270 nan 0.000 0.433 72 Q N 0.214 120.013 119.800 -0.002 0.000 2.079 72 Q HA -0.183 4.149 4.340 -0.014 0.000 0.200 72 Q C 1.899 177.976 176.000 0.129 0.000 0.974 72 Q CA 1.903 57.749 55.803 0.072 0.000 0.840 72 Q CB -0.396 28.366 28.738 0.039 0.000 0.898 72 Q HN 0.559 nan 8.270 nan 0.000 0.430 73 H N -1.028 118.010 119.070 -0.053 0.000 2.352 73 H HA -0.181 4.367 4.556 -0.014 0.000 0.299 73 H C 1.143 176.527 175.328 0.093 0.000 1.097 73 H CA 2.270 58.296 56.048 -0.037 0.000 1.311 73 H CB -0.228 29.446 29.762 -0.146 0.000 1.377 73 H HN 0.356 nan 8.280 nan 0.000 0.504 74 Y N -1.127 119.226 120.300 0.088 0.000 2.242 74 Y HA -0.175 4.366 4.550 -0.015 0.000 0.291 74 Y C 2.406 178.338 175.900 0.053 0.000 1.137 74 Y CA 1.016 59.140 58.100 0.040 0.000 1.181 74 Y CB -1.356 37.179 38.460 0.126 0.000 0.989 74 Y HN 0.353 nan 8.280 nan 0.000 0.527 75 Y N 1.077 121.458 120.300 0.135 0.000 2.224 75 Y HA -0.201 4.340 4.550 -0.014 0.000 0.289 75 Y C 2.021 177.927 175.900 0.009 0.000 1.146 75 Y CA 1.817 59.955 58.100 0.063 0.000 1.182 75 Y CB -0.208 38.277 38.460 0.041 0.000 0.983 75 Y HN 0.201 nan 8.280 nan 0.000 0.524 76 E N -0.339 119.839 120.200 -0.036 0.000 2.051 76 E HA -0.124 4.218 4.350 -0.014 0.000 0.189 76 E C 1.999 178.499 176.600 -0.166 0.000 0.979 76 E CA 0.976 57.295 56.400 -0.135 0.000 0.803 76 E CB -0.035 29.642 29.700 -0.039 0.000 0.761 76 E HN 0.367 nan 8.360 nan 0.000 0.451 77 K N 0.771 121.060 120.400 -0.185 0.000 2.366 77 K HA -0.077 4.235 4.320 -0.014 0.000 0.198 77 K C 0.012 176.546 176.600 -0.110 0.000 1.044 77 K CA 0.526 56.708 56.287 -0.174 0.000 0.973 77 K CB -0.004 32.325 32.500 -0.286 0.000 0.767 77 K HN 0.023 nan 8.250 nan 0.000 0.475 78 D N 1.279 121.623 120.400 -0.092 0.000 2.740 78 D HA -0.104 4.527 4.640 -0.014 0.000 0.231 78 D C -2.408 173.862 176.300 -0.049 0.000 1.194 78 D CA 0.123 54.081 54.000 -0.070 0.000 0.673 78 D CB -0.096 40.635 40.800 -0.115 0.000 0.995 78 D HN 0.184 nan 8.370 nan 0.000 0.411 79 P HA 0.102 nan 4.420 nan 0.000 0.276 79 P C -0.155 177.104 177.300 -0.067 0.000 1.261 79 P CA -0.598 62.468 63.100 -0.056 0.000 0.800 79 P CB 0.628 32.283 31.700 -0.075 0.000 1.066 80 K N 1.339 121.704 120.400 -0.060 0.000 2.447 80 K HA 0.032 4.343 4.320 -0.014 0.000 0.281 80 K C -0.052 176.464 176.600 -0.140 0.000 1.031 80 K CA 0.069 56.314 56.287 -0.070 0.000 1.019 80 K CB 0.167 32.644 32.500 -0.039 0.000 0.918 80 K HN 0.265 nan 8.250 nan 0.000 0.476 81 R N 3.584 123.985 120.500 -0.165 0.000 2.368 81 R HA 0.337 4.668 4.340 -0.014 0.000 0.302 81 R C -0.518 175.509 176.300 -0.456 0.000 1.002 81 R CA -0.503 55.412 56.100 -0.307 0.000 0.929 81 R CB 0.831 30.946 30.300 -0.307 0.000 1.073 81 R HN 0.488 nan 8.270 nan 0.000 0.464 82 I N 4.229 124.472 120.570 -0.545 0.000 2.339 82 I HA 0.208 4.370 4.170 -0.014 0.000 0.290 82 I C -0.676 175.129 176.117 -0.521 0.000 0.994 82 I CA -0.844 60.088 61.300 -0.613 0.000 1.191 82 I CB 0.809 38.306 38.000 -0.839 0.000 1.343 82 I HN 0.533 nan 8.210 nan 0.000 0.458 83 Y N 5.957 126.221 120.300 -0.060 0.000 2.402 83 Y HA 0.284 4.826 4.550 -0.014 0.000 0.332 83 Y C -0.263 175.742 175.900 0.175 0.000 0.960 83 Y CA -0.721 57.466 58.100 0.145 0.000 1.228 83 Y CB 1.009 39.512 38.460 0.071 0.000 1.120 83 Y HN 0.404 nan 8.280 nan 0.000 0.491 84 Y N 4.537 125.014 120.300 0.296 0.000 2.518 84 Y HA 0.463 5.004 4.550 -0.014 0.000 0.344 84 Y C -1.183 174.990 175.900 0.455 0.000 0.982 84 Y CA -0.911 57.377 58.100 0.314 0.000 1.234 84 Y CB 0.247 38.893 38.460 0.311 0.000 1.114 84 Y HN 0.511 nan 8.280 nan 0.000 0.515 85 L N 5.003 126.286 121.223 0.100 0.000 2.265 85 L HA 0.487 4.818 4.340 -0.014 0.000 0.288 85 L C -0.227 176.660 176.870 0.029 0.000 1.058 85 L CA 0.150 55.102 54.840 0.187 0.000 0.809 85 L CB 1.345 43.481 42.059 0.129 0.000 1.179 85 L HN 0.580 nan 8.230 nan 0.000 0.429 86 S N 2.469 118.270 115.700 0.169 0.000 2.533 86 S HA 0.471 4.933 4.470 -0.014 0.000 0.271 86 S C 0.217 174.901 174.600 0.140 0.000 1.143 86 S CA -0.520 57.671 58.200 -0.015 0.000 0.891 86 S CB 0.990 63.929 63.200 -0.435 0.000 1.105 86 S HN 0.471 nan 8.310 nan 0.000 0.468 87 L N 2.887 124.233 121.223 0.205 0.000 2.599 87 L HA 0.431 4.763 4.340 -0.014 0.000 0.230 87 L C 0.338 177.406 176.870 0.330 0.000 1.141 87 L CA 1.022 56.051 54.840 0.314 0.000 0.877 87 L CB -0.060 42.201 42.059 0.336 0.000 1.009 87 L HN 0.642 nan 8.230 nan 0.000 0.447 88 E N -1.269 118.994 120.200 0.104 0.000 2.275 88 E HA 0.393 4.735 4.350 -0.014 0.000 0.270 88 E C -1.399 175.073 176.600 -0.213 0.000 0.882 88 E CA -0.433 56.014 56.400 0.079 0.000 0.758 88 E CB 1.841 31.577 29.700 0.059 0.000 1.195 88 E HN -0.164 nan 8.360 nan 0.000 0.419 89 F N 2.207 122.268 119.950 0.185 0.000 2.716 89 F HA 0.181 4.699 4.527 -0.015 0.000 0.354 89 F C -0.850 175.033 175.800 0.139 0.000 1.168 89 F CA -0.792 57.303 58.000 0.159 0.000 1.045 89 F CB 0.978 40.062 39.000 0.141 0.000 1.311 89 F HN 0.479 nan 8.300 nan 0.000 0.477 90 Y N 5.297 125.675 120.300 0.130 0.000 2.636 90 Y HA 0.225 4.767 4.550 -0.014 0.000 0.341 90 Y C 0.891 176.813 175.900 0.037 0.000 1.169 90 Y CA -1.012 57.114 58.100 0.043 0.000 1.498 90 Y CB 0.389 38.857 38.460 0.012 0.000 1.362 90 Y HN 0.558 nan 8.280 nan 0.000 0.494 91 M N 1.890 121.652 119.600 0.271 0.000 2.334 91 M HA 0.125 4.597 4.480 -0.014 0.000 0.266 91 M C 1.536 177.834 176.300 -0.004 0.000 1.082 91 M CA 1.083 56.440 55.300 0.094 0.000 1.141 91 M CB -1.173 31.449 32.600 0.037 0.000 1.380 91 M HN 0.726 nan 8.290 nan 0.000 0.440 92 G N 1.272 110.098 108.800 0.043 0.000 2.562 92 G HA2 -0.273 3.678 3.960 -0.014 0.000 0.250 92 G HA3 -0.273 3.678 3.960 -0.014 0.000 0.250 92 G C -0.274 174.594 174.900 -0.052 0.000 1.269 92 G CA -0.344 44.729 45.100 -0.045 0.000 0.919 92 G HN 0.443 nan 8.290 nan 0.000 0.574 93 R N -0.661 119.782 120.500 -0.095 0.000 2.582 93 R HA 0.527 4.858 4.340 -0.014 0.000 0.271 93 R C 1.076 177.258 176.300 -0.196 0.000 1.078 93 R CA 0.432 56.480 56.100 -0.086 0.000 1.127 93 R CB 0.605 30.857 30.300 -0.080 0.000 1.038 93 R HN 0.525 nan 8.270 nan 0.000 0.500 94 T N 1.340 115.722 114.554 -0.286 0.000 2.969 94 T HA -0.006 4.335 4.350 -0.014 0.000 0.250 94 T C 1.412 175.715 174.700 -0.661 0.000 1.021 94 T CA -0.146 61.564 62.100 -0.651 0.000 1.003 94 T CB 0.151 68.247 68.868 -1.286 0.000 1.040 94 T HN 0.328 nan 8.240 nan 0.000 0.492 95 L N 1.912 122.983 121.223 -0.254 0.000 1.976 95 L HA -0.002 4.330 4.340 -0.014 0.000 0.209 95 L C 2.455 179.289 176.870 -0.060 0.000 1.071 95 L CA 2.010 56.863 54.840 0.021 0.000 0.746 95 L CB -0.693 41.601 42.059 0.392 0.000 0.890 95 L HN 0.166 nan 8.230 nan 0.000 0.432 96 Q N -0.687 119.077 119.800 -0.060 0.000 2.084 96 Q HA -0.258 4.073 4.340 -0.014 0.000 0.202 96 Q C 2.237 178.164 176.000 -0.123 0.000 0.978 96 Q CA 1.896 57.656 55.803 -0.072 0.000 0.844 96 Q CB -0.319 28.373 28.738 -0.077 0.000 0.898 96 Q HN 0.707 nan 8.270 nan 0.000 0.426 97 N N -1.031 117.556 118.700 -0.190 0.000 2.104 97 N HA -0.154 4.578 4.740 -0.014 0.000 0.190 97 N C 1.360 176.759 175.510 -0.185 0.000 1.024 97 N CA 1.797 54.725 53.050 -0.203 0.000 0.853 97 N CB 0.064 38.395 38.487 -0.260 0.000 1.008 97 N HN 0.223 nan 8.380 nan 0.000 0.424 98 T N 1.308 115.716 114.554 -0.242 0.000 2.777 98 T HA -0.060 4.282 4.350 -0.014 0.000 0.266 98 T C 2.081 176.716 174.700 -0.108 0.000 1.040 98 T CA 1.087 63.063 62.100 -0.207 0.000 1.141 98 T CB -0.076 68.623 68.868 -0.283 0.000 0.868 98 T HN 0.260 nan 8.240 nan 0.000 0.444 99 M N 0.640 120.194 119.600 -0.078 0.000 2.086 99 M HA -0.104 4.367 4.480 -0.014 0.000 0.261 99 M C 2.513 178.777 176.300 -0.059 0.000 1.067 99 M CA 1.343 56.611 55.300 -0.053 0.000 1.116 99 M CB -0.787 31.797 32.600 -0.025 0.000 1.348 99 M HN 0.091 nan 8.290 nan 0.000 0.407 100 V N 1.088 120.973 119.914 -0.048 0.000 2.252 100 V HA -0.304 3.807 4.120 -0.014 0.000 0.249 100 V C 1.859 177.958 176.094 0.009 0.000 1.056 100 V CA 2.126 64.424 62.300 -0.003 0.000 1.022 100 V CB -0.938 30.886 31.823 0.001 0.000 0.641 100 V HN 0.482 nan 8.190 nan 0.000 0.445 101 N N -0.564 118.125 118.700 -0.018 0.000 2.396 101 N HA -0.036 4.696 4.740 -0.014 0.000 0.180 101 N C 1.043 176.449 175.510 -0.174 0.000 1.028 101 N CA 0.724 53.741 53.050 -0.054 0.000 0.893 101 N CB -0.083 38.384 38.487 -0.034 0.000 0.967 101 N HN 0.295 nan 8.380 nan 0.000 0.440 102 L N -0.286 120.856 121.223 -0.135 0.000 2.693 102 L HA 0.415 4.746 4.340 -0.014 0.000 0.235 102 L C 0.561 177.346 176.870 -0.142 0.000 1.127 102 L CA -0.276 54.486 54.840 -0.131 0.000 0.914 102 L CB -0.704 41.305 42.059 -0.084 0.000 1.193 102 L HN 0.085 nan 8.230 nan 0.000 0.502 103 A N -0.399 122.331 122.820 -0.149 0.000 2.869 103 A HA -0.228 4.084 4.320 -0.014 0.000 0.280 103 A C 1.161 178.686 177.584 -0.099 0.000 1.458 103 A CA 1.208 53.171 52.037 -0.123 0.000 0.776 103 A CB -2.044 16.871 19.000 -0.142 0.000 1.028 103 A HN 0.333 nan 8.150 nan 0.000 0.547 104 L N -1.500 119.664 121.223 -0.098 0.000 2.693 104 L HA 0.155 4.486 4.340 -0.014 0.000 0.235 104 L C 1.950 178.781 176.870 -0.064 0.000 1.127 104 L CA 0.738 55.515 54.840 -0.105 0.000 0.914 104 L CB 0.073 42.039 42.059 -0.155 0.000 1.193 104 L HN 0.649 nan 8.230 nan 0.000 0.502 105 E N 0.793 120.965 120.200 -0.047 0.000 2.058 105 E HA -0.234 4.108 4.350 -0.014 0.000 0.194 105 E C 1.682 178.268 176.600 -0.024 0.000 0.997 105 E CA 1.415 57.798 56.400 -0.028 0.000 0.801 105 E CB 0.259 29.946 29.700 -0.023 0.000 0.746 105 E HN 0.403 nan 8.360 nan 0.000 0.450 106 N N 0.035 118.718 118.700 -0.029 0.000 2.188 106 N HA -0.096 4.636 4.740 -0.014 0.000 0.184 106 N C 1.550 177.044 175.510 -0.027 0.000 1.018 106 N CA 1.182 54.214 53.050 -0.029 0.000 0.858 106 N CB -0.358 38.111 38.487 -0.030 0.000 0.989 106 N HN 0.220 nan 8.380 nan 0.000 0.426 107 A N 0.425 123.226 122.820 -0.031 0.000 1.877 107 A HA -0.150 4.161 4.320 -0.014 0.000 0.216 107 A C 2.633 180.207 177.584 -0.017 0.000 1.186 107 A CA 1.382 53.404 52.037 -0.026 0.000 0.620 107 A CB -1.024 17.951 19.000 -0.041 0.000 0.822 107 A HN 0.439 nan 8.150 nan 0.000 0.443 108 C N -0.860 118.429 119.300 -0.018 0.000 2.440 108 C HA -0.056 4.395 4.460 -0.014 0.000 0.278 108 C C 2.453 177.442 174.990 -0.001 0.000 1.295 108 C CA 1.077 60.096 59.018 0.001 0.000 1.738 108 C CB -1.135 26.617 27.740 0.020 0.000 1.987 108 C HN 0.720 nan 8.230 nan 0.000 0.492 109 D N 0.803 121.202 120.400 -0.003 0.000 2.097 109 D HA -0.148 4.484 4.640 -0.014 0.000 0.195 109 D C 2.122 178.431 176.300 0.016 0.000 0.989 109 D CA 1.531 55.532 54.000 0.001 0.000 0.827 109 D CB -0.222 40.568 40.800 -0.017 0.000 0.966 109 D HN 0.431 nan 8.370 nan 0.000 0.456 110 E N 0.170 120.373 120.200 0.005 0.000 2.028 110 E HA -0.054 4.288 4.350 -0.014 0.000 0.191 110 E C 1.914 178.544 176.600 0.049 0.000 0.988 110 E CA 1.626 58.045 56.400 0.032 0.000 0.799 110 E CB -0.676 29.028 29.700 0.007 0.000 0.755 110 E HN 0.228 nan 8.360 nan 0.000 0.447 111 A N -0.131 122.690 122.820 0.000 0.000 1.883 111 A HA -0.230 4.081 4.320 -0.014 0.000 0.217 111 A C 2.489 179.997 177.584 -0.127 0.000 1.186 111 A CA 2.997 55.008 52.037 -0.043 0.000 0.624 111 A CB -1.466 17.514 19.000 -0.034 0.000 0.822 111 A HN 0.524 nan 8.150 nan 0.000 0.444 112 T N -3.763 110.709 114.554 -0.137 0.000 2.857 112 T HA -0.197 4.145 4.350 -0.014 0.000 0.266 112 T C 1.860 176.474 174.700 -0.143 0.000 1.048 112 T CA 1.471 63.430 62.100 -0.236 0.000 1.139 112 T CB -0.604 68.164 68.868 -0.167 0.000 0.874 112 T HN 0.468 nan 8.240 nan 0.000 0.455 113 Y N 2.184 122.402 120.300 -0.137 0.000 2.165 113 Y HA -0.104 4.438 4.550 -0.013 0.000 0.286 113 Y C 2.625 178.463 175.900 -0.104 0.000 1.155 113 Y CA 1.573 59.612 58.100 -0.103 0.000 1.164 113 Y CB -0.462 37.957 38.460 -0.068 0.000 0.978 113 Y HN 0.246 nan 8.280 nan 0.000 0.513 114 Q N -0.919 118.827 119.800 -0.090 0.000 2.291 114 Q HA -0.112 4.219 4.340 -0.014 0.000 0.205 114 Q C 1.461 177.340 176.000 -0.202 0.000 0.970 114 Q CA 0.778 56.492 55.803 -0.149 0.000 0.876 114 Q CB -0.028 28.690 28.738 -0.034 0.000 0.935 114 Q HN 0.356 nan 8.270 nan 0.000 0.455 115 L N -0.903 120.178 121.223 -0.237 0.000 2.591 115 L HA 0.143 4.475 4.340 -0.014 0.000 0.228 115 L C 1.092 177.793 176.870 -0.282 0.000 1.133 115 L CA 1.171 55.853 54.840 -0.262 0.000 0.880 115 L CB -0.426 41.396 42.059 -0.394 0.000 1.033 115 L HN 0.307 nan 8.230 nan 0.000 0.450 116 G N 0.017 108.628 108.800 -0.315 0.000 2.182 116 G HA2 -0.246 3.706 3.960 -0.014 0.000 0.248 116 G HA3 -0.246 3.706 3.960 -0.014 0.000 0.248 116 G C -0.016 174.732 174.900 -0.254 0.000 1.042 116 G CA 0.190 45.110 45.100 -0.301 0.000 0.775 116 G HN 0.277 nan 8.290 nan 0.000 0.501 117 L N -0.186 120.890 121.223 -0.244 0.000 2.362 117 L HA 0.571 4.903 4.340 -0.014 0.000 0.271 117 L C -0.555 176.280 176.870 -0.060 0.000 1.002 117 L CA -1.182 53.548 54.840 -0.184 0.000 0.818 117 L CB 1.950 43.840 42.059 -0.282 0.000 1.298 117 L HN 0.081 nan 8.230 nan 0.000 0.420 118 D N 2.351 122.747 120.400 -0.007 0.000 2.347 118 D HA 0.166 4.797 4.640 -0.014 0.000 0.235 118 D C 0.628 176.956 176.300 0.046 0.000 1.149 118 D CA -0.125 53.900 54.000 0.042 0.000 0.850 118 D CB 1.504 42.333 40.800 0.049 0.000 1.061 118 D HN 0.506 nan 8.370 nan 0.000 0.487 119 M N 3.173 122.802 119.600 0.048 0.000 2.175 119 M HA -0.127 4.344 4.480 -0.014 0.000 0.264 119 M C 1.323 177.664 176.300 0.068 0.000 1.063 119 M CA 1.462 56.799 55.300 0.062 0.000 1.119 119 M CB 0.206 32.835 32.600 0.049 0.000 1.377 119 M HN 0.420 nan 8.290 nan 0.000 0.415 120 E N -0.142 120.088 120.200 0.050 0.000 2.153 120 E HA -0.255 4.086 4.350 -0.014 0.000 0.194 120 E C 1.839 178.468 176.600 0.048 0.000 0.988 120 E CA 1.357 57.782 56.400 0.042 0.000 0.811 120 E CB -0.153 29.567 29.700 0.035 0.000 0.746 120 E HN 0.626 nan 8.360 nan 0.000 0.466 121 E N 0.474 120.707 120.200 0.056 0.000 2.072 121 E HA -0.196 4.146 4.350 -0.014 0.000 0.191 121 E C 1.905 178.544 176.600 0.064 0.000 0.985 121 E CA 0.620 57.054 56.400 0.058 0.000 0.801 121 E CB 0.173 29.910 29.700 0.061 0.000 0.750 121 E HN 0.092 nan 8.360 nan 0.000 0.452 122 L N 1.466 122.749 121.223 0.100 0.000 2.093 122 L HA -0.121 4.211 4.340 -0.014 0.000 0.208 122 L C 2.083 179.012 176.870 0.097 0.000 1.085 122 L CA 1.594 56.527 54.840 0.155 0.000 0.755 122 L CB -0.671 41.534 42.059 0.243 0.000 0.904 122 L HN 0.137 nan 8.230 nan 0.000 0.435 123 E N -0.667 119.579 120.200 0.077 0.000 2.110 123 E HA -0.205 4.136 4.350 -0.014 0.000 0.193 123 E C 1.842 178.395 176.600 -0.080 0.000 0.988 123 E CA 0.897 57.310 56.400 0.023 0.000 0.804 123 E CB 0.015 29.734 29.700 0.031 0.000 0.745 123 E HN 0.400 nan 8.360 nan 0.000 0.458 124 E N 0.214 120.384 120.200 -0.050 0.000 2.338 124 E HA -0.119 4.222 4.350 -0.014 0.000 0.197 124 E C 1.872 178.401 176.600 -0.119 0.000 1.007 124 E CA 0.565 56.936 56.400 -0.049 0.000 0.849 124 E CB 0.026 29.736 29.700 0.016 0.000 0.774 124 E HN 0.394 nan 8.360 nan 0.000 0.506 125 I N 0.878 121.312 120.570 -0.227 0.000 2.500 125 I HA -0.119 4.043 4.170 -0.014 0.000 0.252 125 I C 1.379 177.179 176.117 -0.528 0.000 1.142 125 I CA 0.278 61.378 61.300 -0.333 0.000 1.451 125 I CB 0.079 37.892 38.000 -0.311 0.000 1.093 125 I HN -0.030 nan 8.210 nan 0.000 0.430 126 E N 2.775 122.513 120.200 -0.771 0.000 2.465 126 E HA -0.065 4.276 4.350 -0.014 0.000 0.260 126 E C -0.201 176.294 176.600 -0.175 0.000 0.980 126 E CA -0.143 55.883 56.400 -0.623 0.000 0.927 126 E CB 0.541 29.997 29.700 -0.407 0.000 0.934 126 E HN 0.102 nan 8.360 nan 0.000 0.459 127 E N 3.547 123.741 120.200 -0.011 0.000 2.373 127 E HA 0.032 4.373 4.350 -0.014 0.000 0.267 127 E C -0.748 175.949 176.600 0.161 0.000 1.032 127 E CA -0.153 56.326 56.400 0.132 0.000 0.889 127 E CB 0.632 30.497 29.700 0.275 0.000 0.984 127 E HN 0.502 nan 8.360 nan 0.000 0.425 128 D N 0.799 121.274 120.400 0.126 0.000 2.488 128 D HA 0.112 4.743 4.640 -0.014 0.000 0.238 128 D C -0.298 176.066 176.300 0.106 0.000 1.138 128 D CA 0.278 54.340 54.000 0.104 0.000 0.873 128 D CB 0.514 41.375 40.800 0.102 0.000 1.183 128 D HN 0.369 nan 8.370 nan 0.000 0.458 129 A N 2.559 125.404 122.820 0.041 0.000 2.544 129 A HA 0.463 4.774 4.320 -0.014 0.000 0.301 129 A C 1.043 178.476 177.584 -0.252 0.000 1.368 129 A CA -0.327 51.547 52.037 -0.272 0.000 1.045 129 A CB -0.233 18.679 19.000 -0.146 0.000 1.129 129 A HN 0.554 nan 8.150 nan 0.000 0.540 130 G N 2.223 110.770 108.800 -0.422 0.000 3.943 130 G HA2 0.423 4.374 3.960 -0.014 0.000 0.275 130 G HA3 0.423 4.374 3.960 -0.014 0.000 0.275 130 G C 0.294 174.837 174.900 -0.596 0.000 1.234 130 G CA -0.306 44.544 45.100 -0.416 0.000 1.522 130 G HN 0.687 nan 8.290 nan 0.000 0.636 131 L N 1.328 122.292 121.223 -0.431 0.000 2.862 131 L HA 0.373 4.705 4.340 -0.014 0.000 0.240 131 L C 1.036 177.825 176.870 -0.135 0.000 1.283 131 L CA -0.174 54.560 54.840 -0.177 0.000 1.117 131 L CB -0.283 41.805 42.059 0.047 0.000 1.444 131 L HN 0.327 nan 8.230 nan 0.000 0.456 132 G N -1.347 107.161 108.800 -0.487 0.000 2.660 132 G HA2 0.190 4.141 3.960 -0.014 0.000 0.290 132 G HA3 0.190 4.141 3.960 -0.014 0.000 0.290 132 G C -0.145 174.440 174.900 -0.525 0.000 1.432 132 G CA -0.459 44.421 45.100 -0.366 0.000 0.807 132 G HN -0.090 nan 8.290 nan 0.000 0.485 133 N N -0.794 117.808 118.700 -0.163 0.000 2.387 133 N HA 0.204 4.935 4.740 -0.014 0.000 0.176 133 N C 1.144 176.725 175.510 0.118 0.000 1.022 133 N CA 1.285 54.301 53.050 -0.058 0.000 0.883 133 N CB 1.236 39.754 38.487 0.051 0.000 1.019 133 N HN 0.833 nan 8.380 nan 0.000 0.435 134 G N -0.650 108.288 108.800 0.230 0.000 2.825 134 G HA2 0.154 4.106 3.960 -0.014 0.000 0.100 134 G HA3 0.154 4.106 3.960 -0.014 0.000 0.100 134 G C 0.669 175.683 174.900 0.190 0.000 1.195 134 G CA 0.214 45.471 45.100 0.261 0.000 1.317 134 G HN 0.140 nan 8.290 nan 0.000 0.632 135 G N 0.302 109.167 108.800 0.108 0.000 2.422 135 G HA2 0.026 3.977 3.960 -0.014 0.000 0.218 135 G HA3 0.026 3.977 3.960 -0.014 0.000 0.218 135 G C 1.865 176.762 174.900 -0.004 0.000 1.146 135 G CA 1.536 46.657 45.100 0.036 0.000 0.769 135 G HN 0.770 nan 8.290 nan 0.000 0.547 136 L N 0.622 121.835 121.223 -0.016 0.000 2.027 136 L HA 0.174 4.505 4.340 -0.014 0.000 0.206 136 L C 2.824 179.643 176.870 -0.084 0.000 1.074 136 L CA 1.984 56.743 54.840 -0.135 0.000 0.745 136 L CB -0.569 41.376 42.059 -0.189 0.000 0.898 136 L HN 0.189 nan 8.230 nan 0.000 0.433 137 G N -0.616 108.195 108.800 0.019 0.000 2.408 137 G HA2 -0.299 3.653 3.960 -0.014 0.000 0.217 137 G HA3 -0.299 3.653 3.960 -0.014 0.000 0.217 137 G C 1.678 176.652 174.900 0.123 0.000 1.150 137 G CA 0.685 45.821 45.100 0.059 0.000 0.776 137 G HN 0.281 nan 8.290 nan 0.000 0.542 138 R N 0.331 120.916 120.500 0.142 0.000 2.115 138 R HA 0.120 4.451 4.340 -0.014 0.000 0.226 138 R C 2.312 178.617 176.300 0.009 0.000 1.100 138 R CA 0.832 56.991 56.100 0.099 0.000 0.980 138 R CB -1.133 29.187 30.300 0.032 0.000 0.875 138 R HN 0.341 nan 8.270 nan 0.000 0.445 139 L N 0.474 121.632 121.223 -0.108 0.000 2.042 139 L HA -0.033 4.299 4.340 -0.014 0.000 0.210 139 L C 2.146 178.736 176.870 -0.467 0.000 1.076 139 L CA 2.239 56.870 54.840 -0.348 0.000 0.749 139 L CB -0.884 40.928 42.059 -0.412 0.000 0.893 139 L HN 0.242 nan 8.230 nan 0.000 0.432 140 A N -0.587 122.103 122.820 -0.216 0.000 1.908 140 A HA -0.179 4.132 4.320 -0.014 0.000 0.218 140 A C 2.443 180.113 177.584 0.143 0.000 1.181 140 A CA 1.981 53.981 52.037 -0.062 0.000 0.627 140 A CB -1.191 17.728 19.000 -0.135 0.000 0.818 140 A HN 0.582 nan 8.150 nan 0.000 0.445 141 A N -1.102 121.828 122.820 0.183 0.000 1.898 141 A HA -0.157 4.155 4.320 -0.014 0.000 0.216 141 A C 2.320 179.987 177.584 0.138 0.000 1.181 141 A CA 1.651 53.812 52.037 0.206 0.000 0.620 141 A CB -1.274 17.832 19.000 0.177 0.000 0.819 141 A HN 0.603 nan 8.150 nan 0.000 0.442 142 C N -1.486 117.893 119.300 0.132 0.000 2.429 142 C HA -0.066 4.385 4.460 -0.014 0.000 0.277 142 C C 2.429 177.586 174.990 0.277 0.000 1.262 142 C CA 0.636 59.769 59.018 0.191 0.000 1.733 142 C CB -1.613 26.256 27.740 0.215 0.000 2.010 142 C HN 0.606 nan 8.230 nan 0.000 0.483 143 F N 1.178 121.118 119.950 -0.017 0.000 2.134 143 F HA -0.076 4.442 4.527 -0.015 0.000 0.299 143 F C 2.251 177.990 175.800 -0.101 0.000 1.097 143 F CA 1.023 58.957 58.000 -0.111 0.000 1.264 143 F CB -1.375 37.418 39.000 -0.345 0.000 1.001 143 F HN 0.197 nan 8.300 nan 0.000 0.479 144 L N -0.404 120.893 121.223 0.123 0.000 2.046 144 L HA -0.253 4.078 4.340 -0.014 0.000 0.208 144 L C 2.161 179.040 176.870 0.015 0.000 1.077 144 L CA 1.972 56.837 54.840 0.041 0.000 0.747 144 L CB -0.789 41.292 42.059 0.037 0.000 0.896 144 L HN 0.110 nan 8.230 nan 0.000 0.432 145 D N -0.474 119.947 120.400 0.035 0.000 2.104 145 D HA -0.179 4.452 4.640 -0.014 0.000 0.194 145 D C 2.200 178.517 176.300 0.029 0.000 0.994 145 D CA 1.543 55.551 54.000 0.013 0.000 0.830 145 D CB 0.204 41.013 40.800 0.014 0.000 0.959 145 D HN 0.081 nan 8.370 nan 0.000 0.452 146 S N -0.758 114.978 115.700 0.060 0.000 2.383 146 S HA -0.093 4.368 4.470 -0.014 0.000 0.227 146 S C 1.985 176.602 174.600 0.028 0.000 1.026 146 S CA 0.815 59.044 58.200 0.048 0.000 0.981 146 S CB -0.210 63.026 63.200 0.061 0.000 0.818 146 S HN 0.340 nan 8.310 nan 0.000 0.472 147 M N 0.980 120.590 119.600 0.016 0.000 2.159 147 M HA -0.102 4.370 4.480 -0.014 0.000 0.263 147 M C 2.447 178.751 176.300 0.005 0.000 1.063 147 M CA 1.426 56.733 55.300 0.010 0.000 1.110 147 M CB -0.508 32.076 32.600 -0.026 0.000 1.374 147 M HN 0.397 nan 8.290 nan 0.000 0.411 148 A N -0.301 122.517 122.820 -0.004 0.000 1.898 148 A HA -0.118 4.193 4.320 -0.014 0.000 0.216 148 A C 2.165 179.762 177.584 0.022 0.000 1.181 148 A CA 2.006 54.044 52.037 0.000 0.000 0.620 148 A CB -1.057 17.925 19.000 -0.031 0.000 0.819 148 A HN 0.415 nan 8.150 nan 0.000 0.442 149 T N 0.265 114.838 114.554 0.031 0.000 2.833 149 T HA -0.001 4.340 4.350 -0.014 0.000 0.269 149 T C 1.303 176.033 174.700 0.050 0.000 1.054 149 T CA 1.125 63.258 62.100 0.054 0.000 1.135 149 T CB -0.267 68.642 68.868 0.068 0.000 0.869 149 T HN 0.341 nan 8.240 nan 0.000 0.466 150 L N 0.413 121.663 121.223 0.045 0.000 2.653 150 L HA 0.311 4.642 4.340 -0.014 0.000 0.231 150 L C 1.606 178.510 176.870 0.056 0.000 1.153 150 L CA -0.102 54.767 54.840 0.048 0.000 0.933 150 L CB -0.350 41.739 42.059 0.049 0.000 1.175 150 L HN 0.381 nan 8.230 nan 0.000 0.473 151 G N 1.153 109.989 108.800 0.059 0.000 2.249 151 G HA2 -0.288 3.663 3.960 -0.014 0.000 0.273 151 G HA3 -0.288 3.663 3.960 -0.014 0.000 0.273 151 G C 0.120 175.075 174.900 0.091 0.000 1.036 151 G CA 0.062 45.214 45.100 0.088 0.000 0.824 151 G HN 0.288 nan 8.290 nan 0.000 0.504 152 L N -0.144 121.102 121.223 0.038 0.000 2.350 152 L HA 0.589 4.921 4.340 -0.014 0.000 0.275 152 L C 1.270 178.027 176.870 -0.189 0.000 1.099 152 L CA -0.330 54.486 54.840 -0.041 0.000 0.808 152 L CB 1.512 43.559 42.059 -0.021 0.000 1.149 152 L HN 0.262 nan 8.230 nan 0.000 0.442 153 A N 3.143 125.707 122.820 -0.427 0.000 2.981 153 A HA 0.532 4.843 4.320 -0.014 0.000 0.280 153 A C 0.328 177.549 177.584 -0.605 0.000 1.743 153 A CA -0.110 51.368 52.037 -0.931 0.000 1.430 153 A CB -0.732 17.622 19.000 -1.078 0.000 1.085 153 A HN 0.695 nan 8.150 nan 0.000 0.597 154 A N 1.459 123.971 122.820 -0.513 0.000 2.340 154 A HA 0.791 5.102 4.320 -0.014 0.000 0.331 154 A C -1.028 176.280 177.584 -0.459 0.000 1.140 154 A CA -0.469 51.336 52.037 -0.387 0.000 0.801 154 A CB 0.797 19.642 19.000 -0.258 0.000 1.234 154 A HN 0.610 nan 8.150 nan 0.000 0.469 155 Y N 0.405 120.630 120.300 -0.125 0.000 2.373 155 Y HA 0.525 5.067 4.550 -0.014 0.000 0.336 155 Y C 0.863 176.842 175.900 0.132 0.000 0.979 155 Y CA -0.544 57.558 58.100 0.002 0.000 1.080 155 Y CB 2.364 40.916 38.460 0.154 0.000 1.190 155 Y HN 0.840 nan 8.280 nan 0.000 0.446 156 G N 2.343 111.212 108.800 0.116 0.000 2.353 156 G HA2 0.412 4.363 3.960 -0.014 0.000 0.284 156 G HA3 0.412 4.363 3.960 -0.014 0.000 0.284 156 G C -1.662 173.243 174.900 0.008 0.000 1.172 156 G CA -0.168 45.020 45.100 0.147 0.000 0.854 156 G HN 0.532 nan 8.290 nan 0.000 0.485 157 Y N 1.080 121.615 120.300 0.392 0.000 2.350 157 Y HA 0.622 5.163 4.550 -0.014 0.000 0.338 157 Y C 0.759 176.979 175.900 0.533 0.000 0.961 157 Y CA 0.192 58.494 58.100 0.336 0.000 1.100 157 Y CB 2.660 41.343 38.460 0.372 0.000 1.179 157 Y HN 0.869 nan 8.280 nan 0.000 0.454 158 G N 2.312 111.444 108.800 0.553 0.000 2.753 158 G HA2 0.602 4.553 3.960 -0.014 0.000 0.303 158 G HA3 0.602 4.553 3.960 -0.014 0.000 0.303 158 G C -1.768 173.372 174.900 0.400 0.000 1.242 158 G CA -0.828 44.619 45.100 0.579 0.000 0.810 158 G HN 0.427 nan 8.290 nan 0.000 0.515 159 I N 0.611 121.312 120.570 0.218 0.000 2.404 159 I HA 0.426 4.587 4.170 -0.014 0.000 0.293 159 I C 0.340 176.367 176.117 -0.151 0.000 0.992 159 I CA -0.697 60.618 61.300 0.026 0.000 1.149 159 I CB 2.187 40.011 38.000 -0.293 0.000 1.315 159 I HN 0.335 nan 8.210 nan 0.000 0.446 160 R N 6.265 126.779 120.500 0.023 0.000 2.608 160 R HA 0.214 4.545 4.340 -0.014 0.000 0.277 160 R C -1.228 175.118 176.300 0.078 0.000 1.341 160 R CA -0.430 55.713 56.100 0.071 0.000 1.199 160 R CB -0.053 30.266 30.300 0.031 0.000 1.156 160 R HN 0.401 nan 8.270 nan 0.000 0.558 161 Y N 1.539 121.998 120.300 0.266 0.000 2.511 161 Y HA -0.088 4.453 4.550 -0.014 0.000 0.332 161 Y C 1.591 177.677 175.900 0.309 0.000 1.177 161 Y CA 0.109 58.355 58.100 0.243 0.000 1.422 161 Y CB 0.737 39.311 38.460 0.190 0.000 1.271 161 Y HN 0.587 nan 8.280 nan 0.000 0.550 162 E N 2.160 122.544 120.200 0.306 0.000 2.106 162 E HA -0.073 4.269 4.350 -0.014 0.000 0.192 162 E C -0.726 175.740 176.600 -0.223 0.000 0.984 162 E CA 0.714 57.089 56.400 -0.041 0.000 0.806 162 E CB 0.170 29.751 29.700 -0.197 0.000 0.750 162 E HN 0.503 nan 8.360 nan 0.000 0.458 163 F N -0.214 119.953 119.950 0.363 0.000 2.460 163 F HA 0.435 4.953 4.527 -0.014 0.000 0.341 163 F C 0.776 176.661 175.800 0.141 0.000 1.130 163 F CA -0.848 57.320 58.000 0.280 0.000 0.962 163 F CB 1.818 40.915 39.000 0.162 0.000 1.171 163 F HN -0.107 nan 8.300 nan 0.000 0.436 164 G N 1.850 110.746 108.800 0.160 0.000 2.504 164 G HA2 0.332 4.283 3.960 -0.014 0.000 0.257 164 G HA3 0.332 4.283 3.960 -0.014 0.000 0.257 164 G C -0.504 174.339 174.900 -0.096 0.000 1.451 164 G CA -0.671 44.356 45.100 -0.122 0.000 1.059 164 G HN 0.542 nan 8.290 nan 0.000 0.550 165 I N 1.010 121.434 120.570 -0.242 0.000 2.752 165 I HA 0.200 4.361 4.170 -0.014 0.000 0.289 165 I C 0.563 176.578 176.117 -0.170 0.000 1.197 165 I CA -1.140 60.003 61.300 -0.261 0.000 1.432 165 I CB -0.389 37.353 38.000 -0.431 0.000 1.359 165 I HN 0.326 nan 8.210 nan 0.000 0.571 166 F N 6.309 126.262 119.950 0.006 0.000 2.626 166 F HA 0.227 4.746 4.527 -0.014 0.000 0.354 166 F C 0.536 176.382 175.800 0.077 0.000 1.168 166 F CA -0.522 57.507 58.000 0.048 0.000 1.368 166 F CB -0.312 38.706 39.000 0.030 0.000 1.092 166 F HN 0.429 nan 8.300 nan 0.000 0.612 167 N N 2.295 121.167 118.700 0.288 0.000 2.488 167 N HA 0.045 4.776 4.740 -0.014 0.000 0.274 167 N C -0.821 174.925 175.510 0.394 0.000 1.111 167 N CA -0.262 52.932 53.050 0.240 0.000 0.974 167 N CB 1.187 39.803 38.487 0.215 0.000 1.089 167 N HN 0.749 nan 8.380 nan 0.000 0.465 168 Q N 2.560 122.560 119.800 0.334 0.000 2.303 168 Q HA 0.158 4.489 4.340 -0.014 0.000 0.257 168 Q C -0.937 175.237 176.000 0.290 0.000 0.941 168 Q CA -0.435 55.608 55.803 0.400 0.000 0.931 168 Q CB 0.663 29.634 28.738 0.390 0.000 1.215 168 Q HN 0.222 nan 8.270 nan 0.000 0.437 169 K N 4.221 124.769 120.400 0.246 0.000 2.164 169 K HA 0.454 4.765 4.320 -0.014 0.000 0.258 169 K C -0.540 176.168 176.600 0.180 0.000 0.951 169 K CA -0.858 55.550 56.287 0.201 0.000 0.844 169 K CB 1.509 34.104 32.500 0.158 0.000 1.099 169 K HN 0.627 nan 8.250 nan 0.000 0.435 170 I N 1.939 122.611 120.570 0.170 0.000 2.321 170 I HA 0.169 4.330 4.170 -0.014 0.000 0.291 170 I C -0.128 176.055 176.117 0.109 0.000 0.998 170 I CA -0.679 60.692 61.300 0.118 0.000 1.227 170 I CB 0.970 39.027 38.000 0.095 0.000 1.368 170 I HN 0.467 nan 8.210 nan 0.000 0.466 171 C N 4.952 124.322 119.300 0.118 0.000 2.383 171 C HA 0.607 5.058 4.460 -0.014 0.000 0.330 171 C C 1.051 176.143 174.990 0.170 0.000 1.168 171 C CA 0.168 59.260 59.018 0.123 0.000 1.374 171 C CB -0.058 27.748 27.740 0.111 0.000 2.014 171 C HN 1.096 nan 8.230 nan 0.000 0.439 172 G N 3.831 112.706 108.800 0.125 0.000 2.249 172 G HA2 0.074 4.025 3.960 -0.014 0.000 0.273 172 G HA3 0.074 4.025 3.960 -0.014 0.000 0.273 172 G C 1.193 176.118 174.900 0.043 0.000 1.036 172 G CA 1.151 46.334 45.100 0.138 0.000 0.824 172 G HN 2.522 nan 8.290 nan 0.000 0.504 173 G N -2.828 105.938 108.800 -0.058 0.000 2.205 173 G HA2 -0.301 3.651 3.960 -0.014 0.000 0.261 173 G HA3 -0.301 3.651 3.960 -0.014 0.000 0.261 173 G C 0.403 175.060 174.900 -0.404 0.000 0.980 173 G CA 0.675 45.616 45.100 -0.265 0.000 0.632 173 G HN 1.194 nan 8.290 nan 0.000 0.533 174 W N 0.891 122.139 121.300 -0.088 0.000 2.449 174 W HA 0.653 5.305 4.660 -0.014 0.000 0.331 174 W C 0.681 177.147 176.519 -0.088 0.000 1.119 174 W CA -0.849 56.437 57.345 -0.098 0.000 1.240 174 W CB 0.820 30.239 29.460 -0.068 0.000 1.251 174 W HN 0.237 nan 8.180 nan 0.000 0.576 175 Q N 3.244 123.142 119.800 0.163 0.000 2.297 175 Q HA 0.206 4.537 4.340 -0.014 0.000 0.267 175 Q C -0.571 175.488 176.000 0.098 0.000 1.006 175 Q CA 0.153 56.023 55.803 0.111 0.000 0.896 175 Q CB 0.524 29.318 28.738 0.094 0.000 1.186 175 Q HN 0.314 nan 8.270 nan 0.000 0.392 176 M N 3.217 122.872 119.600 0.091 0.000 2.456 176 M HA 0.377 4.848 4.480 -0.014 0.000 0.324 176 M C -1.025 175.290 176.300 0.024 0.000 1.124 176 M CA -0.675 54.646 55.300 0.035 0.000 0.959 176 M CB 1.751 34.385 32.600 0.056 0.000 1.692 176 M HN 0.599 nan 8.290 nan 0.000 0.444 177 E N 1.803 121.943 120.200 -0.100 0.000 2.191 177 E HA 0.450 4.791 4.350 -0.014 0.000 0.278 177 E C -0.683 175.916 176.600 -0.001 0.000 0.972 177 E CA -0.548 55.764 56.400 -0.147 0.000 0.804 177 E CB 1.511 30.853 29.700 -0.596 0.000 1.110 177 E HN 0.521 nan 8.360 nan 0.000 0.394 178 E N 0.766 121.046 120.200 0.133 0.000 2.343 178 E HA 0.722 5.064 4.350 -0.014 0.000 0.270 178 E C -1.073 175.623 176.600 0.160 0.000 0.895 178 E CA -1.549 54.916 56.400 0.109 0.000 0.767 178 E CB 1.432 31.200 29.700 0.113 0.000 1.248 178 E HN 0.445 nan 8.360 nan 0.000 0.440 179 A N 2.033 124.906 122.820 0.089 0.000 2.546 179 A HA 0.042 4.354 4.320 -0.014 0.000 0.243 179 A C -0.092 177.669 177.584 0.295 0.000 1.063 179 A CA 0.270 52.374 52.037 0.112 0.000 0.757 179 A CB -0.139 18.791 19.000 -0.116 0.000 0.991 179 A HN 0.701 nan 8.150 nan 0.000 0.503 180 D N 1.945 122.581 120.400 0.393 0.000 2.483 180 D HA 0.180 4.811 4.640 -0.014 0.000 0.220 180 D C -0.378 176.243 176.300 0.535 0.000 1.173 180 D CA -0.176 54.055 54.000 0.385 0.000 0.964 180 D CB 0.332 41.287 40.800 0.258 0.000 1.046 180 D HN 0.379 nan 8.370 nan 0.000 0.517 181 D N 3.925 124.603 120.400 0.465 0.000 2.801 181 D HA -0.022 4.610 4.640 -0.014 0.000 0.232 181 D C 1.078 177.510 176.300 0.219 0.000 1.128 181 D CA -0.560 53.630 54.000 0.317 0.000 1.003 181 D CB -0.188 40.798 40.800 0.309 0.000 1.110 181 D HN 0.564 nan 8.370 nan 0.000 0.477 182 W N 1.766 123.093 121.300 0.045 0.000 2.525 182 W HA -0.027 4.624 4.660 -0.014 0.000 0.259 182 W C 0.122 176.693 176.519 0.086 0.000 1.253 182 W CA 0.093 57.490 57.345 0.087 0.000 1.262 182 W CB -0.729 28.782 29.460 0.085 0.000 1.122 182 W HN 0.186 nan 8.180 nan 0.000 0.607 183 L N 1.663 122.547 121.223 -0.565 0.000 2.607 183 L HA 0.118 4.450 4.340 -0.014 0.000 0.228 183 L C 2.866 179.567 176.870 -0.282 0.000 1.123 183 L CA 0.120 54.582 54.840 -0.629 0.000 0.890 183 L CB -0.414 41.134 42.059 -0.852 0.000 1.103 183 L HN -0.119 nan 8.230 nan 0.000 0.468 184 R N 0.024 120.416 120.500 -0.181 0.000 2.091 184 R HA -0.211 4.121 4.340 -0.014 0.000 0.238 184 R C 1.187 177.306 176.300 -0.302 0.000 1.136 184 R CA 1.794 57.750 56.100 -0.241 0.000 0.959 184 R CB -0.814 29.322 30.300 -0.274 0.000 0.856 184 R HN 0.278 nan 8.270 nan 0.000 0.437 185 Y N 1.101 121.413 120.300 0.020 0.000 2.466 185 Y HA 0.309 4.851 4.550 -0.014 0.000 0.272 185 Y C 1.149 177.026 175.900 -0.038 0.000 1.169 185 Y CA 0.592 58.715 58.100 0.038 0.000 1.285 185 Y CB 0.492 39.104 38.460 0.253 0.000 1.078 185 Y HN 0.524 nan 8.280 nan 0.000 0.523 186 G N 1.274 110.103 108.800 0.048 0.000 2.699 186 G HA2 -0.231 3.720 3.960 -0.014 0.000 0.686 186 G HA3 -0.231 3.720 3.960 -0.014 0.000 0.686 186 G C -1.179 173.781 174.900 0.101 0.000 1.301 186 G CA -0.735 44.358 45.100 -0.013 0.000 0.816 186 G HN 0.274 nan 8.290 nan 0.000 0.595 187 N N 1.175 119.879 118.700 0.007 0.000 2.569 187 N HA 0.571 5.303 4.740 -0.014 0.000 0.254 187 N C -0.691 174.812 175.510 -0.011 0.000 1.004 187 N CA -2.008 51.069 53.050 0.045 0.000 0.904 187 N CB 2.033 40.480 38.487 -0.066 0.000 1.165 187 N HN 0.230 nan 8.380 nan 0.000 0.513 188 P HA 0.007 nan 4.420 nan 0.000 0.226 188 P C 0.650 177.658 177.300 -0.486 0.000 1.153 188 P CA 0.767 63.553 63.100 -0.524 0.000 0.777 188 P CB 0.114 31.165 31.700 -1.082 0.000 0.794 189 W N 1.879 123.193 121.300 0.025 0.000 2.523 189 W HA 0.034 4.686 4.660 -0.014 0.000 0.278 189 W C 1.363 177.926 176.519 0.073 0.000 1.236 189 W CA -0.305 57.050 57.345 0.018 0.000 1.306 189 W CB -0.296 29.176 29.460 0.020 0.000 1.101 189 W HN -0.005 nan 8.180 nan 0.000 0.577 190 E N 1.813 122.193 120.200 0.300 0.000 2.349 190 E HA 0.288 4.630 4.350 -0.014 0.000 0.262 190 E C -0.624 176.153 176.600 0.296 0.000 1.088 190 E CA -0.654 55.934 56.400 0.313 0.000 0.899 190 E CB 1.269 31.164 29.700 0.326 0.000 1.044 190 E HN -0.306 nan 8.360 nan 0.000 0.420 191 K N 1.500 122.092 120.400 0.320 0.000 2.535 191 K HA 0.416 4.728 4.320 -0.014 0.000 0.253 191 K C -1.186 175.447 176.600 0.054 0.000 0.953 191 K CA -0.464 55.940 56.287 0.195 0.000 0.863 191 K CB 1.579 34.196 32.500 0.195 0.000 1.111 191 K HN 0.663 nan 8.250 nan 0.000 0.431 192 A N 4.178 126.937 122.820 -0.102 0.000 2.511 192 A HA 0.302 4.613 4.320 -0.014 0.000 0.242 192 A C -0.238 177.155 177.584 -0.317 0.000 1.069 192 A CA -0.048 51.660 52.037 -0.548 0.000 0.763 192 A CB 0.192 18.866 19.000 -0.543 0.000 1.001 192 A HN 0.679 nan 8.150 nan 0.000 0.498 193 R N 3.215 123.518 120.500 -0.329 0.000 2.886 193 R HA 0.199 4.531 4.340 -0.014 0.000 0.306 193 R C -2.332 173.851 176.300 -0.195 0.000 1.300 193 R CA -1.720 54.276 56.100 -0.173 0.000 1.441 193 R CB 0.546 30.901 30.300 0.092 0.000 1.328 193 R HN 0.570 nan 8.270 nan 0.000 0.629 194 P HA -0.189 nan 4.420 nan 0.000 0.221 194 P C 0.944 178.149 177.300 -0.159 0.000 1.145 194 P CA 1.114 64.128 63.100 -0.143 0.000 0.795 194 P CB 0.373 31.997 31.700 -0.127 0.000 0.775 195 E N -0.101 119.897 120.200 -0.337 0.000 2.268 195 E HA -0.147 4.194 4.350 -0.014 0.000 0.195 195 E C 0.634 176.984 176.600 -0.417 0.000 0.995 195 E CA 0.967 57.092 56.400 -0.458 0.000 0.836 195 E CB -0.893 28.384 29.700 -0.704 0.000 0.763 195 E HN 0.279 nan 8.360 nan 0.000 0.491 196 F N 1.983 121.949 119.950 0.026 0.000 2.730 196 F HA 0.279 4.797 4.527 -0.014 0.000 0.295 196 F C 0.394 176.292 175.800 0.163 0.000 1.143 196 F CA -0.573 57.475 58.000 0.080 0.000 1.367 196 F CB -0.050 38.993 39.000 0.073 0.000 0.970 196 F HN -0.306 nan 8.300 nan 0.000 0.514 197 T N 2.951 117.639 114.554 0.222 0.000 2.928 197 T HA 0.285 4.626 4.350 -0.014 0.000 0.305 197 T C -0.187 174.609 174.700 0.161 0.000 1.035 197 T CA 0.315 62.545 62.100 0.216 0.000 1.145 197 T CB 0.650 69.593 68.868 0.125 0.000 0.963 197 T HN -0.149 nan 8.240 nan 0.000 0.545 198 L N 6.008 127.294 121.223 0.105 0.000 2.381 198 L HA 0.553 4.885 4.340 -0.014 0.000 0.268 198 L C -2.199 174.615 176.870 -0.094 0.000 0.997 198 L CA -2.670 52.155 54.840 -0.025 0.000 0.818 198 L CB 1.866 43.833 42.059 -0.152 0.000 1.310 198 L HN 0.380 nan 8.230 nan 0.000 0.416 199 P HA 0.332 nan 4.420 nan 0.000 0.284 199 P C -1.125 176.016 177.300 -0.264 0.000 1.253 199 P CA -0.319 62.679 63.100 -0.170 0.000 0.800 199 P CB 1.604 33.197 31.700 -0.178 0.000 0.961 200 V N 3.943 123.686 119.914 -0.285 0.000 2.604 200 V HA 0.323 4.434 4.120 -0.014 0.000 0.305 200 V C 0.131 175.979 176.094 -0.410 0.000 1.043 200 V CA -0.614 61.500 62.300 -0.310 0.000 0.888 200 V CB 1.495 33.194 31.823 -0.207 0.000 0.995 200 V HN 0.601 nan 8.190 nan 0.000 0.429 201 H N 3.875 122.774 119.070 -0.285 0.000 2.472 201 H HA 0.617 5.164 4.556 -0.014 0.000 0.338 201 H C -1.259 173.778 175.328 -0.484 0.000 1.133 201 H CA -0.128 55.673 56.048 -0.412 0.000 1.216 201 H CB 1.853 31.124 29.762 -0.818 0.000 1.497 201 H HN 0.481 nan 8.280 nan 0.000 0.500 202 F N 0.489 120.506 119.950 0.112 0.000 2.603 202 F HA 0.212 4.731 4.527 -0.014 0.000 0.317 202 F C -0.168 175.769 175.800 0.229 0.000 1.066 202 F CA -0.535 57.547 58.000 0.136 0.000 0.941 202 F CB 1.110 40.103 39.000 -0.012 0.000 1.291 202 F HN 0.557 nan 8.300 nan 0.000 0.472 203 Y N 0.211 120.827 120.300 0.528 0.000 2.896 203 Y HA -0.043 4.498 4.550 -0.014 0.000 0.466 203 Y C 1.401 177.566 175.900 0.443 0.000 1.197 203 Y CA 0.693 59.017 58.100 0.374 0.000 2.513 203 Y CB -1.939 36.667 38.460 0.243 0.000 1.232 203 Y HN 1.259 nan 8.280 nan 0.000 0.632 204 G N 0.744 109.826 108.800 0.469 0.000 2.598 204 G HA2 0.061 4.012 3.960 -0.014 0.000 0.244 204 G HA3 0.061 4.012 3.960 -0.014 0.000 0.244 204 G C -0.543 174.579 174.900 0.371 0.000 1.302 204 G CA 0.981 46.276 45.100 0.325 0.000 0.903 204 G HN 1.358 nan 8.290 nan 0.000 0.575 205 R N -2.569 118.145 120.500 0.357 0.000 2.734 205 R HA 0.691 5.022 4.340 -0.014 0.000 0.271 205 R C -1.340 175.106 176.300 0.243 0.000 1.021 205 R CA -1.022 55.230 56.100 0.253 0.000 0.893 205 R CB 1.370 31.764 30.300 0.156 0.000 1.244 205 R HN 0.842 nan 8.270 nan 0.000 0.464 206 V N 0.982 120.957 119.914 0.101 0.000 2.407 206 V HA 0.328 4.439 4.120 -0.014 0.000 0.278 206 V C -0.144 175.910 176.094 -0.067 0.000 1.037 206 V CA -0.423 61.865 62.300 -0.020 0.000 0.900 206 V CB 1.204 32.948 31.823 -0.132 0.000 0.983 206 V HN 0.736 nan 8.190 nan 0.000 0.459 207 E N 3.251 123.384 120.200 -0.112 0.000 2.171 207 E HA 0.396 4.737 4.350 -0.014 0.000 0.271 207 E C -0.995 175.484 176.600 -0.203 0.000 0.916 207 E CA -0.690 55.664 56.400 -0.076 0.000 0.774 207 E CB 0.887 30.582 29.700 -0.008 0.000 1.128 207 E HN 0.725 nan 8.360 nan 0.000 0.403 208 H N 2.501 121.586 119.070 0.025 0.000 2.488 208 H HA 0.245 4.792 4.556 -0.014 0.000 0.322 208 H C 0.129 175.466 175.328 0.015 0.000 1.078 208 H CA -0.295 55.762 56.048 0.016 0.000 1.260 208 H CB 1.559 31.326 29.762 0.008 0.000 1.425 208 H HN 0.591 nan 8.280 nan 0.000 0.471 209 T N -0.992 113.624 114.554 0.104 0.000 2.841 209 T HA 0.198 4.539 4.350 -0.014 0.000 0.276 209 T C 1.326 176.064 174.700 0.063 0.000 1.003 209 T CA -0.666 61.474 62.100 0.066 0.000 0.995 209 T CB 1.037 69.927 68.868 0.037 0.000 1.260 209 T HN 0.385 nan 8.240 nan 0.000 0.581 210 S N 1.037 116.762 115.700 0.042 0.000 2.382 210 S HA -0.131 4.330 4.470 -0.014 0.000 0.228 210 S C 1.740 176.361 174.600 0.034 0.000 1.027 210 S CA 1.139 59.360 58.200 0.034 0.000 0.991 210 S CB -0.452 62.763 63.200 0.025 0.000 0.823 210 S HN 0.869 nan 8.310 nan 0.000 0.469 211 Q N 1.302 121.122 119.800 0.033 0.000 2.217 211 Q HA 0.463 4.794 4.340 -0.014 0.000 0.226 211 Q C 0.746 176.765 176.000 0.033 0.000 0.875 211 Q CA 0.357 56.178 55.803 0.029 0.000 0.974 211 Q CB -0.315 28.436 28.738 0.022 0.000 1.079 211 Q HN 0.436 nan 8.270 nan 0.000 0.463 212 G N 0.687 109.516 108.800 0.049 0.000 2.526 212 G HA2 0.046 3.997 3.960 -0.014 0.000 0.250 212 G HA3 0.046 3.997 3.960 -0.014 0.000 0.250 212 G C -0.942 173.981 174.900 0.039 0.000 1.289 212 G CA -0.512 44.624 45.100 0.060 0.000 0.947 212 G HN 0.677 nan 8.290 nan 0.000 0.517 213 A N -0.085 122.738 122.820 0.004 0.000 2.371 213 A HA 0.694 5.006 4.320 -0.014 0.000 0.257 213 A C 0.413 177.939 177.584 -0.097 0.000 1.089 213 A CA 0.446 52.394 52.037 -0.147 0.000 0.794 213 A CB 0.556 19.436 19.000 -0.200 0.000 1.029 213 A HN 0.722 nan 8.150 nan 0.000 0.488 214 K N 1.091 121.424 120.400 -0.112 0.000 2.471 214 K HA 0.192 4.504 4.320 -0.014 0.000 0.252 214 K C -1.813 174.817 176.600 0.052 0.000 0.938 214 K CA -0.380 55.894 56.287 -0.022 0.000 0.796 214 K CB 1.965 34.456 32.500 -0.016 0.000 1.161 214 K HN 0.752 nan 8.250 nan 0.000 0.425 215 W N 5.655 126.870 121.300 -0.142 0.000 2.342 215 W HA 0.325 4.976 4.660 -0.014 0.000 0.310 215 W C -0.644 175.811 176.519 -0.108 0.000 1.128 215 W CA -0.744 56.524 57.345 -0.128 0.000 1.322 215 W CB 0.100 29.471 29.460 -0.149 0.000 1.251 215 W HN 0.284 nan 8.180 nan 0.000 0.439 216 V N 2.731 122.700 119.914 0.091 0.000 3.126 216 V HA 0.599 4.710 4.120 -0.014 0.000 0.314 216 V C -0.070 176.004 176.094 -0.034 0.000 1.138 216 V CA -0.966 61.312 62.300 -0.037 0.000 1.034 216 V CB 1.969 33.799 31.823 0.012 0.000 1.075 216 V HN 0.456 nan 8.190 nan 0.000 0.442 217 D N 0.227 120.608 120.400 -0.031 0.000 2.837 217 D HA -0.143 4.489 4.640 -0.014 0.000 0.230 217 D C 0.581 176.889 176.300 0.014 0.000 1.152 217 D CA 1.531 55.536 54.000 0.008 0.000 0.736 217 D CB -1.594 39.233 40.800 0.045 0.000 1.084 217 D HN 1.287 nan 8.370 nan 0.000 0.429 218 T N -2.601 111.911 114.554 -0.071 0.000 2.882 218 T HA 0.406 4.748 4.350 -0.014 0.000 0.287 218 T C 0.496 175.255 174.700 0.098 0.000 1.014 218 T CA -0.674 61.393 62.100 -0.054 0.000 1.049 218 T CB 1.863 70.525 68.868 -0.343 0.000 1.001 218 T HN 0.033 nan 8.240 nan 0.000 0.525 219 Q N 0.911 120.844 119.800 0.222 0.000 2.267 219 Q HA 0.488 4.820 4.340 -0.014 0.000 0.255 219 Q C -0.830 175.313 176.000 0.238 0.000 0.923 219 Q CA -0.750 55.218 55.803 0.275 0.000 0.925 219 Q CB 1.647 30.638 28.738 0.422 0.000 1.195 219 Q HN 0.508 nan 8.270 nan 0.000 0.417 220 V N 3.584 123.598 119.914 0.168 0.000 2.394 220 V HA 0.331 4.442 4.120 -0.014 0.000 0.282 220 V C -0.197 175.969 176.094 0.121 0.000 1.031 220 V CA -0.574 61.734 62.300 0.013 0.000 0.881 220 V CB 1.626 33.403 31.823 -0.076 0.000 0.982 220 V HN 0.485 nan 8.190 nan 0.000 0.451 221 V N 6.223 126.212 119.914 0.126 0.000 2.495 221 V HA 0.468 4.580 4.120 -0.014 0.000 0.298 221 V C -0.072 176.098 176.094 0.127 0.000 1.031 221 V CA -0.658 61.728 62.300 0.143 0.000 0.871 221 V CB 1.886 33.879 31.823 0.282 0.000 0.988 221 V HN 0.629 nan 8.190 nan 0.000 0.432 222 L N 3.691 124.978 121.223 0.107 0.000 2.371 222 L HA 0.679 5.010 4.340 -0.014 0.000 0.272 222 L C 0.512 177.552 176.870 0.283 0.000 1.124 222 L CA -0.249 54.666 54.840 0.125 0.000 0.816 222 L CB 1.215 43.328 42.059 0.090 0.000 1.129 222 L HN 0.760 nan 8.230 nan 0.000 0.448 223 A N 5.355 128.292 122.820 0.195 0.000 2.267 223 A HA 0.560 4.872 4.320 -0.014 0.000 0.315 223 A C -0.439 177.410 177.584 0.440 0.000 1.297 223 A CA -0.478 51.709 52.037 0.250 0.000 0.865 223 A CB 0.844 19.541 19.000 -0.506 0.000 1.165 223 A HN 0.790 nan 8.150 nan 0.000 0.513 224 M N 5.995 125.918 119.600 0.537 0.000 2.129 224 M HA 0.452 4.924 4.480 -0.014 0.000 0.348 224 M C -2.587 173.988 176.300 0.458 0.000 1.116 224 M CA -2.128 53.430 55.300 0.431 0.000 1.022 224 M CB 1.904 34.675 32.600 0.285 0.000 1.599 224 M HN 0.333 nan 8.290 nan 0.000 0.449 225 P HA 0.249 nan 4.420 nan 0.000 0.284 225 P C -1.928 175.314 177.300 -0.097 0.000 1.253 225 P CA 0.005 63.021 63.100 -0.140 0.000 0.800 225 P CB 0.495 31.937 31.700 -0.430 0.000 0.961 226 Y N 0.555 120.797 120.300 -0.096 0.000 2.350 226 Y HA 0.333 4.874 4.550 -0.014 0.000 0.338 226 Y C 0.177 176.070 175.900 -0.011 0.000 0.961 226 Y CA -0.311 57.789 58.100 0.001 0.000 1.100 226 Y CB 1.327 39.818 38.460 0.052 0.000 1.179 226 Y HN 0.216 nan 8.280 nan 0.000 0.454 227 D N 1.966 122.483 120.400 0.195 0.000 2.193 227 D HA 0.395 5.027 4.640 -0.014 0.000 0.244 227 D C -0.603 175.939 176.300 0.402 0.000 1.064 227 D CA -0.225 53.934 54.000 0.264 0.000 0.845 227 D CB 1.693 42.675 40.800 0.303 0.000 1.148 227 D HN 0.372 nan 8.370 nan 0.000 0.464 228 T N 3.288 117.973 114.554 0.217 0.000 2.807 228 T HA 0.475 4.817 4.350 -0.014 0.000 0.279 228 T C -2.520 171.999 174.700 -0.300 0.000 0.993 228 T CA -1.523 60.594 62.100 0.029 0.000 0.970 228 T CB 1.996 70.880 68.868 0.027 0.000 0.950 228 T HN 0.163 nan 8.240 nan 0.000 0.441 229 P HA 0.299 nan 4.420 nan 0.000 0.275 229 P C -0.983 175.970 177.300 -0.579 0.000 1.227 229 P CA -0.391 61.984 63.100 -1.207 0.000 0.781 229 P CB 0.769 31.570 31.700 -1.498 0.000 0.906 230 V N 5.305 124.946 119.914 -0.455 0.000 2.305 230 V HA 0.265 4.376 4.120 -0.014 0.000 0.275 230 V C -2.067 173.888 176.094 -0.232 0.000 1.020 230 V CA -1.965 60.166 62.300 -0.281 0.000 0.811 230 V CB 1.251 32.956 31.823 -0.197 0.000 1.031 230 V HN 0.536 nan 8.190 nan 0.000 0.439 231 P HA 0.275 nan 4.420 nan 0.000 0.280 231 P C 0.385 177.631 177.300 -0.090 0.000 1.244 231 P CA 0.277 63.284 63.100 -0.154 0.000 0.784 231 P CB 1.513 33.121 31.700 -0.154 0.000 0.913 232 G N 2.040 110.805 108.800 -0.058 0.000 2.599 232 G HA2 0.134 4.086 3.960 -0.014 0.000 0.264 232 G HA3 0.134 4.086 3.960 -0.014 0.000 0.264 232 G C -1.155 173.751 174.900 0.011 0.000 1.200 232 G CA -0.549 44.546 45.100 -0.009 0.000 0.896 232 G HN 0.511 nan 8.290 nan 0.000 0.536 233 Y N 0.621 120.883 120.300 -0.064 0.000 2.624 233 Y HA 0.264 4.806 4.550 -0.015 0.000 0.354 233 Y C 1.211 177.073 175.900 -0.062 0.000 1.051 233 Y CA -0.240 57.817 58.100 -0.070 0.000 1.377 233 Y CB 0.085 38.501 38.460 -0.073 0.000 1.168 233 Y HN 0.704 nan 8.280 nan 0.000 0.525 234 R N 2.901 123.091 120.500 -0.516 0.000 3.502 234 R HA -0.319 4.013 4.340 -0.014 0.000 0.266 234 R C 0.063 176.227 176.300 -0.227 0.000 1.077 234 R CA 1.452 57.283 56.100 -0.449 0.000 0.718 234 R CB -1.878 28.003 30.300 -0.698 0.000 1.120 234 R HN 0.948 nan 8.270 nan 0.000 0.457 235 N N -1.434 117.183 118.700 -0.138 0.000 2.171 235 N HA 0.060 4.791 4.740 -0.014 0.000 0.212 235 N C -0.149 175.314 175.510 -0.079 0.000 1.184 235 N CA -0.332 52.669 53.050 -0.082 0.000 0.888 235 N CB 0.532 38.997 38.487 -0.037 0.000 1.038 235 N HN 0.099 nan 8.380 nan 0.000 0.517 236 N N -0.256 118.393 118.700 -0.086 0.000 2.778 236 N HA -0.135 4.596 4.740 -0.014 0.000 0.249 236 N C -0.912 174.555 175.510 -0.072 0.000 1.069 236 N CA 0.611 53.617 53.050 -0.073 0.000 0.831 236 N CB -1.303 37.142 38.487 -0.071 0.000 1.142 236 N HN 0.186 nan 8.380 nan 0.000 0.573 237 V N 1.302 121.177 119.914 -0.065 0.000 2.498 237 V HA 0.381 4.492 4.120 -0.014 0.000 0.279 237 V C 0.625 176.688 176.094 -0.051 0.000 1.048 237 V CA -0.397 61.872 62.300 -0.052 0.000 0.967 237 V CB 2.000 33.819 31.823 -0.008 0.000 0.988 237 V HN -0.025 nan 8.190 nan 0.000 0.473 238 V N 5.551 125.440 119.914 -0.041 0.000 2.419 238 V HA 0.436 4.547 4.120 -0.014 0.000 0.287 238 V C -0.066 176.020 176.094 -0.013 0.000 1.017 238 V CA -0.861 61.389 62.300 -0.085 0.000 0.844 238 V CB 1.465 33.218 31.823 -0.118 0.000 1.011 238 V HN 0.837 nan 8.190 nan 0.000 0.429 239 N N 1.978 120.639 118.700 -0.065 0.000 2.448 239 N HA 0.561 5.292 4.740 -0.014 0.000 0.274 239 N C -0.054 175.429 175.510 -0.045 0.000 1.239 239 N CA -0.293 52.739 53.050 -0.030 0.000 0.982 239 N CB 1.243 39.672 38.487 -0.098 0.000 1.199 239 N HN 0.580 nan 8.380 nan 0.000 0.576 240 T N 0.773 115.313 114.554 -0.023 0.000 2.841 240 T HA 0.391 4.733 4.350 -0.014 0.000 0.283 240 T C -0.204 174.458 174.700 -0.063 0.000 1.000 240 T CA -0.509 61.655 62.100 0.106 0.000 0.977 240 T CB 1.039 70.097 68.868 0.315 0.000 0.979 240 T HN 0.301 nan 8.240 nan 0.000 0.446 241 M N 3.876 123.404 119.600 -0.120 0.000 2.101 241 M HA 0.489 4.960 4.480 -0.014 0.000 0.340 241 M C -0.422 175.732 176.300 -0.243 0.000 1.057 241 M CA -0.737 54.403 55.300 -0.267 0.000 0.984 241 M CB 0.636 33.017 32.600 -0.365 0.000 1.560 241 M HN 0.484 nan 8.290 nan 0.000 0.435 242 R N 5.880 126.124 120.500 -0.426 0.000 2.255 242 R HA 0.627 4.959 4.340 -0.014 0.000 0.326 242 R C -1.940 174.067 176.300 -0.487 0.000 0.986 242 R CA -0.416 55.382 56.100 -0.503 0.000 0.847 242 R CB 0.856 30.672 30.300 -0.806 0.000 1.111 242 R HN 0.820 nan 8.270 nan 0.000 0.452 243 L N 5.194 126.235 121.223 -0.303 0.000 2.333 243 L HA 0.492 4.823 4.340 -0.014 0.000 0.280 243 L C -0.877 175.946 176.870 -0.078 0.000 1.004 243 L CA -0.909 53.853 54.840 -0.130 0.000 0.820 243 L CB 1.543 43.622 42.059 0.033 0.000 1.247 243 L HN 0.604 nan 8.230 nan 0.000 0.416 244 W N 1.894 123.322 121.300 0.214 0.000 2.315 244 W HA 0.473 5.125 4.660 -0.014 0.000 0.316 244 W C 0.570 177.325 176.519 0.393 0.000 1.211 244 W CA -0.197 57.293 57.345 0.242 0.000 1.201 244 W CB 1.459 30.900 29.460 -0.031 0.000 1.184 244 W HN 0.339 nan 8.180 nan 0.000 0.544 245 S N 1.875 117.994 115.700 0.698 0.000 2.482 245 S HA 0.762 5.223 4.470 -0.014 0.000 0.303 245 S C -0.433 174.511 174.600 0.573 0.000 1.091 245 S CA -0.722 57.789 58.200 0.519 0.000 1.057 245 S CB 0.612 64.061 63.200 0.414 0.000 1.031 245 S HN 0.525 nan 8.310 nan 0.000 0.485 246 A N 4.974 127.957 122.820 0.271 0.000 2.366 246 A HA 0.666 4.977 4.320 -0.014 0.000 0.272 246 A C -0.315 177.316 177.584 0.079 0.000 1.135 246 A CA -0.307 51.767 52.037 0.062 0.000 0.804 246 A CB 0.296 19.047 19.000 -0.415 0.000 1.064 246 A HN 0.664 nan 8.150 nan 0.000 0.499 247 K N 1.262 121.719 120.400 0.096 0.000 2.427 247 K HA 0.608 4.920 4.320 -0.014 0.000 0.252 247 K C -0.403 176.161 176.600 -0.061 0.000 0.931 247 K CA -0.432 55.873 56.287 0.030 0.000 0.793 247 K CB 2.218 34.771 32.500 0.088 0.000 1.211 247 K HN 0.795 nan 8.250 nan 0.000 0.426 248 A N 3.727 126.445 122.820 -0.170 0.000 2.407 248 A HA 0.473 4.784 4.320 -0.014 0.000 0.248 248 A C -2.182 175.344 177.584 -0.098 0.000 1.082 248 A CA -0.965 50.873 52.037 -0.331 0.000 0.785 248 A CB -0.384 18.275 19.000 -0.567 0.000 1.020 248 A HN 0.314 nan 8.150 nan 0.000 0.489 249 P HA 0.124 nan 4.420 nan 0.000 0.272 249 P C 0.303 177.681 177.300 0.130 0.000 1.230 249 P CA -0.409 62.743 63.100 0.087 0.000 0.788 249 P CB 0.495 32.279 31.700 0.139 0.000 0.949 250 N N 1.186 119.947 118.700 0.101 0.000 2.381 250 N HA -0.120 4.611 4.740 -0.014 0.000 0.182 250 N C 0.676 176.261 175.510 0.125 0.000 1.025 250 N CA 1.121 54.232 53.050 0.102 0.000 0.888 250 N CB -0.478 38.053 38.487 0.074 0.000 0.965 250 N HN 0.562 nan 8.380 nan 0.000 0.438 251 D N -0.753 119.724 120.400 0.127 0.000 2.325 251 D HA -0.064 4.567 4.640 -0.014 0.000 0.225 251 D C 0.022 176.400 176.300 0.129 0.000 1.096 251 D CA -0.569 53.497 54.000 0.111 0.000 0.844 251 D CB -1.025 39.822 40.800 0.078 0.000 0.925 251 D HN 0.024 nan 8.370 nan 0.000 0.513 252 F N 2.335 122.300 119.950 0.025 0.000 2.590 252 F HA 0.079 4.597 4.527 -0.014 0.000 0.389 252 F C 0.790 176.595 175.800 0.009 0.000 1.049 252 F CA 0.084 58.095 58.000 0.018 0.000 1.199 252 F CB 0.089 39.100 39.000 0.018 0.000 1.058 252 F HN -0.119 nan 8.300 nan 0.000 0.556 253 N N 3.100 121.448 118.700 -0.586 0.000 2.732 253 N HA -0.279 4.453 4.740 -0.014 0.000 0.250 253 N C -0.635 174.784 175.510 -0.151 0.000 1.097 253 N CA 1.361 54.163 53.050 -0.412 0.000 0.812 253 N CB -1.349 36.871 38.487 -0.445 0.000 1.148 253 N HN 0.541 nan 8.380 nan 0.000 0.572 262 Y N 1.062 121.363 120.300 0.002 0.000 2.097 262 Y HA -0.100 4.441 4.550 -0.014 0.000 0.282 262 Y C 2.722 178.631 175.900 0.015 0.000 1.152 262 Y CA 2.435 60.540 58.100 0.007 0.000 1.136 262 Y CB -0.098 38.367 38.460 0.008 0.000 0.975 262 Y HN 0.218 nan 8.280 nan 0.000 0.498 263 I N 0.399 120.909 120.570 -0.101 0.000 2.163 263 I HA -0.298 3.864 4.170 -0.014 0.000 0.243 263 I C 2.379 178.397 176.117 -0.166 0.000 1.085 263 I CA 1.796 62.986 61.300 -0.183 0.000 1.347 263 I CB -1.418 36.581 38.000 -0.002 0.000 1.044 263 I HN 0.339 nan 8.210 nan 0.000 0.408 264 Q N 1.133 120.883 119.800 -0.084 0.000 2.084 264 Q HA -0.113 4.219 4.340 -0.014 0.000 0.202 264 Q C 2.242 178.201 176.000 -0.070 0.000 0.978 264 Q CA 2.230 57.999 55.803 -0.057 0.000 0.844 264 Q CB -0.365 28.356 28.738 -0.028 0.000 0.898 264 Q HN 0.475 nan 8.270 nan 0.000 0.426 265 A N -0.800 121.959 122.820 -0.102 0.000 1.933 265 A HA -0.139 4.173 4.320 -0.014 0.000 0.218 265 A C 2.247 179.792 177.584 -0.065 0.000 1.175 265 A CA 1.688 53.672 52.037 -0.089 0.000 0.628 265 A CB -0.752 18.194 19.000 -0.090 0.000 0.814 265 A HN 0.268 nan 8.150 nan 0.000 0.444 266 V N 0.108 119.909 119.914 -0.188 0.000 2.358 266 V HA -0.215 3.896 4.120 -0.014 0.000 0.246 266 V C 2.507 178.574 176.094 -0.045 0.000 1.047 266 V CA 1.764 63.978 62.300 -0.143 0.000 1.035 266 V CB -0.726 30.915 31.823 -0.303 0.000 0.658 266 V HN 0.568 nan 8.190 nan 0.000 0.452 267 L N -0.164 121.026 121.223 -0.055 0.000 2.131 267 L HA -0.150 4.181 4.340 -0.014 0.000 0.210 267 L C 1.951 178.840 176.870 0.032 0.000 1.092 267 L CA 1.243 56.075 54.840 -0.012 0.000 0.759 267 L CB -0.647 41.401 42.059 -0.019 0.000 0.903 267 L HN 0.338 nan 8.230 nan 0.000 0.435 268 D N -0.102 120.336 120.400 0.064 0.000 2.363 268 D HA -0.059 4.572 4.640 -0.014 0.000 0.226 268 D C 2.096 178.563 176.300 0.278 0.000 1.020 268 D CA 0.386 54.468 54.000 0.137 0.000 0.892 268 D CB 0.025 40.889 40.800 0.107 0.000 0.900 268 D HN 0.238 nan 8.370 nan 0.000 0.531 269 R N 0.506 121.130 120.500 0.208 0.000 2.152 269 R HA -0.067 4.264 4.340 -0.014 0.000 0.232 269 R C 1.597 177.848 176.300 -0.081 0.000 1.117 269 R CA 0.670 56.794 56.100 0.041 0.000 0.981 269 R CB -0.086 30.220 30.300 0.009 0.000 0.870 269 R HN 0.145 nan 8.270 nan 0.000 0.451 270 N N 0.787 119.487 118.700 -0.001 0.000 2.192 270 N HA -0.172 4.559 4.740 -0.014 0.000 0.188 270 N C 1.555 177.058 175.510 -0.012 0.000 1.013 270 N CA 1.087 54.133 53.050 -0.006 0.000 0.863 270 N CB -0.214 38.285 38.487 0.020 0.000 0.990 270 N HN 0.086 nan 8.380 nan 0.000 0.430 271 L N 1.114 122.355 121.223 0.030 0.000 2.012 271 L HA -0.125 4.206 4.340 -0.014 0.000 0.210 271 L C 2.396 179.249 176.870 -0.028 0.000 1.073 271 L CA 1.550 56.417 54.840 0.046 0.000 0.748 271 L CB -1.233 40.914 42.059 0.147 0.000 0.891 271 L HN 0.145 nan 8.230 nan 0.000 0.431 272 A N -0.891 121.838 122.820 -0.152 0.000 1.898 272 A HA -0.179 4.132 4.320 -0.014 0.000 0.216 272 A C 2.138 179.599 177.584 -0.205 0.000 1.181 272 A CA 1.516 53.399 52.037 -0.256 0.000 0.620 272 A CB -0.468 18.163 19.000 -0.615 0.000 0.819 272 A HN 0.539 nan 8.150 nan 0.000 0.442 273 E N 0.011 120.110 120.200 -0.170 0.000 2.427 273 E HA -0.074 4.267 4.350 -0.014 0.000 0.196 273 E C 1.021 177.582 176.600 -0.065 0.000 1.028 273 E CA 0.229 56.562 56.400 -0.111 0.000 0.864 273 E CB -0.164 29.495 29.700 -0.069 0.000 0.813 273 E HN 0.460 nan 8.360 nan 0.000 0.514 274 N N 1.142 119.812 118.700 -0.050 0.000 2.443 274 N HA -0.108 4.623 4.740 -0.014 0.000 0.184 274 N C 1.621 177.127 175.510 -0.007 0.000 1.037 274 N CA 0.650 53.700 53.050 -0.001 0.000 0.896 274 N CB -0.073 38.419 38.487 0.008 0.000 0.959 274 N HN 0.265 nan 8.380 nan 0.000 0.442 275 I N 0.381 120.884 120.570 -0.111 0.000 2.151 275 I HA -0.261 3.901 4.170 -0.014 0.000 0.243 275 I C 1.514 177.594 176.117 -0.061 0.000 1.080 275 I CA 1.326 62.527 61.300 -0.166 0.000 1.339 275 I CB -0.219 37.505 38.000 -0.460 0.000 1.039 275 I HN 0.139 nan 8.210 nan 0.000 0.409 276 S N -0.393 115.260 115.700 -0.078 0.000 2.614 276 S HA 0.159 4.620 4.470 -0.014 0.000 0.230 276 S C 1.499 176.230 174.600 0.218 0.000 0.952 276 S CA -0.465 57.780 58.200 0.075 0.000 0.949 276 S CB 0.193 63.428 63.200 0.059 0.000 0.786 276 S HN 0.222 nan 8.310 nan 0.000 0.478 277 R N 1.259 121.893 120.500 0.224 0.000 2.062 277 R HA 0.280 4.611 4.340 -0.014 0.000 0.226 277 R C 0.352 176.911 176.300 0.430 0.000 1.125 277 R CA 1.079 57.355 56.100 0.293 0.000 0.966 277 R CB -0.275 30.159 30.300 0.224 0.000 0.861 277 R HN 0.381 nan 8.270 nan 0.000 0.433 278 V N 0.660 120.786 119.914 0.353 0.000 2.808 278 V HA 0.364 4.476 4.120 -0.014 0.000 0.308 278 V C -1.521 174.560 176.094 -0.021 0.000 1.099 278 V CA -1.380 61.048 62.300 0.213 0.000 0.920 278 V CB 1.762 33.620 31.823 0.058 0.000 1.014 278 V HN 0.175 nan 8.190 nan 0.000 0.425 279 L N 7.201 128.170 121.223 -0.424 0.000 2.410 279 L HA 0.432 4.763 4.340 -0.014 0.000 0.273 279 L C -0.747 175.958 176.870 -0.276 0.000 1.144 279 L CA 0.454 54.817 54.840 -0.796 0.000 0.863 279 L CB 0.309 41.821 42.059 -0.912 0.000 1.140 279 L HN 0.673 nan 8.230 nan 0.000 0.463 280 Y N 7.153 127.365 120.300 -0.147 0.000 2.650 280 Y HA 0.148 4.690 4.550 -0.014 0.000 0.331 280 Y C -1.368 174.529 175.900 -0.005 0.000 1.165 280 Y CA -1.064 57.026 58.100 -0.018 0.000 1.473 280 Y CB 0.243 38.722 38.460 0.032 0.000 1.224 280 Y HN 0.571 nan 8.280 nan 0.000 0.533 281 P HA 0.041 nan 4.420 nan 0.000 0.244 281 P C -0.897 176.538 177.300 0.225 0.000 1.632 281 P CA 0.070 63.278 63.100 0.180 0.000 0.944 281 P CB 0.106 31.999 31.700 0.321 0.000 1.569 282 N N 1.226 120.070 118.700 0.240 0.000 2.426 282 N HA 0.141 4.873 4.740 -0.014 0.000 0.275 282 N C -0.524 175.154 175.510 0.281 0.000 1.019 282 N CA 0.106 53.325 53.050 0.281 0.000 0.941 282 N CB 1.374 40.084 38.487 0.371 0.000 1.123 282 N HN 0.116 nan 8.380 nan 0.000 0.486 283 D N 1.904 122.505 120.400 0.336 0.000 2.303 283 D HA 0.094 4.726 4.640 -0.014 0.000 0.236 283 D C -0.142 176.507 176.300 0.581 0.000 1.068 283 D CA -0.213 54.035 54.000 0.413 0.000 0.830 283 D CB 0.464 41.526 40.800 0.435 0.000 1.109 283 D HN 0.324 nan 8.370 nan 0.000 0.496 284 N N 2.841 121.774 118.700 0.389 0.000 2.725 284 N HA -0.264 4.468 4.740 -0.014 0.000 0.251 284 N C -1.552 174.209 175.510 0.417 0.000 1.031 284 N CA 0.638 53.866 53.050 0.296 0.000 0.720 284 N CB -1.359 37.195 38.487 0.111 0.000 0.930 284 N HN 0.451 nan 8.380 nan 0.000 0.543 285 F N 0.510 120.589 119.950 0.215 0.000 2.622 285 F HA 0.415 4.933 4.527 -0.014 0.000 0.318 285 F C -1.352 174.546 175.800 0.163 0.000 1.135 285 F CA -1.152 56.944 58.000 0.161 0.000 1.015 285 F CB 0.819 39.885 39.000 0.109 0.000 1.275 285 F HN -0.012 nan 8.300 nan 0.000 0.457 286 F N 6.006 125.536 119.950 -0.701 0.000 2.410 286 F HA 0.469 4.987 4.527 -0.014 0.000 0.349 286 F C -0.427 174.935 175.800 -0.730 0.000 1.117 286 F CA -0.175 57.481 58.000 -0.573 0.000 1.104 286 F CB 0.750 39.456 39.000 -0.490 0.000 1.122 286 F HN 0.591 nan 8.300 nan 0.000 0.483 287 E N 4.227 123.858 120.200 -0.948 0.000 2.145 287 E HA 0.298 4.640 4.350 -0.014 0.000 0.262 287 E C -0.092 175.785 176.600 -1.205 0.000 0.883 287 E CA -0.725 55.190 56.400 -0.808 0.000 0.748 287 E CB 1.323 30.917 29.700 -0.175 0.000 1.140 287 E HN 0.916 nan 8.360 nan 0.000 0.417 288 G N 5.299 113.300 108.800 -1.332 0.000 3.316 288 G HA2 0.036 3.988 3.960 -0.014 0.000 0.255 288 G HA3 0.036 3.988 3.960 -0.014 0.000 0.255 288 G C -0.063 174.742 174.900 -0.158 0.000 0.880 288 G CA -0.198 44.277 45.100 -1.042 0.000 1.956 288 G HN 0.200 nan 8.290 nan 0.000 0.634 289 K N 0.393 120.781 120.400 -0.019 0.000 2.123 289 K HA 0.205 4.517 4.320 -0.014 0.000 0.259 289 K C 0.913 177.659 176.600 0.244 0.000 0.960 289 K CA -0.702 55.665 56.287 0.134 0.000 0.872 289 K CB 2.320 34.891 32.500 0.118 0.000 1.079 289 K HN 0.405 nan 8.250 nan 0.000 0.440 290 E N 1.577 121.883 120.200 0.177 0.000 2.085 290 E HA -0.218 4.123 4.350 -0.014 0.000 0.194 290 E C 1.541 178.167 176.600 0.043 0.000 0.994 290 E CA 1.102 57.553 56.400 0.085 0.000 0.801 290 E CB 0.147 29.900 29.700 0.089 0.000 0.743 290 E HN 0.405 nan 8.360 nan 0.000 0.453 291 L N 1.337 122.631 121.223 0.119 0.000 2.079 291 L HA -0.186 4.146 4.340 -0.014 0.000 0.210 291 L C 2.469 179.438 176.870 0.165 0.000 1.081 291 L CA 1.830 56.759 54.840 0.148 0.000 0.752 291 L CB -0.522 41.695 42.059 0.264 0.000 0.896 291 L HN 0.023 nan 8.230 nan 0.000 0.433 292 R N -0.613 119.934 120.500 0.079 0.000 2.075 292 R HA -0.155 4.176 4.340 -0.014 0.000 0.232 292 R C 2.105 178.451 176.300 0.076 0.000 1.126 292 R CA 1.850 57.923 56.100 -0.045 0.000 0.963 292 R CB -1.048 28.999 30.300 -0.422 0.000 0.858 292 R HN 0.409 nan 8.270 nan 0.000 0.435 293 L N 0.915 122.085 121.223 -0.088 0.000 2.083 293 L HA -0.075 4.257 4.340 -0.014 0.000 0.209 293 L C 1.666 178.471 176.870 -0.109 0.000 1.083 293 L CA 1.904 56.475 54.840 -0.449 0.000 0.752 293 L CB -0.417 41.048 42.059 -0.991 0.000 0.899 293 L HN 0.160 nan 8.230 nan 0.000 0.433 294 K N -1.014 119.368 120.400 -0.030 0.000 2.097 294 K HA -0.187 4.124 4.320 -0.014 0.000 0.206 294 K C 2.087 178.853 176.600 0.276 0.000 1.049 294 K CA 1.696 58.030 56.287 0.079 0.000 0.933 294 K CB -0.177 32.172 32.500 -0.252 0.000 0.717 294 K HN 0.510 nan 8.250 nan 0.000 0.442 295 Q N 0.677 120.606 119.800 0.215 0.000 2.084 295 Q HA -0.186 4.145 4.340 -0.014 0.000 0.202 295 Q C 1.949 178.156 176.000 0.346 0.000 0.978 295 Q CA 1.442 57.432 55.803 0.313 0.000 0.844 295 Q CB -0.011 28.931 28.738 0.339 0.000 0.898 295 Q HN 0.381 nan 8.270 nan 0.000 0.426 296 E N -0.245 120.111 120.200 0.259 0.000 2.077 296 E HA -0.211 4.131 4.350 -0.014 0.000 0.193 296 E C 1.719 178.442 176.600 0.204 0.000 0.989 296 E CA 1.027 57.563 56.400 0.226 0.000 0.800 296 E CB -0.116 29.697 29.700 0.187 0.000 0.746 296 E HN 0.329 nan 8.360 nan 0.000 0.452 297 Y N 0.320 120.675 120.300 0.091 0.000 2.263 297 Y HA -0.179 4.363 4.550 -0.014 0.000 0.292 297 Y C 1.946 177.884 175.900 0.063 0.000 1.130 297 Y CA 0.909 59.016 58.100 0.011 0.000 1.179 297 Y CB -0.356 38.078 38.460 -0.043 0.000 0.998 297 Y HN 0.007 nan 8.280 nan 0.000 0.532 298 F N -0.238 119.713 119.950 0.001 0.000 2.091 298 F HA -0.249 4.269 4.527 -0.014 0.000 0.299 298 F C 2.477 178.132 175.800 -0.241 0.000 1.103 298 F CA 2.034 59.980 58.000 -0.090 0.000 1.228 298 F CB -1.064 38.045 39.000 0.181 0.000 0.984 298 F HN -0.049 nan 8.300 nan 0.000 0.477 299 V N -0.456 119.414 119.914 -0.073 0.000 2.358 299 V HA -0.207 3.904 4.120 -0.014 0.000 0.246 299 V C 2.205 178.154 176.094 -0.242 0.000 1.047 299 V CA 2.010 64.246 62.300 -0.107 0.000 1.035 299 V CB -0.430 31.531 31.823 0.230 0.000 0.658 299 V HN 0.260 nan 8.190 nan 0.000 0.452 300 V N 0.450 120.231 119.914 -0.221 0.000 2.307 300 V HA -0.183 3.929 4.120 -0.014 0.000 0.245 300 V C 2.819 178.659 176.094 -0.423 0.000 1.045 300 V CA 2.194 64.350 62.300 -0.239 0.000 1.024 300 V CB -1.080 30.666 31.823 -0.128 0.000 0.651 300 V HN 0.656 nan 8.190 nan 0.000 0.449 301 A N -0.218 122.173 122.820 -0.716 0.000 1.873 301 A HA -0.084 4.227 4.320 -0.014 0.000 0.215 301 A C 2.403 179.607 177.584 -0.634 0.000 1.186 301 A CA 2.051 53.653 52.037 -0.725 0.000 0.616 301 A CB -0.819 17.511 19.000 -1.118 0.000 0.823 301 A HN 0.561 nan 8.150 nan 0.000 0.442 302 A N -1.008 121.267 122.820 -0.907 0.000 1.902 302 A HA -0.068 4.243 4.320 -0.014 0.000 0.217 302 A C 2.314 179.377 177.584 -0.869 0.000 1.181 302 A CA 2.293 53.590 52.037 -1.233 0.000 0.623 302 A CB -1.290 16.295 19.000 -2.359 0.000 0.818 302 A HN 0.428 nan 8.150 nan 0.000 0.443 303 T N 0.465 114.666 114.554 -0.588 0.000 2.708 303 T HA -0.102 4.239 4.350 -0.014 0.000 0.266 303 T C 1.836 176.264 174.700 -0.453 0.000 1.037 303 T CA 1.493 63.362 62.100 -0.384 0.000 1.146 303 T CB -0.392 68.259 68.868 -0.361 0.000 0.865 303 T HN 0.339 nan 8.240 nan 0.000 0.435 304 L N 0.682 121.689 121.223 -0.360 0.000 2.083 304 L HA -0.158 4.173 4.340 -0.014 0.000 0.209 304 L C 2.943 179.697 176.870 -0.193 0.000 1.083 304 L CA 1.384 56.066 54.840 -0.263 0.000 0.752 304 L CB -0.516 41.430 42.059 -0.189 0.000 0.899 304 L HN 0.347 nan 8.230 nan 0.000 0.433 305 Q N -0.564 119.118 119.800 -0.195 0.000 2.096 305 Q HA -0.261 4.071 4.340 -0.014 0.000 0.204 305 Q C 1.780 177.744 176.000 -0.060 0.000 0.982 305 Q CA 1.820 57.557 55.803 -0.110 0.000 0.850 305 Q CB -0.124 28.534 28.738 -0.133 0.000 0.901 305 Q HN 0.410 nan 8.270 nan 0.000 0.422 306 D N 0.442 120.795 120.400 -0.078 0.000 2.117 306 D HA -0.096 4.535 4.640 -0.014 0.000 0.198 306 D C 1.675 177.916 176.300 -0.100 0.000 0.982 306 D CA 0.836 54.841 54.000 0.007 0.000 0.828 306 D CB -0.028 40.891 40.800 0.199 0.000 0.967 306 D HN 0.157 nan 8.370 nan 0.000 0.464 307 I N 0.093 120.487 120.570 -0.293 0.000 2.179 307 I HA -0.252 3.909 4.170 -0.014 0.000 0.242 307 I C 2.286 178.405 176.117 0.003 0.000 1.088 307 I CA 0.808 61.871 61.300 -0.396 0.000 1.357 307 I CB -0.149 37.467 38.000 -0.640 0.000 1.051 307 I HN 0.049 nan 8.210 nan 0.000 0.409 308 I N 0.201 120.835 120.570 0.107 0.000 2.252 308 I HA -0.275 3.886 4.170 -0.014 0.000 0.245 308 I C 2.757 179.039 176.117 0.275 0.000 1.102 308 I CA 1.105 62.592 61.300 0.313 0.000 1.385 308 I CB -0.368 37.767 38.000 0.224 0.000 1.064 308 I HN 0.163 nan 8.210 nan 0.000 0.414 309 R N 1.207 121.792 120.500 0.141 0.000 2.094 309 R HA -0.246 4.085 4.340 -0.014 0.000 0.239 309 R C 2.499 178.859 176.300 0.100 0.000 1.137 309 R CA 1.927 58.090 56.100 0.105 0.000 0.943 309 R CB -0.307 30.032 30.300 0.065 0.000 0.850 309 R HN 0.177 nan 8.270 nan 0.000 0.433 310 R N -0.714 119.841 120.500 0.091 0.000 2.096 310 R HA -0.168 4.164 4.340 -0.014 0.000 0.235 310 R C 2.169 178.553 176.300 0.139 0.000 1.127 310 R CA 1.736 57.893 56.100 0.095 0.000 0.968 310 R CB -0.383 29.962 30.300 0.075 0.000 0.861 310 R HN 0.338 nan 8.270 nan 0.000 0.440 311 F N 1.371 121.348 119.950 0.046 0.000 2.146 311 F HA -0.099 4.420 4.527 -0.014 0.000 0.298 311 F C 1.634 177.438 175.800 0.007 0.000 1.096 311 F CA 1.522 59.543 58.000 0.035 0.000 1.275 311 F CB 0.045 39.115 39.000 0.115 0.000 1.008 311 F HN -0.132 nan 8.300 nan 0.000 0.480 312 K N -0.344 120.009 120.400 -0.078 0.000 2.217 312 K HA 0.003 4.315 4.320 -0.014 0.000 0.202 312 K C 1.361 177.865 176.600 -0.160 0.000 1.051 312 K CA 1.087 57.252 56.287 -0.204 0.000 0.952 312 K CB -0.180 32.319 32.500 -0.001 0.000 0.736 312 K HN 0.092 nan 8.250 nan 0.000 0.453 313 S N 1.307 116.972 115.700 -0.059 0.000 2.768 313 S HA 0.121 4.583 4.470 -0.014 0.000 0.246 313 S C -0.010 174.597 174.600 0.012 0.000 1.006 313 S CA -0.289 57.918 58.200 0.012 0.000 1.075 313 S CB 0.162 63.409 63.200 0.079 0.000 0.786 313 S HN 0.110 nan 8.310 nan 0.000 0.468 325 N N 0.840 119.485 118.700 -0.090 0.000 2.527 325 N HA 0.286 5.018 4.740 -0.014 0.000 0.236 325 N C -0.335 175.215 175.510 0.067 0.000 0.999 325 N CA -0.179 52.889 53.050 0.030 0.000 0.935 325 N CB 0.341 38.849 38.487 0.034 0.000 1.132 325 N HN 0.276 nan 8.380 nan 0.000 0.511 326 F N 1.957 122.017 119.950 0.184 0.000 2.797 326 F HA 0.138 4.656 4.527 -0.014 0.000 0.302 326 F C 1.329 177.194 175.800 0.107 0.000 1.130 326 F CA -0.102 57.979 58.000 0.135 0.000 1.387 326 F CB 0.402 39.361 39.000 -0.069 0.000 1.107 326 F HN 0.467 nan 8.300 nan 0.000 0.577 327 D N 0.442 120.980 120.400 0.230 0.000 2.178 327 D HA -0.160 4.471 4.640 -0.014 0.000 0.201 327 D C 2.170 178.561 176.300 0.153 0.000 0.980 327 D CA 1.281 55.374 54.000 0.155 0.000 0.842 327 D CB -0.044 40.823 40.800 0.111 0.000 0.948 327 D HN 0.237 nan 8.370 nan 0.000 0.472 328 A N -0.751 122.189 122.820 0.200 0.000 2.275 328 A HA 0.106 4.417 4.320 -0.014 0.000 0.212 328 A C 1.547 179.258 177.584 0.212 0.000 1.201 328 A CA -0.284 51.869 52.037 0.195 0.000 0.843 328 A CB -0.726 18.392 19.000 0.197 0.000 0.873 328 A HN 0.215 nan 8.150 nan 0.000 0.492 329 F N 1.944 121.863 119.950 -0.053 0.000 2.063 329 F HA -0.160 4.359 4.527 -0.014 0.000 0.298 329 F C -0.756 174.936 175.800 -0.180 0.000 1.109 329 F CA 2.671 60.417 58.000 -0.423 0.000 1.212 329 F CB -0.551 38.196 39.000 -0.421 0.000 0.973 329 F HN 0.204 nan 8.300 nan 0.000 0.480 330 P HA -0.090 nan 4.420 nan 0.000 0.226 330 P C 0.694 177.957 177.300 -0.062 0.000 1.153 330 P CA 1.420 64.497 63.100 -0.039 0.000 0.777 330 P CB -0.059 31.640 31.700 -0.001 0.000 0.794 331 D N -0.850 119.534 120.400 -0.027 0.000 2.289 331 D HA -0.023 4.609 4.640 -0.014 0.000 0.207 331 D C 1.545 177.834 176.300 -0.017 0.000 0.966 331 D CA 0.896 54.892 54.000 -0.007 0.000 0.868 331 D CB 0.116 40.931 40.800 0.026 0.000 0.943 331 D HN 0.125 nan 8.370 nan 0.000 0.514 332 K N 0.064 120.436 120.400 -0.046 0.000 2.380 332 K HA 0.207 4.519 4.320 -0.014 0.000 0.198 332 K C -0.089 176.436 176.600 -0.125 0.000 1.070 332 K CA 0.080 56.351 56.287 -0.027 0.000 1.040 332 K CB 2.261 34.849 32.500 0.147 0.000 0.903 332 K HN -0.058 nan 8.250 nan 0.000 0.549 333 V N 1.011 120.764 119.914 -0.269 0.000 2.686 333 V HA 0.590 4.701 4.120 -0.014 0.000 0.306 333 V C -1.041 174.968 176.094 -0.141 0.000 1.065 333 V CA -1.282 60.854 62.300 -0.273 0.000 0.894 333 V CB 1.805 33.166 31.823 -0.770 0.000 1.004 333 V HN 0.101 nan 8.190 nan 0.000 0.424 334 A N 5.711 128.497 122.820 -0.057 0.000 2.343 334 A HA 0.922 5.234 4.320 -0.014 0.000 0.316 334 A C -0.919 176.694 177.584 0.049 0.000 1.104 334 A CA -0.483 51.554 52.037 -0.000 0.000 0.768 334 A CB 0.918 19.873 19.000 -0.075 0.000 1.213 334 A HN 0.776 nan 8.150 nan 0.000 0.456 335 I N 1.896 122.539 120.570 0.122 0.000 2.355 335 I HA 0.292 4.453 4.170 -0.014 0.000 0.288 335 I C -0.263 175.950 176.117 0.161 0.000 0.999 335 I CA -0.523 60.861 61.300 0.140 0.000 1.163 335 I CB 1.876 39.940 38.000 0.106 0.000 1.316 335 I HN 0.687 nan 8.210 nan 0.000 0.454 336 Q N 6.867 126.762 119.800 0.158 0.000 2.314 336 Q HA 0.492 4.823 4.340 -0.014 0.000 0.259 336 Q C -1.292 174.725 176.000 0.028 0.000 0.951 336 Q CA -0.256 55.672 55.803 0.208 0.000 0.909 336 Q CB 1.256 30.233 28.738 0.397 0.000 1.236 336 Q HN 0.574 nan 8.270 nan 0.000 0.444 337 L N 3.841 125.117 121.223 0.088 0.000 2.261 337 L HA 0.377 4.708 4.340 -0.014 0.000 0.289 337 L C 0.071 176.980 176.870 0.065 0.000 1.059 337 L CA -0.714 54.168 54.840 0.069 0.000 0.816 337 L CB 0.534 42.682 42.059 0.147 0.000 1.191 337 L HN 0.569 nan 8.230 nan 0.000 0.431 338 N N 4.447 123.095 118.700 -0.087 0.000 2.448 338 N HA 0.049 4.781 4.740 -0.014 0.000 0.250 338 N C -0.131 175.401 175.510 0.037 0.000 1.136 338 N CA 0.528 53.575 53.050 -0.006 0.000 0.953 338 N CB -0.057 38.316 38.487 -0.189 0.000 1.251 338 N HN 0.610 nan 8.380 nan 0.000 0.502 339 D N -0.005 120.529 120.400 0.223 0.000 4.658 339 D HA -0.222 4.409 4.640 -0.014 0.000 0.304 339 D C 0.304 176.707 176.300 0.170 0.000 2.363 339 D CA 1.523 55.622 54.000 0.165 0.000 1.179 339 D CB -0.513 40.066 40.800 -0.369 0.000 1.091 339 D HN 0.522 nan 8.370 nan 0.000 1.274 340 T N -2.426 112.163 114.554 0.059 0.000 3.129 340 T HA 0.085 4.426 4.350 -0.014 0.000 0.251 340 T C 1.628 176.399 174.700 0.118 0.000 1.117 340 T CA 1.492 63.605 62.100 0.022 0.000 1.034 340 T CB -0.495 68.350 68.868 -0.037 0.000 0.968 340 T HN 0.503 nan 8.240 nan 0.000 0.526 341 H N 2.661 121.823 119.070 0.153 0.000 2.353 341 H HA -0.012 4.536 4.556 -0.014 0.000 0.298 341 H C -0.881 174.541 175.328 0.156 0.000 1.103 341 H CA 1.042 57.195 56.048 0.176 0.000 1.293 341 H CB -0.949 28.918 29.762 0.175 0.000 1.372 341 H HN 0.435 nan 8.280 nan 0.000 0.501 342 P HA 0.079 nan 4.420 nan 0.000 0.254 342 P C 0.663 178.013 177.300 0.083 0.000 1.620 342 P CA 0.326 63.513 63.100 0.144 0.000 1.050 342 P CB 0.279 32.052 31.700 0.122 0.000 1.539 343 S N -0.325 115.417 115.700 0.071 0.000 2.442 343 S HA -0.122 4.340 4.470 -0.014 0.000 0.236 343 S C 1.730 176.336 174.600 0.009 0.000 1.007 343 S CA 0.763 58.963 58.200 -0.000 0.000 0.965 343 S CB -1.447 61.727 63.200 -0.043 0.000 0.773 343 S HN 0.157 nan 8.310 nan 0.000 0.504 344 L N 1.029 122.272 121.223 0.034 0.000 2.456 344 L HA 0.024 4.356 4.340 -0.014 0.000 0.224 344 L C 2.932 179.840 176.870 0.062 0.000 1.148 344 L CA 0.605 55.465 54.840 0.035 0.000 0.825 344 L CB -0.784 41.293 42.059 0.030 0.000 0.937 344 L HN 0.462 nan 8.230 nan 0.000 0.450 345 A N 0.687 123.527 122.820 0.033 0.000 1.948 345 A HA -0.218 4.094 4.320 -0.014 0.000 0.220 345 A C 2.181 179.769 177.584 0.006 0.000 1.177 345 A CA 1.655 53.697 52.037 0.009 0.000 0.636 345 A CB -0.496 18.503 19.000 -0.002 0.000 0.815 345 A HN 0.376 nan 8.150 nan 0.000 0.449 346 I N 0.236 120.811 120.570 0.008 0.000 2.133 346 I HA -0.144 4.018 4.170 -0.014 0.000 0.238 346 I C -0.340 175.800 176.117 0.038 0.000 1.074 346 I CA 1.585 62.888 61.300 0.005 0.000 1.342 346 I CB -1.011 36.994 38.000 0.008 0.000 1.053 346 I HN 0.246 nan 8.210 nan 0.000 0.404 347 P HA -0.172 nan 4.420 nan 0.000 0.221 347 P C 1.291 178.627 177.300 0.059 0.000 1.150 347 P CA 1.503 64.645 63.100 0.070 0.000 0.800 347 P CB 0.037 31.800 31.700 0.106 0.000 0.787 348 E N 0.282 120.587 120.200 0.174 0.000 2.072 348 E HA -0.157 4.184 4.350 -0.014 0.000 0.191 348 E C 1.936 178.530 176.600 -0.009 0.000 0.985 348 E CA 0.716 57.233 56.400 0.193 0.000 0.801 348 E CB -1.234 28.627 29.700 0.268 0.000 0.750 348 E HN -0.006 nan 8.360 nan 0.000 0.452 349 L N -0.028 121.157 121.223 -0.063 0.000 2.046 349 L HA -0.118 4.213 4.340 -0.014 0.000 0.208 349 L C 2.103 178.833 176.870 -0.233 0.000 1.077 349 L CA 1.778 56.520 54.840 -0.165 0.000 0.747 349 L CB -0.581 41.383 42.059 -0.157 0.000 0.896 349 L HN 0.241 nan 8.230 nan 0.000 0.432 350 M N -0.802 118.678 119.600 -0.201 0.000 2.080 350 M HA -0.222 4.250 4.480 -0.014 0.000 0.260 350 M C 2.432 178.565 176.300 -0.278 0.000 1.068 350 M CA 1.590 56.715 55.300 -0.291 0.000 1.109 350 M CB -1.244 31.170 32.600 -0.311 0.000 1.342 350 M HN 0.335 nan 8.290 nan 0.000 0.405 351 R N 0.048 120.412 120.500 -0.226 0.000 2.080 351 R HA -0.143 4.189 4.340 -0.014 0.000 0.236 351 R C 2.069 178.261 176.300 -0.180 0.000 1.137 351 R CA 1.807 57.773 56.100 -0.224 0.000 0.943 351 R CB -0.224 29.887 30.300 -0.315 0.000 0.846 351 R HN 0.216 nan 8.270 nan 0.000 0.431 352 V N 1.446 121.253 119.914 -0.177 0.000 2.295 352 V HA -0.253 3.858 4.120 -0.014 0.000 0.246 352 V C 2.426 178.351 176.094 -0.281 0.000 1.049 352 V CA 1.758 63.946 62.300 -0.187 0.000 1.024 352 V CB -0.420 31.293 31.823 -0.184 0.000 0.648 352 V HN 0.345 nan 8.190 nan 0.000 0.447 353 L N -0.621 120.371 121.223 -0.385 0.000 2.056 353 L HA -0.130 4.201 4.340 -0.014 0.000 0.207 353 L C 2.392 179.073 176.870 -0.314 0.000 1.078 353 L CA 1.120 55.666 54.840 -0.490 0.000 0.749 353 L CB -0.618 41.108 42.059 -0.555 0.000 0.901 353 L HN 0.208 nan 8.230 nan 0.000 0.433 354 V N -0.528 119.245 119.914 -0.236 0.000 2.300 354 V HA -0.184 3.927 4.120 -0.014 0.000 0.241 354 V C 1.969 178.017 176.094 -0.078 0.000 1.034 354 V CA 1.708 63.933 62.300 -0.125 0.000 1.021 354 V CB -0.375 31.406 31.823 -0.070 0.000 0.662 354 V HN 0.345 nan 8.190 nan 0.000 0.458 355 D N -0.058 120.291 120.400 -0.085 0.000 2.183 355 D HA -0.017 4.614 4.640 -0.014 0.000 0.203 355 D C 1.966 178.236 176.300 -0.051 0.000 0.969 355 D CA 1.185 55.152 54.000 -0.055 0.000 0.842 355 D CB 0.098 40.862 40.800 -0.059 0.000 0.957 355 D HN 0.347 nan 8.370 nan 0.000 0.484 356 L N -0.030 121.146 121.223 -0.077 0.000 2.467 356 L HA 0.145 4.476 4.340 -0.014 0.000 0.213 356 L C 1.798 178.635 176.870 -0.055 0.000 1.053 356 L CA 0.360 55.167 54.840 -0.056 0.000 0.847 356 L CB 0.174 42.201 42.059 -0.053 0.000 1.075 356 L HN -0.211 nan 8.230 nan 0.000 0.479 357 E N 0.484 120.614 120.200 -0.115 0.000 2.447 357 E HA 0.056 4.397 4.350 -0.014 0.000 0.195 357 E C 0.115 176.679 176.600 -0.061 0.000 1.028 357 E CA -0.024 56.316 56.400 -0.100 0.000 0.876 357 E CB 0.397 29.912 29.700 -0.310 0.000 0.885 357 E HN 0.198 nan 8.360 nan 0.000 0.500 358 R N -0.312 120.146 120.500 -0.069 0.000 3.776 358 R HA -0.182 4.150 4.340 -0.014 0.000 0.312 358 R C -0.322 175.963 176.300 -0.024 0.000 1.181 358 R CA 0.223 56.306 56.100 -0.028 0.000 0.836 358 R CB -2.857 27.445 30.300 0.004 0.000 1.324 358 R HN 0.079 nan 8.270 nan 0.000 0.501 359 L N 2.609 123.789 121.223 -0.073 0.000 2.417 359 L HA 0.120 4.452 4.340 -0.014 0.000 0.268 359 L C 1.474 178.336 176.870 -0.012 0.000 1.158 359 L CA 0.326 55.134 54.840 -0.054 0.000 0.819 359 L CB 0.390 42.368 42.059 -0.135 0.000 1.112 359 L HN 0.137 nan 8.230 nan 0.000 0.458 360 D N 1.359 121.777 120.400 0.031 0.000 2.368 360 D HA -0.151 4.480 4.640 -0.014 0.000 0.240 360 D C 0.935 177.304 176.300 0.115 0.000 1.169 360 D CA -0.492 53.561 54.000 0.088 0.000 0.906 360 D CB 0.701 41.558 40.800 0.095 0.000 1.187 360 D HN 0.617 nan 8.370 nan 0.000 0.435 361 W N 1.922 123.226 121.300 0.006 0.000 2.317 361 W HA -0.234 4.417 4.660 -0.014 0.000 0.318 361 W C 1.122 177.687 176.519 0.077 0.000 1.227 361 W CA 1.941 59.296 57.345 0.017 0.000 1.269 361 W CB -0.320 29.129 29.460 -0.017 0.000 1.155 361 W HN 0.455 nan 8.180 nan 0.000 0.484 362 D N 0.334 120.939 120.400 0.341 0.000 2.123 362 D HA -0.220 4.411 4.640 -0.014 0.000 0.196 362 D C 1.877 178.282 176.300 0.175 0.000 0.992 362 D CA 2.123 56.295 54.000 0.285 0.000 0.833 362 D CB -0.442 40.494 40.800 0.226 0.000 0.954 362 D HN 0.098 nan 8.370 nan 0.000 0.455 363 K N 1.128 121.587 120.400 0.098 0.000 2.062 363 K HA 0.036 4.348 4.320 -0.014 0.000 0.205 363 K C 1.853 178.443 176.600 -0.018 0.000 1.051 363 K CA 1.456 57.773 56.287 0.049 0.000 0.941 363 K CB -0.576 31.949 32.500 0.041 0.000 0.719 363 K HN -0.009 nan 8.250 nan 0.000 0.440 364 A N 0.763 123.530 122.820 -0.089 0.000 1.908 364 A HA -0.199 4.113 4.320 -0.014 0.000 0.218 364 A C 2.266 179.750 177.584 -0.167 0.000 1.181 364 A CA 1.585 53.498 52.037 -0.206 0.000 0.627 364 A CB -1.247 17.564 19.000 -0.315 0.000 0.818 364 A HN 0.707 nan 8.150 nan 0.000 0.445 365 W N 0.562 121.649 121.300 -0.354 0.000 2.381 365 W HA -0.162 4.489 4.660 -0.014 0.000 0.301 365 W C 2.014 178.472 176.519 -0.101 0.000 1.205 365 W CA 1.768 58.952 57.345 -0.268 0.000 1.285 365 W CB -0.154 29.183 29.460 -0.205 0.000 1.133 365 W HN 0.619 nan 8.180 nan 0.000 0.521 366 E N 0.170 120.356 120.200 -0.023 0.000 2.058 366 E HA -0.243 4.099 4.350 -0.014 0.000 0.194 366 E C 2.039 178.559 176.600 -0.133 0.000 0.997 366 E CA 2.117 58.469 56.400 -0.080 0.000 0.801 366 E CB -0.355 29.358 29.700 0.022 0.000 0.746 366 E HN 0.055 nan 8.360 nan 0.000 0.450 367 V N 0.723 120.576 119.914 -0.103 0.000 2.295 367 V HA -0.272 3.839 4.120 -0.014 0.000 0.246 367 V C 2.414 178.442 176.094 -0.110 0.000 1.049 367 V CA 2.222 64.480 62.300 -0.070 0.000 1.024 367 V CB -0.806 30.970 31.823 -0.079 0.000 0.648 367 V HN 0.402 nan 8.190 nan 0.000 0.447 368 T N 0.062 114.477 114.554 -0.232 0.000 2.652 368 T HA -0.193 4.149 4.350 -0.014 0.000 0.267 368 T C 1.949 176.463 174.700 -0.309 0.000 1.039 368 T CA 1.834 63.769 62.100 -0.275 0.000 1.153 368 T CB -0.339 68.308 68.868 -0.368 0.000 0.863 368 T HN 0.273 nan 8.240 nan 0.000 0.428 369 V N 1.455 121.061 119.914 -0.513 0.000 2.287 369 V HA -0.207 3.904 4.120 -0.014 0.000 0.248 369 V C 2.378 178.431 176.094 -0.068 0.000 1.053 369 V CA 1.730 63.794 62.300 -0.394 0.000 1.027 369 V CB -0.514 31.005 31.823 -0.508 0.000 0.646 369 V HN 0.469 nan 8.190 nan 0.000 0.447 370 K N -0.563 119.779 120.400 -0.097 0.000 2.283 370 K HA -0.087 4.225 4.320 -0.014 0.000 0.202 370 K C 2.096 178.666 176.600 -0.050 0.000 1.048 370 K CA 1.513 57.720 56.287 -0.133 0.000 0.948 370 K CB -0.209 32.211 32.500 -0.133 0.000 0.742 370 K HN 0.486 nan 8.250 nan 0.000 0.458 371 T N 0.170 114.757 114.554 0.055 0.000 2.939 371 T HA 0.014 4.355 4.350 -0.014 0.000 0.254 371 T C 0.896 175.709 174.700 0.188 0.000 1.041 371 T CA 0.427 62.596 62.100 0.114 0.000 1.142 371 T CB 0.098 69.067 68.868 0.169 0.000 0.874 371 T HN 0.165 nan 8.240 nan 0.000 0.452 372 C N 2.425 121.819 119.300 0.156 0.000 2.401 372 C HA 0.875 5.327 4.460 -0.014 0.000 0.365 372 C C 0.605 175.648 174.990 0.088 0.000 1.250 372 C CA -1.255 57.830 59.018 0.112 0.000 2.131 372 C CB 0.011 27.757 27.740 0.009 0.000 2.445 372 C HN 0.592 nan 8.230 nan 0.000 0.550 373 A N 2.287 125.155 122.820 0.080 0.000 2.475 373 A HA 0.780 5.091 4.320 -0.014 0.000 0.301 373 A C -1.540 176.117 177.584 0.122 0.000 1.059 373 A CA -0.435 51.591 52.037 -0.018 0.000 0.710 373 A CB 1.076 20.058 19.000 -0.029 0.000 1.288 373 A HN 0.947 nan 8.150 nan 0.000 0.408 374 Y N 1.079 121.330 120.300 -0.080 0.000 2.361 374 Y HA 0.613 5.155 4.550 -0.014 0.000 0.337 374 Y C -0.556 175.333 175.900 -0.018 0.000 0.965 374 Y CA -0.327 57.741 58.100 -0.052 0.000 1.091 374 Y CB 2.000 40.385 38.460 -0.126 0.000 1.182 374 Y HN 0.568 nan 8.280 nan 0.000 0.450 375 T N 6.585 120.943 114.554 -0.326 0.000 2.758 375 T HA 0.177 4.518 4.350 -0.014 0.000 0.285 375 T C -0.662 173.573 174.700 -0.775 0.000 0.981 375 T CA -0.754 61.078 62.100 -0.447 0.000 0.965 375 T CB 0.386 69.227 68.868 -0.044 0.000 0.927 375 T HN 0.649 nan 8.240 nan 0.000 0.448 376 N N 1.820 120.050 118.700 -0.782 0.000 2.498 376 N HA 0.126 4.857 4.740 -0.014 0.000 0.287 376 N C -0.008 175.394 175.510 -0.179 0.000 1.097 376 N CA -0.307 52.540 53.050 -0.339 0.000 0.973 376 N CB 0.754 39.229 38.487 -0.019 0.000 1.153 376 N HN 0.672 nan 8.380 nan 0.000 0.472 377 H N 0.916 120.023 119.070 0.063 0.000 3.058 377 H HA 0.177 4.724 4.556 -0.014 0.000 0.266 377 H C -0.288 174.943 175.328 -0.162 0.000 1.135 377 H CA -0.059 55.961 56.048 -0.047 0.000 1.174 377 H CB 1.187 30.931 29.762 -0.030 0.000 1.581 377 H HN 0.492 nan 8.280 nan 0.000 0.553 378 T N 0.423 115.000 114.554 0.038 0.000 2.886 378 T HA 0.247 4.588 4.350 -0.014 0.000 0.330 378 T C 0.398 175.125 174.700 0.045 0.000 1.488 378 T CA -0.378 61.699 62.100 -0.037 0.000 1.054 378 T CB 1.486 70.338 68.868 -0.027 0.000 1.348 378 T HN -0.017 nan 8.240 nan 0.000 0.489 379 V N 1.626 121.523 119.914 -0.029 0.000 3.477 379 V HA 0.563 4.675 4.120 -0.014 0.000 0.297 379 V C 0.501 176.554 176.094 -0.068 0.000 1.433 379 V CA -0.028 62.239 62.300 -0.055 0.000 1.052 379 V CB -0.384 31.406 31.823 -0.054 0.000 0.895 379 V HN 0.670 nan 8.190 nan 0.000 0.438 380 L N 3.122 124.293 121.223 -0.086 0.000 2.477 380 L HA 0.240 4.571 4.340 -0.014 0.000 0.272 380 L C -0.648 176.214 176.870 -0.013 0.000 1.157 380 L CA -1.067 53.744 54.840 -0.049 0.000 0.889 380 L CB 0.655 42.660 42.059 -0.090 0.000 1.158 380 L HN 0.111 nan 8.230 nan 0.000 0.473 381 P HA -0.217 nan 4.420 nan 0.000 0.216 381 P C 0.986 178.282 177.300 -0.006 0.000 1.150 381 P CA 1.256 64.352 63.100 -0.006 0.000 0.837 381 P CB 0.044 31.747 31.700 0.005 0.000 0.786 382 E N 0.235 120.456 120.200 0.035 0.000 2.418 382 E HA -0.053 4.289 4.350 -0.014 0.000 0.197 382 E C 1.562 178.125 176.600 -0.061 0.000 1.026 382 E CA 1.108 57.514 56.400 0.009 0.000 0.862 382 E CB -0.690 29.107 29.700 0.162 0.000 0.799 382 E HN 0.207 nan 8.360 nan 0.000 0.518 383 A N 1.115 123.939 122.820 0.006 0.000 2.169 383 A HA 0.255 4.567 4.320 -0.014 0.000 0.210 383 A C 1.278 178.850 177.584 -0.020 0.000 1.168 383 A CA -0.327 51.731 52.037 0.036 0.000 0.813 383 A CB 0.015 19.058 19.000 0.072 0.000 0.861 383 A HN 0.140 nan 8.150 nan 0.000 0.481 384 L N 1.609 122.776 121.223 -0.094 0.000 2.367 384 L HA 0.164 4.496 4.340 -0.014 0.000 0.275 384 L C -0.111 176.443 176.870 -0.526 0.000 1.129 384 L CA -0.232 54.496 54.840 -0.187 0.000 0.839 384 L CB 0.721 42.707 42.059 -0.122 0.000 1.133 384 L HN 0.311 nan 8.230 nan 0.000 0.453 385 E N 4.278 124.069 120.200 -0.681 0.000 2.217 385 E HA 0.213 4.554 4.350 -0.014 0.000 0.279 385 E C -0.586 175.388 176.600 -1.043 0.000 1.068 385 E CA -0.129 55.416 56.400 -1.425 0.000 0.882 385 E CB 0.724 29.933 29.700 -0.819 0.000 1.039 385 E HN 0.389 nan 8.360 nan 0.000 0.418 386 R N 3.607 123.353 120.500 -1.256 0.000 2.472 386 R HA 0.199 4.531 4.340 -0.014 0.000 0.294 386 R C -1.313 174.808 176.300 -0.298 0.000 1.243 386 R CA -0.523 55.276 56.100 -0.502 0.000 1.023 386 R CB 0.859 30.998 30.300 -0.269 0.000 1.157 386 R HN 0.450 nan 8.270 nan 0.000 0.530 387 W N 4.685 125.943 121.300 -0.071 0.000 2.322 387 W HA 0.288 4.940 4.660 -0.014 0.000 0.307 387 W C -1.885 174.611 176.519 -0.038 0.000 1.220 387 W CA -2.210 55.151 57.345 0.027 0.000 1.210 387 W CB 0.830 30.281 29.460 -0.015 0.000 1.223 387 W HN 0.262 nan 8.180 nan 0.000 0.511 388 P HA -0.113 nan 4.420 nan 0.000 0.261 388 P C 0.853 178.094 177.300 -0.098 0.000 1.183 388 P CA 0.330 63.406 63.100 -0.040 0.000 0.761 388 P CB 0.654 32.157 31.700 -0.329 0.000 0.785 389 V N 3.562 123.470 119.914 -0.010 0.000 2.324 389 V HA -0.302 3.810 4.120 -0.014 0.000 0.250 389 V C 2.176 178.272 176.094 0.005 0.000 1.060 389 V CA 2.627 64.937 62.300 0.018 0.000 1.042 389 V CB -1.687 30.208 31.823 0.120 0.000 0.650 389 V HN 0.765 nan 8.190 nan 0.000 0.450 390 H N -0.843 118.286 119.070 0.098 0.000 2.421 390 H HA -0.117 4.430 4.556 -0.014 0.000 0.298 390 H C 1.993 177.372 175.328 0.084 0.000 1.087 390 H CA 1.791 57.892 56.048 0.090 0.000 1.330 390 H CB -0.682 29.134 29.762 0.090 0.000 1.388 390 H HN 0.366 nan 8.280 nan 0.000 0.526 391 L N -0.090 120.987 121.223 -0.242 0.000 2.027 391 L HA -0.096 4.235 4.340 -0.014 0.000 0.206 391 L C 2.466 179.291 176.870 -0.075 0.000 1.074 391 L CA 1.060 55.857 54.840 -0.072 0.000 0.745 391 L CB -0.286 41.719 42.059 -0.090 0.000 0.898 391 L HN 0.309 nan 8.230 nan 0.000 0.433 392 L N -0.606 120.546 121.223 -0.119 0.000 2.141 392 L HA -0.215 4.117 4.340 -0.014 0.000 0.209 392 L C 2.510 179.315 176.870 -0.108 0.000 1.094 392 L CA 1.049 55.790 54.840 -0.164 0.000 0.763 392 L CB -0.392 41.558 42.059 -0.182 0.000 0.908 392 L HN 0.320 nan 8.230 nan 0.000 0.437 393 E N -0.291 119.889 120.200 -0.033 0.000 2.077 393 E HA -0.210 4.132 4.350 -0.014 0.000 0.193 393 E C 1.922 178.559 176.600 0.062 0.000 0.989 393 E CA 1.927 58.340 56.400 0.021 0.000 0.800 393 E CB 0.143 29.895 29.700 0.087 0.000 0.746 393 E HN 0.392 nan 8.360 nan 0.000 0.452 394 T N 0.715 115.331 114.554 0.103 0.000 2.809 394 T HA -0.078 4.264 4.350 -0.014 0.000 0.260 394 T C 1.729 176.540 174.700 0.185 0.000 1.039 394 T CA 0.814 63.027 62.100 0.189 0.000 1.141 394 T CB -0.135 68.878 68.868 0.242 0.000 0.869 394 T HN 0.078 nan 8.240 nan 0.000 0.437 395 L N -0.047 121.180 121.223 0.007 0.000 2.127 395 L HA 0.346 4.677 4.340 -0.014 0.000 0.203 395 L C 0.411 177.228 176.870 -0.088 0.000 1.080 395 L CA 1.566 56.290 54.840 -0.194 0.000 0.768 395 L CB 0.071 41.980 42.059 -0.249 0.000 0.924 395 L HN 0.172 nan 8.230 nan 0.000 0.444 396 L N 0.629 121.756 121.223 -0.159 0.000 2.551 396 L HA 0.285 4.616 4.340 -0.014 0.000 0.248 396 L C -1.741 174.937 176.870 -0.319 0.000 1.509 396 L CA -0.912 53.736 54.840 -0.319 0.000 0.842 396 L CB 0.941 42.662 42.059 -0.564 0.000 1.087 396 L HN -0.052 nan 8.230 nan 0.000 0.512 397 P HA -0.183 nan 4.420 nan 0.000 0.217 397 P C 1.479 178.578 177.300 -0.335 0.000 1.150 397 P CA 1.120 64.096 63.100 -0.207 0.000 0.832 397 P CB 0.367 32.027 31.700 -0.067 0.000 0.787 398 R N -0.222 119.886 120.500 -0.652 0.000 2.075 398 R HA -0.145 4.186 4.340 -0.014 0.000 0.232 398 R C 2.320 178.302 176.300 -0.529 0.000 1.126 398 R CA 1.593 57.318 56.100 -0.626 0.000 0.963 398 R CB -1.359 28.400 30.300 -0.901 0.000 0.858 398 R HN 0.220 nan 8.270 nan 0.000 0.435 399 H N -0.247 118.501 119.070 -0.536 0.000 2.387 399 H HA -0.060 4.487 4.556 -0.014 0.000 0.299 399 H C 1.808 176.957 175.328 -0.298 0.000 1.090 399 H CA 1.643 57.464 56.048 -0.379 0.000 1.332 399 H CB -0.102 29.397 29.762 -0.438 0.000 1.386 399 H HN 0.105 nan 8.280 nan 0.000 0.516 400 L N 0.511 121.600 121.223 -0.223 0.000 2.046 400 L HA -0.250 4.081 4.340 -0.014 0.000 0.208 400 L C 1.915 178.571 176.870 -0.357 0.000 1.077 400 L CA 1.602 56.234 54.840 -0.347 0.000 0.747 400 L CB -0.299 41.567 42.059 -0.322 0.000 0.896 400 L HN 0.444 nan 8.230 nan 0.000 0.432 401 Q N -0.338 119.368 119.800 -0.157 0.000 2.096 401 Q HA -0.243 4.088 4.340 -0.014 0.000 0.204 401 Q C 2.157 178.171 176.000 0.024 0.000 0.982 401 Q CA 1.689 57.496 55.803 0.007 0.000 0.850 401 Q CB -0.102 28.643 28.738 0.011 0.000 0.901 401 Q HN 0.555 nan 8.270 nan 0.000 0.422 402 I N 0.261 120.823 120.570 -0.014 0.000 2.252 402 I HA -0.258 3.903 4.170 -0.014 0.000 0.245 402 I C 2.104 178.300 176.117 0.133 0.000 1.102 402 I CA 0.945 62.325 61.300 0.135 0.000 1.385 402 I CB -0.094 37.941 38.000 0.058 0.000 1.064 402 I HN 0.176 nan 8.210 nan 0.000 0.414 403 I N -0.495 120.070 120.570 -0.008 0.000 2.226 403 I HA -0.324 3.838 4.170 -0.014 0.000 0.245 403 I C 2.371 178.513 176.117 0.042 0.000 1.100 403 I CA 1.415 62.702 61.300 -0.021 0.000 1.374 403 I CB -0.411 37.510 38.000 -0.132 0.000 1.057 403 I HN 0.161 nan 8.210 nan 0.000 0.413 404 Y N 0.879 121.183 120.300 0.007 0.000 2.165 404 Y HA -0.283 4.258 4.550 -0.014 0.000 0.286 404 Y C 2.623 178.486 175.900 -0.062 0.000 1.155 404 Y CA 1.617 59.706 58.100 -0.018 0.000 1.164 404 Y CB -0.798 37.644 38.460 -0.030 0.000 0.978 404 Y HN 0.208 nan 8.280 nan 0.000 0.513 405 E N 0.305 120.540 120.200 0.058 0.000 2.072 405 E HA -0.128 4.214 4.350 -0.014 0.000 0.191 405 E C 2.099 178.602 176.600 -0.162 0.000 0.985 405 E CA 1.147 57.430 56.400 -0.195 0.000 0.801 405 E CB -0.531 28.864 29.700 -0.509 0.000 0.750 405 E HN 0.465 nan 8.360 nan 0.000 0.452 406 I N 0.755 121.345 120.570 0.034 0.000 2.163 406 I HA -0.309 3.853 4.170 -0.014 0.000 0.243 406 I C 2.287 178.407 176.117 0.005 0.000 1.085 406 I CA 1.465 62.741 61.300 -0.041 0.000 1.347 406 I CB -0.422 37.562 38.000 -0.027 0.000 1.044 406 I HN 0.220 nan 8.210 nan 0.000 0.408 407 N N 0.732 119.484 118.700 0.085 0.000 2.084 407 N HA -0.272 4.459 4.740 -0.014 0.000 0.190 407 N C 1.869 177.465 175.510 0.144 0.000 1.030 407 N CA 1.643 54.794 53.050 0.168 0.000 0.849 407 N CB -0.177 38.426 38.487 0.193 0.000 1.012 407 N HN 0.321 nan 8.380 nan 0.000 0.423 408 Q N 0.002 119.830 119.800 0.047 0.000 2.061 408 Q HA -0.132 4.199 4.340 -0.014 0.000 0.204 408 Q C 2.057 178.040 176.000 -0.029 0.000 0.984 408 Q CA 1.515 57.310 55.803 -0.014 0.000 0.846 408 Q CB -0.020 28.669 28.738 -0.081 0.000 0.902 408 Q HN 0.358 nan 8.270 nan 0.000 0.421 409 R N -0.735 119.725 120.500 -0.067 0.000 2.092 409 R HA -0.123 4.208 4.340 -0.014 0.000 0.231 409 R C 2.136 178.460 176.300 0.040 0.000 1.119 409 R CA 1.353 57.412 56.100 -0.067 0.000 0.970 409 R CB -0.344 29.862 30.300 -0.155 0.000 0.864 409 R HN 0.291 nan 8.270 nan 0.000 0.440 410 F N 1.250 121.174 119.950 -0.043 0.000 2.113 410 F HA -0.079 4.439 4.527 -0.014 0.000 0.297 410 F C 1.770 177.595 175.800 0.041 0.000 1.103 410 F CA 1.308 59.333 58.000 0.041 0.000 1.248 410 F CB -0.122 38.934 39.000 0.094 0.000 0.999 410 F HN -0.113 nan 8.300 nan 0.000 0.475 411 L N -0.011 121.222 121.223 0.015 0.000 2.201 411 L HA -0.208 4.123 4.340 -0.014 0.000 0.212 411 L C 1.948 178.754 176.870 -0.107 0.000 1.105 411 L CA 1.384 56.173 54.840 -0.084 0.000 0.775 411 L CB -0.851 41.222 42.059 0.023 0.000 0.913 411 L HN 0.252 nan 8.230 nan 0.000 0.440 412 N N -0.187 118.467 118.700 -0.076 0.000 2.166 412 N HA -0.156 4.575 4.740 -0.014 0.000 0.186 412 N C 1.909 177.365 175.510 -0.089 0.000 1.019 412 N CA 0.748 53.755 53.050 -0.071 0.000 0.856 412 N CB 0.019 38.471 38.487 -0.058 0.000 0.993 412 N HN 0.283 nan 8.380 nan 0.000 0.426 413 R N 0.567 120.995 120.500 -0.120 0.000 2.075 413 R HA -0.044 4.287 4.340 -0.014 0.000 0.232 413 R C 2.189 178.387 176.300 -0.170 0.000 1.126 413 R CA 0.857 56.879 56.100 -0.130 0.000 0.963 413 R CB -0.322 29.906 30.300 -0.119 0.000 0.858 413 R HN 0.085 nan 8.270 nan 0.000 0.435 414 V N 0.992 120.749 119.914 -0.262 0.000 2.295 414 V HA -0.246 3.866 4.120 -0.014 0.000 0.246 414 V C 2.446 178.536 176.094 -0.007 0.000 1.049 414 V CA 2.002 64.215 62.300 -0.146 0.000 1.024 414 V CB -0.737 30.929 31.823 -0.262 0.000 0.648 414 V HN 0.403 nan 8.190 nan 0.000 0.447 415 A N -0.018 122.771 122.820 -0.053 0.000 1.933 415 A HA -0.103 4.209 4.320 -0.014 0.000 0.218 415 A C 2.387 179.950 177.584 -0.035 0.000 1.175 415 A CA 2.072 54.095 52.037 -0.024 0.000 0.628 415 A CB -0.705 18.273 19.000 -0.037 0.000 0.814 415 A HN 0.579 nan 8.150 nan 0.000 0.444 416 A N -0.525 122.255 122.820 -0.066 0.000 1.968 416 A HA 0.278 4.589 4.320 -0.014 0.000 0.217 416 A C 2.384 179.884 177.584 -0.141 0.000 1.169 416 A CA 1.769 53.756 52.037 -0.084 0.000 0.638 416 A CB -0.683 18.271 19.000 -0.077 0.000 0.812 416 A HN 0.955 nan 8.150 nan 0.000 0.446 417 A N -1.556 121.142 122.820 -0.204 0.000 1.975 417 A HA 0.370 4.682 4.320 -0.014 0.000 0.215 417 A C 0.474 177.629 177.584 -0.714 0.000 1.170 417 A CA 0.522 52.274 52.037 -0.476 0.000 0.656 417 A CB -0.154 18.498 19.000 -0.580 0.000 0.821 417 A HN 0.421 nan 8.150 nan 0.000 0.449 418 F N 0.140 120.042 119.950 -0.080 0.000 2.531 418 F HA 0.351 4.869 4.527 -0.014 0.000 0.333 418 F C -2.794 172.969 175.800 -0.062 0.000 1.292 418 F CA -2.787 55.172 58.000 -0.070 0.000 1.184 418 F CB 0.836 39.787 39.000 -0.082 0.000 1.426 418 F HN -0.059 nan 8.300 nan 0.000 0.559 419 P HA 0.218 nan 4.420 nan 0.000 0.267 419 P C 0.995 178.314 177.300 0.031 0.000 1.205 419 P CA 0.868 63.979 63.100 0.018 0.000 0.765 419 P CB 1.005 32.697 31.700 -0.013 0.000 0.828 420 G N 2.522 111.334 108.800 0.019 0.000 2.199 420 G HA2 -0.240 3.712 3.960 -0.014 0.000 0.254 420 G HA3 -0.240 3.712 3.960 -0.014 0.000 0.254 420 G C 0.327 175.236 174.900 0.015 0.000 0.982 420 G CA 0.007 45.115 45.100 0.013 0.000 0.632 420 G HN 0.602 nan 8.290 nan 0.000 0.529 421 D N 1.493 121.910 120.400 0.029 0.000 2.551 421 D HA 0.378 5.009 4.640 -0.014 0.000 0.223 421 D C 2.075 178.365 176.300 -0.016 0.000 1.144 421 D CA 0.412 54.416 54.000 0.007 0.000 1.025 421 D CB 0.390 41.196 40.800 0.011 0.000 1.085 421 D HN 0.616 nan 8.370 nan 0.000 0.506 422 V N 0.438 120.344 119.914 -0.014 0.000 2.667 422 V HA -0.105 4.007 4.120 -0.014 0.000 0.252 422 V C 1.515 177.597 176.094 -0.020 0.000 1.065 422 V CA 1.030 63.322 62.300 -0.014 0.000 1.083 422 V CB -0.131 31.687 31.823 -0.008 0.000 0.692 422 V HN 0.193 nan 8.190 nan 0.000 0.468 423 D N 0.821 121.205 120.400 -0.027 0.000 2.117 423 D HA -0.173 4.459 4.640 -0.014 0.000 0.198 423 D C 2.270 178.541 176.300 -0.049 0.000 0.982 423 D CA 1.834 55.817 54.000 -0.028 0.000 0.828 423 D CB -0.178 40.603 40.800 -0.030 0.000 0.967 423 D HN 0.484 nan 8.370 nan 0.000 0.464 424 R N 0.682 121.128 120.500 -0.090 0.000 2.091 424 R HA -0.098 4.234 4.340 -0.014 0.000 0.238 424 R C 2.594 178.824 176.300 -0.117 0.000 1.136 424 R CA 0.736 56.744 56.100 -0.152 0.000 0.959 424 R CB -0.296 29.851 30.300 -0.255 0.000 0.856 424 R HN 0.147 nan 8.270 nan 0.000 0.437 425 L N 0.217 121.397 121.223 -0.072 0.000 2.013 425 L HA -0.244 4.088 4.340 -0.014 0.000 0.212 425 L C 2.925 179.799 176.870 0.007 0.000 1.073 425 L CA 1.813 56.630 54.840 -0.037 0.000 0.753 425 L CB -0.599 41.448 42.059 -0.020 0.000 0.890 425 L HN 0.308 nan 8.230 nan 0.000 0.432 426 R N 0.387 120.896 120.500 0.014 0.000 2.081 426 R HA -0.155 4.176 4.340 -0.014 0.000 0.235 426 R C 2.451 178.800 176.300 0.082 0.000 1.131 426 R CA 1.389 57.518 56.100 0.048 0.000 0.960 426 R CB -0.072 30.250 30.300 0.035 0.000 0.856 426 R HN 0.322 nan 8.270 nan 0.000 0.436 427 R N -0.376 120.154 120.500 0.051 0.000 2.115 427 R HA -0.031 4.301 4.340 -0.014 0.000 0.230 427 R C 2.126 178.513 176.300 0.144 0.000 1.111 427 R CA 1.535 57.692 56.100 0.094 0.000 0.976 427 R CB -0.076 30.239 30.300 0.025 0.000 0.870 427 R HN 0.319 nan 8.270 nan 0.000 0.445 428 M N 0.081 119.685 119.600 0.006 0.000 2.509 428 M HA 0.051 4.523 4.480 -0.014 0.000 0.250 428 M C 0.822 177.272 176.300 0.249 0.000 1.132 428 M CA -0.021 55.221 55.300 -0.097 0.000 1.080 428 M CB 0.494 32.880 32.600 -0.358 0.000 1.408 428 M HN -0.085 nan 8.290 nan 0.000 0.484 429 S N 1.179 117.040 115.700 0.268 0.000 2.558 429 S HA 0.055 4.516 4.470 -0.014 0.000 0.288 429 S C 1.142 175.997 174.600 0.424 0.000 1.318 429 S CA -0.231 58.153 58.200 0.307 0.000 1.056 429 S CB 0.545 63.869 63.200 0.206 0.000 0.853 429 S HN 0.371 nan 8.310 nan 0.000 0.505 430 L N 4.210 125.635 121.223 0.337 0.000 2.291 430 L HA 0.091 4.422 4.340 -0.014 0.000 0.214 430 L C 0.302 177.284 176.870 0.186 0.000 1.120 430 L CA 0.313 55.311 54.840 0.265 0.000 0.799 430 L CB -0.413 41.742 42.059 0.161 0.000 0.925 430 L HN 0.407 nan 8.230 nan 0.000 0.446 431 V N 0.954 120.989 119.914 0.203 0.000 2.364 431 V HA 0.161 4.273 4.120 -0.014 0.000 0.272 431 V C 0.152 176.336 176.094 0.149 0.000 1.036 431 V CA -0.597 61.810 62.300 0.179 0.000 0.880 431 V CB 1.226 33.191 31.823 0.237 0.000 0.991 431 V HN 0.174 nan 8.190 nan 0.000 0.460 432 E N 3.797 124.063 120.200 0.111 0.000 2.227 432 E HA 0.317 4.658 4.350 -0.014 0.000 0.282 432 E C -0.391 176.261 176.600 0.086 0.000 1.015 432 E CA -0.574 55.880 56.400 0.091 0.000 0.823 432 E CB 1.405 31.136 29.700 0.053 0.000 1.081 432 E HN 0.569 nan 8.360 nan 0.000 0.396 433 E N 0.972 121.219 120.200 0.078 0.000 2.314 433 E HA 0.572 4.913 4.350 -0.014 0.000 0.262 433 E C 0.372 177.007 176.600 0.059 0.000 1.093 433 E CA -0.257 56.184 56.400 0.067 0.000 0.908 433 E CB 1.594 31.328 29.700 0.056 0.000 1.091 433 E HN 0.750 nan 8.360 nan 0.000 0.425 434 G N -0.722 108.111 108.800 0.056 0.000 2.340 434 G HA2 0.168 4.119 3.960 -0.014 0.000 0.282 434 G HA3 0.168 4.119 3.960 -0.014 0.000 0.282 434 G C 0.425 175.357 174.900 0.054 0.000 1.312 434 G CA 0.195 45.326 45.100 0.050 0.000 0.942 434 G HN 0.454 nan 8.290 nan 0.000 0.495 435 A N -0.970 121.880 122.820 0.050 0.000 1.884 435 A HA 0.283 4.594 4.320 -0.014 0.000 0.219 435 A C 1.707 179.333 177.584 0.071 0.000 1.197 435 A CA 3.585 55.653 52.037 0.052 0.000 0.637 435 A CB -1.180 17.848 19.000 0.045 0.000 0.827 435 A HN 2.324 nan 8.150 nan 0.000 0.450 436 V N -2.663 117.303 119.914 0.087 0.000 2.398 436 V HA 0.507 4.619 4.120 -0.014 0.000 0.286 436 V C -0.452 175.712 176.094 0.116 0.000 1.026 436 V CA -1.402 60.975 62.300 0.127 0.000 0.868 436 V CB 1.337 33.261 31.823 0.169 0.000 0.982 436 V HN 0.296 nan 8.190 nan 0.000 0.443 437 K N 4.345 124.823 120.400 0.130 0.000 2.350 437 K HA 0.500 4.812 4.320 -0.014 0.000 0.279 437 K C -0.360 176.307 176.600 0.112 0.000 1.027 437 K CA -0.213 56.147 56.287 0.120 0.000 0.969 437 K CB 1.046 33.630 32.500 0.141 0.000 0.954 437 K HN 0.731 nan 8.250 nan 0.000 0.474 438 R N 1.621 122.176 120.500 0.092 0.000 2.854 438 R HA 0.468 4.799 4.340 -0.014 0.000 0.271 438 R C -0.519 175.819 176.300 0.064 0.000 0.994 438 R CA -1.013 55.130 56.100 0.071 0.000 0.945 438 R CB 1.341 31.664 30.300 0.039 0.000 1.194 438 R HN 0.384 nan 8.270 nan 0.000 0.476 439 I N 2.086 122.690 120.570 0.058 0.000 2.321 439 I HA 0.138 4.300 4.170 -0.014 0.000 0.291 439 I C -0.053 176.051 176.117 -0.022 0.000 0.998 439 I CA -0.684 60.638 61.300 0.037 0.000 1.227 439 I CB 0.981 39.001 38.000 0.033 0.000 1.368 439 I HN 0.494 nan 8.210 nan 0.000 0.466 440 N N 7.158 125.816 118.700 -0.070 0.000 2.402 440 N HA 0.092 4.824 4.740 -0.014 0.000 0.252 440 N C 0.775 176.188 175.510 -0.160 0.000 1.118 440 N CA -0.303 52.623 53.050 -0.205 0.000 0.945 440 N CB 0.988 39.205 38.487 -0.450 0.000 1.147 440 N HN 0.376 nan 8.380 nan 0.000 0.495 441 M N 2.529 122.032 119.600 -0.161 0.000 2.319 441 M HA -0.032 4.440 4.480 -0.014 0.000 0.265 441 M C 1.927 178.084 176.300 -0.239 0.000 1.068 441 M CA 0.638 55.861 55.300 -0.129 0.000 1.118 441 M CB -1.560 31.008 32.600 -0.054 0.000 1.395 441 M HN 0.611 nan 8.290 nan 0.000 0.435 442 A N -0.332 122.346 122.820 -0.237 0.000 1.902 442 A HA -0.178 4.133 4.320 -0.014 0.000 0.217 442 A C 2.007 179.365 177.584 -0.376 0.000 1.181 442 A CA 1.525 53.389 52.037 -0.289 0.000 0.623 442 A CB -1.127 17.926 19.000 0.087 0.000 0.818 442 A HN 0.590 nan 8.150 nan 0.000 0.443 443 H N -1.072 117.780 119.070 -0.363 0.000 2.357 443 H HA -0.036 4.512 4.556 -0.014 0.000 0.301 443 H C 2.146 177.250 175.328 -0.374 0.000 1.082 443 H CA 0.969 56.768 56.048 -0.414 0.000 1.342 443 H CB -0.087 29.648 29.762 -0.046 0.000 1.389 443 H HN 0.371 nan 8.280 nan 0.000 0.511 444 L N 0.418 121.565 121.223 -0.128 0.000 2.013 444 L HA -0.258 4.074 4.340 -0.014 0.000 0.212 444 L C 2.359 179.094 176.870 -0.226 0.000 1.073 444 L CA 1.397 56.157 54.840 -0.134 0.000 0.753 444 L CB -0.400 41.607 42.059 -0.087 0.000 0.890 444 L HN 0.454 nan 8.230 nan 0.000 0.432 445 C N -0.081 118.981 119.300 -0.397 0.000 2.429 445 C HA -0.177 4.274 4.460 -0.014 0.000 0.277 445 C C 2.643 177.372 174.990 -0.435 0.000 1.262 445 C CA 0.656 59.353 59.018 -0.535 0.000 1.733 445 C CB -0.759 26.257 27.740 -1.207 0.000 2.010 445 C HN 0.513 nan 8.230 nan 0.000 0.483 446 I N 1.422 121.684 120.570 -0.514 0.000 2.179 446 I HA -0.205 3.957 4.170 -0.014 0.000 0.242 446 I C 2.765 178.725 176.117 -0.262 0.000 1.088 446 I CA 1.661 62.704 61.300 -0.428 0.000 1.357 446 I CB -0.603 36.984 38.000 -0.688 0.000 1.051 446 I HN 0.267 nan 8.210 nan 0.000 0.409 447 A N 0.614 123.245 122.820 -0.315 0.000 1.908 447 A HA -0.140 4.172 4.320 -0.014 0.000 0.218 447 A C 2.225 179.859 177.584 0.085 0.000 1.181 447 A CA 2.020 53.918 52.037 -0.232 0.000 0.627 447 A CB -1.256 17.415 19.000 -0.549 0.000 0.818 447 A HN 0.491 nan 8.150 nan 0.000 0.445 448 G N -1.261 107.525 108.800 -0.023 0.000 3.284 448 G HA2 0.419 4.370 3.960 -0.014 0.000 0.236 448 G HA3 0.419 4.370 3.960 -0.014 0.000 0.236 448 G C 0.101 174.834 174.900 -0.278 0.000 1.158 448 G CA 0.523 45.480 45.100 -0.239 0.000 0.774 448 G HN 0.360 nan 8.290 nan 0.000 0.545 449 S N -0.366 115.227 115.700 -0.178 0.000 2.536 449 S HA 0.331 4.792 4.470 -0.014 0.000 0.298 449 S C 0.736 175.279 174.600 -0.096 0.000 1.083 449 S CA -0.714 57.407 58.200 -0.133 0.000 0.995 449 S CB 1.308 64.436 63.200 -0.120 0.000 1.058 449 S HN 0.499 nan 8.310 nan 0.000 0.488 450 H N -0.111 118.921 119.070 -0.064 0.000 2.551 450 H HA 0.485 5.032 4.556 -0.014 0.000 0.266 450 H C 0.161 175.476 175.328 -0.022 0.000 0.964 450 H CA 0.278 56.317 56.048 -0.016 0.000 1.180 450 H CB 0.149 29.916 29.762 0.008 0.000 1.408 450 H HN 0.511 nan 8.280 nan 0.000 0.563 451 A N 1.043 123.544 122.820 -0.533 0.000 2.455 451 A HA 0.567 4.879 4.320 -0.014 0.000 0.300 451 A C -1.383 175.995 177.584 -0.344 0.000 1.040 451 A CA -0.584 51.209 52.037 -0.407 0.000 0.697 451 A CB 2.333 21.072 19.000 -0.436 0.000 1.265 451 A HN 0.098 nan 8.150 nan 0.000 0.407 452 V N 4.185 123.860 119.914 -0.397 0.000 2.525 452 V HA 0.496 4.607 4.120 -0.014 0.000 0.299 452 V C -0.810 175.099 176.094 -0.309 0.000 1.034 452 V CA -0.791 61.266 62.300 -0.405 0.000 0.863 452 V CB 1.767 33.183 31.823 -0.679 0.000 0.999 452 V HN 1.012 nan 8.190 nan 0.000 0.423 453 N N 3.258 121.797 118.700 -0.268 0.000 2.240 453 N HA 0.618 5.349 4.740 -0.014 0.000 0.302 453 N C -0.204 175.206 175.510 -0.166 0.000 1.106 453 N CA -0.364 52.572 53.050 -0.190 0.000 0.778 453 N CB 2.916 41.263 38.487 -0.234 0.000 1.431 453 N HN 0.620 nan 8.380 nan 0.000 0.479 454 G N -0.715 108.025 108.800 -0.100 0.000 2.535 454 G HA2 0.420 4.371 3.960 -0.014 0.000 0.303 454 G HA3 0.420 4.371 3.960 -0.014 0.000 0.303 454 G C 0.746 175.707 174.900 0.103 0.000 1.237 454 G CA -0.443 44.654 45.100 -0.004 0.000 0.986 454 G HN 0.627 nan 8.290 nan 0.000 0.494 455 V N -3.931 116.163 119.914 0.299 0.000 3.380 455 V HA 0.701 4.812 4.120 -0.014 0.000 0.307 455 V C 0.536 176.711 176.094 0.135 0.000 1.434 455 V CA 0.400 62.785 62.300 0.141 0.000 1.075 455 V CB -0.686 31.171 31.823 0.056 0.000 0.954 455 V HN 1.353 nan 8.190 nan 0.000 0.444 456 A N -0.006 122.905 122.820 0.152 0.000 2.605 456 A HA 0.641 4.952 4.320 -0.014 0.000 0.294 456 A C 0.673 178.308 177.584 0.084 0.000 1.062 456 A CA -0.101 52.002 52.037 0.110 0.000 0.682 456 A CB 1.223 20.276 19.000 0.088 0.000 1.278 456 A HN 0.017 nan 8.150 nan 0.000 0.410 457 R N 0.842 121.371 120.500 0.048 0.000 2.083 457 R HA -0.147 4.185 4.340 -0.014 0.000 0.237 457 R C 1.629 177.925 176.300 -0.006 0.000 1.137 457 R CA 2.247 58.352 56.100 0.008 0.000 0.951 457 R CB -0.225 30.075 30.300 -0.000 0.000 0.851 457 R HN 0.821 nan 8.270 nan 0.000 0.434 458 I N 0.297 120.873 120.570 0.010 0.000 2.286 458 I HA -0.293 3.868 4.170 -0.014 0.000 0.248 458 I C 2.335 178.459 176.117 0.011 0.000 1.115 458 I CA 1.783 63.081 61.300 -0.004 0.000 1.392 458 I CB -0.202 37.795 38.000 -0.005 0.000 1.065 458 I HN 0.339 nan 8.210 nan 0.000 0.418 459 H N 0.194 119.232 119.070 -0.053 0.000 2.326 459 H HA -0.108 4.439 4.556 -0.015 0.000 0.301 459 H C 2.282 177.570 175.328 -0.068 0.000 1.081 459 H CA 2.166 58.176 56.048 -0.063 0.000 1.334 459 H CB -0.286 29.445 29.762 -0.052 0.000 1.385 459 H HN 0.223 nan 8.280 nan 0.000 0.504 460 S N 0.434 116.004 115.700 -0.215 0.000 2.382 460 S HA -0.134 4.327 4.470 -0.014 0.000 0.228 460 S C 1.894 176.366 174.600 -0.214 0.000 1.027 460 S CA 1.264 59.320 58.200 -0.240 0.000 0.991 460 S CB -0.086 63.048 63.200 -0.109 0.000 0.823 460 S HN 0.486 nan 8.310 nan 0.000 0.469 461 E N 1.159 121.258 120.200 -0.169 0.000 2.072 461 E HA -0.000 4.341 4.350 -0.014 0.000 0.191 461 E C 2.046 178.528 176.600 -0.198 0.000 0.985 461 E CA 0.639 56.932 56.400 -0.180 0.000 0.801 461 E CB -0.396 29.231 29.700 -0.121 0.000 0.750 461 E HN 0.503 nan 8.360 nan 0.000 0.452 462 I N 1.053 121.521 120.570 -0.170 0.000 2.264 462 I HA -0.285 3.876 4.170 -0.014 0.000 0.248 462 I C 2.434 178.417 176.117 -0.224 0.000 1.111 462 I CA 0.836 62.040 61.300 -0.161 0.000 1.382 462 I CB -0.253 37.687 38.000 -0.101 0.000 1.060 462 I HN 0.070 nan 8.210 nan 0.000 0.418 463 L N 0.413 121.455 121.223 -0.301 0.000 2.042 463 L HA -0.245 4.087 4.340 -0.014 0.000 0.210 463 L C 2.488 179.219 176.870 -0.232 0.000 1.076 463 L CA 1.658 56.313 54.840 -0.307 0.000 0.749 463 L CB -0.582 41.349 42.059 -0.213 0.000 0.893 463 L HN 0.228 nan 8.230 nan 0.000 0.432 464 K N -0.126 120.077 120.400 -0.327 0.000 2.217 464 K HA -0.102 4.209 4.320 -0.014 0.000 0.202 464 K C 1.981 178.383 176.600 -0.330 0.000 1.051 464 K CA 0.855 56.824 56.287 -0.530 0.000 0.952 464 K CB 0.086 32.017 32.500 -0.948 0.000 0.736 464 K HN 0.304 nan 8.250 nan 0.000 0.453 465 K N -0.020 120.241 120.400 -0.231 0.000 2.284 465 K HA -0.016 4.295 4.320 -0.014 0.000 0.198 465 K C 1.909 178.455 176.600 -0.091 0.000 1.048 465 K CA 1.296 57.501 56.287 -0.137 0.000 0.987 465 K CB 0.481 32.909 32.500 -0.120 0.000 0.800 465 K HN 0.233 nan 8.250 nan 0.000 0.486 466 T N -1.107 113.382 114.554 -0.108 0.000 3.330 466 T HA 0.067 4.408 4.350 -0.014 0.000 0.185 466 T C 1.901 176.566 174.700 -0.060 0.000 0.874 466 T CA -0.046 62.006 62.100 -0.079 0.000 1.268 466 T CB -0.711 68.103 68.868 -0.091 0.000 1.866 466 T HN 0.118 nan 8.240 nan 0.000 0.395 467 I N -1.152 119.328 120.570 -0.150 0.000 2.493 467 I HA 0.273 4.435 4.170 -0.014 0.000 0.254 467 I C 1.385 177.570 176.117 0.114 0.000 1.160 467 I CA 1.207 62.429 61.300 -0.129 0.000 1.445 467 I CB -0.548 37.257 38.000 -0.326 0.000 1.086 467 I HN 0.262 nan 8.210 nan 0.000 0.433 468 F N 0.911 120.934 119.950 0.121 0.000 2.708 468 F HA 0.327 4.845 4.527 -0.014 0.000 0.300 468 F C 2.030 177.906 175.800 0.127 0.000 1.118 468 F CA -0.658 57.479 58.000 0.228 0.000 1.307 468 F CB 0.179 39.295 39.000 0.193 0.000 0.986 468 F HN -0.066 nan 8.300 nan 0.000 0.522 469 K N 1.103 121.620 120.400 0.194 0.000 2.044 469 K HA -0.213 4.098 4.320 -0.014 0.000 0.210 469 K C 1.329 177.978 176.600 0.082 0.000 1.049 469 K CA 2.190 58.528 56.287 0.086 0.000 0.927 469 K CB -0.009 32.508 32.500 0.029 0.000 0.713 469 K HN 0.134 nan 8.250 nan 0.000 0.443 470 D N -0.087 120.334 120.400 0.036 0.000 2.123 470 D HA -0.162 4.469 4.640 -0.014 0.000 0.196 470 D C 1.807 178.008 176.300 -0.165 0.000 0.992 470 D CA 1.270 55.157 54.000 -0.188 0.000 0.833 470 D CB -0.304 40.282 40.800 -0.357 0.000 0.954 470 D HN 0.252 nan 8.370 nan 0.000 0.455 471 F N -0.247 119.767 119.950 0.106 0.000 2.206 471 F HA -0.126 4.392 4.527 -0.014 0.000 0.298 471 F C 2.348 178.286 175.800 0.231 0.000 1.090 471 F CA 0.471 58.616 58.000 0.242 0.000 1.323 471 F CB -0.694 38.521 39.000 0.359 0.000 1.028 471 F HN -0.041 nan 8.300 nan 0.000 0.492 472 Y N 1.368 121.623 120.300 -0.075 0.000 2.181 472 Y HA -0.213 4.328 4.550 -0.014 0.000 0.288 472 Y C 2.149 178.038 175.900 -0.019 0.000 1.146 472 Y CA 1.684 59.574 58.100 -0.350 0.000 1.164 472 Y CB -0.617 37.454 38.460 -0.648 0.000 0.982 472 Y HN 0.127 nan 8.280 nan 0.000 0.515 473 E N -0.413 119.735 120.200 -0.087 0.000 2.106 473 E HA -0.198 4.143 4.350 -0.014 0.000 0.192 473 E C 2.002 178.670 176.600 0.113 0.000 0.984 473 E CA 1.212 57.579 56.400 -0.055 0.000 0.806 473 E CB -0.277 29.425 29.700 0.004 0.000 0.750 473 E HN 0.439 nan 8.360 nan 0.000 0.458 474 L N 0.932 122.261 121.223 0.176 0.000 2.044 474 L HA -0.058 4.273 4.340 -0.014 0.000 0.205 474 L C 0.176 177.140 176.870 0.156 0.000 1.075 474 L CA 1.697 56.680 54.840 0.239 0.000 0.747 474 L CB 0.340 42.531 42.059 0.220 0.000 0.903 474 L HN -0.092 nan 8.230 nan 0.000 0.435 475 E N -0.136 120.150 120.200 0.144 0.000 3.386 475 E HA 0.186 4.528 4.350 -0.014 0.000 0.236 475 E C -2.016 174.522 176.600 -0.102 0.000 1.227 475 E CA -1.257 55.134 56.400 -0.016 0.000 0.970 475 E CB 0.797 30.472 29.700 -0.042 0.000 1.343 475 E HN 0.203 nan 8.360 nan 0.000 0.397 476 P HA -0.239 nan 4.420 nan 0.000 0.220 476 P C 1.202 178.597 177.300 0.157 0.000 1.148 476 P CA 1.337 64.347 63.100 -0.151 0.000 0.803 476 P CB -0.037 31.450 31.700 -0.354 0.000 0.782 477 H N 0.348 119.520 119.070 0.169 0.000 2.456 477 H HA 0.033 4.580 4.556 -0.014 0.000 0.296 477 H C 1.504 176.920 175.328 0.147 0.000 1.079 477 H CA 0.887 57.023 56.048 0.147 0.000 1.322 477 H CB -0.760 29.061 29.762 0.098 0.000 1.388 477 H HN 0.152 nan 8.280 nan 0.000 0.538 478 K N 0.285 120.569 120.400 -0.194 0.000 2.211 478 K HA 0.013 4.324 4.320 -0.014 0.000 0.203 478 K C -0.109 176.346 176.600 -0.242 0.000 1.050 478 K CA 0.360 56.518 56.287 -0.215 0.000 0.945 478 K CB 0.048 32.292 32.500 -0.426 0.000 0.732 478 K HN 0.106 nan 8.250 nan 0.000 0.451 479 F N 1.686 121.665 119.950 0.049 0.000 2.420 479 F HA 0.179 4.698 4.527 -0.015 0.000 0.352 479 F C 0.451 176.260 175.800 0.015 0.000 1.108 479 F CA -0.183 57.853 58.000 0.059 0.000 1.162 479 F CB 0.976 40.075 39.000 0.166 0.000 1.118 479 F HN -0.108 nan 8.300 nan 0.000 0.510 480 Q N 1.824 121.661 119.800 0.060 0.000 2.544 480 Q HA 0.334 4.665 4.340 -0.014 0.000 0.291 480 Q C -1.172 174.791 176.000 -0.061 0.000 1.068 480 Q CA -1.231 54.557 55.803 -0.024 0.000 0.785 480 Q CB 3.161 31.830 28.738 -0.116 0.000 1.481 480 Q HN 0.612 nan 8.270 nan 0.000 0.430 481 N N 0.860 119.507 118.700 -0.088 0.000 2.362 481 N HA 0.263 4.994 4.740 -0.014 0.000 0.298 481 N C -1.396 174.015 175.510 -0.163 0.000 1.048 481 N CA -0.375 52.617 53.050 -0.097 0.000 0.858 481 N CB 0.937 39.389 38.487 -0.058 0.000 1.218 481 N HN 0.278 nan 8.380 nan 0.000 0.488 482 K N 2.788 123.090 120.400 -0.163 0.000 2.675 482 K HA 0.184 4.496 4.320 -0.014 0.000 0.224 482 K C -0.922 175.687 176.600 0.015 0.000 1.003 482 K CA -0.501 55.667 56.287 -0.199 0.000 1.034 482 K CB 1.280 33.423 32.500 -0.594 0.000 1.218 482 K HN 0.530 nan 8.250 nan 0.000 0.507 483 T N 2.198 116.780 114.554 0.046 0.000 2.902 483 T HA 0.046 4.387 4.350 -0.014 0.000 0.301 483 T C 0.780 175.614 174.700 0.224 0.000 1.012 483 T CA 0.344 62.524 62.100 0.134 0.000 1.151 483 T CB 0.215 69.165 68.868 0.136 0.000 0.946 483 T HN 0.365 nan 8.240 nan 0.000 0.542 484 N N 0.723 119.575 118.700 0.255 0.000 2.307 484 N HA 0.370 5.101 4.740 -0.014 0.000 0.230 484 N C 0.500 176.203 175.510 0.323 0.000 1.297 484 N CA -0.101 53.133 53.050 0.308 0.000 0.884 484 N CB 0.373 38.973 38.487 0.188 0.000 1.115 484 N HN 0.756 nan 8.380 nan 0.000 0.436 485 G N -0.608 108.393 108.800 0.336 0.000 2.687 485 G HA2 0.628 4.579 3.960 -0.014 0.000 0.291 485 G HA3 0.628 4.579 3.960 -0.014 0.000 0.291 485 G C -1.365 173.668 174.900 0.221 0.000 1.420 485 G CA -0.745 44.533 45.100 0.297 0.000 0.796 485 G HN 0.597 nan 8.290 nan 0.000 0.485 486 I N -2.373 118.312 120.570 0.191 0.000 2.828 486 I HA 0.732 4.894 4.170 -0.014 0.000 0.302 486 I C -0.152 176.125 176.117 0.267 0.000 1.101 486 I CA -0.972 60.432 61.300 0.173 0.000 1.031 486 I CB 2.463 40.443 38.000 -0.035 0.000 1.231 486 I HN 0.472 nan 8.210 nan 0.000 0.427 487 T N 4.234 119.005 114.554 0.363 0.000 2.779 487 T HA 0.352 4.693 4.350 -0.014 0.000 0.296 487 T C -1.455 173.370 174.700 0.208 0.000 0.938 487 T CA -1.576 60.661 62.100 0.227 0.000 1.119 487 T CB 0.701 69.648 68.868 0.132 0.000 0.891 487 T HN 0.628 nan 8.240 nan 0.000 0.526 488 P HA 0.063 nan 4.420 nan 0.000 0.237 488 P C 1.051 178.321 177.300 -0.049 0.000 1.178 488 P CA 0.263 63.404 63.100 0.068 0.000 0.766 488 P CB 0.340 32.064 31.700 0.040 0.000 0.876 489 R N 0.422 120.850 120.500 -0.120 0.000 2.056 489 R HA 0.018 4.349 4.340 -0.014 0.000 0.227 489 R C 2.668 178.852 176.300 -0.193 0.000 1.149 489 R CA 1.499 57.487 56.100 -0.187 0.000 0.937 489 R CB -1.194 29.004 30.300 -0.170 0.000 0.835 489 R HN 0.037 nan 8.270 nan 0.000 0.430 490 R N -0.824 119.503 120.500 -0.289 0.000 2.081 490 R HA -0.131 4.201 4.340 -0.014 0.000 0.235 490 R C 1.052 177.004 176.300 -0.580 0.000 1.131 490 R CA 1.757 57.520 56.100 -0.561 0.000 0.960 490 R CB -0.167 29.585 30.300 -0.912 0.000 0.856 490 R HN 0.301 nan 8.270 nan 0.000 0.436 491 W N -0.552 120.703 121.300 -0.074 0.000 3.353 491 W HA 0.177 4.828 4.660 -0.015 0.000 0.304 491 W C 0.938 177.425 176.519 -0.054 0.000 1.273 491 W CA -0.716 56.583 57.345 -0.077 0.000 1.773 491 W CB 0.466 29.883 29.460 -0.070 0.000 1.095 491 W HN 0.216 nan 8.180 nan 0.000 0.676 492 L N -2.161 119.119 121.223 0.094 0.000 2.681 492 L HA 0.191 4.522 4.340 -0.014 0.000 0.163 492 L C 1.801 178.686 176.870 0.025 0.000 1.188 492 L CA 0.785 55.674 54.840 0.081 0.000 0.944 492 L CB -0.841 41.295 42.059 0.129 0.000 1.835 492 L HN -0.249 nan 8.230 nan 0.000 0.510 493 V N 1.065 120.971 119.914 -0.013 0.000 2.287 493 V HA -0.279 3.833 4.120 -0.014 0.000 0.248 493 V C 2.437 178.502 176.094 -0.049 0.000 1.053 493 V CA 2.491 64.773 62.300 -0.030 0.000 1.027 493 V CB -0.680 31.094 31.823 -0.082 0.000 0.646 493 V HN 0.503 nan 8.190 nan 0.000 0.447 494 L N 0.431 121.595 121.223 -0.098 0.000 2.023 494 L HA -0.175 4.156 4.340 -0.014 0.000 0.205 494 L C 2.499 179.301 176.870 -0.112 0.000 1.073 494 L CA 2.358 57.123 54.840 -0.125 0.000 0.745 494 L CB -0.253 41.682 42.059 -0.207 0.000 0.900 494 L HN 0.652 nan 8.230 nan 0.000 0.435 495 C N -1.780 117.447 119.300 -0.122 0.000 2.563 495 C HA 0.197 4.648 4.460 -0.014 0.000 0.268 495 C C 1.188 176.156 174.990 -0.037 0.000 1.365 495 C CA -0.304 58.658 59.018 -0.092 0.000 1.754 495 C CB -0.997 26.686 27.740 -0.096 0.000 1.932 495 C HN 0.578 nan 8.230 nan 0.000 0.536 496 N N 1.217 119.908 118.700 -0.016 0.000 2.733 496 N HA 0.294 5.026 4.740 -0.014 0.000 0.271 496 N C -1.777 173.741 175.510 0.013 0.000 1.720 496 N CA -1.645 51.408 53.050 0.005 0.000 0.803 496 N CB 0.818 39.316 38.487 0.020 0.000 1.208 496 N HN 0.247 nan 8.380 nan 0.000 0.498 497 P HA -0.048 nan 4.420 nan 0.000 0.217 497 P C 1.418 178.731 177.300 0.022 0.000 1.150 497 P CA 0.945 64.052 63.100 0.013 0.000 0.832 497 P CB 0.215 31.916 31.700 0.001 0.000 0.787 498 G N 0.530 109.337 108.800 0.012 0.000 2.440 498 G HA2 -0.254 3.698 3.960 -0.014 0.000 0.218 498 G HA3 -0.254 3.698 3.960 -0.014 0.000 0.218 498 G C 1.527 176.432 174.900 0.009 0.000 1.154 498 G CA 0.717 45.821 45.100 0.007 0.000 0.767 498 G HN 0.252 nan 8.290 nan 0.000 0.552 499 L N 1.117 122.348 121.223 0.012 0.000 2.095 499 L HA 0.336 4.667 4.340 -0.014 0.000 0.204 499 L C 3.061 179.959 176.870 0.047 0.000 1.080 499 L CA 1.863 56.709 54.840 0.011 0.000 0.759 499 L CB -0.752 41.313 42.059 0.010 0.000 0.914 499 L HN 0.220 nan 8.230 nan 0.000 0.439 500 A N -0.667 122.204 122.820 0.084 0.000 1.908 500 A HA -0.271 4.041 4.320 -0.014 0.000 0.218 500 A C 2.250 179.931 177.584 0.163 0.000 1.181 500 A CA 1.946 54.088 52.037 0.174 0.000 0.627 500 A CB -0.659 18.430 19.000 0.149 0.000 0.818 500 A HN 0.540 nan 8.150 nan 0.000 0.445 501 E N 0.519 120.774 120.200 0.091 0.000 2.028 501 E HA -0.140 4.202 4.350 -0.014 0.000 0.190 501 E C 1.861 178.497 176.600 0.060 0.000 0.984 501 E CA 1.487 57.930 56.400 0.072 0.000 0.800 501 E CB -0.520 29.204 29.700 0.041 0.000 0.758 501 E HN 0.729 nan 8.360 nan 0.000 0.448 502 I N -1.496 119.103 120.570 0.048 0.000 2.361 502 I HA -0.176 3.986 4.170 -0.014 0.000 0.251 502 I C 2.147 178.329 176.117 0.109 0.000 1.133 502 I CA 1.245 62.585 61.300 0.067 0.000 1.413 502 I CB -0.375 37.644 38.000 0.033 0.000 1.073 502 I HN 0.027 nan 8.210 nan 0.000 0.424 503 I N 1.853 122.461 120.570 0.064 0.000 2.202 503 I HA -0.186 3.975 4.170 -0.014 0.000 0.242 503 I C 2.999 179.053 176.117 -0.105 0.000 1.091 503 I CA 1.324 62.584 61.300 -0.068 0.000 1.368 503 I CB -0.491 37.344 38.000 -0.275 0.000 1.058 503 I HN 0.306 nan 8.210 nan 0.000 0.410 504 A N 0.405 123.259 122.820 0.056 0.000 1.933 504 A HA -0.223 4.088 4.320 -0.014 0.000 0.218 504 A C 2.166 179.777 177.584 0.043 0.000 1.175 504 A CA 1.585 53.710 52.037 0.146 0.000 0.628 504 A CB -0.590 18.532 19.000 0.204 0.000 0.814 504 A HN 0.444 nan 8.150 nan 0.000 0.444 505 E N -0.685 119.523 120.200 0.013 0.000 2.118 505 E HA -0.212 4.129 4.350 -0.014 0.000 0.195 505 E C 2.224 178.785 176.600 -0.064 0.000 0.992 505 E CA 1.144 57.538 56.400 -0.010 0.000 0.804 505 E CB -0.075 29.626 29.700 0.002 0.000 0.741 505 E HN 0.411 nan 8.360 nan 0.000 0.458 506 R N 0.167 120.565 120.500 -0.169 0.000 2.075 506 R HA 0.059 4.391 4.340 -0.014 0.000 0.220 506 R C 2.336 178.530 176.300 -0.177 0.000 1.118 506 R CA 0.933 56.840 56.100 -0.322 0.000 0.986 506 R CB -0.337 29.419 30.300 -0.906 0.000 0.884 506 R HN 0.350 nan 8.270 nan 0.000 0.439 507 I N -3.371 117.115 120.570 -0.140 0.000 4.154 507 I HA 0.446 4.607 4.170 -0.014 0.000 0.334 507 I C 0.431 176.579 176.117 0.052 0.000 1.371 507 I CA 0.116 61.392 61.300 -0.040 0.000 1.110 507 I CB 0.802 38.758 38.000 -0.073 0.000 1.085 507 I HN 0.171 nan 8.210 nan 0.000 0.398 508 G N 2.091 110.934 108.800 0.071 0.000 2.698 508 G HA2 -0.222 3.729 3.960 -0.014 0.000 0.225 508 G HA3 -0.222 3.729 3.960 -0.014 0.000 0.225 508 G C -0.045 174.985 174.900 0.217 0.000 1.345 508 G CA 0.192 45.359 45.100 0.112 0.000 0.871 508 G HN 0.443 nan 8.290 nan 0.000 0.540 509 E N -0.375 119.904 120.200 0.132 0.000 2.481 509 E HA 0.099 4.440 4.350 -0.014 0.000 0.198 509 E C 1.882 178.434 176.600 -0.080 0.000 1.027 509 E CA 0.324 56.745 56.400 0.035 0.000 0.900 509 E CB 0.387 30.099 29.700 0.020 0.000 0.993 509 E HN 0.591 nan 8.360 nan 0.000 0.482 510 E N 0.474 120.699 120.200 0.041 0.000 2.265 510 E HA -0.194 4.147 4.350 -0.014 0.000 0.196 510 E C 1.632 178.226 176.600 -0.009 0.000 0.996 510 E CA 0.856 57.269 56.400 0.023 0.000 0.832 510 E CB 0.005 29.741 29.700 0.060 0.000 0.756 510 E HN 0.441 nan 8.360 nan 0.000 0.491 511 Y N -0.914 119.385 120.300 -0.003 0.000 2.333 511 Y HA -0.096 4.446 4.550 -0.013 0.000 0.290 511 Y C 1.729 177.598 175.900 -0.051 0.000 1.144 511 Y CA 0.681 58.770 58.100 -0.017 0.000 1.228 511 Y CB -0.560 37.894 38.460 -0.011 0.000 0.985 511 Y HN -0.034 nan 8.280 nan 0.000 0.542 512 I N 1.002 121.068 120.570 -0.841 0.000 2.335 512 I HA -0.264 3.897 4.170 -0.014 0.000 0.251 512 I C 1.864 177.701 176.117 -0.467 0.000 1.129 512 I CA 1.955 62.802 61.300 -0.755 0.000 1.402 512 I CB -0.425 37.028 38.000 -0.911 0.000 1.069 512 I HN 0.496 nan 8.210 nan 0.000 0.424 513 S N -2.075 113.459 115.700 -0.276 0.000 2.650 513 S HA 0.158 4.619 4.470 -0.014 0.000 0.240 513 S C 0.188 174.767 174.600 -0.035 0.000 1.007 513 S CA -0.461 57.668 58.200 -0.119 0.000 0.984 513 S CB 0.300 63.507 63.200 0.011 0.000 0.910 513 S HN 0.307 nan 8.310 nan 0.000 0.509 514 D N 0.661 121.047 120.400 -0.023 0.000 2.823 514 D HA 0.241 4.872 4.640 -0.014 0.000 0.255 514 D C 0.353 176.691 176.300 0.063 0.000 1.257 514 D CA -0.386 53.627 54.000 0.022 0.000 0.803 514 D CB 0.377 41.196 40.800 0.031 0.000 1.384 514 D HN 0.103 nan 8.370 nan 0.000 0.541 515 L N 1.125 122.386 121.223 0.063 0.000 2.353 515 L HA -0.011 4.320 4.340 -0.014 0.000 0.220 515 L C 1.425 178.346 176.870 0.086 0.000 1.133 515 L CA 1.515 56.423 54.840 0.114 0.000 0.798 515 L CB -0.076 42.044 42.059 0.101 0.000 0.922 515 L HN 0.263 nan 8.230 nan 0.000 0.445 516 D N -0.716 119.710 120.400 0.044 0.000 2.221 516 D HA -0.222 4.410 4.640 -0.014 0.000 0.204 516 D C 1.931 178.251 176.300 0.033 0.000 0.982 516 D CA 0.887 54.898 54.000 0.019 0.000 0.857 516 D CB 0.044 40.843 40.800 -0.002 0.000 0.934 516 D HN 0.555 nan 8.370 nan 0.000 0.475 517 Q N -0.002 119.835 119.800 0.061 0.000 2.364 517 Q HA -0.056 4.276 4.340 -0.014 0.000 0.209 517 Q C 2.313 178.331 176.000 0.030 0.000 0.977 517 Q CA 0.256 56.096 55.803 0.061 0.000 0.885 517 Q CB -0.008 28.793 28.738 0.106 0.000 0.941 517 Q HN 0.391 nan 8.270 nan 0.000 0.464 518 L N 0.247 121.482 121.223 0.020 0.000 2.261 518 L HA -0.211 4.120 4.340 -0.014 0.000 0.216 518 L C 2.293 179.157 176.870 -0.010 0.000 1.114 518 L CA 0.945 55.761 54.840 -0.039 0.000 0.777 518 L CB -0.415 41.634 42.059 -0.017 0.000 0.910 518 L HN 0.232 nan 8.230 nan 0.000 0.440 519 R N 0.433 120.938 120.500 0.008 0.000 2.127 519 R HA -0.195 4.136 4.340 -0.014 0.000 0.238 519 R C 2.133 178.441 176.300 0.013 0.000 1.134 519 R CA 1.216 57.322 56.100 0.011 0.000 0.975 519 R CB -0.268 30.035 30.300 0.005 0.000 0.865 519 R HN 0.413 nan 8.270 nan 0.000 0.447 520 K N 0.624 121.032 120.400 0.013 0.000 2.286 520 K HA -0.130 4.181 4.320 -0.014 0.000 0.203 520 K C 1.877 178.530 176.600 0.087 0.000 1.045 520 K CA 0.982 57.290 56.287 0.035 0.000 0.935 520 K CB -0.144 32.382 32.500 0.042 0.000 0.737 520 K HN 0.219 nan 8.250 nan 0.000 0.460 521 L N 0.502 121.750 121.223 0.042 0.000 2.465 521 L HA -0.132 4.199 4.340 -0.014 0.000 0.224 521 L C 1.806 178.741 176.870 0.109 0.000 1.145 521 L CA 0.019 54.890 54.840 0.051 0.000 0.834 521 L CB -0.249 41.791 42.059 -0.031 0.000 0.944 521 L HN 0.124 nan 8.230 nan 0.000 0.451 522 L N 0.078 121.337 121.223 0.060 0.000 2.131 522 L HA -0.182 4.150 4.340 -0.014 0.000 0.210 522 L C 2.727 179.589 176.870 -0.013 0.000 1.092 522 L CA 1.945 56.806 54.840 0.034 0.000 0.759 522 L CB -0.967 41.098 42.059 0.011 0.000 0.903 522 L HN 0.371 nan 8.230 nan 0.000 0.435 523 S N -2.573 113.076 115.700 -0.085 0.000 2.603 523 S HA -0.092 4.369 4.470 -0.014 0.000 0.229 523 S C 1.215 175.538 174.600 -0.462 0.000 0.972 523 S CA 0.328 58.365 58.200 -0.272 0.000 0.935 523 S CB -0.527 62.453 63.200 -0.366 0.000 0.769 523 S HN 0.484 nan 8.310 nan 0.000 0.536 524 Y N -0.560 119.664 120.300 -0.127 0.000 2.557 524 Y HA 0.445 4.992 4.550 -0.004 0.000 0.247 524 Y C 1.885 177.816 175.900 0.053 0.000 1.164 524 Y CA -0.531 57.487 58.100 -0.137 0.000 1.218 524 Y CB 0.230 38.375 38.460 -0.526 0.000 1.210 524 Y HN 0.243 nan 8.280 nan 0.000 0.529 525 V N 0.464 120.468 119.914 0.151 0.000 2.594 525 V HA -0.203 3.909 4.120 -0.014 0.000 0.253 525 V C 0.949 177.114 176.094 0.119 0.000 1.069 525 V CA 2.184 64.577 62.300 0.154 0.000 1.082 525 V CB -0.006 31.869 31.823 0.086 0.000 0.680 525 V HN 0.360 nan 8.190 nan 0.000 0.469 526 D N -0.583 119.864 120.400 0.078 0.000 2.402 526 D HA 0.113 4.744 4.640 -0.014 0.000 0.216 526 D C 0.229 176.574 176.300 0.074 0.000 1.128 526 D CA -0.014 54.021 54.000 0.058 0.000 0.833 526 D CB 0.179 40.991 40.800 0.019 0.000 0.971 526 D HN 0.428 nan 8.370 nan 0.000 0.503 527 D N 1.458 121.938 120.400 0.133 0.000 2.339 527 D HA -0.003 4.628 4.640 -0.014 0.000 0.241 527 D C 1.102 177.508 176.300 0.176 0.000 1.183 527 D CA -0.088 54.011 54.000 0.163 0.000 0.859 527 D CB 1.691 42.651 40.800 0.266 0.000 1.067 527 D HN -0.194 nan 8.370 nan 0.000 0.484 528 E N 3.079 123.346 120.200 0.113 0.000 2.153 528 E HA -0.125 4.216 4.350 -0.014 0.000 0.194 528 E C 1.734 178.387 176.600 0.090 0.000 0.988 528 E CA 1.276 57.726 56.400 0.084 0.000 0.811 528 E CB 0.040 29.772 29.700 0.053 0.000 0.746 528 E HN 0.588 nan 8.360 nan 0.000 0.466 529 A N -0.302 122.587 122.820 0.116 0.000 1.873 529 A HA -0.137 4.175 4.320 -0.014 0.000 0.215 529 A C 2.195 179.864 177.584 0.143 0.000 1.186 529 A CA 1.279 53.382 52.037 0.111 0.000 0.616 529 A CB -0.921 18.148 19.000 0.115 0.000 0.823 529 A HN 0.441 nan 8.150 nan 0.000 0.442 530 F N 0.421 120.392 119.950 0.035 0.000 2.146 530 F HA -0.139 4.380 4.527 -0.013 0.000 0.298 530 F C 2.037 177.845 175.800 0.014 0.000 1.096 530 F CA 1.611 59.618 58.000 0.013 0.000 1.275 530 F CB -0.121 38.902 39.000 0.038 0.000 1.008 530 F HN 0.162 nan 8.300 nan 0.000 0.480 531 I N 0.210 120.807 120.570 0.045 0.000 2.151 531 I HA -0.370 3.791 4.170 -0.014 0.000 0.243 531 I C 2.614 178.677 176.117 -0.091 0.000 1.080 531 I CA 1.722 62.995 61.300 -0.045 0.000 1.339 531 I CB -0.543 37.479 38.000 0.036 0.000 1.039 531 I HN 0.109 nan 8.210 nan 0.000 0.409 532 R N 0.775 121.247 120.500 -0.047 0.000 2.081 532 R HA -0.188 4.144 4.340 -0.014 0.000 0.235 532 R C 1.906 178.154 176.300 -0.086 0.000 1.131 532 R CA 1.901 57.972 56.100 -0.050 0.000 0.960 532 R CB -0.121 30.169 30.300 -0.017 0.000 0.856 532 R HN 0.299 nan 8.270 nan 0.000 0.436 533 D N -0.203 120.127 120.400 -0.117 0.000 2.097 533 D HA -0.129 4.503 4.640 -0.014 0.000 0.197 533 D C 1.974 178.143 176.300 -0.218 0.000 0.984 533 D CA 1.240 55.154 54.000 -0.142 0.000 0.826 533 D CB -0.296 40.435 40.800 -0.116 0.000 0.973 533 D HN 0.059 nan 8.370 nan 0.000 0.460 534 V N 1.538 121.219 119.914 -0.388 0.000 2.252 534 V HA -0.286 3.825 4.120 -0.014 0.000 0.249 534 V C 2.513 178.508 176.094 -0.164 0.000 1.056 534 V CA 2.094 64.181 62.300 -0.355 0.000 1.022 534 V CB -0.855 30.674 31.823 -0.490 0.000 0.641 534 V HN 0.212 nan 8.190 nan 0.000 0.445 535 A N -0.730 122.016 122.820 -0.124 0.000 1.969 535 A HA -0.232 4.079 4.320 -0.014 0.000 0.218 535 A C 2.328 179.873 177.584 -0.065 0.000 1.169 535 A CA 2.006 54.005 52.037 -0.064 0.000 0.635 535 A CB -0.438 18.530 19.000 -0.054 0.000 0.810 535 A HN 0.556 nan 8.150 nan 0.000 0.445 536 K N -0.313 120.042 120.400 -0.074 0.000 2.057 536 K HA -0.058 4.253 4.320 -0.014 0.000 0.206 536 K C 1.771 178.341 176.600 -0.051 0.000 1.050 536 K CA 1.432 57.685 56.287 -0.058 0.000 0.935 536 K CB -0.221 32.248 32.500 -0.052 0.000 0.715 536 K HN 0.198 nan 8.250 nan 0.000 0.439 537 V N 1.660 121.538 119.914 -0.060 0.000 2.343 537 V HA -0.239 3.872 4.120 -0.014 0.000 0.247 537 V C 2.340 178.416 176.094 -0.031 0.000 1.051 537 V CA 1.914 64.188 62.300 -0.044 0.000 1.036 537 V CB -0.433 31.357 31.823 -0.055 0.000 0.654 537 V HN 0.340 nan 8.190 nan 0.000 0.451 538 K N 0.438 120.818 120.400 -0.033 0.000 2.026 538 K HA -0.226 4.086 4.320 -0.014 0.000 0.208 538 K C 2.182 178.751 176.600 -0.051 0.000 1.048 538 K CA 1.823 58.097 56.287 -0.021 0.000 0.929 538 K CB -0.552 31.953 32.500 0.008 0.000 0.713 538 K HN 0.373 nan 8.250 nan 0.000 0.439 539 Q N 0.998 120.762 119.800 -0.061 0.000 2.096 539 Q HA -0.143 4.189 4.340 -0.014 0.000 0.204 539 Q C 1.752 177.724 176.000 -0.048 0.000 0.982 539 Q CA 2.106 57.863 55.803 -0.077 0.000 0.850 539 Q CB -0.133 28.565 28.738 -0.067 0.000 0.901 539 Q HN 0.507 nan 8.270 nan 0.000 0.422 540 E N -0.525 119.660 120.200 -0.025 0.000 2.051 540 E HA -0.182 4.160 4.350 -0.014 0.000 0.192 540 E C 1.809 178.423 176.600 0.024 0.000 0.991 540 E CA 1.075 57.475 56.400 -0.000 0.000 0.799 540 E CB -0.119 29.580 29.700 -0.002 0.000 0.748 540 E HN 0.407 nan 8.360 nan 0.000 0.449 541 N N 0.972 119.684 118.700 0.020 0.000 2.104 541 N HA -0.153 4.578 4.740 -0.014 0.000 0.190 541 N C 1.529 177.105 175.510 0.110 0.000 1.024 541 N CA 1.131 54.213 53.050 0.053 0.000 0.853 541 N CB -0.122 38.382 38.487 0.028 0.000 1.008 541 N HN 0.140 nan 8.380 nan 0.000 0.424 542 K N 0.457 120.878 120.400 0.035 0.000 2.097 542 K HA 0.018 4.329 4.320 -0.014 0.000 0.205 542 K C 2.121 178.824 176.600 0.171 0.000 1.050 542 K CA 0.624 56.929 56.287 0.029 0.000 0.938 542 K CB -0.144 32.089 32.500 -0.444 0.000 0.718 542 K HN 0.100 nan 8.250 nan 0.000 0.442 543 L N 1.241 122.514 121.223 0.084 0.000 2.017 543 L HA -0.193 4.138 4.340 -0.014 0.000 0.208 543 L C 2.609 179.560 176.870 0.136 0.000 1.073 543 L CA 1.341 56.239 54.840 0.097 0.000 0.745 543 L CB -0.344 41.743 42.059 0.046 0.000 0.894 543 L HN 0.143 nan 8.230 nan 0.000 0.432 544 K N -0.271 120.213 120.400 0.141 0.000 2.063 544 K HA -0.254 4.058 4.320 -0.014 0.000 0.208 544 K C 2.189 178.931 176.600 0.236 0.000 1.048 544 K CA 1.771 58.152 56.287 0.156 0.000 0.928 544 K CB -0.185 32.394 32.500 0.132 0.000 0.713 544 K HN 0.108 nan 8.250 nan 0.000 0.442 545 F N 0.956 121.000 119.950 0.156 0.000 2.206 545 F HA 0.010 4.528 4.527 -0.014 0.000 0.298 545 F C 1.989 177.937 175.800 0.247 0.000 1.090 545 F CA 1.071 59.196 58.000 0.208 0.000 1.323 545 F CB -0.303 38.825 39.000 0.214 0.000 1.028 545 F HN 0.080 nan 8.300 nan 0.000 0.492 546 A N 0.143 123.119 122.820 0.260 0.000 1.972 546 A HA -0.048 4.263 4.320 -0.014 0.000 0.219 546 A C 2.370 179.956 177.584 0.003 0.000 1.169 546 A CA 1.646 53.761 52.037 0.129 0.000 0.635 546 A CB -1.386 17.747 19.000 0.221 0.000 0.810 546 A HN 0.432 nan 8.150 nan 0.000 0.446 547 A N -1.626 121.218 122.820 0.039 0.000 1.929 547 A HA -0.021 4.290 4.320 -0.014 0.000 0.216 547 A C 2.096 179.673 177.584 -0.012 0.000 1.176 547 A CA 1.436 53.477 52.037 0.006 0.000 0.628 547 A CB -0.761 18.264 19.000 0.041 0.000 0.816 547 A HN 0.696 nan 8.150 nan 0.000 0.444 548 Y N 0.138 120.366 120.300 -0.119 0.000 2.165 548 Y HA -0.201 4.340 4.550 -0.014 0.000 0.286 548 Y C 1.902 177.705 175.900 -0.162 0.000 1.155 548 Y CA 1.783 59.798 58.100 -0.141 0.000 1.164 548 Y CB -0.273 38.089 38.460 -0.164 0.000 0.978 548 Y HN 0.202 nan 8.280 nan 0.000 0.513 549 L N 0.802 121.884 121.223 -0.235 0.000 2.046 549 L HA -0.208 4.124 4.340 -0.014 0.000 0.208 549 L C 2.364 179.152 176.870 -0.137 0.000 1.077 549 L CA 1.897 56.615 54.840 -0.203 0.000 0.747 549 L CB -1.031 40.880 42.059 -0.247 0.000 0.896 549 L HN 0.320 nan 8.230 nan 0.000 0.432 550 E N -1.113 118.991 120.200 -0.160 0.000 2.047 550 E HA -0.237 4.104 4.350 -0.014 0.000 0.191 550 E C 2.329 178.841 176.600 -0.148 0.000 0.987 550 E CA 0.974 57.277 56.400 -0.161 0.000 0.799 550 E CB -0.114 29.451 29.700 -0.225 0.000 0.752 550 E HN 0.352 nan 8.360 nan 0.000 0.449 551 R N 0.848 121.241 120.500 -0.178 0.000 2.070 551 R HA -0.142 4.190 4.340 -0.014 0.000 0.233 551 R C 1.783 177.921 176.300 -0.271 0.000 1.137 551 R CA 1.398 57.387 56.100 -0.185 0.000 0.945 551 R CB 0.149 30.354 30.300 -0.159 0.000 0.845 551 R HN 0.054 nan 8.270 nan 0.000 0.430 552 E N -1.156 118.772 120.200 -0.453 0.000 2.400 552 E HA -0.051 4.290 4.350 -0.014 0.000 0.195 552 E C 0.418 176.516 176.600 -0.837 0.000 1.012 552 E CA 0.647 56.628 56.400 -0.698 0.000 0.875 552 E CB 0.547 29.599 29.700 -1.079 0.000 0.859 552 E HN 0.480 nan 8.360 nan 0.000 0.498 553 Y N -0.163 120.002 120.300 -0.225 0.000 2.666 553 Y HA 0.186 4.728 4.550 -0.015 0.000 0.260 553 Y C -0.061 175.798 175.900 -0.069 0.000 1.089 553 Y CA -0.668 57.359 58.100 -0.122 0.000 1.246 553 Y CB 0.790 39.182 38.460 -0.113 0.000 1.353 553 Y HN -0.260 nan 8.280 nan 0.000 0.558 554 K N 0.783 121.197 120.400 0.023 0.000 3.257 554 K HA -0.123 4.188 4.320 -0.014 0.000 0.270 554 K C -0.721 175.942 176.600 0.105 0.000 0.984 554 K CA 0.827 57.142 56.287 0.046 0.000 0.739 554 K CB -2.270 30.262 32.500 0.053 0.000 1.351 554 K HN 0.252 nan 8.250 nan 0.000 0.463 555 V N -2.092 117.864 119.914 0.070 0.000 2.588 555 V HA 0.447 4.559 4.120 -0.014 0.000 0.304 555 V C 0.346 176.473 176.094 0.056 0.000 1.042 555 V CA -0.871 61.484 62.300 0.092 0.000 0.877 555 V CB 2.184 34.031 31.823 0.040 0.000 0.996 555 V HN 0.296 nan 8.190 nan 0.000 0.425 556 H N 5.523 124.584 119.070 -0.015 0.000 2.652 556 H HA 0.630 5.177 4.556 -0.014 0.000 0.298 556 H C -0.333 174.987 175.328 -0.012 0.000 1.076 556 H CA -0.073 55.971 56.048 -0.007 0.000 1.360 556 H CB 1.838 31.599 29.762 -0.001 0.000 1.421 556 H HN 0.856 nan 8.280 nan 0.000 0.464 557 I N 0.483 121.090 120.570 0.062 0.000 2.785 557 I HA 0.344 4.506 4.170 -0.014 0.000 0.302 557 I C -0.182 176.007 176.117 0.119 0.000 1.069 557 I CA -1.301 60.037 61.300 0.064 0.000 1.045 557 I CB 2.062 40.063 38.000 0.002 0.000 1.236 557 I HN 0.267 nan 8.210 nan 0.000 0.429 558 N N 5.193 123.975 118.700 0.137 0.000 2.406 558 N HA 0.394 5.125 4.740 -0.014 0.000 0.251 558 N C -2.033 173.626 175.510 0.248 0.000 1.069 558 N CA -2.370 50.771 53.050 0.151 0.000 0.947 558 N CB 1.013 39.562 38.487 0.104 0.000 1.111 558 N HN 0.387 nan 8.380 nan 0.000 0.497 559 P HA 0.077 nan 4.420 nan 0.000 0.242 559 P C -0.125 177.151 177.300 -0.041 0.000 1.197 559 P CA 0.823 63.996 63.100 0.123 0.000 0.765 559 P CB 0.206 31.952 31.700 0.078 0.000 0.936 560 N N -1.053 117.667 118.700 0.033 0.000 2.353 560 N HA -0.006 4.725 4.740 -0.014 0.000 0.185 560 N C 0.422 175.969 175.510 0.061 0.000 1.098 560 N CA -0.044 53.018 53.050 0.020 0.000 0.872 560 N CB 0.021 38.530 38.487 0.037 0.000 0.970 560 N HN 0.130 nan 8.380 nan 0.000 0.467 561 S N 0.211 115.964 115.700 0.089 0.000 2.614 561 S HA 0.172 4.633 4.470 -0.014 0.000 0.265 561 S C 0.084 174.669 174.600 -0.024 0.000 1.303 561 S CA -0.890 57.350 58.200 0.066 0.000 1.000 561 S CB 1.026 64.289 63.200 0.106 0.000 0.935 561 S HN 0.187 nan 8.310 nan 0.000 0.551 562 L N 2.178 123.210 121.223 -0.319 0.000 2.477 562 L HA 0.320 4.652 4.340 -0.014 0.000 0.272 562 L C -0.786 176.056 176.870 -0.046 0.000 1.157 562 L CA -0.377 54.071 54.840 -0.653 0.000 0.889 562 L CB -0.254 41.168 42.059 -1.061 0.000 1.158 562 L HN 0.703 nan 8.230 nan 0.000 0.473 563 F N 4.338 124.144 119.950 -0.240 0.000 2.423 563 F HA 0.094 4.613 4.527 -0.013 0.000 0.356 563 F C 0.473 176.200 175.800 -0.122 0.000 1.170 563 F CA -0.779 57.152 58.000 -0.114 0.000 1.163 563 F CB 0.464 39.444 39.000 -0.033 0.000 1.318 563 F HN 0.516 nan 8.300 nan 0.000 0.569 564 D N 4.920 125.307 120.400 -0.021 0.000 2.396 564 D HA 0.212 4.843 4.640 -0.014 0.000 0.225 564 D C -1.067 175.164 176.300 -0.115 0.000 1.121 564 D CA -0.056 53.893 54.000 -0.086 0.000 0.853 564 D CB 1.410 42.144 40.800 -0.110 0.000 1.043 564 D HN 0.267 nan 8.370 nan 0.000 0.500 565 V N 3.280 123.108 119.914 -0.143 0.000 2.540 565 V HA 0.527 4.638 4.120 -0.014 0.000 0.302 565 V C -1.321 174.607 176.094 -0.276 0.000 1.035 565 V CA -0.662 61.534 62.300 -0.174 0.000 0.873 565 V CB 1.808 33.584 31.823 -0.078 0.000 0.992 565 V HN 0.532 nan 8.190 nan 0.000 0.428 566 Q N 4.864 124.523 119.800 -0.234 0.000 2.401 566 Q HA 0.659 4.990 4.340 -0.014 0.000 0.260 566 Q C -1.379 174.450 176.000 -0.286 0.000 1.034 566 Q CA -0.639 55.013 55.803 -0.251 0.000 0.737 566 Q CB 1.809 30.431 28.738 -0.193 0.000 1.227 566 Q HN 1.076 nan 8.270 nan 0.000 0.488 567 V N 1.634 121.365 119.914 -0.304 0.000 2.487 567 V HA 0.867 4.978 4.120 -0.014 0.000 0.298 567 V C -0.936 174.878 176.094 -0.468 0.000 1.028 567 V CA -0.559 61.367 62.300 -0.623 0.000 0.860 567 V CB 1.164 32.362 31.823 -1.042 0.000 0.991 567 V HN 0.839 nan 8.190 nan 0.000 0.427 568 K N 2.533 122.707 120.400 -0.376 0.000 3.040 568 K HA 0.433 4.744 4.320 -0.014 0.000 0.300 568 K C -1.228 175.384 176.600 0.019 0.000 1.092 568 K CA -1.217 55.046 56.287 -0.040 0.000 0.831 568 K CB 0.806 33.271 32.500 -0.059 0.000 1.469 568 K HN 0.435 nan 8.250 nan 0.000 0.365 569 R N 0.922 121.492 120.500 0.117 0.000 2.698 569 R HA 0.148 4.480 4.340 -0.014 0.000 0.266 569 R C 0.315 176.638 176.300 0.038 0.000 1.026 569 R CA -0.322 55.853 56.100 0.125 0.000 1.102 569 R CB -0.160 30.269 30.300 0.216 0.000 0.978 569 R HN 0.475 nan 8.270 nan 0.000 0.436 570 I N 4.617 125.174 120.570 -0.022 0.000 2.436 570 I HA 0.086 4.247 4.170 -0.014 0.000 0.289 570 I C 0.707 176.667 176.117 -0.262 0.000 1.083 570 I CA 0.621 61.848 61.300 -0.121 0.000 1.372 570 I CB -0.403 37.523 38.000 -0.123 0.000 1.408 570 I HN 0.250 nan 8.210 nan 0.000 0.516 571 H N 4.505 123.459 119.070 -0.194 0.000 2.974 571 H HA 0.225 4.773 4.556 -0.014 0.000 0.366 571 H C 0.520 175.711 175.328 -0.228 0.000 1.155 571 H CA -0.451 55.515 56.048 -0.137 0.000 1.186 571 H CB 2.069 31.665 29.762 -0.276 0.000 1.799 571 H HN 0.526 nan 8.280 nan 0.000 0.541 572 E N 1.535 121.782 120.200 0.078 0.000 2.118 572 E HA -0.224 4.117 4.350 -0.014 0.000 0.195 572 E C 1.427 177.746 176.600 -0.469 0.000 0.992 572 E CA 1.650 58.022 56.400 -0.047 0.000 0.804 572 E CB 0.012 29.878 29.700 0.276 0.000 0.741 572 E HN 0.574 nan 8.360 nan 0.000 0.458 573 Y N 0.719 120.466 120.300 -0.922 0.000 2.352 573 Y HA -0.018 4.523 4.550 -0.015 0.000 0.292 573 Y C 1.526 177.158 175.900 -0.446 0.000 1.136 573 Y CA 0.847 58.249 58.100 -1.163 0.000 1.227 573 Y CB -0.098 37.731 38.460 -1.051 0.000 0.991 573 Y HN -0.209 nan 8.280 nan 0.000 0.545 574 K N 0.709 120.613 120.400 -0.825 0.000 2.432 574 K HA 0.070 4.381 4.320 -0.014 0.000 0.196 574 K C 0.124 176.545 176.600 -0.299 0.000 1.038 574 K CA 0.509 56.450 56.287 -0.578 0.000 0.986 574 K CB -0.036 32.123 32.500 -0.569 0.000 0.782 574 K HN 0.262 nan 8.250 nan 0.000 0.485 575 R N 0.400 120.752 120.500 -0.247 0.000 3.336 575 R HA -0.229 4.102 4.340 -0.014 0.000 0.260 575 R C 0.295 176.512 176.300 -0.139 0.000 1.032 575 R CA 0.223 56.233 56.100 -0.150 0.000 0.693 575 R CB -1.944 28.286 30.300 -0.117 0.000 1.134 575 R HN 0.297 nan 8.270 nan 0.000 0.433 576 Q N 0.365 120.082 119.800 -0.139 0.000 2.248 576 Q HA -0.092 4.239 4.340 -0.014 0.000 0.208 576 Q C 2.042 177.991 176.000 -0.085 0.000 0.984 576 Q CA 1.580 57.317 55.803 -0.111 0.000 0.875 576 Q CB -0.018 28.658 28.738 -0.104 0.000 0.910 576 Q HN 0.589 nan 8.270 nan 0.000 0.433 577 L N -0.666 120.510 121.223 -0.078 0.000 2.083 577 L HA -0.172 4.159 4.340 -0.014 0.000 0.209 577 L C 2.028 178.900 176.870 0.003 0.000 1.083 577 L CA 0.513 55.322 54.840 -0.050 0.000 0.752 577 L CB -0.350 41.690 42.059 -0.031 0.000 0.899 577 L HN 0.308 nan 8.230 nan 0.000 0.433 578 L N 0.097 121.315 121.223 -0.009 0.000 2.046 578 L HA -0.232 4.099 4.340 -0.014 0.000 0.208 578 L C 2.038 178.965 176.870 0.094 0.000 1.077 578 L CA 1.907 56.755 54.840 0.013 0.000 0.747 578 L CB -0.817 41.141 42.059 -0.168 0.000 0.896 578 L HN 0.276 nan 8.230 nan 0.000 0.432 579 N N -1.603 117.115 118.700 0.030 0.000 2.069 579 N HA -0.253 4.479 4.740 -0.014 0.000 0.191 579 N C 1.963 177.556 175.510 0.137 0.000 1.031 579 N CA 1.783 54.930 53.050 0.163 0.000 0.852 579 N CB -0.172 38.337 38.487 0.037 0.000 1.018 579 N HN 0.501 nan 8.380 nan 0.000 0.423 580 C N 0.562 119.876 119.300 0.023 0.000 2.401 580 C HA -0.100 4.352 4.460 -0.014 0.000 0.276 580 C C 2.603 177.580 174.990 -0.022 0.000 1.233 580 C CA 0.435 59.419 59.018 -0.058 0.000 1.753 580 C CB -1.287 26.366 27.740 -0.145 0.000 2.029 580 C HN 0.506 nan 8.230 nan 0.000 0.478 581 L N -0.443 120.829 121.223 0.082 0.000 2.046 581 L HA -0.194 4.137 4.340 -0.014 0.000 0.208 581 L C 2.779 179.794 176.870 0.241 0.000 1.077 581 L CA 1.835 56.770 54.840 0.158 0.000 0.747 581 L CB -1.084 41.136 42.059 0.270 0.000 0.896 581 L HN 0.583 nan 8.230 nan 0.000 0.432 582 H N 0.019 119.193 119.070 0.173 0.000 2.353 582 H HA -0.141 4.406 4.556 -0.014 0.000 0.300 582 H C 2.242 177.554 175.328 -0.027 0.000 1.090 582 H CA 1.953 58.013 56.048 0.019 0.000 1.327 582 H CB 0.290 29.974 29.762 -0.129 0.000 1.383 582 H HN 0.089 nan 8.280 nan 0.000 0.508 583 V N 1.609 121.451 119.914 -0.121 0.000 2.287 583 V HA -0.285 3.827 4.120 -0.014 0.000 0.248 583 V C 2.847 178.876 176.094 -0.109 0.000 1.053 583 V CA 1.986 64.182 62.300 -0.173 0.000 1.027 583 V CB -0.522 31.241 31.823 -0.099 0.000 0.646 583 V HN 0.394 nan 8.190 nan 0.000 0.447 584 I N -0.299 120.239 120.570 -0.054 0.000 2.394 584 I HA -0.205 3.956 4.170 -0.014 0.000 0.251 584 I C 2.481 178.654 176.117 0.093 0.000 1.136 584 I CA 1.614 62.953 61.300 0.066 0.000 1.425 584 I CB -0.690 37.318 38.000 0.014 0.000 1.079 584 I HN 0.327 nan 8.210 nan 0.000 0.425 585 T N 1.267 115.826 114.554 0.009 0.000 2.708 585 T HA -0.152 4.190 4.350 -0.014 0.000 0.266 585 T C 1.883 176.526 174.700 -0.097 0.000 1.037 585 T CA 1.235 63.328 62.100 -0.012 0.000 1.146 585 T CB -0.254 68.627 68.868 0.022 0.000 0.865 585 T HN 0.080 nan 8.240 nan 0.000 0.435 586 L N 0.101 121.192 121.223 -0.220 0.000 2.046 586 L HA -0.015 4.317 4.340 -0.014 0.000 0.208 586 L C 2.087 178.912 176.870 -0.075 0.000 1.077 586 L CA 1.539 56.253 54.840 -0.211 0.000 0.747 586 L CB -1.054 40.808 42.059 -0.328 0.000 0.896 586 L HN 0.369 nan 8.230 nan 0.000 0.432 587 Y N 0.229 120.464 120.300 -0.109 0.000 2.145 587 Y HA -0.283 4.258 4.550 -0.015 0.000 0.286 587 Y C 2.442 178.325 175.900 -0.029 0.000 1.145 587 Y CA 1.827 59.906 58.100 -0.035 0.000 1.148 587 Y CB -0.086 38.404 38.460 0.050 0.000 0.981 587 Y HN 0.269 nan 8.280 nan 0.000 0.507 588 N N 0.486 119.139 118.700 -0.078 0.000 2.166 588 N HA -0.150 4.582 4.740 -0.014 0.000 0.186 588 N C 1.830 177.227 175.510 -0.189 0.000 1.019 588 N CA 1.535 54.478 53.050 -0.179 0.000 0.856 588 N CB -0.378 38.068 38.487 -0.068 0.000 0.993 588 N HN 0.438 nan 8.380 nan 0.000 0.426 589 R N 0.351 120.767 120.500 -0.141 0.000 2.092 589 R HA 0.076 4.408 4.340 -0.014 0.000 0.231 589 R C 2.218 178.431 176.300 -0.145 0.000 1.119 589 R CA 0.724 56.748 56.100 -0.126 0.000 0.970 589 R CB -0.224 30.012 30.300 -0.107 0.000 0.864 589 R HN 0.243 nan 8.270 nan 0.000 0.440 590 I N 0.925 121.389 120.570 -0.177 0.000 2.179 590 I HA -0.268 3.893 4.170 -0.014 0.000 0.242 590 I C 2.077 178.073 176.117 -0.202 0.000 1.088 590 I CA 1.190 62.385 61.300 -0.176 0.000 1.357 590 I CB -0.182 37.718 38.000 -0.166 0.000 1.051 590 I HN 0.014 nan 8.210 nan 0.000 0.409 591 K N 0.861 121.073 120.400 -0.313 0.000 2.209 591 K HA -0.203 4.108 4.320 -0.014 0.000 0.204 591 K C 1.997 178.493 176.600 -0.173 0.000 1.048 591 K CA 1.192 57.308 56.287 -0.284 0.000 0.940 591 K CB -0.277 31.970 32.500 -0.422 0.000 0.729 591 K HN 0.343 nan 8.250 nan 0.000 0.451 592 K N 1.039 121.346 120.400 -0.155 0.000 2.137 592 K HA -0.045 4.266 4.320 -0.014 0.000 0.202 592 K C 0.062 176.614 176.600 -0.081 0.000 1.052 592 K CA 0.871 57.094 56.287 -0.106 0.000 0.961 592 K CB 0.412 32.853 32.500 -0.098 0.000 0.741 592 K HN 0.020 nan 8.250 nan 0.000 0.452 593 E N 0.430 120.581 120.200 -0.083 0.000 3.303 593 E HA 0.121 4.463 4.350 -0.014 0.000 0.215 593 E C -2.319 174.245 176.600 -0.060 0.000 1.181 593 E CA -1.697 54.667 56.400 -0.059 0.000 0.998 593 E CB 1.686 31.357 29.700 -0.048 0.000 1.312 593 E HN 0.134 nan 8.360 nan 0.000 0.412 594 P HA -0.133 nan 4.420 nan 0.000 0.217 594 P C 0.242 177.521 177.300 -0.034 0.000 1.150 594 P CA 1.220 64.286 63.100 -0.057 0.000 0.832 594 P CB 0.217 31.888 31.700 -0.048 0.000 0.787 595 N N -1.402 117.287 118.700 -0.018 0.000 2.268 595 N HA 0.047 4.778 4.740 -0.014 0.000 0.204 595 N C 0.399 175.924 175.510 0.024 0.000 1.124 595 N CA -0.112 52.941 53.050 0.005 0.000 0.838 595 N CB 0.056 38.546 38.487 0.005 0.000 0.994 595 N HN 0.100 nan 8.380 nan 0.000 0.489 596 K N 0.910 121.318 120.400 0.013 0.000 2.174 596 K HA 0.167 4.478 4.320 -0.014 0.000 0.275 596 K C -0.834 175.805 176.600 0.064 0.000 1.015 596 K CA -0.634 55.677 56.287 0.040 0.000 0.933 596 K CB 0.654 33.160 32.500 0.010 0.000 1.025 596 K HN -0.080 nan 8.250 nan 0.000 0.463 597 F N 5.086 125.022 119.950 -0.024 0.000 2.456 597 F HA 0.240 4.759 4.527 -0.014 0.000 0.358 597 F C -0.522 175.262 175.800 -0.026 0.000 1.095 597 F CA -0.217 57.770 58.000 -0.022 0.000 1.216 597 F CB 0.608 39.598 39.000 -0.016 0.000 1.125 597 F HN 0.185 nan 8.300 nan 0.000 0.549 598 V N 4.443 123.850 119.914 -0.845 0.000 2.735 598 V HA 0.531 4.643 4.120 -0.014 0.000 0.310 598 V C -0.595 174.889 176.094 -1.017 0.000 1.061 598 V CA -1.225 60.665 62.300 -0.683 0.000 0.913 598 V CB 0.989 32.603 31.823 -0.349 0.000 1.005 598 V HN 0.566 nan 8.190 nan 0.000 0.428 599 V N 5.214 124.789 119.914 -0.565 0.000 2.509 599 V HA 0.153 4.264 4.120 -0.014 0.000 0.297 599 V C -1.821 174.101 176.094 -0.288 0.000 1.014 599 V CA -0.332 61.776 62.300 -0.320 0.000 1.127 599 V CB 0.332 32.104 31.823 -0.085 0.000 0.925 599 V HN 0.895 nan 8.190 nan 0.000 0.480 600 P HA 0.273 nan 4.420 nan 0.000 0.268 600 P C -0.384 176.828 177.300 -0.147 0.000 1.204 600 P CA 0.079 63.088 63.100 -0.152 0.000 0.768 600 P CB 0.476 32.139 31.700 -0.062 0.000 0.842 601 R N 1.342 121.766 120.500 -0.127 0.000 2.686 601 R HA 0.513 4.844 4.340 -0.014 0.000 0.283 601 R C -0.706 175.551 176.300 -0.072 0.000 0.978 601 R CA -0.610 55.417 56.100 -0.123 0.000 0.897 601 R CB 1.918 32.130 30.300 -0.146 0.000 1.192 601 R HN 0.301 nan 8.270 nan 0.000 0.457 602 T N 2.322 116.846 114.554 -0.049 0.000 2.770 602 T HA 0.224 4.566 4.350 -0.014 0.000 0.297 602 T C -0.201 174.404 174.700 -0.159 0.000 0.997 602 T CA -0.446 61.580 62.100 -0.123 0.000 0.949 602 T CB 1.081 69.801 68.868 -0.247 0.000 0.941 602 T HN 0.137 nan 8.240 nan 0.000 0.457 603 V N 5.989 125.823 119.914 -0.134 0.000 2.368 603 V HA 0.374 4.486 4.120 -0.014 0.000 0.266 603 V C 0.099 176.110 176.094 -0.138 0.000 1.045 603 V CA -0.362 61.865 62.300 -0.122 0.000 0.899 603 V CB 0.519 32.289 31.823 -0.088 0.000 1.006 603 V HN 0.862 nan 8.190 nan 0.000 0.470 604 M N 6.615 126.120 119.600 -0.159 0.000 2.167 604 M HA 0.604 5.075 4.480 -0.014 0.000 0.333 604 M C -0.946 175.242 176.300 -0.188 0.000 1.030 604 M CA -0.115 55.082 55.300 -0.171 0.000 0.963 604 M CB 1.787 34.279 32.600 -0.179 0.000 1.589 604 M HN 0.434 nan 8.290 nan 0.000 0.431 605 I N 2.084 122.527 120.570 -0.211 0.000 2.498 605 I HA 0.808 4.970 4.170 -0.014 0.000 0.290 605 I C 0.099 175.895 176.117 -0.536 0.000 1.032 605 I CA -0.614 60.533 61.300 -0.255 0.000 1.073 605 I CB 2.224 40.162 38.000 -0.103 0.000 1.251 605 I HN 0.775 nan 8.210 nan 0.000 0.426 606 G N 2.983 111.427 108.800 -0.594 0.000 2.690 606 G HA2 0.852 4.803 3.960 -0.014 0.000 0.293 606 G HA3 0.852 4.803 3.960 -0.014 0.000 0.293 606 G C -0.995 173.605 174.900 -0.500 0.000 1.399 606 G CA -0.794 43.806 45.100 -0.833 0.000 0.890 606 G HN 0.988 nan 8.290 nan 0.000 0.485 607 G N -0.462 108.195 108.800 -0.238 0.000 2.337 607 G HA2 0.399 4.350 3.960 -0.014 0.000 0.310 607 G HA3 0.399 4.350 3.960 -0.014 0.000 0.310 607 G C -1.289 173.733 174.900 0.205 0.000 1.534 607 G CA -1.033 44.102 45.100 0.059 0.000 0.982 607 G HN 0.604 nan 8.290 nan 0.000 0.672 608 K N -0.072 120.444 120.400 0.193 0.000 2.110 608 K HA 0.745 5.057 4.320 -0.014 0.000 0.263 608 K C 0.318 177.035 176.600 0.194 0.000 0.975 608 K CA -0.154 56.264 56.287 0.217 0.000 0.895 608 K CB 1.994 34.517 32.500 0.038 0.000 1.060 608 K HN 0.874 nan 8.250 nan 0.000 0.448 609 A N 1.480 124.447 122.820 0.245 0.000 2.312 609 A HA 0.618 4.930 4.320 -0.014 0.000 0.326 609 A C -0.389 177.350 177.584 0.258 0.000 1.172 609 A CA -0.716 51.394 52.037 0.122 0.000 0.821 609 A CB 0.923 19.920 19.000 -0.006 0.000 1.166 609 A HN 0.782 nan 8.150 nan 0.000 0.493 610 A N 3.659 126.601 122.820 0.203 0.000 2.546 610 A HA 0.449 4.760 4.320 -0.014 0.000 0.243 610 A C -1.398 176.252 177.584 0.109 0.000 1.063 610 A CA -0.734 51.433 52.037 0.217 0.000 0.757 610 A CB -0.358 18.738 19.000 0.160 0.000 0.991 610 A HN 0.597 nan 8.150 nan 0.000 0.503 611 P HA -0.133 nan 4.420 nan 0.000 0.217 611 P C 1.330 178.613 177.300 -0.028 0.000 1.148 611 P CA 1.948 64.978 63.100 -0.118 0.000 0.828 611 P CB 0.200 31.772 31.700 -0.214 0.000 0.783 612 G N -2.982 105.824 108.800 0.011 0.000 3.042 612 G HA2 -0.093 3.859 3.960 -0.014 0.000 0.212 612 G HA3 -0.093 3.859 3.960 -0.014 0.000 0.212 612 G C -0.136 174.798 174.900 0.056 0.000 1.166 612 G CA -0.115 44.997 45.100 0.021 0.000 0.767 612 G HN 0.309 nan 8.290 nan 0.000 0.546 613 Y N 1.693 121.933 120.300 -0.099 0.000 2.691 613 Y HA 0.195 4.736 4.550 -0.014 0.000 0.338 613 Y C 1.639 177.530 175.900 -0.016 0.000 1.148 613 Y CA -1.067 56.961 58.100 -0.121 0.000 1.430 613 Y CB 0.115 38.458 38.460 -0.194 0.000 1.303 613 Y HN 0.280 nan 8.280 nan 0.000 0.499 614 H N 4.059 123.259 119.070 0.216 0.000 2.319 614 H HA -0.214 4.333 4.556 -0.014 0.000 0.299 614 H C 1.818 177.201 175.328 0.092 0.000 1.092 614 H CA 2.310 58.432 56.048 0.125 0.000 1.302 614 H CB 0.377 30.204 29.762 0.109 0.000 1.373 614 H HN 0.719 nan 8.280 nan 0.000 0.497 615 M N 1.020 120.694 119.600 0.123 0.000 2.108 615 M HA -0.083 4.389 4.480 -0.014 0.000 0.261 615 M C 2.543 178.663 176.300 -0.301 0.000 1.066 615 M CA 1.831 57.114 55.300 -0.027 0.000 1.107 615 M CB -0.763 31.948 32.600 0.185 0.000 1.356 615 M HN 0.333 nan 8.290 nan 0.000 0.406 616 A N -0.457 121.948 122.820 -0.692 0.000 1.933 616 A HA -0.191 4.120 4.320 -0.014 0.000 0.218 616 A C 2.199 179.579 177.584 -0.341 0.000 1.175 616 A CA 1.860 53.470 52.037 -0.711 0.000 0.628 616 A CB -0.639 17.667 19.000 -1.156 0.000 0.814 616 A HN 0.586 nan 8.150 nan 0.000 0.444 617 K N -1.145 119.111 120.400 -0.240 0.000 2.097 617 K HA -0.052 4.260 4.320 -0.014 0.000 0.205 617 K C 1.942 178.484 176.600 -0.096 0.000 1.050 617 K CA 1.260 57.485 56.287 -0.102 0.000 0.938 617 K CB -0.211 32.285 32.500 -0.007 0.000 0.718 617 K HN 0.337 nan 8.250 nan 0.000 0.442 618 M N 0.516 120.018 119.600 -0.164 0.000 2.175 618 M HA -0.084 4.387 4.480 -0.014 0.000 0.264 618 M C 2.105 178.335 176.300 -0.116 0.000 1.063 618 M CA 1.424 56.667 55.300 -0.095 0.000 1.119 618 M CB -0.627 31.919 32.600 -0.090 0.000 1.377 618 M HN 0.123 nan 8.290 nan 0.000 0.415 619 I N -0.201 120.265 120.570 -0.172 0.000 2.226 619 I HA -0.300 3.862 4.170 -0.014 0.000 0.245 619 I C 2.288 178.264 176.117 -0.236 0.000 1.100 619 I CA 1.049 62.232 61.300 -0.194 0.000 1.374 619 I CB -0.344 37.545 38.000 -0.185 0.000 1.057 619 I HN 0.164 nan 8.210 nan 0.000 0.413 620 I N 0.691 121.102 120.570 -0.266 0.000 2.163 620 I HA -0.329 3.833 4.170 -0.014 0.000 0.243 620 I C 2.630 178.440 176.117 -0.512 0.000 1.085 620 I CA 1.339 62.372 61.300 -0.446 0.000 1.347 620 I CB -0.357 37.354 38.000 -0.481 0.000 1.044 620 I HN 0.163 nan 8.210 nan 0.000 0.408 621 K N 1.502 121.620 120.400 -0.470 0.000 2.032 621 K HA -0.181 4.131 4.320 -0.014 0.000 0.209 621 K C 2.051 178.474 176.600 -0.295 0.000 1.048 621 K CA 1.625 57.561 56.287 -0.585 0.000 0.927 621 K CB -0.688 31.194 32.500 -1.030 0.000 0.712 621 K HN 0.231 nan 8.250 nan 0.000 0.441 622 L N 0.361 121.430 121.223 -0.257 0.000 2.012 622 L HA -0.203 4.129 4.340 -0.014 0.000 0.210 622 L C 2.251 178.866 176.870 -0.426 0.000 1.073 622 L CA 1.837 56.338 54.840 -0.564 0.000 0.748 622 L CB -0.329 41.312 42.059 -0.697 0.000 0.891 622 L HN 0.287 nan 8.230 nan 0.000 0.431 623 I N -0.258 120.120 120.570 -0.320 0.000 2.163 623 I HA -0.342 3.820 4.170 -0.014 0.000 0.243 623 I C 2.637 178.644 176.117 -0.183 0.000 1.085 623 I CA 1.977 63.149 61.300 -0.214 0.000 1.347 623 I CB -0.581 37.380 38.000 -0.066 0.000 1.044 623 I HN 0.427 nan 8.210 nan 0.000 0.408 624 T N -0.860 113.555 114.554 -0.231 0.000 2.821 624 T HA -0.072 4.269 4.350 -0.014 0.000 0.267 624 T C 1.970 176.602 174.700 -0.114 0.000 1.046 624 T CA 0.940 62.939 62.100 -0.168 0.000 1.139 624 T CB -0.474 68.250 68.868 -0.240 0.000 0.871 624 T HN 0.339 nan 8.240 nan 0.000 0.454 625 A N 1.475 124.223 122.820 -0.120 0.000 1.930 625 A HA 0.150 4.461 4.320 -0.014 0.000 0.217 625 A C 2.371 179.970 177.584 0.024 0.000 1.175 625 A CA 1.261 53.299 52.037 0.003 0.000 0.627 625 A CB -0.797 18.308 19.000 0.174 0.000 0.815 625 A HN 0.591 nan 8.150 nan 0.000 0.443 626 I N -0.307 120.172 120.570 -0.151 0.000 2.179 626 I HA -0.192 3.970 4.170 -0.014 0.000 0.242 626 I C 2.733 178.803 176.117 -0.078 0.000 1.088 626 I CA 1.134 62.321 61.300 -0.188 0.000 1.357 626 I CB -0.653 37.108 38.000 -0.398 0.000 1.051 626 I HN 0.386 nan 8.210 nan 0.000 0.409 627 G N 0.473 109.222 108.800 -0.085 0.000 2.440 627 G HA2 -0.272 3.680 3.960 -0.014 0.000 0.218 627 G HA3 -0.272 3.680 3.960 -0.014 0.000 0.218 627 G C 1.261 176.150 174.900 -0.019 0.000 1.154 627 G CA 1.079 46.141 45.100 -0.064 0.000 0.767 627 G HN 0.289 nan 8.290 nan 0.000 0.552 628 D N -0.089 120.338 120.400 0.045 0.000 2.182 628 D HA -0.069 4.562 4.640 -0.014 0.000 0.201 628 D C 2.662 179.070 176.300 0.180 0.000 0.986 628 D CA 0.601 54.696 54.000 0.158 0.000 0.847 628 D CB -0.070 40.778 40.800 0.079 0.000 0.942 628 D HN 0.267 nan 8.370 nan 0.000 0.467 629 V N -0.001 119.945 119.914 0.054 0.000 2.426 629 V HA -0.110 4.001 4.120 -0.014 0.000 0.242 629 V C 2.541 178.577 176.094 -0.096 0.000 1.036 629 V CA 0.651 62.923 62.300 -0.047 0.000 1.044 629 V CB -0.114 31.635 31.823 -0.123 0.000 0.688 629 V HN 0.018 nan 8.190 nan 0.000 0.462 630 V N 0.927 120.734 119.914 -0.177 0.000 2.358 630 V HA -0.171 3.940 4.120 -0.014 0.000 0.246 630 V C 2.105 178.156 176.094 -0.072 0.000 1.047 630 V CA 1.900 64.088 62.300 -0.187 0.000 1.035 630 V CB -0.812 30.896 31.823 -0.190 0.000 0.658 630 V HN 0.557 nan 8.190 nan 0.000 0.452 631 N N -0.363 118.241 118.700 -0.161 0.000 2.512 631 N HA -0.077 4.655 4.740 -0.014 0.000 0.183 631 N C 1.215 176.463 175.510 -0.436 0.000 1.073 631 N CA 0.879 53.745 53.050 -0.306 0.000 0.911 631 N CB -0.240 37.997 38.487 -0.417 0.000 0.964 631 N HN 0.684 nan 8.380 nan 0.000 0.447 632 H N -1.608 117.459 119.070 -0.004 0.000 2.893 632 H HA 0.194 4.742 4.556 -0.014 0.000 0.270 632 H C -0.443 174.894 175.328 0.015 0.000 1.095 632 H CA -0.489 55.556 56.048 -0.005 0.000 1.186 632 H CB 0.723 30.471 29.762 -0.022 0.000 1.562 632 H HN -0.017 nan 8.280 nan 0.000 0.536 633 D N 1.845 122.318 120.400 0.122 0.000 2.325 633 D HA 0.025 4.656 4.640 -0.014 0.000 0.251 633 D C -1.632 174.723 176.300 0.092 0.000 1.196 633 D CA -1.911 52.173 54.000 0.139 0.000 0.866 633 D CB 1.652 42.614 40.800 0.270 0.000 1.101 633 D HN 0.125 nan 8.370 nan 0.000 0.476 634 P HA -0.091 nan 4.420 nan 0.000 0.221 634 P C 1.553 178.871 177.300 0.030 0.000 1.150 634 P CA 0.279 63.403 63.100 0.040 0.000 0.800 634 P CB 0.434 32.152 31.700 0.031 0.000 0.787 635 V N -0.531 119.403 119.914 0.032 0.000 2.515 635 V HA -0.162 3.949 4.120 -0.014 0.000 0.250 635 V C 2.419 178.515 176.094 0.003 0.000 1.058 635 V CA 1.473 63.778 62.300 0.009 0.000 1.064 635 V CB -1.005 30.813 31.823 -0.009 0.000 0.675 635 V HN -0.018 nan 8.190 nan 0.000 0.461 636 V N -0.120 119.813 119.914 0.032 0.000 2.358 636 V HA 0.086 4.198 4.120 -0.014 0.000 0.246 636 V C 1.817 177.917 176.094 0.009 0.000 1.047 636 V CA 1.597 63.916 62.300 0.031 0.000 1.035 636 V CB -1.239 30.649 31.823 0.109 0.000 0.658 636 V HN 0.736 nan 8.190 nan 0.000 0.452 637 G N 1.551 110.359 108.800 0.014 0.000 2.556 637 G HA2 -0.353 3.599 3.960 -0.014 0.000 0.283 637 G HA3 -0.353 3.599 3.960 -0.014 0.000 0.283 637 G C 0.288 175.188 174.900 0.000 0.000 1.177 637 G CA 0.408 45.511 45.100 0.006 0.000 0.978 637 G HN 0.679 nan 8.290 nan 0.000 0.554 638 D N 0.370 120.770 120.400 0.001 0.000 2.463 638 D HA 0.201 4.833 4.640 -0.014 0.000 0.224 638 D C 1.726 178.018 176.300 -0.012 0.000 1.174 638 D CA -0.064 53.937 54.000 0.002 0.000 0.829 638 D CB -0.062 40.752 40.800 0.023 0.000 0.993 638 D HN 0.592 nan 8.370 nan 0.000 0.497 639 R N -0.618 119.862 120.500 -0.032 0.000 2.200 639 R HA 0.212 4.543 4.340 -0.014 0.000 0.208 639 R C -0.046 176.207 176.300 -0.078 0.000 1.033 639 R CA 0.229 56.285 56.100 -0.074 0.000 1.000 639 R CB 0.375 30.612 30.300 -0.105 0.000 0.906 639 R HN 0.097 nan 8.270 nan 0.000 0.462 640 L N 0.659 121.854 121.223 -0.045 0.000 2.516 640 L HA 0.379 4.710 4.340 -0.014 0.000 0.267 640 L C -1.557 175.290 176.870 -0.039 0.000 0.957 640 L CA -0.471 54.342 54.840 -0.045 0.000 0.860 640 L CB 1.777 43.824 42.059 -0.020 0.000 1.265 640 L HN -0.185 nan 8.230 nan 0.000 0.403 641 R N 3.885 124.349 120.500 -0.060 0.000 2.621 641 R HA 0.759 5.091 4.340 -0.014 0.000 0.292 641 R C -1.600 174.647 176.300 -0.088 0.000 0.969 641 R CA -0.792 55.264 56.100 -0.073 0.000 0.887 641 R CB 2.416 32.674 30.300 -0.069 0.000 1.180 641 R HN 0.414 nan 8.270 nan 0.000 0.450 642 V N 5.014 124.874 119.914 -0.090 0.000 2.378 642 V HA 0.456 4.568 4.120 -0.014 0.000 0.288 642 V C -0.024 176.028 176.094 -0.069 0.000 1.016 642 V CA -0.709 61.540 62.300 -0.086 0.000 0.840 642 V CB 1.715 33.484 31.823 -0.090 0.000 0.994 642 V HN 0.493 nan 8.190 nan 0.000 0.431 643 I N 4.901 125.429 120.570 -0.070 0.000 2.406 643 I HA 0.393 4.554 4.170 -0.014 0.000 0.290 643 I C -0.576 175.527 176.117 -0.023 0.000 0.999 643 I CA -0.543 60.726 61.300 -0.052 0.000 1.124 643 I CB 1.754 39.697 38.000 -0.094 0.000 1.289 643 I HN 0.563 nan 8.210 nan 0.000 0.441 644 F N 7.043 126.929 119.950 -0.107 0.000 2.404 644 F HA 0.399 4.917 4.527 -0.014 0.000 0.358 644 F C -0.089 175.646 175.800 -0.109 0.000 1.120 644 F CA -0.443 57.495 58.000 -0.104 0.000 1.144 644 F CB 0.665 39.607 39.000 -0.097 0.000 1.133 644 F HN 0.270 nan 8.300 nan 0.000 0.495 645 L N 6.406 127.243 121.223 -0.642 0.000 2.407 645 L HA 0.172 4.504 4.340 -0.014 0.000 0.282 645 L C 0.418 177.004 176.870 -0.474 0.000 1.110 645 L CA -0.098 54.475 54.840 -0.446 0.000 0.863 645 L CB 0.404 42.298 42.059 -0.275 0.000 1.207 645 L HN 0.639 nan 8.230 nan 0.000 0.454 646 E N 4.250 124.311 120.200 -0.231 0.000 2.373 646 E HA -0.066 4.275 4.350 -0.014 0.000 0.267 646 E C 0.373 177.018 176.600 0.075 0.000 1.032 646 E CA -0.361 56.058 56.400 0.032 0.000 0.889 646 E CB 0.456 30.196 29.700 0.066 0.000 0.984 646 E HN 0.569 nan 8.360 nan 0.000 0.425 647 N N 2.478 121.287 118.700 0.181 0.000 2.738 647 N HA -0.273 4.458 4.740 -0.014 0.000 0.249 647 N C -1.548 174.052 175.510 0.150 0.000 1.047 647 N CA 0.549 53.706 53.050 0.178 0.000 0.707 647 N CB -1.712 36.902 38.487 0.212 0.000 0.937 647 N HN 0.509 nan 8.380 nan 0.000 0.545 648 Y N 1.628 121.929 120.300 0.002 0.000 2.717 648 Y HA 0.192 4.733 4.550 -0.015 0.000 0.330 648 Y C 1.124 177.042 175.900 0.030 0.000 1.217 648 Y CA 0.677 58.768 58.100 -0.014 0.000 1.506 648 Y CB 0.321 38.738 38.460 -0.072 0.000 1.268 648 Y HN 0.371 nan 8.280 nan 0.000 0.561 649 R N 2.509 122.645 120.500 -0.608 0.000 2.756 649 R HA 0.406 4.738 4.340 -0.014 0.000 0.273 649 R C -0.622 175.344 176.300 -0.556 0.000 1.030 649 R CA -0.593 55.264 56.100 -0.407 0.000 0.887 649 R CB 0.313 30.579 30.300 -0.056 0.000 1.274 649 R HN 0.375 nan 8.270 nan 0.000 0.461 650 V N 1.162 120.771 119.914 -0.508 0.000 2.282 650 V HA -0.295 3.816 4.120 -0.014 0.000 0.249 650 V C 2.609 178.570 176.094 -0.222 0.000 1.057 650 V CA 2.906 64.962 62.300 -0.406 0.000 1.032 650 V CB -0.790 30.735 31.823 -0.498 0.000 0.645 650 V HN 0.924 nan 8.190 nan 0.000 0.447 651 S N -0.062 115.535 115.700 -0.170 0.000 2.382 651 S HA -0.189 4.272 4.470 -0.014 0.000 0.228 651 S C 1.937 176.486 174.600 -0.085 0.000 1.027 651 S CA 1.694 59.824 58.200 -0.117 0.000 0.991 651 S CB -0.546 62.618 63.200 -0.060 0.000 0.823 651 S HN 0.383 nan 8.310 nan 0.000 0.469 652 L N 1.981 123.167 121.223 -0.063 0.000 2.109 652 L HA 0.293 4.624 4.340 -0.014 0.000 0.207 652 L C 2.724 179.619 176.870 0.042 0.000 1.086 652 L CA 1.405 56.258 54.840 0.021 0.000 0.760 652 L CB -1.295 40.838 42.059 0.123 0.000 0.910 652 L HN 0.366 nan 8.230 nan 0.000 0.437 653 A N -0.721 122.094 122.820 -0.008 0.000 1.908 653 A HA -0.250 4.061 4.320 -0.014 0.000 0.218 653 A C 2.142 179.792 177.584 0.109 0.000 1.181 653 A CA 1.899 54.012 52.037 0.127 0.000 0.627 653 A CB -0.625 18.439 19.000 0.107 0.000 0.818 653 A HN 0.589 nan 8.150 nan 0.000 0.445 654 E N -0.493 119.743 120.200 0.059 0.000 2.265 654 E HA -0.156 4.186 4.350 -0.014 0.000 0.196 654 E C 1.895 178.460 176.600 -0.058 0.000 0.996 654 E CA 1.175 57.562 56.400 -0.022 0.000 0.832 654 E CB -0.036 29.555 29.700 -0.182 0.000 0.756 654 E HN 0.635 nan 8.360 nan 0.000 0.491 655 K N -0.019 120.336 120.400 -0.075 0.000 2.141 655 K HA 0.026 4.338 4.320 -0.014 0.000 0.202 655 K C 2.147 178.600 176.600 -0.245 0.000 1.045 655 K CA 0.472 56.710 56.287 -0.082 0.000 0.971 655 K CB -0.024 32.428 32.500 -0.080 0.000 0.795 655 K HN -0.048 nan 8.250 nan 0.000 0.459 656 V N 1.878 121.558 119.914 -0.390 0.000 2.591 656 V HA -0.121 3.990 4.120 -0.014 0.000 0.249 656 V C 1.868 177.720 176.094 -0.402 0.000 1.053 656 V CA 1.205 63.028 62.300 -0.795 0.000 1.068 656 V CB -0.169 31.299 31.823 -0.591 0.000 0.689 656 V HN 0.240 nan 8.190 nan 0.000 0.462 657 I N 0.710 121.102 120.570 -0.297 0.000 2.142 657 I HA -0.117 4.045 4.170 -0.014 0.000 0.240 657 I C -0.203 175.802 176.117 -0.187 0.000 1.078 657 I CA 1.578 62.631 61.300 -0.411 0.000 1.343 657 I CB -1.572 36.035 38.000 -0.655 0.000 1.046 657 I HN 0.351 nan 8.210 nan 0.000 0.405 658 P HA -0.149 nan 4.420 nan 0.000 0.221 658 P C 1.073 178.367 177.300 -0.010 0.000 1.145 658 P CA 1.403 64.479 63.100 -0.039 0.000 0.795 658 P CB -0.012 31.673 31.700 -0.025 0.000 0.775 659 A N -1.087 121.708 122.820 -0.041 0.000 2.178 659 A HA 0.398 4.710 4.320 -0.014 0.000 0.211 659 A C 1.253 178.931 177.584 0.156 0.000 1.157 659 A CA 0.293 52.356 52.037 0.043 0.000 0.780 659 A CB -0.768 18.239 19.000 0.012 0.000 0.828 659 A HN 0.216 nan 8.150 nan 0.000 0.476 660 A N -0.008 122.905 122.820 0.156 0.000 2.354 660 A HA 0.460 4.772 4.320 -0.014 0.000 0.269 660 A C 0.348 178.081 177.584 0.247 0.000 1.109 660 A CA -0.150 52.044 52.037 0.263 0.000 0.800 660 A CB 0.331 19.580 19.000 0.415 0.000 1.045 660 A HN 0.277 nan 8.150 nan 0.000 0.489 661 D N 0.512 121.061 120.400 0.250 0.000 2.323 661 D HA 0.120 4.752 4.640 -0.014 0.000 0.218 661 D C 0.060 176.586 176.300 0.378 0.000 0.973 661 D CA 0.778 54.987 54.000 0.349 0.000 0.890 661 D CB 0.290 41.211 40.800 0.201 0.000 1.011 661 D HN 0.362 nan 8.370 nan 0.000 0.499 662 L N 0.986 122.308 121.223 0.164 0.000 2.381 662 L HA 0.291 4.622 4.340 -0.014 0.000 0.274 662 L C -0.869 175.886 176.870 -0.191 0.000 0.988 662 L CA -0.319 54.541 54.840 0.033 0.000 0.824 662 L CB 2.165 44.219 42.059 -0.008 0.000 1.263 662 L HN -0.194 nan 8.230 nan 0.000 0.410 663 S N 4.183 119.686 115.700 -0.328 0.000 2.422 663 S HA 0.320 4.781 4.470 -0.014 0.000 0.308 663 S C -0.387 173.947 174.600 -0.443 0.000 1.097 663 S CA -0.671 57.089 58.200 -0.733 0.000 1.099 663 S CB 0.582 63.323 63.200 -0.764 0.000 0.976 663 S HN 0.539 nan 8.310 nan 0.000 0.471 664 E N 4.073 124.017 120.200 -0.427 0.000 2.105 664 E HA 0.203 4.544 4.350 -0.014 0.000 0.285 664 E C -0.518 175.967 176.600 -0.192 0.000 1.055 664 E CA -0.371 55.904 56.400 -0.209 0.000 0.843 664 E CB 0.952 30.556 29.700 -0.160 0.000 1.067 664 E HN 0.596 nan 8.360 nan 0.000 0.398 665 Q N 2.790 122.536 119.800 -0.089 0.000 3.122 665 Q HA 0.271 4.603 4.340 -0.014 0.000 0.282 665 Q C 0.520 176.499 176.000 -0.035 0.000 0.947 665 Q CA -0.125 55.634 55.803 -0.074 0.000 0.812 665 Q CB 0.198 28.904 28.738 -0.053 0.000 1.333 665 Q HN 0.610 nan 8.270 nan 0.000 0.430 666 I N -1.741 118.793 120.570 -0.059 0.000 3.569 666 I HA 0.291 4.453 4.170 -0.014 0.000 0.334 666 I C 0.338 176.394 176.117 -0.101 0.000 1.570 666 I CA -0.703 60.572 61.300 -0.041 0.000 1.082 666 I CB 0.534 38.512 38.000 -0.036 0.000 1.323 666 I HN -0.008 nan 8.210 nan 0.000 0.489 667 S N 0.274 115.915 115.700 -0.100 0.000 2.579 667 S HA 0.220 4.681 4.470 -0.014 0.000 0.275 667 S C 0.575 175.150 174.600 -0.042 0.000 1.345 667 S CA -0.286 57.875 58.200 -0.065 0.000 1.031 667 S CB 0.398 63.606 63.200 0.014 0.000 0.892 667 S HN 0.384 nan 8.310 nan 0.000 0.529 668 T N 2.778 117.344 114.554 0.019 0.000 2.908 668 T HA 0.362 4.703 4.350 -0.014 0.000 0.301 668 T C 0.766 175.474 174.700 0.014 0.000 1.019 668 T CA 0.262 62.383 62.100 0.034 0.000 1.152 668 T CB -0.043 68.918 68.868 0.155 0.000 0.966 668 T HN 1.011 nan 8.240 nan 0.000 0.540 669 A N 2.690 125.487 122.820 -0.039 0.000 2.567 669 A HA 0.452 4.763 4.320 -0.014 0.000 0.240 669 A C 1.642 179.218 177.584 -0.013 0.000 1.053 669 A CA 0.287 52.297 52.037 -0.044 0.000 0.755 669 A CB -0.883 18.078 19.000 -0.065 0.000 0.978 669 A HN 1.734 nan 8.150 nan 0.000 0.507 670 G N 1.359 110.151 108.800 -0.014 0.000 2.176 670 G HA2 -0.238 3.714 3.960 -0.014 0.000 0.232 670 G HA3 -0.238 3.714 3.960 -0.014 0.000 0.232 670 G C 0.833 175.723 174.900 -0.017 0.000 0.986 670 G CA 1.139 46.233 45.100 -0.010 0.000 0.643 670 G HN 1.982 nan 8.290 nan 0.000 0.522 671 T N -2.542 112.001 114.554 -0.017 0.000 3.038 671 T HA 0.405 4.746 4.350 -0.014 0.000 0.244 671 T C 0.758 175.313 174.700 -0.241 0.000 1.016 671 T CA 1.026 63.056 62.100 -0.117 0.000 1.098 671 T CB 0.516 69.373 68.868 -0.019 0.000 0.954 671 T HN 0.272 nan 8.240 nan 0.000 0.469 672 E N 1.682 121.875 120.200 -0.012 0.000 1.996 672 E HA 0.649 4.991 4.350 -0.014 0.000 0.280 672 E C 1.195 177.749 176.600 -0.078 0.000 1.092 672 E CA 0.094 56.529 56.400 0.057 0.000 0.862 672 E CB 0.693 30.479 29.700 0.144 0.000 1.066 672 E HN 0.373 nan 8.360 nan 0.000 0.396 673 A N 3.416 126.111 122.820 -0.208 0.000 1.903 673 A HA -0.233 4.079 4.320 -0.014 0.000 0.219 673 A C 2.019 179.478 177.584 -0.209 0.000 1.191 673 A CA 2.307 54.087 52.037 -0.429 0.000 0.638 673 A CB -0.282 18.225 19.000 -0.822 0.000 0.823 673 A HN 0.607 nan 8.150 nan 0.000 0.451 674 S N -3.817 111.819 115.700 -0.107 0.000 3.770 674 S HA 0.446 4.908 4.470 -0.014 0.000 0.238 674 S C 0.770 175.354 174.600 -0.027 0.000 1.143 674 S CA 1.437 59.617 58.200 -0.033 0.000 0.869 674 S CB -0.192 63.013 63.200 0.008 0.000 1.057 674 S HN 2.276 nan 8.310 nan 0.000 0.507 675 G N 0.429 109.219 108.800 -0.016 0.000 2.728 675 G HA2 -0.087 3.864 3.960 -0.014 0.000 0.686 675 G HA3 -0.087 3.864 3.960 -0.014 0.000 0.686 675 G C 0.272 175.147 174.900 -0.042 0.000 1.337 675 G CA 0.452 45.539 45.100 -0.021 0.000 0.861 675 G HN 1.326 nan 8.290 nan 0.000 0.597 676 T N -1.756 112.759 114.554 -0.064 0.000 3.010 676 T HA 0.383 4.724 4.350 -0.014 0.000 0.253 676 T C 2.408 176.998 174.700 -0.182 0.000 0.939 676 T CA 1.253 63.283 62.100 -0.116 0.000 0.910 676 T CB 0.207 68.999 68.868 -0.127 0.000 1.226 676 T HN 1.902 nan 8.240 nan 0.000 0.508 677 G N 3.299 112.022 108.800 -0.129 0.000 2.469 677 G HA2 -0.317 3.635 3.960 -0.014 0.000 0.219 677 G HA3 -0.317 3.635 3.960 -0.014 0.000 0.219 677 G C 1.466 176.421 174.900 0.091 0.000 1.150 677 G CA 1.322 46.376 45.100 -0.077 0.000 0.763 677 G HN 0.838 nan 8.290 nan 0.000 0.561 678 N N -0.001 118.732 118.700 0.056 0.000 2.060 678 N HA -0.148 4.583 4.740 -0.014 0.000 0.195 678 N C 1.463 176.979 175.510 0.010 0.000 1.028 678 N CA 0.833 53.912 53.050 0.049 0.000 0.861 678 N CB -0.383 38.081 38.487 -0.037 0.000 1.029 678 N HN 0.353 nan 8.380 nan 0.000 0.428 682 M N 0.212 119.893 119.600 0.134 0.000 2.132 682 M HA -0.117 4.354 4.480 -0.014 0.000 0.263 682 M C 1.966 178.317 176.300 0.085 0.000 1.065 682 M CA 1.709 57.059 55.300 0.084 0.000 1.122 682 M CB -0.039 32.614 32.600 0.087 0.000 1.365 682 M HN 0.307 nan 8.290 nan 0.000 0.411 683 L N 0.815 122.087 121.223 0.082 0.000 2.275 683 L HA -0.097 4.234 4.340 -0.014 0.000 0.215 683 L C 1.344 178.256 176.870 0.071 0.000 1.119 683 L CA 1.624 56.519 54.840 0.091 0.000 0.790 683 L CB -0.603 41.520 42.059 0.106 0.000 0.919 683 L HN 0.352 nan 8.230 nan 0.000 0.443 684 N N -0.495 118.237 118.700 0.053 0.000 2.214 684 N HA 0.175 4.907 4.740 -0.014 0.000 0.214 684 N C 0.834 176.376 175.510 0.053 0.000 1.132 684 N CA 0.788 53.863 53.050 0.041 0.000 0.856 684 N CB 0.671 39.161 38.487 0.004 0.000 1.020 684 N HN 0.378 nan 8.380 nan 0.000 0.509 685 G N 0.628 109.464 108.800 0.059 0.000 2.142 685 G HA2 -0.187 3.765 3.960 -0.014 0.000 0.225 685 G HA3 -0.187 3.765 3.960 -0.014 0.000 0.225 685 G C -0.039 174.920 174.900 0.098 0.000 1.015 685 G CA 0.098 45.230 45.100 0.054 0.000 0.716 685 G HN 0.500 nan 8.290 nan 0.000 0.508 686 A N -0.191 122.696 122.820 0.113 0.000 2.312 686 A HA 0.873 5.184 4.320 -0.014 0.000 0.328 686 A C 0.477 178.049 177.584 -0.020 0.000 1.158 686 A CA -0.600 51.520 52.037 0.139 0.000 0.821 686 A CB 0.962 20.110 19.000 0.246 0.000 1.170 686 A HN 0.712 nan 8.150 nan 0.000 0.490 687 L N 0.841 122.010 121.223 -0.090 0.000 2.439 687 L HA 0.425 4.756 4.340 -0.014 0.000 0.261 687 L C 0.237 176.977 176.870 -0.217 0.000 1.153 687 L CA -0.269 54.414 54.840 -0.262 0.000 0.808 687 L CB 1.329 43.144 42.059 -0.407 0.000 1.126 687 L HN 0.679 nan 8.230 nan 0.000 0.460 688 T N 2.650 116.967 114.554 -0.395 0.000 2.786 688 T HA 0.435 4.776 4.350 -0.014 0.000 0.283 688 T C -0.370 174.270 174.700 -0.099 0.000 0.992 688 T CA -0.261 61.627 62.100 -0.353 0.000 0.954 688 T CB 1.346 69.857 68.868 -0.596 0.000 0.934 688 T HN 0.338 nan 8.240 nan 0.000 0.440 689 I N 3.207 123.786 120.570 0.015 0.000 2.315 689 I HA 0.697 4.858 4.170 -0.014 0.000 0.291 689 I C 0.159 176.438 176.117 0.270 0.000 1.006 689 I CA 0.153 61.567 61.300 0.191 0.000 1.265 689 I CB 0.297 38.342 38.000 0.076 0.000 1.387 689 I HN 0.774 nan 8.210 nan 0.000 0.475 690 G N 4.024 113.054 108.800 0.383 0.000 2.632 690 G HA2 0.419 4.370 3.960 -0.014 0.000 0.292 690 G HA3 0.419 4.370 3.960 -0.014 0.000 0.292 690 G C -0.844 173.971 174.900 -0.142 0.000 1.465 690 G CA -0.454 44.757 45.100 0.185 0.000 0.824 690 G HN 0.604 nan 8.290 nan 0.000 0.509 691 T N -0.950 113.371 114.554 -0.388 0.000 2.828 691 T HA 0.460 4.802 4.350 -0.014 0.000 0.290 691 T C 0.857 175.426 174.700 -0.218 0.000 1.019 691 T CA -0.610 61.194 62.100 -0.494 0.000 1.031 691 T CB 0.979 69.580 68.868 -0.445 0.000 1.001 691 T HN 0.277 nan 8.240 nan 0.000 0.531 692 M N 2.884 122.371 119.600 -0.189 0.000 3.442 692 M HA 0.297 4.768 4.480 -0.014 0.000 0.232 692 M C -0.395 175.847 176.300 -0.096 0.000 1.508 692 M CA 0.022 55.251 55.300 -0.118 0.000 1.647 692 M CB -1.775 30.766 32.600 -0.099 0.000 1.126 692 M HN 0.729 nan 8.290 nan 0.000 0.557 693 D N 0.007 120.355 120.400 -0.086 0.000 2.671 693 D HA 0.665 5.297 4.640 -0.014 0.000 0.232 693 D C 0.710 176.983 176.300 -0.044 0.000 1.114 693 D CA 0.730 54.695 54.000 -0.058 0.000 0.858 693 D CB 1.729 42.496 40.800 -0.056 0.000 1.544 693 D HN 0.603 nan 8.370 nan 0.000 0.471 694 G N 1.993 110.777 108.800 -0.026 0.000 2.634 694 G HA2 -0.257 3.695 3.960 -0.014 0.000 0.309 694 G HA3 -0.257 3.695 3.960 -0.014 0.000 0.309 694 G C 1.016 175.904 174.900 -0.020 0.000 1.265 694 G CA 1.076 46.165 45.100 -0.018 0.000 0.998 694 G HN 1.077 nan 8.290 nan 0.000 0.551 695 A N -0.242 122.558 122.820 -0.034 0.000 2.206 695 A HA 0.143 4.455 4.320 -0.014 0.000 0.211 695 A C 2.086 179.591 177.584 -0.133 0.000 1.158 695 A CA 1.714 53.721 52.037 -0.051 0.000 0.761 695 A CB -0.419 18.537 19.000 -0.073 0.000 0.801 695 A HN 0.613 nan 8.150 nan 0.000 0.473 696 N N 0.644 119.278 118.700 -0.109 0.000 2.094 696 N HA -0.163 4.569 4.740 -0.014 0.000 0.191 696 N C 1.614 177.000 175.510 -0.207 0.000 1.023 696 N CA 1.642 54.626 53.050 -0.111 0.000 0.857 696 N CB -0.652 37.815 38.487 -0.034 0.000 1.013 696 N HN 0.286 nan 8.380 nan 0.000 0.426 697 V N 1.307 121.139 119.914 -0.136 0.000 2.287 697 V HA -0.228 3.883 4.120 -0.014 0.000 0.248 697 V C 2.001 178.018 176.094 -0.129 0.000 1.053 697 V CA 1.754 63.975 62.300 -0.132 0.000 1.027 697 V CB -0.510 31.270 31.823 -0.072 0.000 0.646 697 V HN 0.361 nan 8.190 nan 0.000 0.447 698 E N -0.652 119.525 120.200 -0.037 0.000 2.152 698 E HA -0.135 4.207 4.350 -0.014 0.000 0.192 698 E C 2.216 178.921 176.600 0.175 0.000 0.983 698 E CA 1.049 57.507 56.400 0.097 0.000 0.818 698 E CB -0.195 29.656 29.700 0.252 0.000 0.758 698 E HN 0.537 nan 8.360 nan 0.000 0.467 699 M N 0.511 120.089 119.600 -0.037 0.000 2.086 699 M HA -0.164 4.307 4.480 -0.014 0.000 0.261 699 M C 2.475 178.430 176.300 -0.575 0.000 1.067 699 M CA 1.598 56.782 55.300 -0.195 0.000 1.116 699 M CB -0.194 32.201 32.600 -0.341 0.000 1.348 699 M HN 0.148 nan 8.290 nan 0.000 0.407 700 A N -0.187 122.011 122.820 -1.036 0.000 1.930 700 A HA -0.211 4.101 4.320 -0.014 0.000 0.217 700 A C 1.978 179.327 177.584 -0.391 0.000 1.175 700 A CA 1.911 53.307 52.037 -1.068 0.000 0.627 700 A CB -0.785 17.737 19.000 -0.796 0.000 0.815 700 A HN 0.581 nan 8.150 nan 0.000 0.443 701 E N -0.347 119.710 120.200 -0.238 0.000 2.077 701 E HA -0.223 4.118 4.350 -0.014 0.000 0.193 701 E C 1.806 178.368 176.600 -0.062 0.000 0.989 701 E CA 1.328 57.662 56.400 -0.111 0.000 0.800 701 E CB -0.075 29.583 29.700 -0.069 0.000 0.746 701 E HN 0.547 nan 8.360 nan 0.000 0.452 702 E N 0.153 120.341 120.200 -0.019 0.000 2.047 702 E HA -0.142 4.200 4.350 -0.014 0.000 0.191 702 E C 1.914 178.533 176.600 0.033 0.000 0.987 702 E CA 1.188 57.603 56.400 0.024 0.000 0.799 702 E CB -0.265 29.498 29.700 0.106 0.000 0.752 702 E HN 0.375 nan 8.360 nan 0.000 0.449 703 A N 0.415 123.263 122.820 0.047 0.000 2.072 703 A HA 0.300 4.611 4.320 -0.014 0.000 0.216 703 A C 1.077 178.689 177.584 0.046 0.000 1.156 703 A CA 1.153 53.247 52.037 0.096 0.000 0.701 703 A CB -0.119 19.034 19.000 0.255 0.000 0.816 703 A HN 0.271 nan 8.150 nan 0.000 0.458 704 G N -0.655 108.140 108.800 -0.008 0.000 3.055 704 G HA2 -0.103 3.848 3.960 -0.014 0.000 0.686 704 G HA3 -0.103 3.848 3.960 -0.014 0.000 0.686 704 G C -0.001 174.888 174.900 -0.018 0.000 1.087 704 G CA 0.011 45.099 45.100 -0.020 0.000 0.779 704 G HN 0.256 nan 8.290 nan 0.000 0.599 705 E N 1.030 121.203 120.200 -0.044 0.000 2.209 705 E HA -0.169 4.172 4.350 -0.014 0.000 0.196 705 E C 2.096 178.684 176.600 -0.020 0.000 0.993 705 E CA 1.747 58.127 56.400 -0.033 0.000 0.819 705 E CB 0.074 29.750 29.700 -0.039 0.000 0.745 705 E HN 0.783 nan 8.360 nan 0.000 0.477 706 E N 0.825 121.001 120.200 -0.040 0.000 2.204 706 E HA -0.127 4.214 4.350 -0.014 0.000 0.195 706 E C 1.112 177.622 176.600 -0.150 0.000 0.990 706 E CA 0.788 57.142 56.400 -0.077 0.000 0.821 706 E CB -0.046 29.622 29.700 -0.054 0.000 0.750 706 E HN 0.162 nan 8.360 nan 0.000 0.477 707 N N -0.470 118.177 118.700 -0.089 0.000 2.235 707 N HA 0.131 4.862 4.740 -0.014 0.000 0.209 707 N C -0.882 174.541 175.510 -0.145 0.000 1.122 707 N CA 0.127 53.094 53.050 -0.138 0.000 0.845 707 N CB 0.403 38.871 38.487 -0.032 0.000 1.004 707 N HN 0.039 nan 8.380 nan 0.000 0.499 708 F N -0.392 119.340 119.950 -0.362 0.000 2.563 708 F HA 0.411 4.928 4.527 -0.015 0.000 0.316 708 F C -0.504 175.059 175.800 -0.394 0.000 1.076 708 F CA -1.105 56.716 58.000 -0.299 0.000 0.921 708 F CB 1.249 40.171 39.000 -0.129 0.000 1.209 708 F HN -0.213 nan 8.300 nan 0.000 0.462 709 F N 4.602 124.579 119.950 0.045 0.000 2.359 709 F HA 0.421 4.939 4.527 -0.014 0.000 0.355 709 F C -0.021 175.911 175.800 0.219 0.000 1.132 709 F CA -0.401 57.652 58.000 0.089 0.000 1.246 709 F CB -0.089 38.916 39.000 0.007 0.000 1.569 709 F HN 0.072 nan 8.300 nan 0.000 0.561 710 I N 3.927 124.689 120.570 0.320 0.000 2.428 710 I HA 0.358 4.520 4.170 -0.014 0.000 0.289 710 I C -0.249 176.047 176.117 0.298 0.000 1.019 710 I CA -0.561 60.888 61.300 0.248 0.000 1.351 710 I CB 0.800 38.871 38.000 0.118 0.000 1.412 710 I HN 0.345 nan 8.210 nan 0.000 0.513 711 F N 3.715 123.727 119.950 0.103 0.000 2.685 711 F HA 0.920 5.438 4.527 -0.015 0.000 0.315 711 F C -0.023 175.814 175.800 0.061 0.000 1.126 711 F CA -0.581 57.471 58.000 0.087 0.000 0.950 711 F CB 1.000 40.066 39.000 0.111 0.000 1.360 711 F HN 0.760 nan 8.300 nan 0.000 0.469 712 G N 1.065 109.933 108.800 0.114 0.000 2.757 712 G HA2 -0.070 3.881 3.960 -0.014 0.000 0.638 712 G HA3 -0.070 3.881 3.960 -0.014 0.000 0.638 712 G C -0.896 173.976 174.900 -0.048 0.000 1.344 712 G CA -0.637 44.468 45.100 0.008 0.000 0.855 712 G HN 0.962 nan 8.290 nan 0.000 0.537 713 M N 0.922 120.504 119.600 -0.029 0.000 2.249 713 M HA 0.211 4.683 4.480 -0.014 0.000 0.340 713 M C 1.243 177.506 176.300 -0.063 0.000 1.166 713 M CA 0.069 55.357 55.300 -0.019 0.000 1.115 713 M CB 0.265 32.863 32.600 -0.004 0.000 1.606 713 M HN 0.514 nan 8.290 nan 0.000 0.448 714 R N 1.760 122.238 120.500 -0.038 0.000 2.546 714 R HA 0.240 4.571 4.340 -0.014 0.000 0.266 714 R C 1.247 177.527 176.300 -0.034 0.000 1.086 714 R CA -0.531 55.542 56.100 -0.045 0.000 1.160 714 R CB -0.044 30.237 30.300 -0.032 0.000 1.138 714 R HN 0.585 nan 8.270 nan 0.000 0.567 715 V N 1.533 121.426 119.914 -0.035 0.000 2.317 715 V HA -0.300 3.812 4.120 -0.014 0.000 0.251 715 V C 1.901 177.984 176.094 -0.018 0.000 1.065 715 V CA 2.168 64.451 62.300 -0.028 0.000 1.049 715 V CB -0.485 31.320 31.823 -0.030 0.000 0.651 715 V HN 0.646 nan 8.190 nan 0.000 0.450 716 E N -0.061 120.130 120.200 -0.015 0.000 2.150 716 E HA -0.169 4.172 4.350 -0.014 0.000 0.193 716 E C 1.955 178.559 176.600 0.006 0.000 0.985 716 E CA 1.260 57.657 56.400 -0.006 0.000 0.814 716 E CB -0.315 29.382 29.700 -0.005 0.000 0.752 716 E HN 0.633 nan 8.360 nan 0.000 0.466 717 D N -0.204 120.201 120.400 0.009 0.000 2.149 717 D HA -0.090 4.542 4.640 -0.014 0.000 0.201 717 D C 1.957 178.274 176.300 0.029 0.000 0.972 717 D CA 0.742 54.758 54.000 0.027 0.000 0.835 717 D CB -0.046 40.773 40.800 0.032 0.000 0.966 717 D HN 0.063 nan 8.370 nan 0.000 0.476 718 V N 1.856 121.775 119.914 0.007 0.000 2.343 718 V HA -0.208 3.904 4.120 -0.014 0.000 0.247 718 V C 1.971 178.068 176.094 0.004 0.000 1.051 718 V CA 1.650 63.947 62.300 -0.005 0.000 1.036 718 V CB -0.385 31.423 31.823 -0.024 0.000 0.654 718 V HN 0.033 nan 8.190 nan 0.000 0.451 719 D N -0.071 120.331 120.400 0.003 0.000 2.123 719 D HA -0.160 4.471 4.640 -0.014 0.000 0.196 719 D C 2.416 178.729 176.300 0.022 0.000 0.992 719 D CA 1.281 55.285 54.000 0.006 0.000 0.833 719 D CB -0.256 40.543 40.800 -0.001 0.000 0.954 719 D HN 0.340 nan 8.370 nan 0.000 0.455 720 R N 0.054 120.572 120.500 0.030 0.000 2.096 720 R HA -0.018 4.313 4.340 -0.014 0.000 0.235 720 R C 2.483 178.822 176.300 0.064 0.000 1.127 720 R CA 0.481 56.607 56.100 0.043 0.000 0.968 720 R CB -0.289 30.038 30.300 0.045 0.000 0.861 720 R HN 0.198 nan 8.270 nan 0.000 0.440 721 L N 0.502 121.773 121.223 0.080 0.000 2.056 721 L HA -0.194 4.138 4.340 -0.014 0.000 0.207 721 L C 1.455 178.397 176.870 0.120 0.000 1.078 721 L CA 1.345 56.262 54.840 0.128 0.000 0.749 721 L CB -0.264 41.890 42.059 0.157 0.000 0.901 721 L HN 0.221 nan 8.230 nan 0.000 0.433 722 D N -0.434 120.010 120.400 0.072 0.000 2.123 722 D HA -0.224 4.407 4.640 -0.014 0.000 0.196 722 D C 2.208 178.541 176.300 0.055 0.000 0.992 722 D CA 1.151 55.185 54.000 0.057 0.000 0.833 722 D CB -0.050 40.761 40.800 0.019 0.000 0.954 722 D HN 0.418 nan 8.370 nan 0.000 0.455 723 Q N -0.067 119.761 119.800 0.047 0.000 2.050 723 Q HA -0.145 4.186 4.340 -0.014 0.000 0.202 723 Q C 2.173 178.201 176.000 0.046 0.000 0.980 723 Q CA 1.301 57.127 55.803 0.039 0.000 0.840 723 Q CB -0.056 28.701 28.738 0.032 0.000 0.898 723 Q HN 0.380 nan 8.270 nan 0.000 0.424 724 R N -0.353 120.182 120.500 0.058 0.000 2.276 724 R HA 0.202 4.534 4.340 -0.014 0.000 0.196 724 R C 0.217 176.557 176.300 0.067 0.000 0.961 724 R CA 0.680 56.815 56.100 0.057 0.000 1.024 724 R CB 0.227 30.562 30.300 0.058 0.000 0.940 724 R HN 0.101 nan 8.270 nan 0.000 0.480 725 G N 1.224 110.078 108.800 0.090 0.000 3.338 725 G HA2 -0.270 3.681 3.960 -0.014 0.000 0.686 725 G HA3 -0.270 3.681 3.960 -0.014 0.000 0.686 725 G C -1.330 173.666 174.900 0.161 0.000 1.053 725 G CA -0.424 44.740 45.100 0.106 0.000 0.852 725 G HN 0.345 nan 8.290 nan 0.000 0.545 726 Y N 3.133 123.472 120.300 0.065 0.000 2.480 726 Y HA 0.566 5.108 4.550 -0.014 0.000 0.341 726 Y C 0.308 176.274 175.900 0.110 0.000 1.031 726 Y CA -1.035 57.126 58.100 0.101 0.000 1.295 726 Y CB 1.048 39.550 38.460 0.069 0.000 1.162 726 Y HN 0.646 nan 8.280 nan 0.000 0.523 727 N N 4.843 123.349 118.700 -0.324 0.000 2.558 727 N HA 0.373 5.104 4.740 -0.014 0.000 0.242 727 N C 0.265 175.532 175.510 -0.405 0.000 0.979 727 N CA 0.233 53.094 53.050 -0.315 0.000 0.931 727 N CB 1.250 39.671 38.487 -0.110 0.000 1.122 727 N HN 0.760 nan 8.380 nan 0.000 0.508 728 A N 2.924 125.416 122.820 -0.547 0.000 1.972 728 A HA -0.179 4.133 4.320 -0.014 0.000 0.219 728 A C 1.878 179.599 177.584 0.228 0.000 1.169 728 A CA 1.404 53.331 52.037 -0.183 0.000 0.635 728 A CB -0.508 18.281 19.000 -0.351 0.000 0.810 728 A HN 0.721 nan 8.150 nan 0.000 0.446 729 Q N 0.284 120.118 119.800 0.057 0.000 2.135 729 Q HA -0.236 4.095 4.340 -0.014 0.000 0.204 729 Q C 1.885 177.973 176.000 0.147 0.000 0.981 729 Q CA 2.273 58.137 55.803 0.101 0.000 0.856 729 Q CB -0.358 28.393 28.738 0.022 0.000 0.902 729 Q HN 0.776 nan 8.270 nan 0.000 0.425 730 E N -1.279 118.939 120.200 0.030 0.000 2.049 730 E HA -0.263 4.078 4.350 -0.014 0.000 0.198 730 E C 1.634 178.172 176.600 -0.104 0.000 1.007 730 E CA 1.681 58.022 56.400 -0.099 0.000 0.809 730 E CB -0.290 29.243 29.700 -0.279 0.000 0.749 730 E HN 0.603 nan 8.360 nan 0.000 0.450 731 Y N -1.005 119.372 120.300 0.127 0.000 2.181 731 Y HA -0.227 4.314 4.550 -0.014 0.000 0.288 731 Y C 2.300 178.208 175.900 0.013 0.000 1.146 731 Y CA 1.599 59.761 58.100 0.103 0.000 1.164 731 Y CB -0.790 37.785 38.460 0.192 0.000 0.982 731 Y HN 0.245 nan 8.280 nan 0.000 0.515 732 Y N 1.411 121.763 120.300 0.086 0.000 2.114 732 Y HA -0.312 4.229 4.550 -0.014 0.000 0.282 732 Y C 1.933 177.811 175.900 -0.036 0.000 1.165 732 Y CA 1.996 60.069 58.100 -0.043 0.000 1.148 732 Y CB -0.436 38.062 38.460 0.062 0.000 0.972 732 Y HN 0.093 nan 8.280 nan 0.000 0.504 733 D N -0.396 120.105 120.400 0.169 0.000 2.178 733 D HA -0.110 4.521 4.640 -0.014 0.000 0.202 733 D C 1.827 178.107 176.300 -0.034 0.000 0.974 733 D CA 1.292 55.331 54.000 0.065 0.000 0.841 733 D CB -0.115 40.740 40.800 0.091 0.000 0.953 733 D HN 0.490 nan 8.370 nan 0.000 0.478 734 R N -0.373 120.106 120.500 -0.034 0.000 2.365 734 R HA 0.295 4.626 4.340 -0.014 0.000 0.223 734 R C 0.271 176.553 176.300 -0.031 0.000 0.899 734 R CA 0.032 56.111 56.100 -0.035 0.000 1.059 734 R CB 1.238 31.517 30.300 -0.036 0.000 1.086 734 R HN 0.132 nan 8.270 nan 0.000 0.522 735 I N 2.028 122.559 120.570 -0.064 0.000 2.437 735 I HA 0.231 4.392 4.170 -0.014 0.000 0.279 735 I C -1.980 174.040 176.117 -0.162 0.000 1.028 735 I CA -2.335 58.927 61.300 -0.062 0.000 1.142 735 I CB 2.237 40.231 38.000 -0.009 0.000 1.266 735 I HN -0.284 nan 8.210 nan 0.000 0.461 736 P HA -0.137 nan 4.420 nan 0.000 0.217 736 P C 1.177 178.379 177.300 -0.164 0.000 1.150 736 P CA 1.287 64.292 63.100 -0.157 0.000 0.832 736 P CB 0.320 31.961 31.700 -0.097 0.000 0.787 737 E N -0.928 119.212 120.200 -0.100 0.000 2.110 737 E HA -0.165 4.176 4.350 -0.014 0.000 0.193 737 E C 1.848 178.342 176.600 -0.178 0.000 0.988 737 E CA 0.712 57.069 56.400 -0.073 0.000 0.804 737 E CB -0.578 29.152 29.700 0.050 0.000 0.745 737 E HN 0.117 nan 8.360 nan 0.000 0.458 738 L N 1.184 122.205 121.223 -0.336 0.000 2.056 738 L HA -0.126 4.206 4.340 -0.014 0.000 0.207 738 L C 2.202 178.795 176.870 -0.463 0.000 1.078 738 L CA 1.546 56.022 54.840 -0.607 0.000 0.749 738 L CB -0.197 41.346 42.059 -0.860 0.000 0.901 738 L HN -0.070 nan 8.230 nan 0.000 0.433 739 R N -0.784 119.412 120.500 -0.507 0.000 2.094 739 R HA -0.266 4.066 4.340 -0.014 0.000 0.239 739 R C 2.310 178.441 176.300 -0.281 0.000 1.137 739 R CA 2.159 57.874 56.100 -0.641 0.000 0.943 739 R CB -0.530 29.345 30.300 -0.708 0.000 0.850 739 R HN 0.569 nan 8.270 nan 0.000 0.433 740 Q N 0.716 120.387 119.800 -0.216 0.000 2.077 740 Q HA -0.202 4.129 4.340 -0.014 0.000 0.206 740 Q C 2.103 178.054 176.000 -0.081 0.000 0.989 740 Q CA 1.759 57.483 55.803 -0.133 0.000 0.853 740 Q CB -0.126 28.534 28.738 -0.130 0.000 0.907 740 Q HN 0.381 nan 8.270 nan 0.000 0.418 741 I N 0.560 121.081 120.570 -0.082 0.000 2.179 741 I HA -0.300 3.862 4.170 -0.014 0.000 0.242 741 I C 2.157 178.307 176.117 0.056 0.000 1.088 741 I CA 0.721 62.017 61.300 -0.007 0.000 1.357 741 I CB -0.339 37.626 38.000 -0.059 0.000 1.051 741 I HN 0.304 nan 8.210 nan 0.000 0.409 742 I N 0.797 121.399 120.570 0.052 0.000 2.226 742 I HA -0.238 3.923 4.170 -0.014 0.000 0.245 742 I C 2.465 178.692 176.117 0.184 0.000 1.100 742 I CA 1.668 63.069 61.300 0.170 0.000 1.374 742 I CB -1.305 36.893 38.000 0.330 0.000 1.057 742 I HN 0.346 nan 8.210 nan 0.000 0.413 743 E N 0.270 120.559 120.200 0.150 0.000 2.106 743 E HA -0.223 4.118 4.350 -0.014 0.000 0.192 743 E C 2.177 178.845 176.600 0.112 0.000 0.984 743 E CA 0.840 57.316 56.400 0.127 0.000 0.806 743 E CB -0.096 29.650 29.700 0.077 0.000 0.750 743 E HN 0.570 nan 8.360 nan 0.000 0.458 744 Q N 0.449 120.302 119.800 0.087 0.000 2.084 744 Q HA -0.142 4.190 4.340 -0.014 0.000 0.202 744 Q C 2.346 178.539 176.000 0.321 0.000 0.978 744 Q CA 1.035 56.910 55.803 0.120 0.000 0.844 744 Q CB -0.047 28.704 28.738 0.023 0.000 0.898 744 Q HN 0.303 nan 8.270 nan 0.000 0.426 745 L N -0.080 121.339 121.223 0.327 0.000 2.017 745 L HA -0.197 4.135 4.340 -0.014 0.000 0.208 745 L C 2.461 179.520 176.870 0.315 0.000 1.073 745 L CA 1.042 56.092 54.840 0.349 0.000 0.745 745 L CB -0.391 41.789 42.059 0.202 0.000 0.894 745 L HN 0.149 nan 8.230 nan 0.000 0.432 746 S N -0.267 115.571 115.700 0.229 0.000 2.368 746 S HA -0.154 4.307 4.470 -0.014 0.000 0.224 746 S C 2.107 176.808 174.600 0.170 0.000 1.029 746 S CA 1.538 59.850 58.200 0.186 0.000 0.988 746 S CB -0.239 63.050 63.200 0.149 0.000 0.838 746 S HN 0.608 nan 8.310 nan 0.000 0.462 747 S N 0.458 116.260 115.700 0.170 0.000 2.489 747 S HA 0.300 4.762 4.470 -0.014 0.000 0.228 747 S C 1.447 176.138 174.600 0.150 0.000 0.995 747 S CA 0.714 58.999 58.200 0.142 0.000 0.934 747 S CB -0.145 63.131 63.200 0.126 0.000 0.771 747 S HN 0.855 nan 8.310 nan 0.000 0.522 748 G N 0.569 109.491 108.800 0.204 0.000 2.141 748 G HA2 -0.262 3.690 3.960 -0.014 0.000 0.195 748 G HA3 -0.262 3.690 3.960 -0.014 0.000 0.195 748 G C 0.134 175.129 174.900 0.158 0.000 1.012 748 G CA 0.083 45.293 45.100 0.183 0.000 0.696 748 G HN 0.495 nan 8.290 nan 0.000 0.508 749 F N 0.236 120.194 119.950 0.013 0.000 2.161 749 F HA 0.171 4.689 4.527 -0.014 0.000 0.300 749 F C 1.912 177.525 175.800 -0.311 0.000 1.089 749 F CA 1.987 59.871 58.000 -0.194 0.000 1.282 749 F CB -0.032 38.768 39.000 -0.334 0.000 1.010 749 F HN 0.178 nan 8.300 nan 0.000 0.485 750 F N -0.201 119.871 119.950 0.204 0.000 2.693 750 F HA 0.194 4.712 4.527 -0.014 0.000 0.303 750 F C 0.567 176.470 175.800 0.172 0.000 1.097 750 F CA 0.249 58.323 58.000 0.123 0.000 1.330 750 F CB -0.140 38.951 39.000 0.152 0.000 1.067 750 F HN -0.033 nan 8.300 nan 0.000 0.565 751 S N -1.862 113.977 115.700 0.231 0.000 2.564 751 S HA 0.304 4.765 4.470 -0.014 0.000 0.141 751 S C -2.544 172.070 174.600 0.023 0.000 1.474 751 S CA -0.968 57.292 58.200 0.099 0.000 1.236 751 S CB 0.949 64.153 63.200 0.007 0.000 1.481 751 S HN -0.181 nan 8.310 nan 0.000 0.397 752 P HA 0.022 nan 4.420 nan 0.000 0.219 752 P C 1.033 178.323 177.300 -0.018 0.000 1.150 752 P CA 1.011 64.091 63.100 -0.034 0.000 0.814 752 P CB 0.106 31.760 31.700 -0.076 0.000 0.787 753 K N -1.041 119.348 120.400 -0.019 0.000 2.305 753 K HA 0.028 4.339 4.320 -0.014 0.000 0.199 753 K C 0.734 177.329 176.600 -0.008 0.000 1.047 753 K CA 0.766 57.045 56.287 -0.012 0.000 0.976 753 K CB 0.089 32.583 32.500 -0.011 0.000 0.765 753 K HN 0.254 nan 8.250 nan 0.000 0.474 754 Q N 0.220 120.012 119.800 -0.014 0.000 3.064 754 Q HA 0.143 4.474 4.340 -0.014 0.000 0.258 754 Q C -2.231 173.755 176.000 -0.023 0.000 0.972 754 Q CA -1.582 54.208 55.803 -0.022 0.000 0.761 754 Q CB 1.410 30.126 28.738 -0.037 0.000 1.281 754 Q HN -0.030 nan 8.270 nan 0.000 0.455 755 P HA -0.219 nan 4.420 nan 0.000 0.218 755 P C 0.556 177.886 177.300 0.050 0.000 1.146 755 P CA 1.520 64.644 63.100 0.040 0.000 0.813 755 P CB 0.261 31.988 31.700 0.044 0.000 0.778 756 D N -1.060 119.354 120.400 0.022 0.000 2.342 756 D HA -0.020 4.611 4.640 -0.014 0.000 0.221 756 D C 1.692 177.985 176.300 -0.011 0.000 1.101 756 D CA -0.324 53.697 54.000 0.034 0.000 0.837 756 D CB -0.690 40.133 40.800 0.038 0.000 0.938 756 D HN 0.004 nan 8.370 nan 0.000 0.508 757 L N -0.058 121.087 121.223 -0.130 0.000 2.081 757 L HA -0.062 4.269 4.340 -0.014 0.000 0.212 757 L C 1.176 177.828 176.870 -0.363 0.000 1.080 757 L CA 1.666 56.306 54.840 -0.333 0.000 0.754 757 L CB -0.597 41.064 42.059 -0.663 0.000 0.893 757 L HN -0.007 nan 8.230 nan 0.000 0.433 758 F N -0.690 119.317 119.950 0.095 0.000 2.668 758 F HA 0.134 4.652 4.527 -0.014 0.000 0.297 758 F C 1.849 177.700 175.800 0.086 0.000 1.124 758 F CA -0.190 57.855 58.000 0.075 0.000 1.353 758 F CB -0.293 38.739 39.000 0.052 0.000 0.992 758 F HN 0.092 nan 8.300 nan 0.000 0.524 759 K N -0.241 120.277 120.400 0.195 0.000 2.063 759 K HA -0.204 4.108 4.320 -0.014 0.000 0.208 759 K C 0.953 177.654 176.600 0.169 0.000 1.048 759 K CA 2.105 58.490 56.287 0.162 0.000 0.928 759 K CB -0.309 32.264 32.500 0.121 0.000 0.713 759 K HN 0.069 nan 8.250 nan 0.000 0.442 760 D N 1.270 121.785 120.400 0.192 0.000 2.117 760 D HA -0.098 4.534 4.640 -0.014 0.000 0.197 760 D C 2.067 178.469 176.300 0.171 0.000 0.987 760 D CA 1.202 55.328 54.000 0.210 0.000 0.829 760 D CB -0.183 40.785 40.800 0.280 0.000 0.961 760 D HN 0.303 nan 8.370 nan 0.000 0.460 761 I N 0.420 121.092 120.570 0.170 0.000 2.142 761 I HA -0.236 3.925 4.170 -0.014 0.000 0.240 761 I C 2.413 178.558 176.117 0.046 0.000 1.078 761 I CA 0.698 62.059 61.300 0.100 0.000 1.343 761 I CB -0.261 37.801 38.000 0.102 0.000 1.046 761 I HN -0.100 nan 8.210 nan 0.000 0.405 762 V N 1.106 121.072 119.914 0.087 0.000 2.343 762 V HA -0.305 3.807 4.120 -0.014 0.000 0.247 762 V C 2.225 178.300 176.094 -0.032 0.000 1.051 762 V CA 2.409 64.741 62.300 0.053 0.000 1.036 762 V CB -1.006 30.878 31.823 0.103 0.000 0.654 762 V HN 0.478 nan 8.190 nan 0.000 0.451 763 N N -0.142 118.574 118.700 0.027 0.000 2.084 763 N HA -0.212 4.519 4.740 -0.014 0.000 0.190 763 N C 1.860 177.279 175.510 -0.152 0.000 1.030 763 N CA 1.830 54.915 53.050 0.059 0.000 0.849 763 N CB -0.284 38.330 38.487 0.212 0.000 1.012 763 N HN 0.326 nan 8.380 nan 0.000 0.423 764 M N -0.175 119.253 119.600 -0.286 0.000 2.086 764 M HA -0.116 4.355 4.480 -0.014 0.000 0.261 764 M C 1.458 177.464 176.300 -0.490 0.000 1.067 764 M CA 1.316 56.171 55.300 -0.742 0.000 1.116 764 M CB -0.674 31.730 32.600 -0.326 0.000 1.348 764 M HN 0.215 nan 8.290 nan 0.000 0.407 765 L N 0.716 121.742 121.223 -0.328 0.000 2.042 765 L HA -0.229 4.102 4.340 -0.014 0.000 0.210 765 L C 2.482 178.974 176.870 -0.630 0.000 1.076 765 L CA 1.740 56.308 54.840 -0.454 0.000 0.749 765 L CB -1.142 40.727 42.059 -0.317 0.000 0.893 765 L HN 0.357 nan 8.230 nan 0.000 0.432 766 M N -2.033 117.261 119.600 -0.510 0.000 2.288 766 M HA -0.070 4.402 4.480 -0.014 0.000 0.266 766 M C 1.805 177.718 176.300 -0.645 0.000 1.072 766 M CA 1.392 56.315 55.300 -0.627 0.000 1.132 766 M CB -0.735 31.385 32.600 -0.799 0.000 1.386 766 M HN 0.343 nan 8.290 nan 0.000 0.432 767 H N -2.141 116.847 119.070 -0.136 0.000 2.926 767 H HA 0.188 4.736 4.556 -0.014 0.000 0.249 767 H C 0.216 175.590 175.328 0.076 0.000 0.963 767 H CA 0.685 56.725 56.048 -0.013 0.000 1.158 767 H CB 0.175 29.988 29.762 0.085 0.000 1.445 767 H HN 0.577 nan 8.280 nan 0.000 0.452 768 H N -1.291 117.836 119.070 0.095 0.000 2.901 768 H HA 0.292 4.839 4.556 -0.014 0.000 0.227 768 H C -1.080 174.274 175.328 0.043 0.000 1.390 768 H CA -0.590 55.503 56.048 0.075 0.000 1.120 768 H CB 0.047 29.855 29.762 0.078 0.000 2.131 768 H HN -0.137 nan 8.280 nan 0.000 0.549 769 D N 1.469 121.863 120.400 -0.011 0.000 2.422 769 D HA 0.116 4.747 4.640 -0.014 0.000 0.227 769 D C 0.905 177.141 176.300 -0.108 0.000 1.190 769 D CA -0.390 53.585 54.000 -0.041 0.000 0.905 769 D CB 0.671 41.432 40.800 -0.065 0.000 1.034 769 D HN 0.462 nan 8.370 nan 0.000 0.507 770 R N 2.202 122.546 120.500 -0.261 0.000 2.241 770 R HA -0.071 4.260 4.340 -0.014 0.000 0.224 770 R C 0.590 176.385 176.300 -0.842 0.000 1.101 770 R CA 0.939 56.667 56.100 -0.620 0.000 0.995 770 R CB 0.064 29.799 30.300 -0.943 0.000 0.870 770 R HN 0.420 nan 8.270 nan 0.000 0.463 771 F N 0.160 120.059 119.950 -0.084 0.000 2.661 771 F HA 0.270 4.788 4.527 -0.014 0.000 0.306 771 F C 0.067 175.740 175.800 -0.212 0.000 1.094 771 F CA -0.671 57.268 58.000 -0.102 0.000 1.254 771 F CB 0.237 39.237 39.000 -0.000 0.000 1.040 771 F HN -0.253 nan 8.300 nan 0.000 0.562 772 K N -0.325 119.875 120.400 -0.333 0.000 3.148 772 K HA -0.180 4.131 4.320 -0.014 0.000 0.267 772 K C 1.009 177.494 176.600 -0.192 0.000 0.996 772 K CA 0.196 56.099 56.287 -0.639 0.000 0.737 772 K CB -1.880 30.166 32.500 -0.756 0.000 1.308 772 K HN 0.213 nan 8.250 nan 0.000 0.470 773 V N 0.053 119.944 119.914 -0.038 0.000 2.252 773 V HA -0.311 3.801 4.120 -0.014 0.000 0.249 773 V C 1.961 178.212 176.094 0.263 0.000 1.056 773 V CA 2.451 64.814 62.300 0.106 0.000 1.022 773 V CB -0.491 31.404 31.823 0.120 0.000 0.641 773 V HN 0.504 nan 8.190 nan 0.000 0.445 774 F N 0.112 120.070 119.950 0.013 0.000 2.171 774 F HA -0.205 4.313 4.527 -0.014 0.000 0.300 774 F C 2.505 178.093 175.800 -0.354 0.000 1.090 774 F CA 0.699 58.653 58.000 -0.077 0.000 1.293 774 F CB -0.392 38.587 39.000 -0.034 0.000 1.013 774 F HN 0.197 nan 8.300 nan 0.000 0.486 775 A N -0.555 122.100 122.820 -0.276 0.000 2.019 775 A HA -0.193 4.118 4.320 -0.014 0.000 0.219 775 A C 1.484 179.048 177.584 -0.035 0.000 1.164 775 A CA 1.877 53.650 52.037 -0.440 0.000 0.644 775 A CB -0.452 18.457 19.000 -0.151 0.000 0.805 775 A HN 0.239 nan 8.150 nan 0.000 0.449 776 D N -2.777 117.669 120.400 0.078 0.000 2.369 776 D HA 0.080 4.711 4.640 -0.014 0.000 0.211 776 D C 1.191 177.647 176.300 0.261 0.000 1.077 776 D CA 0.016 54.141 54.000 0.208 0.000 0.842 776 D CB -0.115 40.828 40.800 0.238 0.000 0.947 776 D HN 0.595 nan 8.370 nan 0.000 0.509 777 Y N 2.124 122.493 120.300 0.116 0.000 2.097 777 Y HA -0.216 4.326 4.550 -0.014 0.000 0.282 777 Y C 2.091 178.062 175.900 0.119 0.000 1.152 777 Y CA 1.878 60.053 58.100 0.126 0.000 1.136 777 Y CB 0.132 38.625 38.460 0.055 0.000 0.975 777 Y HN -0.117 nan 8.280 nan 0.000 0.498 778 E N -0.091 120.173 120.200 0.106 0.000 2.038 778 E HA -0.243 4.098 4.350 -0.014 0.000 0.195 778 E C 2.184 178.747 176.600 -0.061 0.000 1.000 778 E CA 1.474 57.869 56.400 -0.009 0.000 0.803 778 E CB -0.173 29.623 29.700 0.160 0.000 0.750 778 E HN 0.574 nan 8.360 nan 0.000 0.448 779 E N 0.020 120.260 120.200 0.067 0.000 2.118 779 E HA -0.206 4.135 4.350 -0.014 0.000 0.195 779 E C 1.934 178.517 176.600 -0.029 0.000 0.992 779 E CA 0.872 57.336 56.400 0.107 0.000 0.804 779 E CB -0.237 29.626 29.700 0.272 0.000 0.741 779 E HN 0.313 nan 8.360 nan 0.000 0.458 780 Y N 1.422 121.507 120.300 -0.359 0.000 2.133 780 Y HA -0.202 4.339 4.550 -0.014 0.000 0.287 780 Y C 2.291 177.780 175.900 -0.685 0.000 1.134 780 Y CA 0.971 58.526 58.100 -0.909 0.000 1.133 780 Y CB -0.561 37.422 38.460 -0.796 0.000 0.987 780 Y HN -0.222 nan 8.280 nan 0.000 0.502 781 V N 0.432 119.972 119.914 -0.623 0.000 2.332 781 V HA -0.317 3.795 4.120 -0.014 0.000 0.248 781 V C 2.360 178.224 176.094 -0.382 0.000 1.055 781 V CA 2.354 64.322 62.300 -0.554 0.000 1.038 781 V CB -0.661 30.855 31.823 -0.512 0.000 0.651 781 V HN 0.225 nan 8.190 nan 0.000 0.450 782 K N -0.651 119.587 120.400 -0.270 0.000 2.026 782 K HA -0.195 4.116 4.320 -0.014 0.000 0.208 782 K C 2.283 178.789 176.600 -0.156 0.000 1.048 782 K CA 1.867 58.062 56.287 -0.153 0.000 0.929 782 K CB -0.849 31.610 32.500 -0.069 0.000 0.713 782 K HN 0.546 nan 8.250 nan 0.000 0.439 783 C N 0.917 120.099 119.300 -0.196 0.000 2.429 783 C HA -0.106 4.345 4.460 -0.014 0.000 0.277 783 C C 2.503 177.312 174.990 -0.301 0.000 1.262 783 C CA 0.818 59.750 59.018 -0.144 0.000 1.733 783 C CB -0.735 26.945 27.740 -0.101 0.000 2.010 783 C HN 0.475 nan 8.230 nan 0.000 0.483 784 Q N 0.421 119.903 119.800 -0.530 0.000 2.170 784 Q HA -0.178 4.153 4.340 -0.014 0.000 0.203 784 Q C 1.994 177.798 176.000 -0.326 0.000 0.976 784 Q CA 1.674 57.126 55.803 -0.586 0.000 0.858 784 Q CB -0.408 27.738 28.738 -0.986 0.000 0.907 784 Q HN 0.764 nan 8.270 nan 0.000 0.433 785 E N 0.160 120.226 120.200 -0.222 0.000 2.106 785 E HA -0.136 4.206 4.350 -0.014 0.000 0.192 785 E C 2.088 178.644 176.600 -0.074 0.000 0.984 785 E CA 0.561 56.891 56.400 -0.116 0.000 0.806 785 E CB -0.021 29.631 29.700 -0.080 0.000 0.750 785 E HN 0.271 nan 8.360 nan 0.000 0.458 786 R N 0.472 120.934 120.500 -0.064 0.000 2.092 786 R HA -0.090 4.241 4.340 -0.014 0.000 0.231 786 R C 2.432 178.723 176.300 -0.015 0.000 1.119 786 R CA 0.929 57.058 56.100 0.048 0.000 0.970 786 R CB -0.364 30.046 30.300 0.184 0.000 0.864 786 R HN 0.063 nan 8.270 nan 0.000 0.440 787 V N 0.685 120.370 119.914 -0.381 0.000 2.261 787 V HA -0.255 3.856 4.120 -0.014 0.000 0.246 787 V C 2.214 178.280 176.094 -0.046 0.000 1.047 787 V CA 2.042 64.018 62.300 -0.540 0.000 1.015 787 V CB -0.401 31.015 31.823 -0.678 0.000 0.642 787 V HN 0.290 nan 8.190 nan 0.000 0.446 788 S N -0.004 115.644 115.700 -0.086 0.000 2.382 788 S HA -0.158 4.304 4.470 -0.014 0.000 0.228 788 S C 2.209 176.861 174.600 0.087 0.000 1.027 788 S CA 1.345 59.531 58.200 -0.022 0.000 0.991 788 S CB -0.500 62.660 63.200 -0.065 0.000 0.823 788 S HN 0.651 nan 8.310 nan 0.000 0.469 789 A N 1.551 124.425 122.820 0.089 0.000 1.883 789 A HA -0.036 4.275 4.320 -0.014 0.000 0.217 789 A C 2.099 179.795 177.584 0.187 0.000 1.186 789 A CA 1.175 53.287 52.037 0.126 0.000 0.624 789 A CB -0.786 18.280 19.000 0.109 0.000 0.822 789 A HN 0.456 nan 8.150 nan 0.000 0.444 790 L N -2.050 119.344 121.223 0.285 0.000 2.093 790 L HA -0.157 4.175 4.340 -0.014 0.000 0.208 790 L C 2.464 179.610 176.870 0.460 0.000 1.085 790 L CA 1.826 56.914 54.840 0.413 0.000 0.755 790 L CB -0.444 41.976 42.059 0.603 0.000 0.904 790 L HN 0.611 nan 8.230 nan 0.000 0.435 791 Y N 0.907 121.326 120.300 0.199 0.000 2.352 791 Y HA -0.255 4.288 4.550 -0.013 0.000 0.292 791 Y C 2.460 178.283 175.900 -0.128 0.000 1.136 791 Y CA 1.548 59.500 58.100 -0.247 0.000 1.227 791 Y CB -0.027 38.064 38.460 -0.616 0.000 0.991 791 Y HN 0.058 nan 8.280 nan 0.000 0.545 792 K N -0.087 120.353 120.400 0.067 0.000 2.280 792 K HA -0.155 4.156 4.320 -0.014 0.000 0.202 792 K C 0.406 176.990 176.600 -0.027 0.000 1.047 792 K CA 0.897 57.206 56.287 0.037 0.000 0.942 792 K CB -0.106 32.456 32.500 0.103 0.000 0.739 792 K HN 0.051 nan 8.250 nan 0.000 0.457 793 N N 0.359 119.060 118.700 0.003 0.000 2.936 793 N HA 0.129 4.860 4.740 -0.014 0.000 0.243 793 N C -2.429 173.081 175.510 0.000 0.000 1.149 793 N CA -2.145 50.910 53.050 0.009 0.000 0.914 793 N CB 1.185 39.709 38.487 0.061 0.000 1.179 793 N HN -0.176 nan 8.380 nan 0.000 0.502 794 P HA -0.172 nan 4.420 nan 0.000 0.216 794 P C 1.378 178.687 177.300 0.015 0.000 1.150 794 P CA 1.094 64.117 63.100 -0.129 0.000 0.843 794 P CB 0.392 31.990 31.700 -0.170 0.000 0.787 795 R N 0.041 120.551 120.500 0.017 0.000 2.075 795 R HA -0.141 4.191 4.340 -0.014 0.000 0.232 795 R C 1.909 178.251 176.300 0.070 0.000 1.126 795 R CA 1.379 57.500 56.100 0.036 0.000 0.963 795 R CB -0.340 29.973 30.300 0.021 0.000 0.858 795 R HN 0.074 nan 8.270 nan 0.000 0.435 796 E N -0.026 120.227 120.200 0.088 0.000 2.158 796 E HA -0.204 4.137 4.350 -0.014 0.000 0.191 796 E C 1.587 178.268 176.600 0.134 0.000 0.982 796 E CA 0.562 57.019 56.400 0.095 0.000 0.823 796 E CB -0.433 29.321 29.700 0.090 0.000 0.766 796 E HN 0.500 nan 8.360 nan 0.000 0.468 797 W N 2.217 123.518 121.300 0.001 0.000 2.333 797 W HA -0.218 4.433 4.660 -0.015 0.000 0.316 797 W C 1.665 178.191 176.519 0.012 0.000 1.215 797 W CA 2.243 59.603 57.345 0.025 0.000 1.278 797 W CB -0.452 28.991 29.460 -0.028 0.000 1.154 797 W HN 0.042 nan 8.180 nan 0.000 0.486 798 T N 1.094 115.782 114.554 0.224 0.000 2.788 798 T HA -0.180 4.161 4.350 -0.014 0.000 0.268 798 T C 1.854 176.561 174.700 0.011 0.000 1.044 798 T CA 1.759 63.920 62.100 0.102 0.000 1.139 798 T CB -0.333 68.581 68.868 0.077 0.000 0.867 798 T HN 0.177 nan 8.240 nan 0.000 0.454 799 R N 0.407 120.922 120.500 0.025 0.000 2.081 799 R HA 0.060 4.391 4.340 -0.014 0.000 0.235 799 R C 2.525 178.814 176.300 -0.018 0.000 1.131 799 R CA 1.303 57.417 56.100 0.023 0.000 0.960 799 R CB -0.350 29.970 30.300 0.034 0.000 0.856 799 R HN 0.367 nan 8.270 nan 0.000 0.436 800 M N 0.461 120.014 119.600 -0.079 0.000 2.132 800 M HA -0.153 4.319 4.480 -0.014 0.000 0.263 800 M C 1.985 178.184 176.300 -0.169 0.000 1.065 800 M CA 1.419 56.631 55.300 -0.146 0.000 1.122 800 M CB 0.120 32.575 32.600 -0.242 0.000 1.365 800 M HN -0.010 nan 8.290 nan 0.000 0.411 801 V N 1.062 120.849 119.914 -0.212 0.000 2.282 801 V HA -0.337 3.774 4.120 -0.014 0.000 0.249 801 V C 2.222 178.289 176.094 -0.046 0.000 1.057 801 V CA 2.235 64.442 62.300 -0.155 0.000 1.032 801 V CB -0.667 31.087 31.823 -0.114 0.000 0.645 801 V HN 0.523 nan 8.190 nan 0.000 0.447 802 I N -0.570 119.999 120.570 -0.002 0.000 2.264 802 I HA -0.277 3.884 4.170 -0.014 0.000 0.248 802 I C 2.680 178.846 176.117 0.081 0.000 1.111 802 I CA 1.636 62.988 61.300 0.087 0.000 1.382 802 I CB -0.460 37.649 38.000 0.182 0.000 1.060 802 I HN 0.229 nan 8.210 nan 0.000 0.418 803 R N 0.466 120.990 120.500 0.040 0.000 2.120 803 R HA -0.109 4.222 4.340 -0.014 0.000 0.234 803 R C 2.036 178.368 176.300 0.054 0.000 1.123 803 R CA 1.172 57.295 56.100 0.039 0.000 0.975 803 R CB -0.422 29.886 30.300 0.012 0.000 0.866 803 R HN 0.537 nan 8.270 nan 0.000 0.446 804 N N 0.688 119.409 118.700 0.036 0.000 2.092 804 N HA -0.076 4.655 4.740 -0.014 0.000 0.189 804 N C 1.972 177.540 175.510 0.097 0.000 1.040 804 N CA 1.120 54.214 53.050 0.075 0.000 0.845 804 N CB -0.050 38.437 38.487 0.000 0.000 1.017 804 N HN 0.098 nan 8.380 nan 0.000 0.426 805 I N 1.722 122.334 120.570 0.071 0.000 2.194 805 I HA -0.267 3.894 4.170 -0.014 0.000 0.246 805 I C 2.459 178.625 176.117 0.082 0.000 1.093 805 I CA 1.050 62.398 61.300 0.079 0.000 1.355 805 I CB -0.347 37.692 38.000 0.065 0.000 1.046 805 I HN 0.114 nan 8.210 nan 0.000 0.413 806 A N 0.284 123.152 122.820 0.081 0.000 2.015 806 A HA -0.158 4.153 4.320 -0.014 0.000 0.219 806 A C 2.113 179.734 177.584 0.061 0.000 1.163 806 A CA 2.043 54.118 52.037 0.063 0.000 0.646 806 A CB -0.833 18.208 19.000 0.068 0.000 0.806 806 A HN 0.543 nan 8.150 nan 0.000 0.448 807 T N -2.963 111.644 114.554 0.087 0.000 3.129 807 T HA 0.175 4.516 4.350 -0.014 0.000 0.267 807 T C 1.149 175.937 174.700 0.145 0.000 1.018 807 T CA 0.643 62.796 62.100 0.089 0.000 0.903 807 T CB -0.179 68.744 68.868 0.092 0.000 1.067 807 T HN 0.480 nan 8.240 nan 0.000 0.549 808 S N 0.144 115.950 115.700 0.177 0.000 2.593 808 S HA 0.254 4.715 4.470 -0.014 0.000 0.217 808 S C 2.177 176.898 174.600 0.202 0.000 0.966 808 S CA 0.241 58.620 58.200 0.300 0.000 0.914 808 S CB -0.604 62.748 63.200 0.254 0.000 0.776 808 S HN 0.521 nan 8.310 nan 0.000 0.523 809 G N 2.725 111.565 108.800 0.067 0.000 2.469 809 G HA2 -0.286 3.666 3.960 -0.014 0.000 0.220 809 G HA3 -0.286 3.666 3.960 -0.014 0.000 0.220 809 G C 1.317 176.161 174.900 -0.094 0.000 1.136 809 G CA 1.018 46.124 45.100 0.012 0.000 0.759 809 G HN 0.619 nan 8.290 nan 0.000 0.562 810 K N -0.156 120.062 120.400 -0.304 0.000 2.211 810 K HA -0.047 4.265 4.320 -0.014 0.000 0.204 810 K C 1.208 177.491 176.600 -0.529 0.000 1.047 810 K CA 0.865 56.834 56.287 -0.531 0.000 0.935 810 K CB -0.279 31.701 32.500 -0.867 0.000 0.728 810 K HN 0.420 nan 8.250 nan 0.000 0.452 811 F N 0.734 120.714 119.950 0.050 0.000 2.645 811 F HA 0.161 4.679 4.527 -0.015 0.000 0.300 811 F C 0.708 176.554 175.800 0.076 0.000 1.115 811 F CA -0.697 57.339 58.000 0.061 0.000 1.355 811 F CB 0.536 39.568 39.000 0.053 0.000 1.026 811 F HN -0.120 nan 8.300 nan 0.000 0.536 812 S N 0.407 116.196 115.700 0.148 0.000 2.528 812 S HA 0.052 4.514 4.470 -0.014 0.000 0.277 812 S C 1.465 176.152 174.600 0.145 0.000 1.297 812 S CA -0.165 58.117 58.200 0.137 0.000 1.052 812 S CB 0.783 64.032 63.200 0.081 0.000 0.917 812 S HN 0.369 nan 8.310 nan 0.000 0.492 813 S N 3.396 119.209 115.700 0.188 0.000 2.507 813 S HA -0.094 4.368 4.470 -0.014 0.000 0.235 813 S C 0.979 175.642 174.600 0.105 0.000 0.988 813 S CA 0.810 59.146 58.200 0.227 0.000 0.944 813 S CB -0.371 63.044 63.200 0.357 0.000 0.762 813 S HN 0.796 nan 8.310 nan 0.000 0.526 814 D N 1.892 122.336 120.400 0.073 0.000 2.117 814 D HA -0.091 4.541 4.640 -0.014 0.000 0.197 814 D C 2.096 178.403 176.300 0.012 0.000 0.987 814 D CA 0.822 54.840 54.000 0.031 0.000 0.829 814 D CB -0.348 40.466 40.800 0.023 0.000 0.961 814 D HN 0.290 nan 8.370 nan 0.000 0.460 815 R N 0.785 121.295 120.500 0.016 0.000 2.070 815 R HA -0.096 4.235 4.340 -0.014 0.000 0.233 815 R C 1.942 178.236 176.300 -0.011 0.000 1.137 815 R CA 1.510 57.604 56.100 -0.009 0.000 0.945 815 R CB -0.823 29.459 30.300 -0.031 0.000 0.845 815 R HN 0.136 nan 8.270 nan 0.000 0.430 816 T N 2.257 116.830 114.554 0.031 0.000 2.635 816 T HA -0.142 4.199 4.350 -0.014 0.000 0.267 816 T C 1.946 176.646 174.700 0.000 0.000 1.040 816 T CA 1.482 63.616 62.100 0.057 0.000 1.156 816 T CB -0.151 68.837 68.868 0.200 0.000 0.863 816 T HN 0.115 nan 8.240 nan 0.000 0.430 817 I N 1.635 122.131 120.570 -0.123 0.000 2.252 817 I HA -0.091 4.070 4.170 -0.014 0.000 0.245 817 I C 2.951 179.016 176.117 -0.086 0.000 1.102 817 I CA 1.007 62.194 61.300 -0.187 0.000 1.385 817 I CB -1.630 36.263 38.000 -0.178 0.000 1.064 817 I HN 0.202 nan 8.210 nan 0.000 0.414 818 A N 0.244 123.037 122.820 -0.045 0.000 1.940 818 A HA -0.253 4.059 4.320 -0.014 0.000 0.219 818 A C 2.254 179.789 177.584 -0.081 0.000 1.176 818 A CA 1.574 53.590 52.037 -0.034 0.000 0.631 818 A CB -0.601 18.387 19.000 -0.020 0.000 0.814 818 A HN 0.517 nan 8.150 nan 0.000 0.446 819 Q N -1.891 117.841 119.800 -0.113 0.000 2.079 819 Q HA -0.169 4.163 4.340 -0.014 0.000 0.200 819 Q C 1.942 177.755 176.000 -0.312 0.000 0.974 819 Q CA 1.655 57.349 55.803 -0.182 0.000 0.840 819 Q CB -0.310 28.315 28.738 -0.189 0.000 0.898 819 Q HN 0.828 nan 8.270 nan 0.000 0.430 820 Y N 0.522 120.509 120.300 -0.520 0.000 2.128 820 Y HA -0.293 4.248 4.550 -0.015 0.000 0.284 820 Y C 2.470 177.757 175.900 -1.021 0.000 1.154 820 Y CA 1.259 58.777 58.100 -0.970 0.000 1.149 820 Y CB -0.426 37.097 38.460 -1.562 0.000 0.976 820 Y HN 0.163 nan 8.280 nan 0.000 0.505 821 A N 0.273 122.833 122.820 -0.433 0.000 1.883 821 A HA -0.225 4.086 4.320 -0.014 0.000 0.217 821 A C 2.235 179.831 177.584 0.020 0.000 1.186 821 A CA 2.061 54.116 52.037 0.030 0.000 0.624 821 A CB -0.553 18.544 19.000 0.163 0.000 0.822 821 A HN 0.430 nan 8.150 nan 0.000 0.444 822 R N -0.700 119.769 120.500 -0.051 0.000 2.075 822 R HA -0.016 4.315 4.340 -0.014 0.000 0.226 822 R C 1.834 178.109 176.300 -0.041 0.000 1.114 822 R CA 1.445 57.530 56.100 -0.025 0.000 0.972 822 R CB -0.170 30.110 30.300 -0.033 0.000 0.869 822 R HN 0.659 nan 8.270 nan 0.000 0.437 823 E N -0.476 119.658 120.200 -0.110 0.000 2.415 823 E HA 0.092 4.433 4.350 -0.014 0.000 0.197 823 E C 1.415 177.968 176.600 -0.079 0.000 1.007 823 E CA 0.456 56.797 56.400 -0.098 0.000 0.890 823 E CB 0.556 30.169 29.700 -0.144 0.000 0.891 823 E HN 0.307 nan 8.360 nan 0.000 0.496 824 I N -1.123 119.368 120.570 -0.131 0.000 3.739 824 I HA 0.025 4.186 4.170 -0.014 0.000 0.272 824 I C 1.303 177.570 176.117 0.249 0.000 1.167 824 I CA -0.067 61.221 61.300 -0.020 0.000 1.386 824 I CB 0.259 38.109 38.000 -0.248 0.000 1.490 824 I HN 0.105 nan 8.210 nan 0.000 0.452 825 W N 1.572 122.968 121.300 0.159 0.000 2.770 825 W HA 0.331 4.982 4.660 -0.014 0.000 0.256 825 W C 1.464 178.023 176.519 0.066 0.000 1.291 825 W CA 0.742 58.164 57.345 0.127 0.000 1.396 825 W CB -1.090 28.433 29.460 0.104 0.000 1.114 825 W HN 0.311 nan 8.180 nan 0.000 0.637 826 G N 1.327 110.267 108.800 0.234 0.000 2.272 826 G HA2 -0.101 3.850 3.960 -0.014 0.000 0.280 826 G HA3 -0.101 3.850 3.960 -0.014 0.000 0.280 826 G C -0.315 174.659 174.900 0.124 0.000 1.067 826 G CA 0.289 45.467 45.100 0.130 0.000 0.902 826 G HN 0.402 nan 8.290 nan 0.000 0.500 827 V N -4.294 115.714 119.914 0.156 0.000 3.007 827 V HA 0.898 5.009 4.120 -0.014 0.000 0.311 827 V C -0.388 175.769 176.094 0.105 0.000 1.120 827 V CA -1.713 60.661 62.300 0.124 0.000 0.980 827 V CB 2.357 34.265 31.823 0.143 0.000 1.033 827 V HN 0.131 nan 8.190 nan 0.000 0.429 828 E N 3.812 124.056 120.200 0.074 0.000 2.146 828 E HA 0.508 4.849 4.350 -0.014 0.000 0.282 828 E C -2.474 174.165 176.600 0.065 0.000 0.989 828 E CA -1.739 54.697 56.400 0.060 0.000 0.799 828 E CB 1.815 31.542 29.700 0.044 0.000 1.088 828 E HN 0.732 nan 8.360 nan 0.000 0.397 829 P HA 0.063 nan 4.420 nan 0.000 0.271 829 P C -0.464 176.866 177.300 0.051 0.000 1.233 829 P CA -0.264 62.872 63.100 0.061 0.000 0.789 829 P CB 0.807 32.538 31.700 0.051 0.000 0.951 830 S N 0.478 116.209 115.700 0.052 0.000 2.566 830 S HA 0.331 4.793 4.470 -0.014 0.000 0.273 830 S C 0.331 174.956 174.600 0.042 0.000 1.157 830 S CA -0.731 57.498 58.200 0.047 0.000 0.938 830 S CB 0.956 64.191 63.200 0.058 0.000 1.087 830 S HN 0.221 nan 8.310 nan 0.000 0.474 831 R N 2.268 122.788 120.500 0.034 0.000 2.317 831 R HA 0.221 4.553 4.340 -0.014 0.000 0.208 831 R C 0.122 176.434 176.300 0.020 0.000 0.914 831 R CA 0.102 56.220 56.100 0.031 0.000 1.060 831 R CB -0.134 30.185 30.300 0.032 0.000 1.015 831 R HN 0.701 nan 8.270 nan 0.000 0.498 832 Q N 1.183 120.994 119.800 0.019 0.000 2.311 832 Q HA 0.084 4.415 4.340 -0.014 0.000 0.272 832 Q C -0.256 175.737 176.000 -0.011 0.000 1.012 832 Q CA 0.428 56.235 55.803 0.007 0.000 0.891 832 Q CB 0.745 29.493 28.738 0.015 0.000 1.201 832 Q HN -0.092 nan 8.270 nan 0.000 0.391 833 R N 1.904 122.388 120.500 -0.027 0.000 2.390 833 R HA 0.275 4.606 4.340 -0.014 0.000 0.291 833 R C -0.169 176.086 176.300 -0.076 0.000 1.070 833 R CA -0.300 55.770 56.100 -0.050 0.000 1.014 833 R CB 0.539 30.809 30.300 -0.050 0.000 1.007 833 R HN 0.446 nan 8.270 nan 0.000 0.466 834 L N 4.574 125.730 121.223 -0.112 0.000 2.436 834 L HA 0.301 4.632 4.340 -0.014 0.000 0.265 834 L C -1.687 175.118 176.870 -0.109 0.000 1.168 834 L CA -2.063 52.677 54.840 -0.167 0.000 0.815 834 L CB 0.576 42.489 42.059 -0.243 0.000 1.109 834 L HN 0.378 nan 8.230 nan 0.000 0.462 835 P HA 0.043 nan 4.420 nan 0.000 0.266 835 P C -0.632 176.638 177.300 -0.050 0.000 1.195 835 P CA -0.185 62.880 63.100 -0.058 0.000 0.768 835 P CB 0.709 32.383 31.700 -0.043 0.000 0.838 836 A N 0.000 122.800 122.820 -0.034 0.000 2.254 836 A HA 0.000 4.311 4.320 -0.014 0.000 0.244 836 A CA 0.000 52.024 52.037 -0.021 0.000 0.836 836 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486