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 1xl0_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 EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.982 176.000 -0.030 0.000 1.003 12 Q CA 0.000 55.772 55.803 -0.051 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.058 0.000 1.108 13 I N -0.593 119.965 120.570 -0.020 0.000 2.648 13 I HA 0.602 4.767 4.170 -0.008 0.000 0.304 13 I C 0.908 177.025 176.117 -0.000 0.000 1.009 13 I CA -0.260 61.037 61.300 -0.006 0.000 1.114 13 I CB 1.967 39.968 38.000 0.002 0.000 1.293 13 I HN 0.345 nan 8.210 nan 0.000 0.449 14 S N 3.254 118.959 115.700 0.009 0.000 2.365 14 S HA -0.191 4.274 4.470 -0.008 0.000 0.221 14 S C 1.819 176.430 174.600 0.017 0.000 1.037 14 S CA 2.392 60.600 58.200 0.014 0.000 1.060 14 S CB -0.674 62.540 63.200 0.023 0.000 0.974 14 S HN 0.861 nan 8.310 nan 0.000 0.427 15 V N 0.321 120.254 119.914 0.032 0.000 3.099 15 V HA 0.001 4.116 4.120 -0.008 0.000 0.269 15 V C 1.810 177.920 176.094 0.027 0.000 1.150 15 V CA 1.716 64.038 62.300 0.037 0.000 1.165 15 V CB -1.170 30.684 31.823 0.052 0.000 0.756 15 V HN 0.405 nan 8.190 nan 0.000 0.527 16 R N 1.123 121.629 120.500 0.010 0.000 2.356 16 R HA 0.440 4.775 4.340 -0.008 0.000 0.234 16 R C 1.146 177.436 176.300 -0.017 0.000 0.929 16 R CA 0.516 56.615 56.100 -0.002 0.000 1.084 16 R CB 0.045 30.340 30.300 -0.008 0.000 1.105 16 R HN 0.785 nan 8.270 nan 0.000 0.515 17 G N 0.766 109.555 108.800 -0.018 0.000 2.796 17 G HA2 -0.227 3.728 3.960 -0.008 0.000 0.571 17 G HA3 -0.227 3.728 3.960 -0.008 0.000 0.571 17 G C -0.789 174.094 174.900 -0.028 0.000 1.370 17 G CA -1.045 44.036 45.100 -0.032 0.000 0.856 17 G HN -0.012 nan 8.290 nan 0.000 0.538 18 L N 0.196 121.399 121.223 -0.032 0.000 2.399 18 L HA 0.692 5.027 4.340 -0.008 0.000 0.266 18 L C 1.237 178.091 176.870 -0.026 0.000 1.114 18 L CA 0.289 55.113 54.840 -0.026 0.000 0.804 18 L CB 1.070 43.115 42.059 -0.023 0.000 1.146 18 L HN 1.563 nan 8.230 nan 0.000 0.451 19 A N 1.785 124.593 122.820 -0.020 0.000 3.158 19 A HA 0.568 4.883 4.320 -0.008 0.000 0.319 19 A C 0.727 178.306 177.584 -0.008 0.000 1.204 19 A CA -0.330 51.697 52.037 -0.016 0.000 0.992 19 A CB -0.443 18.548 19.000 -0.015 0.000 1.110 19 A HN 0.800 nan 8.150 nan 0.000 0.519 20 G N -0.325 108.469 108.800 -0.009 0.000 2.559 20 G HA2 0.321 4.276 3.960 -0.008 0.000 0.235 20 G HA3 0.321 4.276 3.960 -0.008 0.000 0.235 20 G C 1.032 175.935 174.900 0.005 0.000 1.266 20 G CA 0.085 45.183 45.100 -0.002 0.000 0.847 20 G HN 0.422 nan 8.290 nan 0.000 0.583 21 V N 1.719 121.638 119.914 0.007 0.000 2.261 21 V HA -0.173 3.942 4.120 -0.008 0.000 0.246 21 V C 2.714 178.818 176.094 0.016 0.000 1.047 21 V CA 2.425 64.732 62.300 0.011 0.000 1.015 21 V CB -0.740 31.089 31.823 0.010 0.000 0.642 21 V HN 0.761 nan 8.190 nan 0.000 0.446 22 E N 0.436 120.646 120.200 0.017 0.000 2.077 22 E HA -0.186 4.159 4.350 -0.008 0.000 0.193 22 E C 2.083 178.702 176.600 0.033 0.000 0.989 22 E CA 1.611 58.025 56.400 0.023 0.000 0.800 22 E CB -0.339 29.374 29.700 0.022 0.000 0.746 22 E HN 0.614 nan 8.360 nan 0.000 0.452 23 N N -0.926 117.791 118.700 0.029 0.000 2.188 23 N HA -0.106 4.629 4.740 -0.008 0.000 0.184 23 N C 1.525 177.059 175.510 0.041 0.000 1.018 23 N CA 0.795 53.868 53.050 0.039 0.000 0.858 23 N CB 0.080 38.576 38.487 0.014 0.000 0.989 23 N HN -0.031 nan 8.380 nan 0.000 0.426 24 V N 0.043 119.974 119.914 0.027 0.000 2.427 24 V HA -0.201 3.914 4.120 -0.008 0.000 0.248 24 V C 1.982 178.098 176.094 0.037 0.000 1.051 24 V CA 1.739 64.056 62.300 0.027 0.000 1.048 24 V CB -0.797 31.037 31.823 0.019 0.000 0.666 24 V HN 0.395 nan 8.190 nan 0.000 0.456 25 T N -0.485 114.091 114.554 0.036 0.000 2.746 25 T HA -0.215 4.130 4.350 -0.008 0.000 0.267 25 T C 1.922 176.656 174.700 0.057 0.000 1.039 25 T CA 1.786 63.909 62.100 0.038 0.000 1.142 25 T CB -0.180 68.706 68.868 0.031 0.000 0.866 25 T HN 0.488 nan 8.240 nan 0.000 0.444 26 E N 1.106 121.347 120.200 0.068 0.000 2.077 26 E HA -0.039 4.306 4.350 -0.008 0.000 0.193 26 E C 2.053 178.731 176.600 0.129 0.000 0.989 26 E CA 0.988 57.442 56.400 0.090 0.000 0.800 26 E CB -0.567 29.194 29.700 0.100 0.000 0.746 26 E HN 0.440 nan 8.360 nan 0.000 0.452 27 L N 0.162 121.470 121.223 0.141 0.000 2.042 27 L HA -0.211 4.124 4.340 -0.008 0.000 0.210 27 L C 2.501 179.484 176.870 0.190 0.000 1.076 27 L CA 1.631 56.582 54.840 0.184 0.000 0.749 27 L CB -0.394 41.744 42.059 0.132 0.000 0.893 27 L HN 0.104 nan 8.230 nan 0.000 0.432 28 K N 0.525 120.996 120.400 0.118 0.000 2.032 28 K HA -0.213 4.103 4.320 -0.008 0.000 0.209 28 K C 2.120 178.826 176.600 0.177 0.000 1.048 28 K CA 1.880 58.230 56.287 0.105 0.000 0.927 28 K CB -0.122 32.399 32.500 0.034 0.000 0.712 28 K HN 0.405 nan 8.250 nan 0.000 0.441 29 K N 0.314 120.794 120.400 0.133 0.000 2.097 29 K HA -0.063 4.252 4.320 -0.008 0.000 0.205 29 K C 1.629 178.314 176.600 0.142 0.000 1.050 29 K CA 1.342 57.702 56.287 0.121 0.000 0.938 29 K CB -0.172 32.373 32.500 0.076 0.000 0.718 29 K HN 0.022 nan 8.250 nan 0.000 0.442 30 N N 0.430 119.225 118.700 0.158 0.000 2.331 30 N HA -0.098 4.637 4.740 -0.008 0.000 0.180 30 N C 1.549 177.199 175.510 0.233 0.000 1.019 30 N CA 0.856 53.988 53.050 0.137 0.000 0.881 30 N CB -0.193 38.385 38.487 0.152 0.000 0.972 30 N HN 0.218 nan 8.380 nan 0.000 0.435 31 F N 2.477 122.522 119.950 0.159 0.000 2.113 31 F HA -0.056 4.466 4.527 -0.008 0.000 0.297 31 F C 1.990 177.895 175.800 0.174 0.000 1.103 31 F CA 1.216 59.329 58.000 0.189 0.000 1.248 31 F CB -0.170 38.915 39.000 0.141 0.000 0.999 31 F HN -0.049 nan 8.300 nan 0.000 0.475 32 N N 0.539 119.459 118.700 0.365 0.000 2.244 32 N HA -0.179 4.556 4.740 -0.008 0.000 0.183 32 N C 2.021 177.600 175.510 0.115 0.000 1.016 32 N CA 1.063 54.248 53.050 0.225 0.000 0.866 32 N CB -0.513 38.092 38.487 0.196 0.000 0.980 32 N HN 0.387 nan 8.380 nan 0.000 0.430 33 R N 0.286 120.854 120.500 0.114 0.000 2.073 33 R HA -0.090 4.245 4.340 -0.008 0.000 0.234 33 R C 1.772 178.144 176.300 0.120 0.000 1.134 33 R CA 1.432 57.622 56.100 0.150 0.000 0.952 33 R CB -0.186 30.137 30.300 0.038 0.000 0.850 33 R HN 0.369 nan 8.270 nan 0.000 0.433 34 H N -0.417 118.686 119.070 0.055 0.000 2.389 34 H HA -0.112 4.439 4.556 -0.008 0.000 0.299 34 H C 1.873 177.126 175.328 -0.125 0.000 1.081 34 H CA 1.354 57.368 56.048 -0.056 0.000 1.345 34 H CB 0.095 29.784 29.762 -0.121 0.000 1.393 34 H HN 0.122 nan 8.280 nan 0.000 0.520 35 L N 0.081 121.272 121.223 -0.053 0.000 2.042 35 L HA -0.201 4.134 4.340 -0.008 0.000 0.210 35 L C 2.166 179.005 176.870 -0.051 0.000 1.076 35 L CA 1.893 56.672 54.840 -0.102 0.000 0.749 35 L CB -0.503 41.501 42.059 -0.092 0.000 0.893 35 L HN 0.301 nan 8.230 nan 0.000 0.432 36 H N -1.604 117.381 119.070 -0.142 0.000 2.266 36 H HA -0.066 4.485 4.556 -0.008 0.000 0.308 36 H C 1.844 176.986 175.328 -0.310 0.000 1.057 36 H CA 2.306 58.184 56.048 -0.283 0.000 1.330 36 H CB -0.388 29.099 29.762 -0.458 0.000 1.400 36 H HN 0.270 nan 8.280 nan 0.000 0.503 37 F N -0.197 119.728 119.950 -0.042 0.000 2.206 37 F HA -0.071 4.451 4.527 -0.008 0.000 0.298 37 F C 2.657 178.377 175.800 -0.133 0.000 1.090 37 F CA 1.521 59.452 58.000 -0.116 0.000 1.323 37 F CB -0.549 38.426 39.000 -0.042 0.000 1.028 37 F HN 0.204 nan 8.300 nan 0.000 0.492 38 T N -0.125 114.463 114.554 0.057 0.000 2.901 38 T HA 0.055 4.400 4.350 -0.008 0.000 0.252 38 T C 1.960 176.564 174.700 -0.159 0.000 1.035 38 T CA 0.869 62.926 62.100 -0.071 0.000 1.142 38 T CB -0.303 68.487 68.868 -0.129 0.000 0.869 38 T HN 0.115 nan 8.240 nan 0.000 0.442 39 L N 1.138 122.265 121.223 -0.159 0.000 2.529 39 L HA 0.211 4.546 4.340 -0.008 0.000 0.223 39 L C 0.310 177.081 176.870 -0.166 0.000 1.113 39 L CA -0.108 54.628 54.840 -0.174 0.000 0.861 39 L CB -0.014 41.949 42.059 -0.161 0.000 1.012 39 L HN -0.028 nan 8.230 nan 0.000 0.461 40 V N 0.774 120.575 119.914 -0.189 0.000 5.949 40 V HA -0.281 3.834 4.120 -0.008 0.000 0.287 40 V C -0.109 175.874 176.094 -0.185 0.000 0.603 40 V CA 1.127 63.290 62.300 -0.229 0.000 0.608 40 V CB -2.180 29.535 31.823 -0.180 0.000 0.259 40 V HN 0.449 nan 8.190 nan 0.000 0.742 41 K N 0.729 121.028 120.400 -0.167 0.000 2.533 41 K HA 0.704 5.019 4.320 -0.008 0.000 0.272 41 K C -0.572 175.997 176.600 -0.051 0.000 0.985 41 K CA -0.495 55.726 56.287 -0.110 0.000 0.876 41 K CB 2.822 35.249 32.500 -0.122 0.000 1.452 41 K HN 0.486 nan 8.250 nan 0.000 0.439 42 D N -0.878 119.512 120.400 -0.017 0.000 2.497 42 D HA 0.328 4.963 4.640 -0.008 0.000 0.243 42 D C 0.642 176.975 176.300 0.055 0.000 1.039 42 D CA -0.718 53.306 54.000 0.039 0.000 1.052 42 D CB 0.881 41.703 40.800 0.037 0.000 1.344 42 D HN 0.095 nan 8.370 nan 0.000 0.553 43 R N 0.041 120.604 120.500 0.105 0.000 2.293 43 R HA 0.019 4.354 4.340 -0.008 0.000 0.219 43 R C 0.615 176.989 176.300 0.123 0.000 1.091 43 R CA 0.405 56.605 56.100 0.168 0.000 1.004 43 R CB -0.739 29.662 30.300 0.169 0.000 0.865 43 R HN 0.507 nan 8.270 nan 0.000 0.469 44 N N 0.135 118.875 118.700 0.066 0.000 2.415 44 N HA -0.054 4.681 4.740 -0.008 0.000 0.176 44 N C 1.416 176.944 175.510 0.029 0.000 1.042 44 N CA 1.027 54.106 53.050 0.048 0.000 0.902 44 N CB 0.595 39.100 38.487 0.030 0.000 0.986 44 N HN 0.171 nan 8.380 nan 0.000 0.447 45 V N -3.014 116.903 119.914 0.006 0.000 3.432 45 V HA 0.528 4.643 4.120 -0.008 0.000 0.298 45 V C 0.719 176.776 176.094 -0.061 0.000 1.464 45 V CA -0.620 61.669 62.300 -0.018 0.000 1.046 45 V CB -0.177 31.630 31.823 -0.026 0.000 0.887 45 V HN 0.011 nan 8.190 nan 0.000 0.441 46 A N 2.090 124.849 122.820 -0.101 0.000 2.440 46 A HA 0.617 4.932 4.320 -0.008 0.000 0.251 46 A C 0.709 178.113 177.584 -0.299 0.000 1.089 46 A CA 0.781 52.641 52.037 -0.295 0.000 0.779 46 A CB 0.024 18.698 19.000 -0.543 0.000 1.022 46 A HN 0.815 nan 8.150 nan 0.000 0.492 47 T N -0.099 114.281 114.554 -0.291 0.000 2.948 47 T HA 0.586 4.931 4.350 -0.008 0.000 0.285 47 T C -2.191 172.453 174.700 -0.094 0.000 1.019 47 T CA -1.797 60.234 62.100 -0.115 0.000 1.013 47 T CB 1.320 70.166 68.868 -0.037 0.000 1.117 47 T HN 0.230 nan 8.240 nan 0.000 0.533 48 P HA -0.089 nan 4.420 nan 0.000 0.217 48 P C 1.598 179.036 177.300 0.230 0.000 1.148 48 P CA 0.950 64.212 63.100 0.271 0.000 0.828 48 P CB 0.059 31.872 31.700 0.188 0.000 0.783 49 R N -0.077 120.506 120.500 0.137 0.000 2.092 49 R HA -0.135 4.200 4.340 -0.008 0.000 0.231 49 R C 1.633 178.138 176.300 0.342 0.000 1.119 49 R CA 1.725 57.957 56.100 0.219 0.000 0.970 49 R CB -0.672 29.688 30.300 0.100 0.000 0.864 49 R HN 0.079 nan 8.270 nan 0.000 0.440 50 D N -0.289 120.173 120.400 0.103 0.000 2.117 50 D HA -0.181 4.454 4.640 -0.008 0.000 0.197 50 D C 1.687 178.016 176.300 0.048 0.000 0.987 50 D CA 1.297 55.300 54.000 0.006 0.000 0.829 50 D CB -0.298 40.352 40.800 -0.249 0.000 0.961 50 D HN 0.305 nan 8.370 nan 0.000 0.460 51 Y N -0.049 120.368 120.300 0.194 0.000 2.242 51 Y HA -0.191 4.354 4.550 -0.008 0.000 0.291 51 Y C 2.289 178.336 175.900 0.244 0.000 1.137 51 Y CA 0.325 58.579 58.100 0.257 0.000 1.181 51 Y CB -1.033 37.634 38.460 0.345 0.000 0.989 51 Y HN 0.088 nan 8.280 nan 0.000 0.527 52 Y N -0.506 119.958 120.300 0.273 0.000 2.145 52 Y HA -0.265 4.280 4.550 -0.008 0.000 0.286 52 Y C 1.912 177.801 175.900 -0.019 0.000 1.145 52 Y CA 1.226 59.384 58.100 0.097 0.000 1.148 52 Y CB -1.119 37.307 38.460 -0.058 0.000 0.981 52 Y HN 0.038 nan 8.280 nan 0.000 0.507 53 F N 0.304 120.029 119.950 -0.374 0.000 2.171 53 F HA -0.115 4.407 4.527 -0.008 0.000 0.300 53 F C 2.659 178.307 175.800 -0.254 0.000 1.090 53 F CA 1.377 59.114 58.000 -0.438 0.000 1.293 53 F CB -0.948 37.974 39.000 -0.130 0.000 1.013 53 F HN 0.196 nan 8.300 nan 0.000 0.486 54 A N -0.115 122.663 122.820 -0.069 0.000 1.883 54 A HA -0.199 4.117 4.320 -0.008 0.000 0.217 54 A C 2.089 179.563 177.584 -0.182 0.000 1.186 54 A CA 1.704 53.571 52.037 -0.283 0.000 0.624 54 A CB -1.066 17.437 19.000 -0.829 0.000 0.822 54 A HN 0.345 nan 8.150 nan 0.000 0.444 55 L N -0.369 120.868 121.223 0.022 0.000 2.056 55 L HA -0.000 4.335 4.340 -0.008 0.000 0.207 55 L C 2.673 179.540 176.870 -0.004 0.000 1.078 55 L CA 2.075 57.047 54.840 0.220 0.000 0.749 55 L CB -0.862 41.389 42.059 0.320 0.000 0.901 55 L HN 0.346 nan 8.230 nan 0.000 0.433 56 A N -1.194 121.441 122.820 -0.309 0.000 1.877 56 A HA -0.279 4.036 4.320 -0.008 0.000 0.216 56 A C 2.138 179.385 177.584 -0.560 0.000 1.186 56 A CA 2.002 53.740 52.037 -0.498 0.000 0.620 56 A CB -1.079 17.286 19.000 -1.058 0.000 0.822 56 A HN 0.657 nan 8.150 nan 0.000 0.443 57 H N -0.763 117.991 119.070 -0.527 0.000 2.421 57 H HA -0.053 4.498 4.556 -0.008 0.000 0.298 57 H C 2.315 177.391 175.328 -0.419 0.000 1.087 57 H CA 1.947 57.609 56.048 -0.644 0.000 1.330 57 H CB -0.182 28.899 29.762 -1.134 0.000 1.388 57 H HN 0.465 nan 8.280 nan 0.000 0.526 58 T N -0.397 114.129 114.554 -0.046 0.000 2.737 58 T HA -0.120 4.225 4.350 -0.008 0.000 0.265 58 T C 2.255 177.122 174.700 0.279 0.000 1.038 58 T CA 1.320 63.567 62.100 0.245 0.000 1.144 58 T CB -0.360 68.714 68.868 0.344 0.000 0.866 58 T HN 0.100 nan 8.240 nan 0.000 0.434 59 V N 1.593 121.645 119.914 0.230 0.000 2.427 59 V HA -0.114 4.001 4.120 -0.008 0.000 0.248 59 V C 2.599 178.871 176.094 0.298 0.000 1.051 59 V CA 1.559 64.038 62.300 0.300 0.000 1.048 59 V CB -0.639 31.354 31.823 0.283 0.000 0.666 59 V HN 0.375 nan 8.190 nan 0.000 0.456 60 R N 0.307 120.917 120.500 0.185 0.000 2.105 60 R HA -0.224 4.112 4.340 -0.008 0.000 0.239 60 R C 1.956 178.343 176.300 0.145 0.000 1.135 60 R CA 2.140 58.335 56.100 0.159 0.000 0.967 60 R CB -0.418 29.797 30.300 -0.141 0.000 0.861 60 R HN 0.461 nan 8.270 nan 0.000 0.442 61 D N -0.095 120.372 120.400 0.112 0.000 2.149 61 D HA -0.174 4.461 4.640 -0.008 0.000 0.198 61 D C 1.715 178.008 176.300 -0.011 0.000 0.990 61 D CA 1.155 55.188 54.000 0.055 0.000 0.839 61 D CB -0.390 40.427 40.800 0.027 0.000 0.948 61 D HN 0.453 nan 8.370 nan 0.000 0.460 62 H N -0.302 118.832 119.070 0.107 0.000 2.521 62 H HA 0.040 4.591 4.556 -0.008 0.000 0.286 62 H C 2.194 177.564 175.328 0.069 0.000 1.034 62 H CA 0.389 56.484 56.048 0.078 0.000 1.278 62 H CB 0.311 30.111 29.762 0.064 0.000 1.386 62 H HN 0.212 nan 8.280 nan 0.000 0.567 63 L N 0.361 121.691 121.223 0.178 0.000 2.127 63 L HA -0.102 4.233 4.340 -0.008 0.000 0.203 63 L C 2.756 179.735 176.870 0.182 0.000 1.080 63 L CA 0.473 55.388 54.840 0.125 0.000 0.768 63 L CB -0.185 41.918 42.059 0.073 0.000 0.924 63 L HN 0.094 nan 8.230 nan 0.000 0.444 64 V N -1.875 118.172 119.914 0.223 0.000 2.282 64 V HA -0.222 3.893 4.120 -0.008 0.000 0.249 64 V C 2.332 178.542 176.094 0.194 0.000 1.057 64 V CA 2.186 64.653 62.300 0.278 0.000 1.032 64 V CB -1.955 29.983 31.823 0.191 0.000 0.645 64 V HN 0.413 nan 8.190 nan 0.000 0.447 65 G N 0.291 109.160 108.800 0.114 0.000 2.446 65 G HA2 -0.260 3.695 3.960 -0.008 0.000 0.217 65 G HA3 -0.260 3.695 3.960 -0.008 0.000 0.217 65 G C 1.763 176.711 174.900 0.079 0.000 1.168 65 G CA 1.094 46.237 45.100 0.071 0.000 0.771 65 G HN 0.566 nan 8.290 nan 0.000 0.551 66 R N -1.489 119.067 120.500 0.093 0.000 2.092 66 R HA -0.065 4.270 4.340 -0.008 0.000 0.231 66 R C 2.269 178.648 176.300 0.131 0.000 1.119 66 R CA 1.066 57.207 56.100 0.068 0.000 0.970 66 R CB -0.334 29.989 30.300 0.038 0.000 0.864 66 R HN 0.488 nan 8.270 nan 0.000 0.440 67 W N 1.659 122.935 121.300 -0.039 0.000 2.379 67 W HA -0.049 4.606 4.660 -0.008 0.000 0.307 67 W C 1.693 178.180 176.519 -0.054 0.000 1.200 67 W CA 0.821 58.139 57.345 -0.046 0.000 1.297 67 W CB -0.549 28.902 29.460 -0.016 0.000 1.140 67 W HN -0.054 nan 8.180 nan 0.000 0.507 68 I N 1.073 121.696 120.570 0.089 0.000 2.179 68 I HA -0.343 3.822 4.170 -0.008 0.000 0.242 68 I C 2.634 178.731 176.117 -0.033 0.000 1.088 68 I CA 1.966 63.232 61.300 -0.057 0.000 1.357 68 I CB -0.566 37.406 38.000 -0.046 0.000 1.051 68 I HN -0.022 nan 8.210 nan 0.000 0.409 69 R N 0.105 120.602 120.500 -0.005 0.000 2.148 69 R HA -0.035 4.300 4.340 -0.008 0.000 0.223 69 R C 1.970 178.235 176.300 -0.059 0.000 1.088 69 R CA 1.422 57.511 56.100 -0.018 0.000 0.985 69 R CB -1.166 29.124 30.300 -0.017 0.000 0.880 69 R HN 0.195 nan 8.270 nan 0.000 0.451 70 T N 1.640 116.136 114.554 -0.096 0.000 2.708 70 T HA -0.106 4.239 4.350 -0.008 0.000 0.266 70 T C 1.823 176.269 174.700 -0.424 0.000 1.037 70 T CA 1.331 63.265 62.100 -0.277 0.000 1.146 70 T CB -0.105 68.638 68.868 -0.208 0.000 0.865 70 T HN 0.221 nan 8.240 nan 0.000 0.435 71 Q N 0.813 120.502 119.800 -0.185 0.000 2.124 71 Q HA -0.083 4.252 4.340 -0.008 0.000 0.202 71 Q C 2.348 178.359 176.000 0.019 0.000 0.977 71 Q CA 1.296 57.059 55.803 -0.067 0.000 0.850 71 Q CB -0.559 28.160 28.738 -0.032 0.000 0.901 71 Q HN 0.463 nan 8.270 nan 0.000 0.429 72 Q N 0.055 119.861 119.800 0.009 0.000 2.124 72 Q HA -0.175 4.160 4.340 -0.008 0.000 0.202 72 Q C 1.868 177.955 176.000 0.144 0.000 0.977 72 Q CA 1.820 57.674 55.803 0.086 0.000 0.850 72 Q CB -0.366 28.404 28.738 0.054 0.000 0.901 72 Q HN 0.550 nan 8.270 nan 0.000 0.429 73 H N -0.993 118.050 119.070 -0.045 0.000 2.319 73 H HA -0.175 4.376 4.556 -0.008 0.000 0.299 73 H C 1.146 176.533 175.328 0.098 0.000 1.092 73 H CA 2.293 58.320 56.048 -0.035 0.000 1.302 73 H CB -0.289 29.376 29.762 -0.161 0.000 1.373 73 H HN 0.344 nan 8.280 nan 0.000 0.497 74 Y N -1.063 119.300 120.300 0.105 0.000 2.274 74 Y HA -0.192 4.353 4.550 -0.009 0.000 0.290 74 Y C 2.415 178.355 175.900 0.067 0.000 1.145 74 Y CA 1.022 59.152 58.100 0.050 0.000 1.203 74 Y CB -1.289 37.251 38.460 0.134 0.000 0.984 74 Y HN 0.361 nan 8.280 nan 0.000 0.533 75 Y N 1.331 121.718 120.300 0.144 0.000 2.163 75 Y HA -0.181 4.364 4.550 -0.008 0.000 0.288 75 Y C 2.128 178.039 175.900 0.018 0.000 1.136 75 Y CA 1.694 59.840 58.100 0.076 0.000 1.147 75 Y CB -0.179 38.315 38.460 0.057 0.000 0.987 75 Y HN 0.044 nan 8.280 nan 0.000 0.509 76 E N 0.541 120.711 120.200 -0.050 0.000 2.031 76 E HA -0.192 4.153 4.350 -0.008 0.000 0.193 76 E C 2.039 178.527 176.600 -0.187 0.000 0.994 76 E CA 1.592 57.896 56.400 -0.161 0.000 0.800 76 E CB -0.337 29.326 29.700 -0.060 0.000 0.752 76 E HN 0.518 nan 8.360 nan 0.000 0.447 77 K N 0.600 120.885 120.400 -0.192 0.000 2.296 77 K HA -0.076 4.239 4.320 -0.008 0.000 0.200 77 K C 0.049 176.587 176.600 -0.104 0.000 1.048 77 K CA 0.499 56.686 56.287 -0.167 0.000 0.966 77 K CB -0.009 32.342 32.500 -0.249 0.000 0.754 77 K HN 0.015 nan 8.250 nan 0.000 0.466 78 D N 0.986 121.339 120.400 -0.079 0.000 2.735 78 D HA -0.107 4.528 4.640 -0.008 0.000 0.235 78 D C -2.400 173.879 176.300 -0.035 0.000 1.175 78 D CA 0.043 54.013 54.000 -0.050 0.000 0.683 78 D CB -0.012 40.727 40.800 -0.102 0.000 1.008 78 D HN 0.168 nan 8.370 nan 0.000 0.416 79 P HA 0.116 nan 4.420 nan 0.000 0.279 79 P C -0.246 177.016 177.300 -0.063 0.000 1.276 79 P CA -0.687 62.383 63.100 -0.050 0.000 0.801 79 P CB 0.668 32.328 31.700 -0.067 0.000 1.127 80 K N 1.027 121.391 120.400 -0.061 0.000 2.412 80 K HA 0.074 4.389 4.320 -0.008 0.000 0.281 80 K C -0.035 176.478 176.600 -0.145 0.000 1.027 80 K CA -0.068 56.175 56.287 -0.072 0.000 0.989 80 K CB 0.221 32.694 32.500 -0.045 0.000 0.935 80 K HN 0.235 nan 8.250 nan 0.000 0.475 81 R N 3.544 123.942 120.500 -0.171 0.000 2.349 81 R HA 0.347 4.682 4.340 -0.008 0.000 0.299 81 R C -0.520 175.484 176.300 -0.493 0.000 1.027 81 R CA -0.421 55.487 56.100 -0.318 0.000 0.958 81 R CB 0.796 30.906 30.300 -0.316 0.000 1.047 81 R HN 0.509 nan 8.270 nan 0.000 0.468 82 I N 4.435 124.658 120.570 -0.578 0.000 2.339 82 I HA 0.222 4.387 4.170 -0.008 0.000 0.290 82 I C -0.733 175.048 176.117 -0.559 0.000 0.994 82 I CA -0.759 60.156 61.300 -0.642 0.000 1.191 82 I CB 0.997 38.516 38.000 -0.802 0.000 1.343 82 I HN 0.530 nan 8.210 nan 0.000 0.458 83 Y N 5.928 126.192 120.300 -0.059 0.000 2.356 83 Y HA 0.287 4.832 4.550 -0.008 0.000 0.334 83 Y C -0.305 175.704 175.900 0.181 0.000 0.958 83 Y CA -0.781 57.414 58.100 0.159 0.000 1.196 83 Y CB 1.126 39.650 38.460 0.107 0.000 1.137 83 Y HN 0.386 nan 8.280 nan 0.000 0.485 84 Y N 4.547 125.029 120.300 0.303 0.000 2.518 84 Y HA 0.469 5.014 4.550 -0.008 0.000 0.344 84 Y C -1.189 174.976 175.900 0.441 0.000 0.982 84 Y CA -1.001 57.284 58.100 0.309 0.000 1.234 84 Y CB 0.280 38.923 38.460 0.306 0.000 1.114 84 Y HN 0.500 nan 8.280 nan 0.000 0.515 85 L N 4.958 126.227 121.223 0.076 0.000 2.265 85 L HA 0.463 4.798 4.340 -0.008 0.000 0.288 85 L C -0.127 176.752 176.870 0.015 0.000 1.058 85 L CA 0.162 55.101 54.840 0.166 0.000 0.809 85 L CB 1.221 43.347 42.059 0.111 0.000 1.179 85 L HN 0.571 nan 8.230 nan 0.000 0.429 86 S N 2.415 118.213 115.700 0.162 0.000 2.536 86 S HA 0.501 4.966 4.470 -0.008 0.000 0.271 86 S C 0.224 174.915 174.600 0.152 0.000 1.134 86 S CA -0.514 57.680 58.200 -0.010 0.000 0.897 86 S CB 1.026 63.982 63.200 -0.406 0.000 1.094 86 S HN 0.463 nan 8.310 nan 0.000 0.473 87 L N 2.846 124.196 121.223 0.211 0.000 2.591 87 L HA 0.445 4.780 4.340 -0.008 0.000 0.228 87 L C 0.278 177.356 176.870 0.347 0.000 1.133 87 L CA 0.986 56.020 54.840 0.324 0.000 0.880 87 L CB -0.116 42.152 42.059 0.348 0.000 1.033 87 L HN 0.645 nan 8.230 nan 0.000 0.450 88 E N -1.305 118.972 120.200 0.129 0.000 2.308 88 E HA 0.403 4.748 4.350 -0.008 0.000 0.275 88 E C -1.397 175.087 176.600 -0.192 0.000 0.890 88 E CA -0.439 56.021 56.400 0.100 0.000 0.754 88 E CB 1.909 31.653 29.700 0.074 0.000 1.207 88 E HN -0.172 nan 8.360 nan 0.000 0.426 89 F N 2.179 122.235 119.950 0.176 0.000 2.902 89 F HA 0.174 4.696 4.527 -0.009 0.000 0.368 89 F C -0.936 174.944 175.800 0.133 0.000 1.202 89 F CA -0.747 57.344 58.000 0.152 0.000 1.109 89 F CB 0.997 40.077 39.000 0.134 0.000 1.418 89 F HN 0.481 nan 8.300 nan 0.000 0.527 90 Y N 5.300 125.672 120.300 0.121 0.000 2.714 90 Y HA 0.225 4.770 4.550 -0.008 0.000 0.333 90 Y C 0.972 176.895 175.900 0.038 0.000 1.220 90 Y CA -1.086 57.039 58.100 0.040 0.000 1.513 90 Y CB 0.359 38.823 38.460 0.007 0.000 1.435 90 Y HN 0.539 nan 8.280 nan 0.000 0.489 91 M N 1.641 121.404 119.600 0.272 0.000 2.288 91 M HA 0.105 4.580 4.480 -0.008 0.000 0.266 91 M C 1.558 177.862 176.300 0.006 0.000 1.072 91 M CA 1.125 56.485 55.300 0.099 0.000 1.132 91 M CB -1.293 31.332 32.600 0.042 0.000 1.386 91 M HN 0.697 nan 8.290 nan 0.000 0.432 92 G N 1.074 109.908 108.800 0.056 0.000 2.562 92 G HA2 -0.267 3.688 3.960 -0.008 0.000 0.250 92 G HA3 -0.267 3.688 3.960 -0.008 0.000 0.250 92 G C -0.274 174.597 174.900 -0.047 0.000 1.269 92 G CA -0.326 44.755 45.100 -0.033 0.000 0.919 92 G HN 0.436 nan 8.290 nan 0.000 0.574 93 R N -0.718 119.728 120.500 -0.091 0.000 2.582 93 R HA 0.550 4.885 4.340 -0.008 0.000 0.271 93 R C 1.117 177.299 176.300 -0.197 0.000 1.078 93 R CA 0.392 56.441 56.100 -0.086 0.000 1.127 93 R CB 0.614 30.869 30.300 -0.075 0.000 1.038 93 R HN 0.537 nan 8.270 nan 0.000 0.500 94 T N 1.165 115.543 114.554 -0.295 0.000 2.969 94 T HA -0.008 4.337 4.350 -0.008 0.000 0.250 94 T C 1.443 175.740 174.700 -0.671 0.000 1.021 94 T CA -0.181 61.530 62.100 -0.648 0.000 1.003 94 T CB 0.129 68.223 68.868 -1.289 0.000 1.040 94 T HN 0.311 nan 8.240 nan 0.000 0.492 95 L N 2.028 123.081 121.223 -0.282 0.000 1.955 95 L HA -0.081 4.254 4.340 -0.008 0.000 0.213 95 L C 2.464 179.295 176.870 -0.066 0.000 1.072 95 L CA 2.042 56.879 54.840 -0.004 0.000 0.755 95 L CB -0.714 41.554 42.059 0.350 0.000 0.888 95 L HN 0.187 nan 8.230 nan 0.000 0.432 96 Q N -0.825 118.939 119.800 -0.059 0.000 2.084 96 Q HA -0.252 4.083 4.340 -0.008 0.000 0.202 96 Q C 2.230 178.158 176.000 -0.121 0.000 0.978 96 Q CA 1.822 57.584 55.803 -0.068 0.000 0.844 96 Q CB -0.315 28.382 28.738 -0.070 0.000 0.898 96 Q HN 0.704 nan 8.270 nan 0.000 0.426 97 N N -0.953 117.635 118.700 -0.187 0.000 2.149 97 N HA -0.148 4.587 4.740 -0.008 0.000 0.188 97 N C 1.329 176.731 175.510 -0.181 0.000 1.019 97 N CA 1.771 54.701 53.050 -0.199 0.000 0.857 97 N CB 0.069 38.403 38.487 -0.254 0.000 0.997 97 N HN 0.215 nan 8.380 nan 0.000 0.426 98 T N 1.204 115.617 114.554 -0.236 0.000 2.777 98 T HA -0.034 4.311 4.350 -0.008 0.000 0.266 98 T C 2.058 176.696 174.700 -0.105 0.000 1.040 98 T CA 0.992 62.971 62.100 -0.201 0.000 1.141 98 T CB -0.046 68.658 68.868 -0.273 0.000 0.868 98 T HN 0.266 nan 8.240 nan 0.000 0.444 99 M N 0.582 120.137 119.600 -0.074 0.000 2.117 99 M HA -0.079 4.396 4.480 -0.008 0.000 0.262 99 M C 2.466 178.731 176.300 -0.058 0.000 1.065 99 M CA 1.204 56.475 55.300 -0.049 0.000 1.114 99 M CB -0.627 31.961 32.600 -0.021 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 0.998 120.883 119.914 -0.048 0.000 2.287 100 V HA -0.276 3.839 4.120 -0.008 0.000 0.248 100 V C 1.764 177.861 176.094 0.005 0.000 1.053 100 V CA 1.995 64.292 62.300 -0.005 0.000 1.027 100 V CB -0.883 30.942 31.823 0.004 0.000 0.646 100 V HN 0.472 nan 8.190 nan 0.000 0.447 101 N N -0.377 118.313 118.700 -0.018 0.000 2.396 101 N HA -0.045 4.690 4.740 -0.008 0.000 0.180 101 N C 1.061 176.464 175.510 -0.177 0.000 1.028 101 N CA 0.726 53.742 53.050 -0.058 0.000 0.893 101 N CB -0.110 38.357 38.487 -0.033 0.000 0.967 101 N HN 0.293 nan 8.380 nan 0.000 0.440 102 L N -0.260 120.880 121.223 -0.138 0.000 2.640 102 L HA 0.411 4.746 4.340 -0.008 0.000 0.230 102 L C 0.497 177.276 176.870 -0.152 0.000 1.123 102 L CA -0.236 54.522 54.840 -0.137 0.000 0.900 102 L CB -0.659 41.346 42.059 -0.091 0.000 1.146 102 L HN 0.086 nan 8.230 nan 0.000 0.484 103 A N -0.454 122.272 122.820 -0.156 0.000 2.791 103 A HA -0.218 4.097 4.320 -0.008 0.000 0.292 103 A C 0.995 178.515 177.584 -0.106 0.000 1.487 103 A CA 0.949 52.907 52.037 -0.132 0.000 0.760 103 A CB -1.901 17.006 19.000 -0.156 0.000 1.031 103 A HN 0.225 nan 8.150 nan 0.000 0.503 104 L N -0.971 120.193 121.223 -0.100 0.000 2.766 104 L HA 0.265 4.600 4.340 -0.008 0.000 0.242 104 L C 1.777 178.611 176.870 -0.059 0.000 1.136 104 L CA 1.385 56.164 54.840 -0.102 0.000 0.933 104 L CB -0.148 41.824 42.059 -0.145 0.000 1.241 104 L HN 0.614 nan 8.230 nan 0.000 0.522 105 E N -0.057 120.117 120.200 -0.043 0.000 2.049 105 E HA -0.246 4.099 4.350 -0.008 0.000 0.198 105 E C 1.559 178.147 176.600 -0.020 0.000 1.007 105 E CA 1.573 57.958 56.400 -0.024 0.000 0.809 105 E CB 0.249 29.937 29.700 -0.019 0.000 0.749 105 E HN 0.416 nan 8.360 nan 0.000 0.450 106 N N -0.053 118.632 118.700 -0.026 0.000 2.188 106 N HA -0.115 4.620 4.740 -0.008 0.000 0.184 106 N C 1.576 177.073 175.510 -0.023 0.000 1.018 106 N CA 1.175 54.210 53.050 -0.026 0.000 0.858 106 N CB -0.363 38.108 38.487 -0.027 0.000 0.989 106 N HN 0.218 nan 8.380 nan 0.000 0.426 107 A N 0.549 123.353 122.820 -0.027 0.000 1.877 107 A HA -0.156 4.159 4.320 -0.008 0.000 0.216 107 A C 2.663 180.241 177.584 -0.009 0.000 1.186 107 A CA 1.405 53.429 52.037 -0.021 0.000 0.620 107 A CB -1.051 17.925 19.000 -0.039 0.000 0.822 107 A HN 0.439 nan 8.150 nan 0.000 0.443 108 C N -0.809 118.486 119.300 -0.008 0.000 2.435 108 C HA -0.062 4.394 4.460 -0.008 0.000 0.279 108 C C 2.461 177.456 174.990 0.008 0.000 1.321 108 C CA 1.101 60.126 59.018 0.011 0.000 1.752 108 C CB -1.116 26.643 27.740 0.031 0.000 1.959 108 C HN 0.701 nan 8.230 nan 0.000 0.500 109 D N 0.738 121.141 120.400 0.005 0.000 2.097 109 D HA -0.135 4.500 4.640 -0.008 0.000 0.197 109 D C 2.128 178.445 176.300 0.028 0.000 0.984 109 D CA 1.499 55.504 54.000 0.009 0.000 0.826 109 D CB -0.238 40.555 40.800 -0.011 0.000 0.973 109 D HN 0.471 nan 8.370 nan 0.000 0.460 110 E N 0.333 120.545 120.200 0.018 0.000 2.028 110 E HA -0.063 4.282 4.350 -0.008 0.000 0.191 110 E C 1.917 178.562 176.600 0.075 0.000 0.988 110 E CA 1.684 58.119 56.400 0.057 0.000 0.799 110 E CB -0.628 29.088 29.700 0.026 0.000 0.755 110 E HN 0.202 nan 8.360 nan 0.000 0.447 111 A N -0.065 122.763 122.820 0.014 0.000 1.892 111 A HA -0.248 4.067 4.320 -0.008 0.000 0.218 111 A C 2.518 180.030 177.584 -0.120 0.000 1.188 111 A CA 3.105 55.121 52.037 -0.035 0.000 0.631 111 A CB -1.582 17.401 19.000 -0.028 0.000 0.822 111 A HN 0.538 nan 8.150 nan 0.000 0.447 112 T N -3.842 110.634 114.554 -0.130 0.000 2.867 112 T HA -0.194 4.151 4.350 -0.008 0.000 0.268 112 T C 1.813 176.430 174.700 -0.138 0.000 1.057 112 T CA 1.493 63.454 62.100 -0.233 0.000 1.136 112 T CB -0.535 68.237 68.868 -0.161 0.000 0.874 112 T HN 0.474 nan 8.240 nan 0.000 0.466 113 Y N 2.216 122.436 120.300 -0.133 0.000 2.145 113 Y HA -0.079 4.466 4.550 -0.007 0.000 0.286 113 Y C 2.617 178.455 175.900 -0.103 0.000 1.145 113 Y CA 1.526 59.566 58.100 -0.099 0.000 1.148 113 Y CB -0.616 37.804 38.460 -0.066 0.000 0.981 113 Y HN 0.232 nan 8.280 nan 0.000 0.507 114 Q N -0.866 118.828 119.800 -0.177 0.000 2.291 114 Q HA -0.135 4.200 4.340 -0.008 0.000 0.206 114 Q C 1.501 177.351 176.000 -0.249 0.000 0.976 114 Q CA 0.991 56.652 55.803 -0.237 0.000 0.875 114 Q CB -0.105 28.587 28.738 -0.077 0.000 0.927 114 Q HN 0.350 nan 8.270 nan 0.000 0.450 115 L N -0.892 120.175 121.223 -0.259 0.000 2.591 115 L HA 0.144 4.479 4.340 -0.008 0.000 0.228 115 L C 1.100 177.803 176.870 -0.279 0.000 1.133 115 L CA 1.162 55.840 54.840 -0.269 0.000 0.880 115 L CB -0.308 41.509 42.059 -0.404 0.000 1.033 115 L HN 0.306 nan 8.230 nan 0.000 0.450 116 G N -0.251 108.365 108.800 -0.307 0.000 2.160 116 G HA2 -0.253 3.702 3.960 -0.008 0.000 0.244 116 G HA3 -0.253 3.702 3.960 -0.008 0.000 0.244 116 G C 0.104 174.867 174.900 -0.228 0.000 1.022 116 G CA 0.336 45.272 45.100 -0.273 0.000 0.741 116 G HN 0.290 nan 8.290 nan 0.000 0.508 117 L N -0.294 120.791 121.223 -0.230 0.000 2.341 117 L HA 0.605 4.940 4.340 -0.008 0.000 0.267 117 L C -0.587 176.247 176.870 -0.060 0.000 1.009 117 L CA -1.173 53.559 54.840 -0.180 0.000 0.819 117 L CB 1.892 43.778 42.059 -0.287 0.000 1.323 117 L HN 0.079 nan 8.230 nan 0.000 0.425 118 D N 2.101 122.495 120.400 -0.009 0.000 2.396 118 D HA 0.176 4.811 4.640 -0.008 0.000 0.225 118 D C 0.660 176.988 176.300 0.047 0.000 1.121 118 D CA -0.262 53.761 54.000 0.039 0.000 0.853 118 D CB 1.471 42.299 40.800 0.046 0.000 1.043 118 D HN 0.507 nan 8.370 nan 0.000 0.500 119 M N 3.117 122.745 119.600 0.048 0.000 2.149 119 M HA -0.167 4.308 4.480 -0.008 0.000 0.261 119 M C 1.361 177.706 176.300 0.075 0.000 1.064 119 M CA 1.596 56.935 55.300 0.065 0.000 1.102 119 M CB 0.182 32.814 32.600 0.053 0.000 1.369 119 M HN 0.421 nan 8.290 nan 0.000 0.408 120 E N -0.205 120.030 120.200 0.058 0.000 2.110 120 E HA -0.271 4.074 4.350 -0.008 0.000 0.193 120 E C 1.858 178.495 176.600 0.062 0.000 0.988 120 E CA 1.546 57.979 56.400 0.054 0.000 0.804 120 E CB -0.160 29.568 29.700 0.047 0.000 0.745 120 E HN 0.646 nan 8.360 nan 0.000 0.458 121 E N 0.330 120.570 120.200 0.066 0.000 2.106 121 E HA -0.198 4.147 4.350 -0.008 0.000 0.192 121 E C 1.892 178.539 176.600 0.079 0.000 0.984 121 E CA 0.592 57.032 56.400 0.067 0.000 0.806 121 E CB 0.170 29.910 29.700 0.066 0.000 0.750 121 E HN 0.078 nan 8.360 nan 0.000 0.458 122 L N 1.379 122.670 121.223 0.114 0.000 2.093 122 L HA -0.116 4.219 4.340 -0.008 0.000 0.208 122 L C 2.041 178.987 176.870 0.126 0.000 1.085 122 L CA 1.615 56.559 54.840 0.175 0.000 0.755 122 L CB -0.541 41.672 42.059 0.256 0.000 0.904 122 L HN 0.135 nan 8.230 nan 0.000 0.435 123 E N -0.646 119.616 120.200 0.103 0.000 2.153 123 E HA -0.198 4.147 4.350 -0.008 0.000 0.194 123 E C 1.771 178.344 176.600 -0.045 0.000 0.988 123 E CA 0.801 57.234 56.400 0.054 0.000 0.811 123 E CB -0.043 29.690 29.700 0.055 0.000 0.746 123 E HN 0.425 nan 8.360 nan 0.000 0.466 124 E N 0.388 120.576 120.200 -0.019 0.000 2.409 124 E HA -0.105 4.240 4.350 -0.008 0.000 0.198 124 E C 1.869 178.414 176.600 -0.092 0.000 1.024 124 E CA 0.541 56.928 56.400 -0.023 0.000 0.861 124 E CB 0.051 29.769 29.700 0.030 0.000 0.788 124 E HN 0.430 nan 8.360 nan 0.000 0.521 125 I N 0.726 121.183 120.570 -0.189 0.000 2.716 125 I HA -0.090 4.075 4.170 -0.008 0.000 0.259 125 I C 1.384 177.198 176.117 -0.504 0.000 1.172 125 I CA 0.154 61.277 61.300 -0.295 0.000 1.478 125 I CB 0.055 37.894 38.000 -0.269 0.000 1.104 125 I HN -0.012 nan 8.210 nan 0.000 0.439 126 E N 2.716 122.488 120.200 -0.712 0.000 2.414 126 E HA -0.036 4.310 4.350 -0.008 0.000 0.263 126 E C -0.230 176.272 176.600 -0.162 0.000 1.000 126 E CA -0.184 55.847 56.400 -0.615 0.000 0.914 126 E CB 0.670 30.131 29.700 -0.398 0.000 0.948 126 E HN 0.083 nan 8.360 nan 0.000 0.444 127 E N 3.268 123.470 120.200 0.002 0.000 2.331 127 E HA 0.080 4.425 4.350 -0.008 0.000 0.272 127 E C -0.853 175.852 176.600 0.176 0.000 1.036 127 E CA -0.291 56.196 56.400 0.145 0.000 0.864 127 E CB 0.872 30.746 29.700 0.289 0.000 1.035 127 E HN 0.487 nan 8.360 nan 0.000 0.408 128 D N 0.748 121.232 120.400 0.140 0.000 2.389 128 D HA 0.179 4.814 4.640 -0.008 0.000 0.247 128 D C -0.498 175.856 176.300 0.090 0.000 1.128 128 D CA 0.052 54.115 54.000 0.105 0.000 0.884 128 D CB 0.701 41.559 40.800 0.097 0.000 1.194 128 D HN 0.373 nan 8.370 nan 0.000 0.441 129 A N 2.714 125.550 122.820 0.027 0.000 2.666 129 A HA 0.476 4.791 4.320 -0.008 0.000 0.312 129 A C 0.942 178.371 177.584 -0.258 0.000 1.471 129 A CA -0.396 51.475 52.037 -0.276 0.000 1.134 129 A CB -0.142 18.770 19.000 -0.146 0.000 1.129 129 A HN 0.513 nan 8.150 nan 0.000 0.539 130 G N 2.185 110.744 108.800 -0.401 0.000 3.717 130 G HA2 0.426 4.381 3.960 -0.008 0.000 0.258 130 G HA3 0.426 4.381 3.960 -0.008 0.000 0.258 130 G C 0.269 174.812 174.900 -0.595 0.000 1.088 130 G CA -0.314 44.516 45.100 -0.450 0.000 1.737 130 G HN 0.694 nan 8.290 nan 0.000 0.648 131 L N 1.474 122.446 121.223 -0.418 0.000 2.939 131 L HA 0.383 4.718 4.340 -0.008 0.000 0.239 131 L C 1.012 177.806 176.870 -0.126 0.000 1.325 131 L CA -0.218 54.530 54.840 -0.153 0.000 1.170 131 L CB -0.336 41.774 42.059 0.084 0.000 1.538 131 L HN 0.344 nan 8.230 nan 0.000 0.452 132 G N -1.220 107.288 108.800 -0.486 0.000 2.677 132 G HA2 0.199 4.154 3.960 -0.008 0.000 0.291 132 G HA3 0.199 4.154 3.960 -0.008 0.000 0.291 132 G C -0.153 174.452 174.900 -0.493 0.000 1.435 132 G CA -0.458 44.425 45.100 -0.362 0.000 0.826 132 G HN -0.066 nan 8.290 nan 0.000 0.491 133 N N -0.761 117.853 118.700 -0.144 0.000 2.432 133 N HA 0.210 4.945 4.740 -0.008 0.000 0.174 133 N C 1.137 176.717 175.510 0.117 0.000 1.037 133 N CA 1.263 54.285 53.050 -0.047 0.000 0.892 133 N CB 1.309 39.824 38.487 0.047 0.000 1.049 133 N HN 0.844 nan 8.380 nan 0.000 0.442 134 G N -0.621 108.303 108.800 0.207 0.000 2.725 134 G HA2 0.156 4.111 3.960 -0.008 0.000 0.098 134 G HA3 0.156 4.111 3.960 -0.008 0.000 0.098 134 G C 0.713 175.708 174.900 0.158 0.000 1.188 134 G CA 0.187 45.428 45.100 0.237 0.000 1.237 134 G HN 0.122 nan 8.290 nan 0.000 0.596 135 G N 0.243 109.090 108.800 0.079 0.000 2.469 135 G HA2 -0.037 3.918 3.960 -0.008 0.000 0.219 135 G HA3 -0.037 3.918 3.960 -0.008 0.000 0.219 135 G C 1.850 176.733 174.900 -0.028 0.000 1.150 135 G CA 1.901 47.010 45.100 0.014 0.000 0.763 135 G HN 0.779 nan 8.290 nan 0.000 0.561 136 L N 1.408 122.606 121.223 -0.041 0.000 2.017 136 L HA 0.169 4.504 4.340 -0.008 0.000 0.208 136 L C 2.796 179.600 176.870 -0.109 0.000 1.073 136 L CA 2.486 57.230 54.840 -0.159 0.000 0.745 136 L CB -1.007 40.947 42.059 -0.176 0.000 0.894 136 L HN 0.152 nan 8.230 nan 0.000 0.432 137 G N -1.185 107.614 108.800 -0.002 0.000 2.422 137 G HA2 -0.245 3.711 3.960 -0.008 0.000 0.218 137 G HA3 -0.245 3.711 3.960 -0.008 0.000 0.218 137 G C 1.748 176.702 174.900 0.091 0.000 1.140 137 G CA 0.455 45.576 45.100 0.035 0.000 0.775 137 G HN 0.231 nan 8.290 nan 0.000 0.545 138 R N 0.227 120.791 120.500 0.108 0.000 2.090 138 R HA 0.100 4.435 4.340 -0.008 0.000 0.228 138 R C 2.404 178.693 176.300 -0.019 0.000 1.110 138 R CA 0.729 56.872 56.100 0.072 0.000 0.973 138 R CB -1.032 29.273 30.300 0.008 0.000 0.869 138 R HN 0.385 nan 8.270 nan 0.000 0.440 139 L N 0.650 121.790 121.223 -0.138 0.000 2.046 139 L HA -0.056 4.279 4.340 -0.008 0.000 0.208 139 L C 2.170 178.723 176.870 -0.527 0.000 1.077 139 L CA 2.223 56.833 54.840 -0.383 0.000 0.747 139 L CB -0.802 40.989 42.059 -0.448 0.000 0.896 139 L HN 0.194 nan 8.230 nan 0.000 0.432 140 A N -0.580 122.072 122.820 -0.280 0.000 1.908 140 A HA -0.151 4.164 4.320 -0.008 0.000 0.218 140 A C 2.441 180.074 177.584 0.083 0.000 1.181 140 A CA 1.898 53.850 52.037 -0.141 0.000 0.627 140 A CB -1.149 17.727 19.000 -0.206 0.000 0.818 140 A HN 0.581 nan 8.150 nan 0.000 0.445 141 A N -1.053 121.849 122.820 0.137 0.000 1.873 141 A HA -0.152 4.163 4.320 -0.008 0.000 0.215 141 A C 2.312 179.975 177.584 0.132 0.000 1.186 141 A CA 1.628 53.779 52.037 0.191 0.000 0.616 141 A CB -1.277 17.823 19.000 0.168 0.000 0.823 141 A HN 0.598 nan 8.150 nan 0.000 0.442 142 C N -1.386 117.986 119.300 0.119 0.000 2.425 142 C HA -0.072 4.383 4.460 -0.008 0.000 0.277 142 C C 2.430 177.584 174.990 0.273 0.000 1.280 142 C CA 0.611 59.739 59.018 0.185 0.000 1.744 142 C CB -1.634 26.234 27.740 0.214 0.000 1.989 142 C HN 0.602 nan 8.230 nan 0.000 0.491 143 F N 1.178 121.109 119.950 -0.032 0.000 2.134 143 F HA -0.077 4.445 4.527 -0.009 0.000 0.299 143 F C 2.242 177.982 175.800 -0.099 0.000 1.097 143 F CA 1.031 58.958 58.000 -0.122 0.000 1.264 143 F CB -1.401 37.380 39.000 -0.365 0.000 1.001 143 F HN 0.198 nan 8.300 nan 0.000 0.479 144 L N -0.411 120.893 121.223 0.136 0.000 2.046 144 L HA -0.245 4.090 4.340 -0.008 0.000 0.208 144 L C 2.144 179.028 176.870 0.022 0.000 1.077 144 L CA 1.872 56.746 54.840 0.057 0.000 0.747 144 L CB -0.741 41.356 42.059 0.063 0.000 0.896 144 L HN 0.105 nan 8.230 nan 0.000 0.432 145 D N -0.491 119.933 120.400 0.040 0.000 2.097 145 D HA -0.175 4.460 4.640 -0.008 0.000 0.195 145 D C 2.213 178.528 176.300 0.026 0.000 0.989 145 D CA 1.505 55.513 54.000 0.013 0.000 0.827 145 D CB 0.199 41.007 40.800 0.013 0.000 0.966 145 D HN 0.071 nan 8.370 nan 0.000 0.456 146 S N -0.715 115.016 115.700 0.053 0.000 2.383 146 S HA -0.105 4.360 4.470 -0.008 0.000 0.227 146 S C 1.993 176.603 174.600 0.017 0.000 1.026 146 S CA 0.875 59.096 58.200 0.036 0.000 0.981 146 S CB -0.221 63.004 63.200 0.042 0.000 0.818 146 S HN 0.348 nan 8.310 nan 0.000 0.472 147 M N 0.904 120.507 119.600 0.006 0.000 2.159 147 M HA -0.087 4.388 4.480 -0.008 0.000 0.263 147 M C 2.416 178.715 176.300 -0.002 0.000 1.063 147 M CA 1.373 56.673 55.300 -0.000 0.000 1.110 147 M CB -0.494 32.086 32.600 -0.033 0.000 1.374 147 M HN 0.393 nan 8.290 nan 0.000 0.411 148 A N -0.355 122.461 122.820 -0.007 0.000 1.929 148 A HA -0.088 4.227 4.320 -0.008 0.000 0.216 148 A C 2.151 179.746 177.584 0.018 0.000 1.176 148 A CA 1.767 53.802 52.037 -0.003 0.000 0.628 148 A CB -0.932 18.049 19.000 -0.031 0.000 0.816 148 A HN 0.396 nan 8.150 nan 0.000 0.444 149 T N 0.261 114.831 114.554 0.027 0.000 2.915 149 T HA 0.037 4.383 4.350 -0.008 0.000 0.269 149 T C 1.235 175.962 174.700 0.045 0.000 1.071 149 T CA 0.936 63.066 62.100 0.049 0.000 1.132 149 T CB -0.246 68.659 68.868 0.061 0.000 0.878 149 T HN 0.330 nan 8.240 nan 0.000 0.479 150 L N 0.507 121.752 121.223 0.038 0.000 2.685 150 L HA 0.313 4.648 4.340 -0.008 0.000 0.233 150 L C 1.587 178.486 176.870 0.049 0.000 1.173 150 L CA -0.177 54.687 54.840 0.041 0.000 0.961 150 L CB -0.366 41.717 42.059 0.040 0.000 1.217 150 L HN 0.361 nan 8.230 nan 0.000 0.478 151 G N 1.202 110.034 108.800 0.054 0.000 2.283 151 G HA2 -0.291 3.664 3.960 -0.008 0.000 0.280 151 G HA3 -0.291 3.664 3.960 -0.008 0.000 0.280 151 G C 0.141 175.090 174.900 0.081 0.000 1.029 151 G CA 0.148 45.298 45.100 0.084 0.000 0.840 151 G HN 0.301 nan 8.290 nan 0.000 0.505 152 L N -0.298 120.941 121.223 0.026 0.000 2.375 152 L HA 0.601 4.936 4.340 -0.008 0.000 0.271 152 L C 1.191 177.939 176.870 -0.202 0.000 1.107 152 L CA -0.366 54.441 54.840 -0.055 0.000 0.806 152 L CB 1.581 43.619 42.059 -0.035 0.000 1.146 152 L HN 0.243 nan 8.230 nan 0.000 0.447 153 A N 2.945 125.499 122.820 -0.443 0.000 2.990 153 A HA 0.568 4.883 4.320 -0.008 0.000 0.282 153 A C 0.292 177.515 177.584 -0.602 0.000 1.688 153 A CA -0.197 51.278 52.037 -0.936 0.000 1.391 153 A CB -0.627 17.692 19.000 -1.134 0.000 1.112 153 A HN 0.697 nan 8.150 nan 0.000 0.588 154 A N 1.352 123.871 122.820 -0.502 0.000 2.325 154 A HA 0.801 5.116 4.320 -0.008 0.000 0.333 154 A C -0.996 176.309 177.584 -0.465 0.000 1.155 154 A CA -0.449 51.353 52.037 -0.391 0.000 0.814 154 A CB 0.722 19.568 19.000 -0.257 0.000 1.206 154 A HN 0.620 nan 8.150 nan 0.000 0.482 155 Y N 0.180 120.412 120.300 -0.114 0.000 2.406 155 Y HA 0.540 5.085 4.550 -0.008 0.000 0.340 155 Y C 0.809 176.777 175.900 0.112 0.000 0.975 155 Y CA -0.535 57.561 58.100 -0.006 0.000 1.056 155 Y CB 2.437 40.974 38.460 0.128 0.000 1.210 155 Y HN 0.839 nan 8.280 nan 0.000 0.448 156 G N 2.037 110.900 108.800 0.105 0.000 2.332 156 G HA2 0.468 4.423 3.960 -0.008 0.000 0.310 156 G HA3 0.468 4.423 3.960 -0.008 0.000 0.310 156 G C -1.820 173.082 174.900 0.003 0.000 1.123 156 G CA -0.294 44.914 45.100 0.180 0.000 0.873 156 G HN 0.515 nan 8.290 nan 0.000 0.460 157 Y N 1.000 121.527 120.300 0.379 0.000 2.350 157 Y HA 0.624 5.169 4.550 -0.008 0.000 0.338 157 Y C 0.749 176.946 175.900 0.496 0.000 0.961 157 Y CA 0.169 58.455 58.100 0.310 0.000 1.100 157 Y CB 2.611 41.277 38.460 0.343 0.000 1.179 157 Y HN 0.869 nan 8.280 nan 0.000 0.454 158 G N 2.406 111.518 108.800 0.520 0.000 2.846 158 G HA2 0.617 4.572 3.960 -0.008 0.000 0.299 158 G HA3 0.617 4.572 3.960 -0.008 0.000 0.299 158 G C -1.701 173.428 174.900 0.382 0.000 1.242 158 G CA -0.818 44.619 45.100 0.561 0.000 0.800 158 G HN 0.417 nan 8.290 nan 0.000 0.538 159 I N 0.513 121.202 120.570 0.197 0.000 2.474 159 I HA 0.429 4.594 4.170 -0.008 0.000 0.294 159 I C 0.197 176.201 176.117 -0.187 0.000 1.005 159 I CA -0.728 60.576 61.300 0.006 0.000 1.113 159 I CB 2.296 40.129 38.000 -0.278 0.000 1.289 159 I HN 0.371 nan 8.210 nan 0.000 0.436 160 R N 6.047 126.546 120.500 -0.000 0.000 2.608 160 R HA 0.232 4.567 4.340 -0.008 0.000 0.277 160 R C -1.223 175.124 176.300 0.079 0.000 1.341 160 R CA -0.409 55.725 56.100 0.057 0.000 1.199 160 R CB -0.058 30.252 30.300 0.017 0.000 1.156 160 R HN 0.386 nan 8.270 nan 0.000 0.558 161 Y N 1.435 121.889 120.300 0.257 0.000 2.511 161 Y HA -0.075 4.470 4.550 -0.008 0.000 0.332 161 Y C 1.562 177.638 175.900 0.295 0.000 1.177 161 Y CA 0.071 58.313 58.100 0.236 0.000 1.422 161 Y CB 0.792 39.363 38.460 0.186 0.000 1.271 161 Y HN 0.587 nan 8.280 nan 0.000 0.550 162 E N 1.824 122.214 120.200 0.317 0.000 2.152 162 E HA -0.038 4.307 4.350 -0.008 0.000 0.192 162 E C -0.751 175.734 176.600 -0.193 0.000 0.983 162 E CA 0.648 57.038 56.400 -0.016 0.000 0.818 162 E CB 0.195 29.817 29.700 -0.130 0.000 0.758 162 E HN 0.492 nan 8.360 nan 0.000 0.467 163 F N -0.382 119.786 119.950 0.363 0.000 2.507 163 F HA 0.431 4.953 4.527 -0.008 0.000 0.328 163 F C 0.749 176.628 175.800 0.131 0.000 1.136 163 F CA -0.890 57.276 58.000 0.277 0.000 0.930 163 F CB 1.868 40.964 39.000 0.160 0.000 1.166 163 F HN -0.117 nan 8.300 nan 0.000 0.436 164 G N 1.842 110.726 108.800 0.140 0.000 2.531 164 G HA2 0.351 4.306 3.960 -0.008 0.000 0.253 164 G HA3 0.351 4.306 3.960 -0.008 0.000 0.253 164 G C -0.545 174.296 174.900 -0.099 0.000 1.439 164 G CA -0.682 44.342 45.100 -0.126 0.000 1.056 164 G HN 0.544 nan 8.290 nan 0.000 0.555 165 I N 0.979 121.402 120.570 -0.244 0.000 2.752 165 I HA 0.211 4.376 4.170 -0.008 0.000 0.289 165 I C 0.523 176.533 176.117 -0.179 0.000 1.197 165 I CA -1.161 59.978 61.300 -0.268 0.000 1.432 165 I CB -0.323 37.418 38.000 -0.431 0.000 1.359 165 I HN 0.327 nan 8.210 nan 0.000 0.571 166 F N 6.381 126.340 119.950 0.015 0.000 2.589 166 F HA 0.266 4.788 4.527 -0.008 0.000 0.352 166 F C 0.463 176.314 175.800 0.085 0.000 1.168 166 F CA -0.547 57.487 58.000 0.057 0.000 1.353 166 F CB -0.280 38.743 39.000 0.038 0.000 1.116 166 F HN 0.428 nan 8.300 nan 0.000 0.608 167 N N 2.239 121.129 118.700 0.316 0.000 2.488 167 N HA 0.066 4.801 4.740 -0.008 0.000 0.274 167 N C -0.876 174.879 175.510 0.409 0.000 1.111 167 N CA -0.317 52.886 53.050 0.255 0.000 0.974 167 N CB 1.251 39.874 38.487 0.227 0.000 1.089 167 N HN 0.754 nan 8.380 nan 0.000 0.465 168 Q N 2.414 122.424 119.800 0.350 0.000 2.274 168 Q HA 0.184 4.519 4.340 -0.008 0.000 0.256 168 Q C -0.968 175.205 176.000 0.289 0.000 0.927 168 Q CA -0.366 55.679 55.803 0.404 0.000 0.939 168 Q CB 0.727 29.708 28.738 0.405 0.000 1.201 168 Q HN 0.234 nan 8.270 nan 0.000 0.426 169 K N 4.247 124.791 120.400 0.239 0.000 2.259 169 K HA 0.471 4.786 4.320 -0.008 0.000 0.252 169 K C -0.734 175.961 176.600 0.159 0.000 0.936 169 K CA -0.883 55.519 56.287 0.191 0.000 0.810 169 K CB 1.616 34.208 32.500 0.154 0.000 1.143 169 K HN 0.628 nan 8.250 nan 0.000 0.427 170 I N 2.651 123.306 120.570 0.142 0.000 2.330 170 I HA 0.226 4.392 4.170 -0.008 0.000 0.289 170 I C -0.284 175.886 176.117 0.089 0.000 1.001 170 I CA -0.656 60.696 61.300 0.086 0.000 1.193 170 I CB 0.756 38.785 38.000 0.048 0.000 1.345 170 I HN 0.429 nan 8.210 nan 0.000 0.461 171 C N 3.913 123.277 119.300 0.105 0.000 2.346 171 C HA 0.595 5.051 4.460 -0.008 0.000 0.326 171 C C 1.128 176.219 174.990 0.168 0.000 1.224 171 C CA -0.524 58.563 59.018 0.115 0.000 1.408 171 C CB 0.580 28.382 27.740 0.103 0.000 2.089 171 C HN 1.089 nan 8.230 nan 0.000 0.456 172 G N 2.325 111.198 108.800 0.122 0.000 2.225 172 G HA2 0.121 4.076 3.960 -0.008 0.000 0.267 172 G HA3 0.121 4.076 3.960 -0.008 0.000 0.267 172 G C 1.099 176.030 174.900 0.052 0.000 1.024 172 G CA 0.998 46.184 45.100 0.144 0.000 0.784 172 G HN 2.426 nan 8.290 nan 0.000 0.507 173 G N -2.959 105.810 108.800 -0.052 0.000 2.179 173 G HA2 -0.290 3.665 3.960 -0.008 0.000 0.260 173 G HA3 -0.290 3.665 3.960 -0.008 0.000 0.260 173 G C 0.355 175.025 174.900 -0.384 0.000 0.977 173 G CA 0.704 45.651 45.100 -0.255 0.000 0.641 173 G HN 1.212 nan 8.290 nan 0.000 0.533 174 W N 0.691 121.932 121.300 -0.099 0.000 2.512 174 W HA 0.669 5.324 4.660 -0.008 0.000 0.335 174 W C 0.594 177.051 176.519 -0.103 0.000 1.088 174 W CA -0.889 56.390 57.345 -0.110 0.000 1.236 174 W CB 0.842 30.255 29.460 -0.079 0.000 1.307 174 W HN 0.246 nan 8.180 nan 0.000 0.567 175 Q N 2.941 122.830 119.800 0.149 0.000 2.304 175 Q HA 0.291 4.626 4.340 -0.008 0.000 0.260 175 Q C -0.651 175.398 176.000 0.082 0.000 0.965 175 Q CA 0.061 55.918 55.803 0.090 0.000 0.898 175 Q CB 0.589 29.372 28.738 0.076 0.000 1.196 175 Q HN 0.314 nan 8.270 nan 0.000 0.402 176 M N 3.087 122.732 119.600 0.074 0.000 2.465 176 M HA 0.400 4.875 4.480 -0.008 0.000 0.316 176 M C -1.150 175.154 176.300 0.006 0.000 1.121 176 M CA -0.669 54.644 55.300 0.021 0.000 0.934 176 M CB 1.839 34.467 32.600 0.046 0.000 1.692 176 M HN 0.628 nan 8.290 nan 0.000 0.444 177 E N 1.633 121.767 120.200 -0.111 0.000 2.191 177 E HA 0.532 4.877 4.350 -0.008 0.000 0.274 177 E C -0.757 175.830 176.600 -0.022 0.000 0.948 177 E CA -0.631 55.670 56.400 -0.165 0.000 0.802 177 E CB 1.856 31.183 29.700 -0.621 0.000 1.137 177 E HN 0.530 nan 8.360 nan 0.000 0.397 178 E N 0.832 121.100 120.200 0.113 0.000 2.331 178 E HA 0.682 5.027 4.350 -0.008 0.000 0.275 178 E C -1.144 175.552 176.600 0.160 0.000 0.895 178 E CA -1.444 55.016 56.400 0.101 0.000 0.753 178 E CB 1.422 31.190 29.700 0.113 0.000 1.216 178 E HN 0.487 nan 8.360 nan 0.000 0.434 179 A N 2.491 125.365 122.820 0.090 0.000 2.567 179 A HA 0.011 4.326 4.320 -0.008 0.000 0.240 179 A C 0.022 177.791 177.584 0.308 0.000 1.053 179 A CA 0.516 52.624 52.037 0.118 0.000 0.755 179 A CB -0.083 18.862 19.000 -0.091 0.000 0.978 179 A HN 0.680 nan 8.150 nan 0.000 0.507 180 D N 1.837 122.491 120.400 0.423 0.000 2.522 180 D HA 0.194 4.829 4.640 -0.008 0.000 0.218 180 D C -0.363 176.265 176.300 0.545 0.000 1.149 180 D CA -0.210 54.032 54.000 0.403 0.000 0.981 180 D CB 0.269 41.233 40.800 0.273 0.000 1.041 180 D HN 0.404 nan 8.370 nan 0.000 0.518 181 D N 3.535 124.219 120.400 0.472 0.000 2.801 181 D HA -0.031 4.604 4.640 -0.008 0.000 0.232 181 D C 1.245 177.673 176.300 0.213 0.000 1.128 181 D CA -0.548 53.627 54.000 0.292 0.000 1.003 181 D CB -0.205 40.778 40.800 0.304 0.000 1.110 181 D HN 0.526 nan 8.370 nan 0.000 0.477 182 W N 1.764 123.087 121.300 0.038 0.000 2.468 182 W HA -0.060 4.595 4.660 -0.008 0.000 0.262 182 W C 0.072 176.637 176.519 0.076 0.000 1.241 182 W CA 0.163 57.556 57.345 0.080 0.000 1.232 182 W CB -0.756 28.752 29.460 0.081 0.000 1.124 182 W HN 0.203 nan 8.180 nan 0.000 0.597 183 L N 0.883 121.741 121.223 -0.608 0.000 2.607 183 L HA 0.171 4.506 4.340 -0.008 0.000 0.228 183 L C 2.747 179.446 176.870 -0.285 0.000 1.123 183 L CA -0.033 54.424 54.840 -0.638 0.000 0.890 183 L CB -0.635 40.929 42.059 -0.825 0.000 1.103 183 L HN -0.107 nan 8.230 nan 0.000 0.468 184 R N 0.899 121.287 120.500 -0.188 0.000 2.136 184 R HA -0.252 4.083 4.340 -0.008 0.000 0.242 184 R C 1.368 177.477 176.300 -0.319 0.000 1.131 184 R CA 2.287 58.234 56.100 -0.255 0.000 0.937 184 R CB -0.309 29.817 30.300 -0.291 0.000 0.863 184 R HN 0.302 nan 8.270 nan 0.000 0.435 185 Y N -0.220 120.095 120.300 0.025 0.000 2.461 185 Y HA 0.319 4.864 4.550 -0.008 0.000 0.277 185 Y C 0.823 176.724 175.900 0.001 0.000 1.182 185 Y CA 0.402 58.523 58.100 0.035 0.000 1.276 185 Y CB 0.649 39.230 38.460 0.201 0.000 1.087 185 Y HN 0.502 nan 8.280 nan 0.000 0.519 186 G N 1.324 110.164 108.800 0.067 0.000 2.690 186 G HA2 -0.227 3.728 3.960 -0.008 0.000 0.686 186 G HA3 -0.227 3.728 3.960 -0.008 0.000 0.686 186 G C -1.231 173.747 174.900 0.129 0.000 1.277 186 G CA -0.836 44.282 45.100 0.030 0.000 0.799 186 G HN 0.263 nan 8.290 nan 0.000 0.613 187 N N 1.384 120.102 118.700 0.030 0.000 2.569 187 N HA 0.549 5.284 4.740 -0.008 0.000 0.254 187 N C -0.559 174.949 175.510 -0.003 0.000 1.004 187 N CA -1.910 51.169 53.050 0.048 0.000 0.904 187 N CB 2.039 40.486 38.487 -0.067 0.000 1.165 187 N HN 0.264 nan 8.380 nan 0.000 0.513 188 P HA -0.011 nan 4.420 nan 0.000 0.226 188 P C 0.604 177.576 177.300 -0.547 0.000 1.153 188 P CA 0.778 63.566 63.100 -0.520 0.000 0.777 188 P CB 0.107 31.213 31.700 -0.989 0.000 0.794 189 W N 1.936 123.235 121.300 -0.002 0.000 2.658 189 W HA 0.054 4.710 4.660 -0.008 0.000 0.263 189 W C 1.282 177.833 176.519 0.052 0.000 1.274 189 W CA -0.364 56.978 57.345 -0.004 0.000 1.343 189 W CB -0.228 29.233 29.460 0.002 0.000 1.106 189 W HN 0.047 nan 8.180 nan 0.000 0.615 190 E N 1.513 121.873 120.200 0.267 0.000 2.283 190 E HA 0.388 4.733 4.350 -0.008 0.000 0.267 190 E C -0.637 176.123 176.600 0.267 0.000 1.045 190 E CA -0.871 55.700 56.400 0.286 0.000 0.884 190 E CB 1.394 31.277 29.700 0.305 0.000 1.106 190 E HN -0.331 nan 8.360 nan 0.000 0.408 191 K N 1.401 121.972 120.400 0.285 0.000 2.579 191 K HA 0.415 4.730 4.320 -0.008 0.000 0.250 191 K C -1.263 175.357 176.600 0.033 0.000 0.952 191 K CA -0.478 55.914 56.287 0.175 0.000 0.857 191 K CB 1.514 34.127 32.500 0.189 0.000 1.123 191 K HN 0.672 nan 8.250 nan 0.000 0.433 192 A N 4.107 126.863 122.820 -0.107 0.000 2.477 192 A HA 0.368 4.683 4.320 -0.008 0.000 0.246 192 A C -0.209 177.218 177.584 -0.261 0.000 1.078 192 A CA -0.128 51.604 52.037 -0.508 0.000 0.770 192 A CB 0.224 18.905 19.000 -0.531 0.000 1.011 192 A HN 0.656 nan 8.150 nan 0.000 0.494 193 R N 3.187 123.539 120.500 -0.247 0.000 2.886 193 R HA 0.193 4.528 4.340 -0.008 0.000 0.306 193 R C -2.256 174.055 176.300 0.018 0.000 1.300 193 R CA -1.735 54.361 56.100 -0.007 0.000 1.441 193 R CB 0.522 30.916 30.300 0.156 0.000 1.328 193 R HN 0.609 nan 8.270 nan 0.000 0.629 194 P HA -0.219 nan 4.420 nan 0.000 0.219 194 P C 0.828 178.106 177.300 -0.036 0.000 1.144 194 P CA 1.269 64.347 63.100 -0.038 0.000 0.806 194 P CB 0.370 32.036 31.700 -0.057 0.000 0.771 195 E N -0.280 119.848 120.200 -0.120 0.000 2.268 195 E HA -0.135 4.210 4.350 -0.008 0.000 0.195 195 E C 0.865 177.233 176.600 -0.386 0.000 0.995 195 E CA 0.843 57.065 56.400 -0.296 0.000 0.836 195 E CB -0.927 28.485 29.700 -0.480 0.000 0.763 195 E HN 0.312 nan 8.360 nan 0.000 0.491 196 F N 1.946 121.910 119.950 0.023 0.000 2.668 196 F HA 0.232 4.754 4.527 -0.008 0.000 0.297 196 F C 0.501 176.397 175.800 0.160 0.000 1.124 196 F CA -0.283 57.763 58.000 0.077 0.000 1.353 196 F CB 0.310 39.351 39.000 0.068 0.000 0.992 196 F HN -0.291 nan 8.300 nan 0.000 0.524 197 T N 2.795 117.488 114.554 0.232 0.000 2.928 197 T HA 0.248 4.593 4.350 -0.008 0.000 0.305 197 T C -0.204 174.596 174.700 0.166 0.000 1.035 197 T CA 0.359 62.597 62.100 0.230 0.000 1.145 197 T CB 0.600 69.552 68.868 0.139 0.000 0.963 197 T HN -0.165 nan 8.240 nan 0.000 0.545 198 L N 5.622 126.915 121.223 0.117 0.000 2.370 198 L HA 0.578 4.913 4.340 -0.008 0.000 0.266 198 L C -2.198 174.622 176.870 -0.083 0.000 1.002 198 L CA -2.555 52.275 54.840 -0.016 0.000 0.818 198 L CB 1.964 43.944 42.059 -0.133 0.000 1.325 198 L HN 0.388 nan 8.230 nan 0.000 0.418 199 P HA 0.369 nan 4.420 nan 0.000 0.288 199 P C -1.241 175.911 177.300 -0.248 0.000 1.267 199 P CA -0.387 62.619 63.100 -0.156 0.000 0.815 199 P CB 1.939 33.546 31.700 -0.155 0.000 0.989 200 V N 3.991 123.750 119.914 -0.259 0.000 2.604 200 V HA 0.331 4.447 4.120 -0.008 0.000 0.305 200 V C 0.213 176.089 176.094 -0.363 0.000 1.043 200 V CA -0.628 61.512 62.300 -0.267 0.000 0.888 200 V CB 1.534 33.275 31.823 -0.137 0.000 0.995 200 V HN 0.610 nan 8.190 nan 0.000 0.429 201 H N 3.648 122.583 119.070 -0.226 0.000 2.479 201 H HA 0.641 5.192 4.556 -0.008 0.000 0.335 201 H C -1.294 173.774 175.328 -0.434 0.000 1.142 201 H CA -0.158 55.673 56.048 -0.361 0.000 1.234 201 H CB 1.928 31.200 29.762 -0.817 0.000 1.503 201 H HN 0.482 nan 8.280 nan 0.000 0.510 202 F N 0.124 120.132 119.950 0.097 0.000 2.626 202 F HA 0.202 4.724 4.527 -0.008 0.000 0.311 202 F C -0.289 175.622 175.800 0.186 0.000 1.088 202 F CA -0.554 57.505 58.000 0.098 0.000 0.949 202 F CB 1.070 40.028 39.000 -0.070 0.000 1.322 202 F HN 0.539 nan 8.300 nan 0.000 0.461 203 Y N 0.244 120.848 120.300 0.507 0.000 2.904 203 Y HA -0.006 4.539 4.550 -0.008 0.000 0.466 203 Y C 1.349 177.508 175.900 0.432 0.000 1.202 203 Y CA 0.718 59.035 58.100 0.363 0.000 2.492 203 Y CB -1.894 36.711 38.460 0.242 0.000 1.237 203 Y HN 1.321 nan 8.280 nan 0.000 0.633 204 G N 0.631 109.714 108.800 0.473 0.000 2.642 204 G HA2 0.104 4.059 3.960 -0.008 0.000 0.231 204 G HA3 0.104 4.059 3.960 -0.008 0.000 0.231 204 G C -0.568 174.548 174.900 0.360 0.000 1.338 204 G CA 0.830 46.129 45.100 0.331 0.000 0.883 204 G HN 1.344 nan 8.290 nan 0.000 0.570 205 R N -2.509 118.194 120.500 0.339 0.000 2.752 205 R HA 0.721 5.056 4.340 -0.008 0.000 0.271 205 R C -1.345 175.091 176.300 0.225 0.000 1.026 205 R CA -0.994 55.247 56.100 0.235 0.000 0.901 205 R CB 1.377 31.762 30.300 0.142 0.000 1.243 205 R HN 0.872 nan 8.270 nan 0.000 0.463 206 V N 0.858 120.818 119.914 0.077 0.000 2.427 206 V HA 0.353 4.468 4.120 -0.008 0.000 0.286 206 V C -0.188 175.832 176.094 -0.124 0.000 1.034 206 V CA -0.540 61.732 62.300 -0.048 0.000 0.893 206 V CB 1.355 33.073 31.823 -0.175 0.000 0.982 206 V HN 0.694 nan 8.190 nan 0.000 0.452 207 E N 2.864 122.974 120.200 -0.150 0.000 2.158 207 E HA 0.398 4.743 4.350 -0.008 0.000 0.271 207 E C -1.061 175.403 176.600 -0.227 0.000 0.911 207 E CA -0.718 55.611 56.400 -0.119 0.000 0.767 207 E CB 0.947 30.631 29.700 -0.026 0.000 1.120 207 E HN 0.673 nan 8.360 nan 0.000 0.405 208 H N 2.776 121.861 119.070 0.026 0.000 2.641 208 H HA 0.168 4.719 4.556 -0.008 0.000 0.295 208 H C 0.220 175.557 175.328 0.016 0.000 1.070 208 H CA -0.201 55.857 56.048 0.017 0.000 1.257 208 H CB 0.794 30.562 29.762 0.010 0.000 1.393 208 H HN 0.560 nan 8.280 nan 0.000 0.464 209 T N -0.596 114.019 114.554 0.103 0.000 2.892 209 T HA 0.215 4.560 4.350 -0.008 0.000 0.280 209 T C 1.596 176.334 174.700 0.064 0.000 1.004 209 T CA -0.579 61.561 62.100 0.068 0.000 0.950 209 T CB 0.965 69.857 68.868 0.040 0.000 1.309 209 T HN 0.323 nan 8.240 nan 0.000 0.592 210 S N 0.343 116.069 115.700 0.043 0.000 2.392 210 S HA -0.141 4.324 4.470 -0.008 0.000 0.225 210 S C 0.937 175.559 174.600 0.037 0.000 1.041 210 S CA 1.408 59.629 58.200 0.034 0.000 1.100 210 S CB -0.569 62.647 63.200 0.026 0.000 1.029 210 S HN 0.748 nan 8.310 nan 0.000 0.424 211 Q N 0.527 120.349 119.800 0.036 0.000 2.466 211 Q HA 0.548 4.883 4.340 -0.008 0.000 0.242 211 Q C 0.057 176.082 176.000 0.042 0.000 1.046 211 Q CA 0.440 56.264 55.803 0.036 0.000 0.841 211 Q CB 0.655 29.410 28.738 0.028 0.000 1.193 211 Q HN 0.578 nan 8.270 nan 0.000 0.508 212 G N 1.497 110.331 108.800 0.058 0.000 2.730 212 G HA2 0.111 4.066 3.960 -0.008 0.000 0.686 212 G HA3 0.111 4.066 3.960 -0.008 0.000 0.686 212 G C -0.803 174.141 174.900 0.072 0.000 1.343 212 G CA -0.632 44.508 45.100 0.066 0.000 0.826 212 G HN 0.789 nan 8.290 nan 0.000 0.582 213 A N 0.678 123.534 122.820 0.060 0.000 2.293 213 A HA 0.855 5.170 4.320 -0.008 0.000 0.302 213 A C 0.379 177.932 177.584 -0.050 0.000 1.119 213 A CA -0.062 51.950 52.037 -0.042 0.000 0.823 213 A CB 0.958 19.896 19.000 -0.103 0.000 1.097 213 A HN 0.849 nan 8.150 nan 0.000 0.491 214 K N 0.450 120.805 120.400 -0.074 0.000 2.427 214 K HA 0.264 4.579 4.320 -0.008 0.000 0.252 214 K C -1.789 174.850 176.600 0.064 0.000 0.931 214 K CA -0.375 55.910 56.287 -0.003 0.000 0.793 214 K CB 2.239 34.738 32.500 -0.003 0.000 1.211 214 K HN 0.692 nan 8.250 nan 0.000 0.426 215 W N 5.199 126.419 121.300 -0.133 0.000 2.311 215 W HA 0.362 5.017 4.660 -0.008 0.000 0.317 215 W C -0.744 175.710 176.519 -0.107 0.000 1.065 215 W CA -0.833 56.438 57.345 -0.123 0.000 1.364 215 W CB 0.181 29.556 29.460 -0.141 0.000 1.233 215 W HN 0.362 nan 8.180 nan 0.000 0.409 216 V N 2.667 122.633 119.914 0.088 0.000 3.158 216 V HA 0.611 4.726 4.120 -0.008 0.000 0.315 216 V C -0.028 176.044 176.094 -0.037 0.000 1.148 216 V CA -0.879 61.392 62.300 -0.048 0.000 1.042 216 V CB 1.891 33.714 31.823 0.001 0.000 1.101 216 V HN 0.446 nan 8.190 nan 0.000 0.448 217 D N 0.241 120.621 120.400 -0.033 0.000 2.772 217 D HA -0.142 4.494 4.640 -0.008 0.000 0.233 217 D C 0.559 176.871 176.300 0.021 0.000 1.143 217 D CA 1.492 55.498 54.000 0.010 0.000 0.700 217 D CB -1.616 39.211 40.800 0.046 0.000 1.076 217 D HN 1.288 nan 8.370 nan 0.000 0.430 218 T N -2.860 111.658 114.554 -0.061 0.000 2.874 218 T HA 0.485 4.830 4.350 -0.008 0.000 0.281 218 T C 0.423 175.193 174.700 0.115 0.000 0.994 218 T CA -0.740 61.343 62.100 -0.028 0.000 1.015 218 T CB 2.068 70.737 68.868 -0.331 0.000 1.028 218 T HN 0.030 nan 8.240 nan 0.000 0.523 219 Q N 0.638 120.579 119.800 0.236 0.000 2.241 219 Q HA 0.578 4.913 4.340 -0.008 0.000 0.254 219 Q C -0.981 175.167 176.000 0.246 0.000 0.917 219 Q CA -0.905 55.066 55.803 0.280 0.000 0.919 219 Q CB 2.017 31.002 28.738 0.411 0.000 1.237 219 Q HN 0.508 nan 8.270 nan 0.000 0.434 220 V N 2.870 122.888 119.914 0.174 0.000 2.483 220 V HA 0.453 4.568 4.120 -0.008 0.000 0.295 220 V C -0.331 175.825 176.094 0.104 0.000 1.035 220 V CA -0.662 61.656 62.300 0.030 0.000 0.896 220 V CB 1.837 33.609 31.823 -0.085 0.000 0.986 220 V HN 0.490 nan 8.190 nan 0.000 0.447 221 V N 5.690 125.669 119.914 0.108 0.000 2.588 221 V HA 0.472 4.587 4.120 -0.008 0.000 0.304 221 V C -0.220 175.952 176.094 0.130 0.000 1.042 221 V CA -0.599 61.775 62.300 0.122 0.000 0.877 221 V CB 1.948 33.913 31.823 0.238 0.000 0.996 221 V HN 0.640 nan 8.190 nan 0.000 0.425 222 L N 3.632 124.920 121.223 0.108 0.000 2.350 222 L HA 0.717 5.052 4.340 -0.008 0.000 0.275 222 L C 0.502 177.541 176.870 0.281 0.000 1.099 222 L CA -0.305 54.612 54.840 0.128 0.000 0.808 222 L CB 1.278 43.393 42.059 0.094 0.000 1.149 222 L HN 0.754 nan 8.230 nan 0.000 0.442 223 A N 5.113 128.054 122.820 0.202 0.000 2.267 223 A HA 0.564 4.879 4.320 -0.008 0.000 0.315 223 A C -0.455 177.407 177.584 0.463 0.000 1.297 223 A CA -0.469 51.727 52.037 0.265 0.000 0.865 223 A CB 0.858 19.563 19.000 -0.491 0.000 1.165 223 A HN 0.788 nan 8.150 nan 0.000 0.513 224 M N 6.281 126.208 119.600 0.544 0.000 2.129 224 M HA 0.433 4.908 4.480 -0.008 0.000 0.348 224 M C -2.560 174.013 176.300 0.456 0.000 1.116 224 M CA -2.127 53.435 55.300 0.437 0.000 1.022 224 M CB 1.981 34.764 32.600 0.305 0.000 1.599 224 M HN 0.377 nan 8.290 nan 0.000 0.449 225 P HA 0.240 nan 4.420 nan 0.000 0.288 225 P C -1.958 175.259 177.300 -0.138 0.000 1.267 225 P CA -0.096 62.892 63.100 -0.186 0.000 0.815 225 P CB 0.694 32.031 31.700 -0.606 0.000 0.989 226 Y N 0.650 120.866 120.300 -0.139 0.000 2.331 226 Y HA 0.321 4.866 4.550 -0.008 0.000 0.334 226 Y C 0.206 176.073 175.900 -0.055 0.000 0.960 226 Y CA -0.275 57.806 58.100 -0.031 0.000 1.130 226 Y CB 1.436 39.913 38.460 0.029 0.000 1.164 226 Y HN 0.224 nan 8.280 nan 0.000 0.458 227 D N 1.862 122.343 120.400 0.135 0.000 2.168 227 D HA 0.436 5.071 4.640 -0.008 0.000 0.246 227 D C -0.635 175.866 176.300 0.334 0.000 1.050 227 D CA -0.224 53.892 54.000 0.194 0.000 0.857 227 D CB 1.796 42.732 40.800 0.227 0.000 1.169 227 D HN 0.370 nan 8.370 nan 0.000 0.453 228 T N 3.140 117.801 114.554 0.180 0.000 2.824 228 T HA 0.451 4.796 4.350 -0.008 0.000 0.282 228 T C -2.542 171.990 174.700 -0.281 0.000 0.993 228 T CA -1.423 60.689 62.100 0.021 0.000 0.967 228 T CB 2.102 70.980 68.868 0.017 0.000 0.960 228 T HN 0.177 nan 8.240 nan 0.000 0.441 229 P HA 0.295 nan 4.420 nan 0.000 0.275 229 P C -0.975 175.985 177.300 -0.566 0.000 1.227 229 P CA -0.370 62.036 63.100 -1.156 0.000 0.781 229 P CB 0.873 31.638 31.700 -1.558 0.000 0.906 230 V N 5.258 124.900 119.914 -0.453 0.000 2.289 230 V HA 0.251 4.366 4.120 -0.008 0.000 0.272 230 V C -1.986 173.970 176.094 -0.230 0.000 1.026 230 V CA -1.909 60.224 62.300 -0.277 0.000 0.807 230 V CB 1.316 33.024 31.823 -0.192 0.000 1.044 230 V HN 0.557 nan 8.190 nan 0.000 0.443 231 P HA 0.257 nan 4.420 nan 0.000 0.280 231 P C 0.330 177.577 177.300 -0.089 0.000 1.244 231 P CA 0.344 63.352 63.100 -0.153 0.000 0.784 231 P CB 1.744 33.351 31.700 -0.156 0.000 0.913 232 G N 2.197 110.962 108.800 -0.058 0.000 2.562 232 G HA2 0.177 4.132 3.960 -0.008 0.000 0.275 232 G HA3 0.177 4.132 3.960 -0.008 0.000 0.275 232 G C -1.250 173.662 174.900 0.019 0.000 1.196 232 G CA -0.628 44.468 45.100 -0.007 0.000 0.908 232 G HN 0.522 nan 8.290 nan 0.000 0.524 233 Y N 0.441 120.702 120.300 -0.066 0.000 2.584 233 Y HA 0.293 4.838 4.550 -0.009 0.000 0.351 233 Y C 1.211 177.073 175.900 -0.064 0.000 1.030 233 Y CA -0.248 57.809 58.100 -0.072 0.000 1.332 233 Y CB 0.176 38.592 38.460 -0.074 0.000 1.148 233 Y HN 0.699 nan 8.280 nan 0.000 0.528 234 R N 2.732 122.927 120.500 -0.507 0.000 3.610 234 R HA -0.320 4.015 4.340 -0.008 0.000 0.274 234 R C 0.038 176.208 176.300 -0.217 0.000 1.123 234 R CA 1.506 57.342 56.100 -0.440 0.000 0.747 234 R CB -1.927 27.958 30.300 -0.692 0.000 1.149 234 R HN 0.945 nan 8.270 nan 0.000 0.471 235 N N -1.387 117.234 118.700 -0.130 0.000 2.177 235 N HA 0.069 4.804 4.740 -0.008 0.000 0.218 235 N C -0.193 175.271 175.510 -0.077 0.000 1.182 235 N CA -0.319 52.684 53.050 -0.078 0.000 0.882 235 N CB 0.515 38.982 38.487 -0.034 0.000 1.052 235 N HN 0.088 nan 8.380 nan 0.000 0.519 236 N N -0.178 118.471 118.700 -0.086 0.000 2.828 236 N HA -0.133 4.602 4.740 -0.008 0.000 0.248 236 N C -0.946 174.521 175.510 -0.072 0.000 1.044 236 N CA 0.570 53.575 53.050 -0.074 0.000 0.851 236 N CB -1.241 37.203 38.487 -0.072 0.000 1.136 236 N HN 0.180 nan 8.380 nan 0.000 0.572 237 V N 1.239 121.114 119.914 -0.065 0.000 2.465 237 V HA 0.443 4.558 4.120 -0.008 0.000 0.279 237 V C 0.563 176.625 176.094 -0.055 0.000 1.045 237 V CA -0.453 61.814 62.300 -0.055 0.000 0.938 237 V CB 2.136 33.952 31.823 -0.012 0.000 0.986 237 V HN -0.040 nan 8.190 nan 0.000 0.467 238 V N 5.509 125.395 119.914 -0.047 0.000 2.419 238 V HA 0.434 4.549 4.120 -0.008 0.000 0.287 238 V C -0.106 175.969 176.094 -0.033 0.000 1.017 238 V CA -0.850 61.392 62.300 -0.098 0.000 0.844 238 V CB 1.496 33.240 31.823 -0.132 0.000 1.011 238 V HN 0.846 nan 8.190 nan 0.000 0.429 239 N N 1.976 120.630 118.700 -0.077 0.000 2.476 239 N HA 0.573 5.308 4.740 -0.008 0.000 0.287 239 N C -0.044 175.436 175.510 -0.050 0.000 1.262 239 N CA -0.295 52.732 53.050 -0.039 0.000 0.980 239 N CB 1.186 39.610 38.487 -0.105 0.000 1.163 239 N HN 0.574 nan 8.380 nan 0.000 0.592 240 T N 0.700 115.234 114.554 -0.034 0.000 2.863 240 T HA 0.434 4.779 4.350 -0.008 0.000 0.285 240 T C -0.328 174.329 174.700 -0.072 0.000 1.009 240 T CA -0.524 61.619 62.100 0.073 0.000 0.989 240 T CB 1.207 70.246 68.868 0.285 0.000 1.004 240 T HN 0.319 nan 8.240 nan 0.000 0.455 241 M N 3.620 123.144 119.600 -0.127 0.000 2.072 241 M HA 0.511 4.986 4.480 -0.008 0.000 0.331 241 M C -0.605 175.534 176.300 -0.268 0.000 1.004 241 M CA -0.751 54.382 55.300 -0.278 0.000 0.952 241 M CB 0.799 33.185 32.600 -0.358 0.000 1.511 241 M HN 0.489 nan 8.290 nan 0.000 0.422 242 R N 5.796 126.035 120.500 -0.436 0.000 2.229 242 R HA 0.629 4.964 4.340 -0.008 0.000 0.332 242 R C -1.931 174.085 176.300 -0.473 0.000 0.989 242 R CA -0.402 55.399 56.100 -0.499 0.000 0.842 242 R CB 0.860 30.698 30.300 -0.770 0.000 1.119 242 R HN 0.818 nan 8.270 nan 0.000 0.456 243 L N 5.091 126.132 121.223 -0.303 0.000 2.322 243 L HA 0.506 4.841 4.340 -0.008 0.000 0.281 243 L C -0.825 175.980 176.870 -0.108 0.000 1.014 243 L CA -0.927 53.830 54.840 -0.138 0.000 0.815 243 L CB 1.497 43.563 42.059 0.011 0.000 1.247 243 L HN 0.595 nan 8.230 nan 0.000 0.421 244 W N 1.773 123.188 121.300 0.192 0.000 2.376 244 W HA 0.509 5.164 4.660 -0.008 0.000 0.322 244 W C 0.493 177.233 176.519 0.368 0.000 1.160 244 W CA -0.254 57.228 57.345 0.228 0.000 1.218 244 W CB 1.506 30.957 29.460 -0.014 0.000 1.205 244 W HN 0.331 nan 8.180 nan 0.000 0.559 245 S N 1.757 117.866 115.700 0.682 0.000 2.500 245 S HA 0.781 5.246 4.470 -0.008 0.000 0.301 245 S C -0.517 174.419 174.600 0.560 0.000 1.092 245 S CA -0.724 57.775 58.200 0.498 0.000 1.030 245 S CB 0.688 64.114 63.200 0.376 0.000 1.031 245 S HN 0.548 nan 8.310 nan 0.000 0.483 246 A N 4.721 127.696 122.820 0.259 0.000 2.366 246 A HA 0.656 4.971 4.320 -0.008 0.000 0.272 246 A C -0.141 177.493 177.584 0.084 0.000 1.135 246 A CA -0.273 51.804 52.037 0.067 0.000 0.804 246 A CB 0.338 19.104 19.000 -0.391 0.000 1.064 246 A HN 0.645 nan 8.150 nan 0.000 0.499 247 K N 1.209 121.670 120.400 0.102 0.000 2.482 247 K HA 0.592 4.907 4.320 -0.008 0.000 0.251 247 K C -0.560 176.013 176.600 -0.045 0.000 0.936 247 K CA -0.377 55.935 56.287 0.042 0.000 0.791 247 K CB 2.164 34.725 32.500 0.102 0.000 1.213 247 K HN 0.840 nan 8.250 nan 0.000 0.428 248 A N 4.678 127.408 122.820 -0.150 0.000 2.354 248 A HA 0.480 4.795 4.320 -0.008 0.000 0.269 248 A C -2.096 175.418 177.584 -0.117 0.000 1.109 248 A CA -1.077 50.770 52.037 -0.317 0.000 0.800 248 A CB -0.193 18.443 19.000 -0.607 0.000 1.045 248 A HN 0.369 nan 8.150 nan 0.000 0.489 249 P HA 0.092 nan 4.420 nan 0.000 0.272 249 P C 0.016 177.389 177.300 0.120 0.000 1.230 249 P CA -0.405 62.735 63.100 0.067 0.000 0.788 249 P CB 0.628 32.393 31.700 0.108 0.000 0.949 250 N N 0.948 119.710 118.700 0.103 0.000 2.396 250 N HA -0.105 4.630 4.740 -0.008 0.000 0.180 250 N C 0.910 176.502 175.510 0.136 0.000 1.028 250 N CA 1.009 54.127 53.050 0.112 0.000 0.893 250 N CB -0.372 38.163 38.487 0.081 0.000 0.967 250 N HN 0.579 nan 8.380 nan 0.000 0.440 251 D N -0.536 119.945 120.400 0.136 0.000 2.328 251 D HA -0.087 4.548 4.640 -0.008 0.000 0.226 251 D C 0.253 176.632 176.300 0.132 0.000 1.066 251 D CA -0.516 53.552 54.000 0.113 0.000 0.861 251 D CB -0.812 40.038 40.800 0.082 0.000 0.912 251 D HN 0.008 nan 8.370 nan 0.000 0.521 252 F N 2.083 122.049 119.950 0.027 0.000 2.602 252 F HA 0.036 4.559 4.527 -0.008 0.000 0.385 252 F C 0.980 176.787 175.800 0.012 0.000 1.063 252 F CA 0.376 58.389 58.000 0.020 0.000 1.233 252 F CB -0.133 38.878 39.000 0.019 0.000 1.067 252 F HN -0.081 nan 8.300 nan 0.000 0.564 253 N N 2.272 120.560 118.700 -0.688 0.000 2.732 253 N HA -0.273 4.462 4.740 -0.008 0.000 0.250 253 N C -0.867 174.532 175.510 -0.185 0.000 1.097 253 N CA 1.287 54.039 53.050 -0.496 0.000 0.812 253 N CB -0.969 37.217 38.487 -0.502 0.000 1.148 253 N HN 0.513 nan 8.380 nan 0.000 0.572 262 Y N 0.744 121.044 120.300 -0.000 0.000 2.081 262 Y HA -0.159 4.386 4.550 -0.008 0.000 0.280 262 Y C 2.552 178.460 175.900 0.013 0.000 1.163 262 Y CA 2.296 60.399 58.100 0.005 0.000 1.135 262 Y CB -0.018 38.446 38.460 0.007 0.000 0.970 262 Y HN 0.320 nan 8.280 nan 0.000 0.498 263 I N 0.497 120.998 120.570 -0.115 0.000 2.163 263 I HA -0.326 3.839 4.170 -0.008 0.000 0.243 263 I C 2.409 178.421 176.117 -0.174 0.000 1.085 263 I CA 1.574 62.757 61.300 -0.195 0.000 1.347 263 I CB -1.421 36.575 38.000 -0.008 0.000 1.044 263 I HN 0.392 nan 8.210 nan 0.000 0.408 264 Q N 0.453 120.199 119.800 -0.089 0.000 2.096 264 Q HA -0.135 4.200 4.340 -0.008 0.000 0.204 264 Q C 2.385 178.341 176.000 -0.074 0.000 0.982 264 Q CA 1.894 57.660 55.803 -0.061 0.000 0.850 264 Q CB -0.361 28.358 28.738 -0.032 0.000 0.901 264 Q HN 0.555 nan 8.270 nan 0.000 0.422 265 A N -0.009 122.747 122.820 -0.107 0.000 1.908 265 A HA -0.145 4.170 4.320 -0.008 0.000 0.218 265 A C 2.407 179.952 177.584 -0.066 0.000 1.181 265 A CA 1.722 53.702 52.037 -0.094 0.000 0.627 265 A CB -0.685 18.256 19.000 -0.100 0.000 0.818 265 A HN 0.229 nan 8.150 nan 0.000 0.445 266 V N 0.168 119.969 119.914 -0.187 0.000 2.358 266 V HA -0.230 3.885 4.120 -0.008 0.000 0.246 266 V C 2.530 178.597 176.094 -0.045 0.000 1.047 266 V CA 1.835 64.050 62.300 -0.142 0.000 1.035 266 V CB -0.746 30.893 31.823 -0.306 0.000 0.658 266 V HN 0.565 nan 8.190 nan 0.000 0.452 267 L N -0.221 120.967 121.223 -0.057 0.000 2.141 267 L HA -0.146 4.189 4.340 -0.008 0.000 0.209 267 L C 1.994 178.882 176.870 0.029 0.000 1.094 267 L CA 1.260 56.092 54.840 -0.015 0.000 0.763 267 L CB -0.691 41.355 42.059 -0.021 0.000 0.908 267 L HN 0.333 nan 8.230 nan 0.000 0.437 268 D N 0.034 120.468 120.400 0.056 0.000 2.378 268 D HA -0.072 4.563 4.640 -0.008 0.000 0.227 268 D C 2.093 178.539 176.300 0.244 0.000 1.012 268 D CA 0.435 54.508 54.000 0.121 0.000 0.905 268 D CB -0.003 40.856 40.800 0.099 0.000 0.895 268 D HN 0.254 nan 8.370 nan 0.000 0.532 269 R N 0.287 120.903 120.500 0.193 0.000 2.152 269 R HA -0.055 4.280 4.340 -0.008 0.000 0.232 269 R C 1.692 177.962 176.300 -0.049 0.000 1.117 269 R CA 0.852 56.992 56.100 0.067 0.000 0.981 269 R CB -0.243 30.065 30.300 0.013 0.000 0.870 269 R HN 0.337 nan 8.270 nan 0.000 0.451 270 N N 0.374 119.081 118.700 0.011 0.000 2.192 270 N HA -0.192 4.543 4.740 -0.008 0.000 0.188 270 N C 1.234 176.739 175.510 -0.008 0.000 1.013 270 N CA 0.695 53.745 53.050 -0.001 0.000 0.863 270 N CB -0.108 38.391 38.487 0.020 0.000 0.990 270 N HN 0.015 nan 8.380 nan 0.000 0.430 271 L N 1.122 122.363 121.223 0.029 0.000 2.012 271 L HA -0.177 4.158 4.340 -0.008 0.000 0.210 271 L C 2.449 179.299 176.870 -0.033 0.000 1.073 271 L CA 1.615 56.477 54.840 0.037 0.000 0.748 271 L CB -1.016 41.117 42.059 0.124 0.000 0.891 271 L HN 0.185 nan 8.230 nan 0.000 0.431 272 A N -1.083 121.661 122.820 -0.127 0.000 1.929 272 A HA -0.140 4.175 4.320 -0.008 0.000 0.216 272 A C 2.098 179.556 177.584 -0.209 0.000 1.176 272 A CA 1.201 53.102 52.037 -0.226 0.000 0.628 272 A CB -0.424 18.276 19.000 -0.500 0.000 0.816 272 A HN 0.533 nan 8.150 nan 0.000 0.444 273 E N 0.200 120.296 120.200 -0.173 0.000 2.427 273 E HA -0.085 4.260 4.350 -0.008 0.000 0.196 273 E C 0.929 177.484 176.600 -0.075 0.000 1.028 273 E CA 0.270 56.598 56.400 -0.119 0.000 0.864 273 E CB -0.176 29.480 29.700 -0.073 0.000 0.813 273 E HN 0.448 nan 8.360 nan 0.000 0.514 274 N N 1.129 119.795 118.700 -0.057 0.000 2.443 274 N HA -0.083 4.652 4.740 -0.008 0.000 0.184 274 N C 1.622 177.126 175.510 -0.011 0.000 1.037 274 N CA 0.574 53.621 53.050 -0.006 0.000 0.896 274 N CB -0.050 38.440 38.487 0.004 0.000 0.959 274 N HN 0.276 nan 8.380 nan 0.000 0.442 275 I N 0.339 120.840 120.570 -0.114 0.000 2.194 275 I HA -0.252 3.913 4.170 -0.008 0.000 0.246 275 I C 1.422 177.505 176.117 -0.056 0.000 1.093 275 I CA 1.278 62.483 61.300 -0.158 0.000 1.355 275 I CB -0.206 37.526 38.000 -0.446 0.000 1.046 275 I HN 0.136 nan 8.210 nan 0.000 0.413 276 S N -0.521 115.138 115.700 -0.067 0.000 2.574 276 S HA 0.182 4.647 4.470 -0.008 0.000 0.242 276 S C 1.460 176.195 174.600 0.226 0.000 0.982 276 S CA -0.549 57.705 58.200 0.090 0.000 0.977 276 S CB 0.272 63.507 63.200 0.059 0.000 0.814 276 S HN 0.207 nan 8.310 nan 0.000 0.464 277 R N 1.277 121.909 120.500 0.219 0.000 2.062 277 R HA 0.268 4.603 4.340 -0.008 0.000 0.229 277 R C 0.430 176.984 176.300 0.422 0.000 1.128 277 R CA 1.193 57.467 56.100 0.291 0.000 0.960 277 R CB -0.248 30.184 30.300 0.220 0.000 0.855 277 R HN 0.400 nan 8.270 nan 0.000 0.432 278 V N 0.143 120.259 119.914 0.337 0.000 3.012 278 V HA 0.369 4.485 4.120 -0.008 0.000 0.307 278 V C -1.623 174.434 176.094 -0.061 0.000 1.166 278 V CA -1.378 61.047 62.300 0.209 0.000 0.974 278 V CB 1.817 33.688 31.823 0.080 0.000 1.040 278 V HN 0.152 nan 8.190 nan 0.000 0.428 279 L N 6.239 127.202 121.223 -0.432 0.000 2.367 279 L HA 0.497 4.832 4.340 -0.008 0.000 0.275 279 L C -0.896 175.810 176.870 -0.273 0.000 1.129 279 L CA 0.386 54.749 54.840 -0.795 0.000 0.839 279 L CB 0.613 42.138 42.059 -0.890 0.000 1.133 279 L HN 0.682 nan 8.230 nan 0.000 0.453 280 Y N 6.811 127.019 120.300 -0.153 0.000 2.569 280 Y HA 0.197 4.742 4.550 -0.008 0.000 0.332 280 Y C -1.378 174.521 175.900 -0.001 0.000 1.120 280 Y CA -1.317 56.773 58.100 -0.017 0.000 1.416 280 Y CB 0.368 38.846 38.460 0.030 0.000 1.210 280 Y HN 0.565 nan 8.280 nan 0.000 0.528 281 P HA -0.015 nan 4.420 nan 0.000 0.258 281 P C -0.838 176.603 177.300 0.236 0.000 1.559 281 P CA 0.230 63.443 63.100 0.188 0.000 0.855 281 P CB 0.065 31.970 31.700 0.342 0.000 1.594 282 N N 1.219 120.067 118.700 0.246 0.000 2.438 282 N HA 0.147 4.882 4.740 -0.008 0.000 0.282 282 N C -0.532 175.133 175.510 0.259 0.000 1.037 282 N CA 0.095 53.314 53.050 0.281 0.000 0.942 282 N CB 1.425 40.122 38.487 0.350 0.000 1.136 282 N HN 0.125 nan 8.380 nan 0.000 0.481 283 D N 1.947 122.523 120.400 0.293 0.000 2.381 283 D HA 0.123 4.758 4.640 -0.008 0.000 0.235 283 D C -0.352 176.159 176.300 0.353 0.000 1.068 283 D CA -0.192 53.976 54.000 0.280 0.000 0.832 283 D CB 0.418 41.375 40.800 0.263 0.000 1.101 283 D HN 0.365 nan 8.370 nan 0.000 0.515 284 N N 2.883 121.757 118.700 0.291 0.000 2.738 284 N HA -0.255 4.480 4.740 -0.008 0.000 0.249 284 N C -1.264 174.478 175.510 0.387 0.000 1.047 284 N CA 0.711 53.922 53.050 0.269 0.000 0.707 284 N CB -1.042 37.566 38.487 0.200 0.000 0.937 284 N HN 0.423 nan 8.380 nan 0.000 0.545 285 F N 0.726 120.779 119.950 0.172 0.000 2.623 285 F HA 0.399 4.921 4.527 -0.008 0.000 0.323 285 F C -1.236 174.647 175.800 0.138 0.000 1.158 285 F CA -1.094 56.984 58.000 0.130 0.000 1.030 285 F CB 0.843 39.880 39.000 0.062 0.000 1.280 285 F HN -0.006 nan 8.300 nan 0.000 0.474 286 F N 5.993 125.527 119.950 -0.694 0.000 2.411 286 F HA 0.476 4.998 4.527 -0.008 0.000 0.350 286 F C -0.421 174.935 175.800 -0.740 0.000 1.114 286 F CA -0.138 57.515 58.000 -0.578 0.000 1.135 286 F CB 0.751 39.453 39.000 -0.498 0.000 1.120 286 F HN 0.604 nan 8.300 nan 0.000 0.495 287 E N 4.421 123.987 120.200 -1.057 0.000 2.186 287 E HA 0.299 4.644 4.350 -0.008 0.000 0.255 287 E C -0.264 175.595 176.600 -1.236 0.000 0.881 287 E CA -0.759 55.115 56.400 -0.877 0.000 0.752 287 E CB 1.275 30.847 29.700 -0.212 0.000 1.176 287 E HN 0.912 nan 8.360 nan 0.000 0.421 288 G N 5.296 113.236 108.800 -1.433 0.000 3.102 288 G HA2 0.040 3.996 3.960 -0.008 0.000 0.264 288 G HA3 0.040 3.996 3.960 -0.008 0.000 0.264 288 G C -0.080 174.724 174.900 -0.160 0.000 0.788 288 G CA -0.196 44.284 45.100 -1.034 0.000 2.029 288 G HN 0.197 nan 8.290 nan 0.000 0.608 289 K N 0.481 120.873 120.400 -0.013 0.000 2.123 289 K HA 0.206 4.521 4.320 -0.008 0.000 0.259 289 K C 0.961 177.717 176.600 0.261 0.000 0.960 289 K CA -0.711 55.663 56.287 0.144 0.000 0.872 289 K CB 2.236 34.822 32.500 0.144 0.000 1.079 289 K HN 0.430 nan 8.250 nan 0.000 0.440 290 E N 1.469 121.787 120.200 0.197 0.000 2.085 290 E HA -0.218 4.127 4.350 -0.008 0.000 0.194 290 E C 1.555 178.202 176.600 0.080 0.000 0.994 290 E CA 1.094 57.566 56.400 0.119 0.000 0.801 290 E CB 0.159 29.928 29.700 0.116 0.000 0.743 290 E HN 0.392 nan 8.360 nan 0.000 0.453 291 L N 1.362 122.672 121.223 0.145 0.000 2.042 291 L HA -0.194 4.141 4.340 -0.008 0.000 0.210 291 L C 2.466 179.446 176.870 0.183 0.000 1.076 291 L CA 1.895 56.836 54.840 0.169 0.000 0.749 291 L CB -0.557 41.669 42.059 0.279 0.000 0.893 291 L HN 0.014 nan 8.230 nan 0.000 0.432 292 R N -0.599 119.967 120.500 0.110 0.000 2.081 292 R HA -0.165 4.170 4.340 -0.008 0.000 0.235 292 R C 2.116 178.466 176.300 0.084 0.000 1.131 292 R CA 1.891 57.972 56.100 -0.032 0.000 0.960 292 R CB -1.037 29.026 30.300 -0.395 0.000 0.856 292 R HN 0.418 nan 8.270 nan 0.000 0.436 293 L N 0.860 122.052 121.223 -0.053 0.000 2.083 293 L HA -0.067 4.268 4.340 -0.008 0.000 0.209 293 L C 1.706 178.528 176.870 -0.080 0.000 1.083 293 L CA 1.891 56.486 54.840 -0.408 0.000 0.752 293 L CB -0.390 41.145 42.059 -0.874 0.000 0.899 293 L HN 0.160 nan 8.230 nan 0.000 0.433 294 K N -0.996 119.412 120.400 0.014 0.000 2.097 294 K HA -0.188 4.127 4.320 -0.008 0.000 0.206 294 K C 2.076 178.853 176.600 0.296 0.000 1.049 294 K CA 1.741 58.116 56.287 0.147 0.000 0.933 294 K CB -0.166 32.239 32.500 -0.159 0.000 0.717 294 K HN 0.517 nan 8.250 nan 0.000 0.442 295 Q N 0.631 120.566 119.800 0.225 0.000 2.084 295 Q HA -0.180 4.156 4.340 -0.008 0.000 0.202 295 Q C 1.943 178.141 176.000 0.330 0.000 0.978 295 Q CA 1.381 57.371 55.803 0.311 0.000 0.844 295 Q CB -0.022 28.920 28.738 0.340 0.000 0.898 295 Q HN 0.377 nan 8.270 nan 0.000 0.426 296 E N -0.132 120.214 120.200 0.243 0.000 2.077 296 E HA -0.215 4.130 4.350 -0.008 0.000 0.193 296 E C 1.720 178.424 176.600 0.174 0.000 0.989 296 E CA 1.072 57.593 56.400 0.203 0.000 0.800 296 E CB -0.119 29.676 29.700 0.158 0.000 0.746 296 E HN 0.326 nan 8.360 nan 0.000 0.452 297 Y N 0.235 120.572 120.300 0.063 0.000 2.263 297 Y HA -0.176 4.369 4.550 -0.008 0.000 0.292 297 Y C 1.927 177.845 175.900 0.031 0.000 1.130 297 Y CA 0.872 58.955 58.100 -0.028 0.000 1.179 297 Y CB -0.323 38.072 38.460 -0.108 0.000 0.998 297 Y HN 0.009 nan 8.280 nan 0.000 0.532 298 F N -0.288 119.642 119.950 -0.033 0.000 2.065 298 F HA -0.242 4.280 4.527 -0.008 0.000 0.298 298 F C 2.466 178.111 175.800 -0.258 0.000 1.112 298 F CA 2.014 59.953 58.000 -0.103 0.000 1.212 298 F CB -1.074 38.021 39.000 0.158 0.000 0.975 298 F HN -0.064 nan 8.300 nan 0.000 0.476 299 V N -0.474 119.387 119.914 -0.088 0.000 2.427 299 V HA -0.204 3.911 4.120 -0.008 0.000 0.248 299 V C 2.202 178.129 176.094 -0.278 0.000 1.051 299 V CA 1.917 64.128 62.300 -0.149 0.000 1.048 299 V CB -0.361 31.574 31.823 0.186 0.000 0.666 299 V HN 0.262 nan 8.190 nan 0.000 0.456 300 V N 0.381 120.141 119.914 -0.256 0.000 2.307 300 V HA -0.171 3.944 4.120 -0.008 0.000 0.245 300 V C 2.790 178.614 176.094 -0.451 0.000 1.045 300 V CA 2.072 64.207 62.300 -0.275 0.000 1.024 300 V CB -1.075 30.649 31.823 -0.166 0.000 0.651 300 V HN 0.637 nan 8.190 nan 0.000 0.449 301 A N -0.076 122.305 122.820 -0.732 0.000 1.877 301 A HA -0.115 4.200 4.320 -0.008 0.000 0.216 301 A C 2.407 179.608 177.584 -0.638 0.000 1.186 301 A CA 2.158 53.763 52.037 -0.720 0.000 0.620 301 A CB -0.831 17.528 19.000 -1.068 0.000 0.822 301 A HN 0.561 nan 8.150 nan 0.000 0.443 302 A N -1.124 121.147 122.820 -0.915 0.000 1.898 302 A HA -0.057 4.258 4.320 -0.008 0.000 0.216 302 A C 2.314 179.358 177.584 -0.900 0.000 1.181 302 A CA 2.262 53.561 52.037 -1.229 0.000 0.620 302 A CB -1.266 16.334 19.000 -2.334 0.000 0.819 302 A HN 0.428 nan 8.150 nan 0.000 0.442 303 T N 0.481 114.642 114.554 -0.655 0.000 2.708 303 T HA -0.094 4.251 4.350 -0.008 0.000 0.266 303 T C 1.828 176.239 174.700 -0.482 0.000 1.037 303 T CA 1.465 63.301 62.100 -0.440 0.000 1.146 303 T CB -0.385 68.226 68.868 -0.427 0.000 0.865 303 T HN 0.339 nan 8.240 nan 0.000 0.435 304 L N 0.687 121.684 121.223 -0.378 0.000 2.083 304 L HA -0.157 4.178 4.340 -0.008 0.000 0.209 304 L C 2.920 179.674 176.870 -0.193 0.000 1.083 304 L CA 1.383 56.062 54.840 -0.269 0.000 0.752 304 L CB -0.506 41.436 42.059 -0.195 0.000 0.899 304 L HN 0.356 nan 8.230 nan 0.000 0.433 305 Q N -0.605 119.077 119.800 -0.197 0.000 2.084 305 Q HA -0.248 4.087 4.340 -0.008 0.000 0.202 305 Q C 1.772 177.745 176.000 -0.044 0.000 0.978 305 Q CA 1.722 57.464 55.803 -0.102 0.000 0.844 305 Q CB -0.115 28.549 28.738 -0.123 0.000 0.898 305 Q HN 0.396 nan 8.270 nan 0.000 0.426 306 D N 0.588 120.951 120.400 -0.062 0.000 2.117 306 D HA -0.108 4.527 4.640 -0.008 0.000 0.197 306 D C 1.660 177.921 176.300 -0.064 0.000 0.987 306 D CA 0.897 54.920 54.000 0.040 0.000 0.829 306 D CB -0.017 40.921 40.800 0.230 0.000 0.961 306 D HN 0.162 nan 8.370 nan 0.000 0.460 307 I N 0.136 120.555 120.570 -0.252 0.000 2.179 307 I HA -0.228 3.937 4.170 -0.008 0.000 0.242 307 I C 2.303 178.433 176.117 0.023 0.000 1.088 307 I CA 0.725 61.818 61.300 -0.345 0.000 1.357 307 I CB -0.146 37.496 38.000 -0.597 0.000 1.051 307 I HN 0.065 nan 8.210 nan 0.000 0.409 308 I N 0.375 121.013 120.570 0.114 0.000 2.252 308 I HA -0.291 3.874 4.170 -0.008 0.000 0.245 308 I C 2.780 179.067 176.117 0.283 0.000 1.102 308 I CA 1.180 62.663 61.300 0.305 0.000 1.385 308 I CB -0.441 37.690 38.000 0.218 0.000 1.064 308 I HN 0.220 nan 8.210 nan 0.000 0.414 309 R N 1.410 122.010 120.500 0.166 0.000 2.083 309 R HA -0.225 4.110 4.340 -0.008 0.000 0.237 309 R C 2.493 178.883 176.300 0.150 0.000 1.137 309 R CA 1.749 57.938 56.100 0.149 0.000 0.951 309 R CB -0.291 30.087 30.300 0.130 0.000 0.851 309 R HN 0.200 nan 8.270 nan 0.000 0.434 310 R N -0.600 119.985 120.500 0.141 0.000 2.092 310 R HA -0.162 4.173 4.340 -0.008 0.000 0.231 310 R C 2.119 178.529 176.300 0.183 0.000 1.119 310 R CA 1.623 57.807 56.100 0.139 0.000 0.970 310 R CB -0.391 29.971 30.300 0.103 0.000 0.864 310 R HN 0.316 nan 8.270 nan 0.000 0.440 311 F N 1.640 121.637 119.950 0.079 0.000 2.102 311 F HA -0.121 4.401 4.527 -0.008 0.000 0.298 311 F C 1.719 177.543 175.800 0.039 0.000 1.105 311 F CA 1.607 59.646 58.000 0.065 0.000 1.239 311 F CB -0.082 39.007 39.000 0.148 0.000 0.991 311 F HN -0.125 nan 8.300 nan 0.000 0.474 312 K N -0.243 120.157 120.400 -0.000 0.000 2.209 312 K HA -0.067 4.248 4.320 -0.008 0.000 0.204 312 K C 1.075 177.598 176.600 -0.128 0.000 1.048 312 K CA 1.336 57.534 56.287 -0.148 0.000 0.940 312 K CB -0.336 32.182 32.500 0.029 0.000 0.729 312 K HN 0.151 nan 8.250 nan 0.000 0.451 313 S N 1.180 116.867 115.700 -0.022 0.000 2.704 313 S HA 0.173 4.638 4.470 -0.008 0.000 0.241 313 S C -0.330 174.316 174.600 0.077 0.000 1.264 313 S CA -0.471 57.756 58.200 0.045 0.000 1.236 313 S CB 0.532 63.795 63.200 0.106 0.000 0.928 313 S HN 0.064 nan 8.310 nan 0.000 0.492 325 N N 0.830 119.469 118.700 -0.102 0.000 3.105 325 N HA 0.301 5.036 4.740 -0.008 0.000 0.256 325 N C -0.202 175.395 175.510 0.144 0.000 1.174 325 N CA -0.137 52.941 53.050 0.047 0.000 1.030 325 N CB 0.077 38.596 38.487 0.054 0.000 1.305 325 N HN 0.091 nan 8.380 nan 0.000 0.509 326 F N 0.736 120.825 119.950 0.232 0.000 2.699 326 F HA 0.033 4.555 4.527 -0.008 0.000 0.298 326 F C 1.453 177.321 175.800 0.113 0.000 1.154 326 F CA 0.289 58.374 58.000 0.142 0.000 1.457 326 F CB 0.226 39.195 39.000 -0.052 0.000 1.106 326 F HN 0.393 nan 8.300 nan 0.000 0.585 327 D N 0.173 120.723 120.400 0.249 0.000 2.178 327 D HA -0.111 4.524 4.640 -0.008 0.000 0.202 327 D C 2.159 178.553 176.300 0.157 0.000 0.974 327 D CA 1.216 55.315 54.000 0.165 0.000 0.841 327 D CB -0.112 40.760 40.800 0.121 0.000 0.953 327 D HN 0.212 nan 8.370 nan 0.000 0.478 328 A N -0.770 122.169 122.820 0.198 0.000 2.275 328 A HA 0.106 4.421 4.320 -0.008 0.000 0.212 328 A C 1.553 179.248 177.584 0.185 0.000 1.201 328 A CA -0.289 51.859 52.037 0.185 0.000 0.843 328 A CB -0.762 18.357 19.000 0.199 0.000 0.873 328 A HN 0.225 nan 8.150 nan 0.000 0.492 329 F N 1.881 121.794 119.950 -0.060 0.000 2.091 329 F HA -0.128 4.394 4.527 -0.008 0.000 0.299 329 F C -0.810 174.876 175.800 -0.190 0.000 1.103 329 F CA 2.425 60.177 58.000 -0.414 0.000 1.228 329 F CB -0.594 38.181 39.000 -0.376 0.000 0.984 329 F HN 0.196 nan 8.300 nan 0.000 0.477 330 P HA -0.111 nan 4.420 nan 0.000 0.222 330 P C 0.772 178.029 177.300 -0.071 0.000 1.147 330 P CA 1.558 64.635 63.100 -0.039 0.000 0.790 330 P CB -0.053 31.651 31.700 0.008 0.000 0.780 331 D N -0.970 119.409 120.400 -0.035 0.000 2.289 331 D HA -0.029 4.606 4.640 -0.008 0.000 0.207 331 D C 1.474 177.759 176.300 -0.024 0.000 0.966 331 D CA 0.922 54.915 54.000 -0.012 0.000 0.868 331 D CB 0.108 40.923 40.800 0.026 0.000 0.943 331 D HN 0.146 nan 8.370 nan 0.000 0.514 332 K N 0.157 120.520 120.400 -0.062 0.000 2.373 332 K HA 0.212 4.527 4.320 -0.008 0.000 0.200 332 K C -0.078 176.431 176.600 -0.152 0.000 1.054 332 K CA 0.036 56.298 56.287 -0.042 0.000 1.065 332 K CB 2.291 34.876 32.500 0.142 0.000 0.886 332 K HN -0.056 nan 8.250 nan 0.000 0.546 333 V N 0.786 120.516 119.914 -0.306 0.000 2.760 333 V HA 0.639 4.754 4.120 -0.008 0.000 0.309 333 V C -1.169 174.829 176.094 -0.161 0.000 1.077 333 V CA -1.278 60.839 62.300 -0.305 0.000 0.910 333 V CB 1.920 33.265 31.823 -0.796 0.000 1.008 333 V HN 0.099 nan 8.190 nan 0.000 0.424 334 A N 5.488 128.270 122.820 -0.064 0.000 2.359 334 A HA 0.922 5.237 4.320 -0.008 0.000 0.303 334 A C -1.068 176.541 177.584 0.042 0.000 1.066 334 A CA -0.439 51.595 52.037 -0.004 0.000 0.730 334 A CB 1.081 20.028 19.000 -0.089 0.000 1.211 334 A HN 0.759 nan 8.150 nan 0.000 0.439 335 I N 1.919 122.566 120.570 0.128 0.000 2.382 335 I HA 0.313 4.478 4.170 -0.008 0.000 0.286 335 I C -0.362 175.856 176.117 0.168 0.000 1.002 335 I CA -0.587 60.801 61.300 0.148 0.000 1.135 335 I CB 1.965 40.038 38.000 0.120 0.000 1.288 335 I HN 0.703 nan 8.210 nan 0.000 0.448 336 Q N 6.798 126.696 119.800 0.164 0.000 2.314 336 Q HA 0.512 4.847 4.340 -0.008 0.000 0.259 336 Q C -1.352 174.660 176.000 0.020 0.000 0.951 336 Q CA -0.265 55.670 55.803 0.221 0.000 0.909 336 Q CB 1.389 30.387 28.738 0.434 0.000 1.236 336 Q HN 0.572 nan 8.270 nan 0.000 0.444 337 L N 3.806 125.079 121.223 0.083 0.000 2.260 337 L HA 0.397 4.732 4.340 -0.008 0.000 0.289 337 L C 0.059 176.962 176.870 0.055 0.000 1.057 337 L CA -0.757 54.117 54.840 0.057 0.000 0.811 337 L CB 0.731 42.875 42.059 0.142 0.000 1.184 337 L HN 0.582 nan 8.230 nan 0.000 0.429 338 N N 3.581 122.226 118.700 -0.092 0.000 2.508 338 N HA 0.094 4.829 4.740 -0.008 0.000 0.253 338 N C -0.193 175.339 175.510 0.035 0.000 1.145 338 N CA 0.461 53.511 53.050 -0.001 0.000 0.973 338 N CB -0.113 38.276 38.487 -0.163 0.000 1.305 338 N HN 0.703 nan 8.380 nan 0.000 0.506 339 D N -0.435 120.099 120.400 0.224 0.000 3.856 339 D HA -0.250 4.385 4.640 -0.008 0.000 0.276 339 D C 0.419 176.841 176.300 0.204 0.000 2.073 339 D CA 1.931 56.062 54.000 0.218 0.000 1.163 339 D CB -0.495 40.194 40.800 -0.185 0.000 0.937 339 D HN 0.487 nan 8.370 nan 0.000 1.140 340 T N -3.109 111.503 114.554 0.095 0.000 3.129 340 T HA 0.106 4.451 4.350 -0.008 0.000 0.251 340 T C 1.492 176.283 174.700 0.151 0.000 1.117 340 T CA 1.393 63.521 62.100 0.047 0.000 1.034 340 T CB -0.497 68.364 68.868 -0.013 0.000 0.968 340 T HN 0.519 nan 8.240 nan 0.000 0.526 341 H N 2.602 121.757 119.070 0.141 0.000 2.390 341 H HA -0.021 4.530 4.556 -0.008 0.000 0.298 341 H C -0.772 174.640 175.328 0.141 0.000 1.106 341 H CA 1.126 57.272 56.048 0.163 0.000 1.297 341 H CB -0.716 29.142 29.762 0.160 0.000 1.375 341 H HN 0.453 nan 8.280 nan 0.000 0.509 342 P HA 0.089 nan 4.420 nan 0.000 0.266 342 P C 0.771 178.114 177.300 0.071 0.000 1.561 342 P CA 0.379 63.557 63.100 0.131 0.000 1.089 342 P CB 0.495 32.261 31.700 0.110 0.000 1.534 343 S N 0.044 115.781 115.700 0.062 0.000 2.440 343 S HA -0.134 4.331 4.470 -0.008 0.000 0.238 343 S C 1.787 176.387 174.600 -0.001 0.000 1.010 343 S CA 0.807 59.003 58.200 -0.006 0.000 0.972 343 S CB -1.489 61.684 63.200 -0.045 0.000 0.774 343 S HN 0.153 nan 8.310 nan 0.000 0.501 344 L N 0.937 122.173 121.223 0.022 0.000 2.549 344 L HA 0.050 4.385 4.340 -0.008 0.000 0.229 344 L C 2.880 179.781 176.870 0.052 0.000 1.158 344 L CA 0.581 55.436 54.840 0.025 0.000 0.842 344 L CB -0.730 41.343 42.059 0.023 0.000 0.952 344 L HN 0.477 nan 8.230 nan 0.000 0.452 345 A N 0.491 123.324 122.820 0.021 0.000 1.972 345 A HA -0.168 4.147 4.320 -0.008 0.000 0.219 345 A C 2.184 179.766 177.584 -0.002 0.000 1.169 345 A CA 1.320 53.356 52.037 -0.001 0.000 0.635 345 A CB -0.399 18.593 19.000 -0.014 0.000 0.810 345 A HN 0.368 nan 8.150 nan 0.000 0.446 346 I N 0.317 120.887 120.570 0.000 0.000 2.133 346 I HA -0.143 4.022 4.170 -0.008 0.000 0.238 346 I C -0.334 175.799 176.117 0.026 0.000 1.074 346 I CA 1.531 62.829 61.300 -0.004 0.000 1.342 346 I CB -1.007 36.994 38.000 0.002 0.000 1.053 346 I HN 0.251 nan 8.210 nan 0.000 0.404 347 P HA -0.154 nan 4.420 nan 0.000 0.222 347 P C 1.241 178.557 177.300 0.028 0.000 1.153 347 P CA 1.421 64.552 63.100 0.051 0.000 0.798 347 P CB 0.062 31.811 31.700 0.082 0.000 0.796 348 E N 0.438 120.722 120.200 0.141 0.000 2.072 348 E HA -0.146 4.199 4.350 -0.008 0.000 0.191 348 E C 1.928 178.516 176.600 -0.020 0.000 0.985 348 E CA 0.664 57.167 56.400 0.171 0.000 0.801 348 E CB -1.219 28.623 29.700 0.238 0.000 0.750 348 E HN 0.001 nan 8.360 nan 0.000 0.452 349 L N -0.035 121.147 121.223 -0.069 0.000 2.046 349 L HA -0.087 4.248 4.340 -0.008 0.000 0.208 349 L C 2.087 178.820 176.870 -0.229 0.000 1.077 349 L CA 1.751 56.494 54.840 -0.162 0.000 0.747 349 L CB -0.562 41.403 42.059 -0.156 0.000 0.896 349 L HN 0.227 nan 8.230 nan 0.000 0.432 350 M N -0.767 118.710 119.600 -0.205 0.000 2.117 350 M HA -0.206 4.269 4.480 -0.008 0.000 0.262 350 M C 2.435 178.564 176.300 -0.284 0.000 1.065 350 M CA 1.533 56.655 55.300 -0.296 0.000 1.114 350 M CB -1.193 31.216 32.600 -0.318 0.000 1.361 350 M HN 0.343 nan 8.290 nan 0.000 0.408 351 R N 0.031 120.392 120.500 -0.233 0.000 2.083 351 R HA -0.128 4.207 4.340 -0.008 0.000 0.237 351 R C 2.049 178.244 176.300 -0.175 0.000 1.137 351 R CA 1.640 57.605 56.100 -0.225 0.000 0.951 351 R CB -0.163 29.950 30.300 -0.312 0.000 0.851 351 R HN 0.207 nan 8.270 nan 0.000 0.434 352 V N 1.480 121.291 119.914 -0.170 0.000 2.295 352 V HA -0.249 3.866 4.120 -0.008 0.000 0.246 352 V C 2.413 178.352 176.094 -0.259 0.000 1.049 352 V CA 1.705 63.902 62.300 -0.172 0.000 1.024 352 V CB -0.412 31.310 31.823 -0.169 0.000 0.648 352 V HN 0.343 nan 8.190 nan 0.000 0.447 353 L N -0.602 120.404 121.223 -0.363 0.000 2.056 353 L HA -0.124 4.211 4.340 -0.008 0.000 0.207 353 L C 2.399 179.086 176.870 -0.305 0.000 1.078 353 L CA 1.113 55.674 54.840 -0.466 0.000 0.749 353 L CB -0.637 41.101 42.059 -0.534 0.000 0.901 353 L HN 0.212 nan 8.230 nan 0.000 0.433 354 V N -0.484 119.289 119.914 -0.235 0.000 2.300 354 V HA -0.184 3.931 4.120 -0.008 0.000 0.241 354 V C 1.996 178.045 176.094 -0.074 0.000 1.034 354 V CA 1.706 63.928 62.300 -0.130 0.000 1.021 354 V CB -0.373 31.394 31.823 -0.093 0.000 0.662 354 V HN 0.340 nan 8.190 nan 0.000 0.458 355 D N 0.035 120.389 120.400 -0.078 0.000 2.149 355 D HA -0.027 4.608 4.640 -0.008 0.000 0.201 355 D C 2.032 178.307 176.300 -0.042 0.000 0.972 355 D CA 1.204 55.177 54.000 -0.044 0.000 0.835 355 D CB 0.022 40.794 40.800 -0.046 0.000 0.966 355 D HN 0.331 nan 8.370 nan 0.000 0.476 356 L N 0.137 121.319 121.223 -0.067 0.000 2.286 356 L HA 0.110 4.445 4.340 -0.008 0.000 0.203 356 L C 1.856 178.697 176.870 -0.047 0.000 1.068 356 L CA 0.512 55.323 54.840 -0.047 0.000 0.811 356 L CB 0.035 42.068 42.059 -0.043 0.000 0.989 356 L HN -0.188 nan 8.230 nan 0.000 0.467 357 E N 0.321 120.457 120.200 -0.107 0.000 2.442 357 E HA 0.031 4.376 4.350 -0.008 0.000 0.195 357 E C 0.128 176.692 176.600 -0.060 0.000 1.030 357 E CA -0.025 56.319 56.400 -0.093 0.000 0.869 357 E CB 0.324 29.849 29.700 -0.292 0.000 0.857 357 E HN 0.175 nan 8.360 nan 0.000 0.505 358 R N -0.254 120.206 120.500 -0.066 0.000 3.656 358 R HA -0.184 4.151 4.340 -0.008 0.000 0.297 358 R C -0.407 175.877 176.300 -0.028 0.000 1.166 358 R CA 0.233 56.316 56.100 -0.028 0.000 0.799 358 R CB -2.816 27.486 30.300 0.004 0.000 1.285 358 R HN 0.079 nan 8.270 nan 0.000 0.477 359 L N 2.052 123.228 121.223 -0.078 0.000 2.418 359 L HA 0.181 4.517 4.340 -0.008 0.000 0.265 359 L C 1.402 178.261 176.870 -0.018 0.000 1.143 359 L CA 0.096 54.900 54.840 -0.060 0.000 0.809 359 L CB 0.447 42.420 42.059 -0.143 0.000 1.124 359 L HN 0.131 nan 8.230 nan 0.000 0.456 360 D N 0.785 121.200 120.400 0.025 0.000 2.362 360 D HA -0.140 4.495 4.640 -0.008 0.000 0.242 360 D C 0.962 177.327 176.300 0.108 0.000 1.132 360 D CA -0.493 53.557 54.000 0.083 0.000 0.907 360 D CB 0.719 41.574 40.800 0.091 0.000 1.195 360 D HN 0.603 nan 8.370 nan 0.000 0.429 361 W N 2.162 123.463 121.300 0.003 0.000 2.301 361 W HA -0.252 4.404 4.660 -0.008 0.000 0.325 361 W C 1.156 177.718 176.519 0.071 0.000 1.250 361 W CA 2.048 59.401 57.345 0.015 0.000 1.261 361 W CB -0.396 29.053 29.460 -0.019 0.000 1.157 361 W HN 0.467 nan 8.180 nan 0.000 0.473 362 D N 0.324 120.944 120.400 0.366 0.000 2.133 362 D HA -0.231 4.404 4.640 -0.008 0.000 0.195 362 D C 1.855 178.262 176.300 0.178 0.000 0.997 362 D CA 2.177 56.356 54.000 0.300 0.000 0.840 362 D CB -0.423 40.517 40.800 0.233 0.000 0.947 362 D HN 0.112 nan 8.370 nan 0.000 0.452 363 K N 1.200 121.659 120.400 0.099 0.000 2.057 363 K HA 0.011 4.326 4.320 -0.008 0.000 0.206 363 K C 1.872 178.461 176.600 -0.019 0.000 1.050 363 K CA 1.449 57.764 56.287 0.047 0.000 0.935 363 K CB -0.563 31.958 32.500 0.036 0.000 0.715 363 K HN -0.001 nan 8.250 nan 0.000 0.439 364 A N 0.628 123.390 122.820 -0.096 0.000 1.908 364 A HA -0.187 4.128 4.320 -0.008 0.000 0.218 364 A C 2.259 179.744 177.584 -0.166 0.000 1.181 364 A CA 1.514 53.423 52.037 -0.213 0.000 0.627 364 A CB -1.235 17.565 19.000 -0.333 0.000 0.818 364 A HN 0.699 nan 8.150 nan 0.000 0.445 365 W N 0.614 121.700 121.300 -0.357 0.000 2.363 365 W HA -0.162 4.493 4.660 -0.008 0.000 0.296 365 W C 1.971 178.433 176.519 -0.095 0.000 1.212 365 W CA 1.788 58.980 57.345 -0.256 0.000 1.260 365 W CB -0.085 29.273 29.460 -0.170 0.000 1.131 365 W HN 0.601 nan 8.180 nan 0.000 0.530 366 E N 0.068 120.261 120.200 -0.012 0.000 2.051 366 E HA -0.222 4.124 4.350 -0.008 0.000 0.192 366 E C 2.056 178.579 176.600 -0.128 0.000 0.991 366 E CA 1.866 58.225 56.400 -0.069 0.000 0.799 366 E CB -0.282 29.435 29.700 0.027 0.000 0.748 366 E HN 0.061 nan 8.360 nan 0.000 0.449 367 V N 0.702 120.556 119.914 -0.101 0.000 2.343 367 V HA -0.256 3.859 4.120 -0.008 0.000 0.247 367 V C 2.393 178.421 176.094 -0.110 0.000 1.051 367 V CA 2.172 64.430 62.300 -0.071 0.000 1.036 367 V CB -0.768 31.001 31.823 -0.089 0.000 0.654 367 V HN 0.366 nan 8.190 nan 0.000 0.451 368 T N 0.079 114.497 114.554 -0.227 0.000 2.708 368 T HA -0.179 4.166 4.350 -0.008 0.000 0.266 368 T C 1.961 176.486 174.700 -0.293 0.000 1.037 368 T CA 1.772 63.714 62.100 -0.262 0.000 1.146 368 T CB -0.297 68.362 68.868 -0.350 0.000 0.865 368 T HN 0.276 nan 8.240 nan 0.000 0.435 369 V N 1.535 121.156 119.914 -0.488 0.000 2.287 369 V HA -0.192 3.923 4.120 -0.008 0.000 0.248 369 V C 2.336 178.388 176.094 -0.071 0.000 1.053 369 V CA 1.675 63.747 62.300 -0.380 0.000 1.027 369 V CB -0.510 31.015 31.823 -0.496 0.000 0.646 369 V HN 0.489 nan 8.190 nan 0.000 0.447 370 K N -0.540 119.800 120.400 -0.100 0.000 2.362 370 K HA -0.077 4.238 4.320 -0.008 0.000 0.200 370 K C 2.057 178.623 176.600 -0.057 0.000 1.046 370 K CA 1.470 57.676 56.287 -0.136 0.000 0.952 370 K CB -0.196 32.228 32.500 -0.127 0.000 0.753 370 K HN 0.465 nan 8.250 nan 0.000 0.466 371 T N 0.235 114.822 114.554 0.055 0.000 2.976 371 T HA 0.029 4.374 4.350 -0.008 0.000 0.257 371 T C 0.907 175.722 174.700 0.191 0.000 1.051 371 T CA 0.347 62.519 62.100 0.120 0.000 1.141 371 T CB 0.118 69.096 68.868 0.184 0.000 0.881 371 T HN 0.173 nan 8.240 nan 0.000 0.461 372 C N 2.432 121.826 119.300 0.156 0.000 2.401 372 C HA 0.876 5.331 4.460 -0.008 0.000 0.365 372 C C 0.583 175.636 174.990 0.106 0.000 1.250 372 C CA -1.286 57.806 59.018 0.124 0.000 2.131 372 C CB 0.069 27.820 27.740 0.018 0.000 2.445 372 C HN 0.579 nan 8.230 nan 0.000 0.550 373 A N 2.052 124.929 122.820 0.096 0.000 2.449 373 A HA 0.747 5.062 4.320 -0.008 0.000 0.302 373 A C -1.481 176.182 177.584 0.133 0.000 1.048 373 A CA -0.413 51.627 52.037 0.004 0.000 0.708 373 A CB 0.999 20.040 19.000 0.068 0.000 1.274 373 A HN 0.951 nan 8.150 nan 0.000 0.410 374 Y N 1.231 121.486 120.300 -0.076 0.000 2.376 374 Y HA 0.648 5.193 4.550 -0.008 0.000 0.340 374 Y C -0.520 175.373 175.900 -0.011 0.000 0.965 374 Y CA -0.317 57.758 58.100 -0.043 0.000 1.078 374 Y CB 2.054 40.449 38.460 -0.109 0.000 1.193 374 Y HN 0.556 nan 8.280 nan 0.000 0.452 375 T N 6.644 121.007 114.554 -0.320 0.000 2.770 375 T HA 0.189 4.534 4.350 -0.008 0.000 0.283 375 T C -0.797 173.465 174.700 -0.731 0.000 0.988 375 T CA -0.806 61.036 62.100 -0.431 0.000 0.957 375 T CB 0.398 69.245 68.868 -0.035 0.000 0.930 375 T HN 0.664 nan 8.240 nan 0.000 0.443 376 N N 1.878 120.132 118.700 -0.744 0.000 2.498 376 N HA 0.141 4.877 4.740 -0.008 0.000 0.287 376 N C -0.029 175.359 175.510 -0.203 0.000 1.097 376 N CA -0.336 52.510 53.050 -0.340 0.000 0.973 376 N CB 0.790 39.248 38.487 -0.047 0.000 1.153 376 N HN 0.684 nan 8.380 nan 0.000 0.472 377 H N 0.918 120.022 119.070 0.057 0.000 2.923 377 H HA 0.177 4.728 4.556 -0.008 0.000 0.268 377 H C -0.247 174.988 175.328 -0.156 0.000 1.148 377 H CA -0.103 55.917 56.048 -0.046 0.000 1.146 377 H CB 1.146 30.886 29.762 -0.038 0.000 1.607 377 H HN 0.514 nan 8.280 nan 0.000 0.566 378 T N 0.352 114.931 114.554 0.042 0.000 2.830 378 T HA 0.262 4.607 4.350 -0.008 0.000 0.322 378 T C 0.177 174.892 174.700 0.025 0.000 1.501 378 T CA -0.325 61.749 62.100 -0.042 0.000 1.036 378 T CB 1.448 70.295 68.868 -0.035 0.000 1.379 378 T HN -0.022 nan 8.240 nan 0.000 0.493 379 V N 1.136 121.023 119.914 -0.044 0.000 3.432 379 V HA 0.562 4.677 4.120 -0.008 0.000 0.298 379 V C 0.401 176.455 176.094 -0.067 0.000 1.464 379 V CA -0.133 62.130 62.300 -0.062 0.000 1.046 379 V CB -0.261 31.528 31.823 -0.056 0.000 0.887 379 V HN 0.672 nan 8.190 nan 0.000 0.441 380 L N 3.503 124.677 121.223 -0.082 0.000 2.477 380 L HA 0.254 4.589 4.340 -0.008 0.000 0.272 380 L C -0.488 176.381 176.870 -0.001 0.000 1.157 380 L CA -1.098 53.718 54.840 -0.040 0.000 0.889 380 L CB 0.964 42.974 42.059 -0.081 0.000 1.158 380 L HN 0.119 nan 8.230 nan 0.000 0.473 381 P HA -0.236 nan 4.420 nan 0.000 0.216 381 P C 0.906 178.212 177.300 0.011 0.000 1.150 381 P CA 1.383 64.488 63.100 0.008 0.000 0.843 381 P CB 0.070 31.781 31.700 0.018 0.000 0.787 382 E N 0.161 120.395 120.200 0.057 0.000 2.478 382 E HA -0.029 4.316 4.350 -0.008 0.000 0.198 382 E C 1.574 178.156 176.600 -0.030 0.000 1.046 382 E CA 0.998 57.421 56.400 0.037 0.000 0.870 382 E CB -0.614 29.210 29.700 0.206 0.000 0.818 382 E HN 0.230 nan 8.360 nan 0.000 0.527 383 A N 1.085 123.921 122.820 0.026 0.000 2.252 383 A HA 0.263 4.578 4.320 -0.008 0.000 0.213 383 A C 1.227 178.805 177.584 -0.009 0.000 1.188 383 A CA -0.356 51.708 52.037 0.045 0.000 0.863 383 A CB 0.039 19.086 19.000 0.078 0.000 0.893 383 A HN 0.136 nan 8.150 nan 0.000 0.495 384 L N 1.596 122.772 121.223 -0.078 0.000 2.367 384 L HA 0.166 4.501 4.340 -0.008 0.000 0.275 384 L C -0.123 176.451 176.870 -0.495 0.000 1.129 384 L CA -0.213 54.526 54.840 -0.169 0.000 0.839 384 L CB 0.675 42.666 42.059 -0.114 0.000 1.133 384 L HN 0.320 nan 8.230 nan 0.000 0.453 385 E N 4.150 123.953 120.200 -0.662 0.000 2.223 385 E HA 0.254 4.599 4.350 -0.008 0.000 0.282 385 E C -0.677 175.322 176.600 -1.002 0.000 1.046 385 E CA -0.227 55.323 56.400 -1.417 0.000 0.857 385 E CB 0.762 29.941 29.700 -0.868 0.000 1.055 385 E HN 0.409 nan 8.360 nan 0.000 0.409 386 R N 3.636 123.432 120.500 -1.173 0.000 2.545 386 R HA 0.205 4.540 4.340 -0.008 0.000 0.289 386 R C -1.313 174.815 176.300 -0.286 0.000 1.327 386 R CA -0.558 55.266 56.100 -0.460 0.000 1.040 386 R CB 0.827 30.980 30.300 -0.245 0.000 1.176 386 R HN 0.453 nan 8.270 nan 0.000 0.518 387 W N 4.231 125.481 121.300 -0.084 0.000 2.316 387 W HA 0.299 4.954 4.660 -0.008 0.000 0.311 387 W C -1.946 174.546 176.519 -0.046 0.000 1.217 387 W CA -2.162 55.193 57.345 0.016 0.000 1.199 387 W CB 0.744 30.191 29.460 -0.021 0.000 1.202 387 W HN 0.248 nan 8.180 nan 0.000 0.528 388 P HA -0.076 nan 4.420 nan 0.000 0.268 388 P C 0.774 178.004 177.300 -0.116 0.000 1.204 388 P CA 0.172 63.240 63.100 -0.053 0.000 0.768 388 P CB 0.788 32.300 31.700 -0.313 0.000 0.842 389 V N 3.225 123.121 119.914 -0.030 0.000 2.392 389 V HA -0.283 3.832 4.120 -0.008 0.000 0.249 389 V C 2.108 178.203 176.094 0.001 0.000 1.059 389 V CA 2.495 64.800 62.300 0.009 0.000 1.051 389 V CB -1.736 30.156 31.823 0.115 0.000 0.658 389 V HN 0.761 nan 8.190 nan 0.000 0.455 390 H N -0.956 118.174 119.070 0.100 0.000 2.456 390 H HA -0.104 4.448 4.556 -0.008 0.000 0.296 390 H C 2.001 177.381 175.328 0.087 0.000 1.079 390 H CA 1.673 57.776 56.048 0.091 0.000 1.322 390 H CB -0.558 29.258 29.762 0.091 0.000 1.388 390 H HN 0.369 nan 8.280 nan 0.000 0.538 391 L N -0.114 120.972 121.223 -0.230 0.000 2.044 391 L HA -0.057 4.278 4.340 -0.008 0.000 0.205 391 L C 2.326 179.160 176.870 -0.060 0.000 1.075 391 L CA 0.920 55.725 54.840 -0.058 0.000 0.747 391 L CB -0.192 41.821 42.059 -0.077 0.000 0.903 391 L HN 0.323 nan 8.230 nan 0.000 0.435 392 L N -0.617 120.539 121.223 -0.112 0.000 2.093 392 L HA -0.229 4.106 4.340 -0.008 0.000 0.208 392 L C 2.469 179.278 176.870 -0.102 0.000 1.085 392 L CA 1.082 55.826 54.840 -0.161 0.000 0.755 392 L CB -0.449 41.499 42.059 -0.184 0.000 0.904 392 L HN 0.334 nan 8.230 nan 0.000 0.435 393 E N -0.280 119.904 120.200 -0.027 0.000 2.085 393 E HA -0.214 4.131 4.350 -0.008 0.000 0.194 393 E C 1.898 178.539 176.600 0.067 0.000 0.994 393 E CA 1.897 58.314 56.400 0.028 0.000 0.801 393 E CB 0.152 29.909 29.700 0.095 0.000 0.743 393 E HN 0.425 nan 8.360 nan 0.000 0.453 394 T N 0.599 115.217 114.554 0.107 0.000 2.894 394 T HA -0.051 4.294 4.350 -0.008 0.000 0.258 394 T C 1.672 176.495 174.700 0.204 0.000 1.043 394 T CA 0.514 62.730 62.100 0.192 0.000 1.141 394 T CB -0.051 68.964 68.868 0.245 0.000 0.873 394 T HN 0.062 nan 8.240 nan 0.000 0.449 395 L N 0.155 121.400 121.223 0.035 0.000 2.127 395 L HA 0.364 4.699 4.340 -0.008 0.000 0.203 395 L C 0.347 177.148 176.870 -0.114 0.000 1.080 395 L CA 1.581 56.324 54.840 -0.162 0.000 0.768 395 L CB 0.043 41.977 42.059 -0.210 0.000 0.924 395 L HN 0.163 nan 8.230 nan 0.000 0.444 396 L N 0.907 122.022 121.223 -0.180 0.000 2.551 396 L HA 0.293 4.628 4.340 -0.008 0.000 0.248 396 L C -1.651 175.033 176.870 -0.311 0.000 1.509 396 L CA -0.983 53.656 54.840 -0.335 0.000 0.842 396 L CB 0.927 42.627 42.059 -0.598 0.000 1.087 396 L HN -0.053 nan 8.230 nan 0.000 0.512 397 P HA -0.235 nan 4.420 nan 0.000 0.216 397 P C 1.459 178.565 177.300 -0.322 0.000 1.153 397 P CA 1.342 64.321 63.100 -0.201 0.000 0.858 397 P CB 0.392 32.052 31.700 -0.068 0.000 0.789 398 R N -0.374 119.750 120.500 -0.627 0.000 2.075 398 R HA -0.138 4.197 4.340 -0.008 0.000 0.232 398 R C 2.392 178.388 176.300 -0.507 0.000 1.126 398 R CA 1.559 57.302 56.100 -0.596 0.000 0.963 398 R CB -1.413 28.364 30.300 -0.872 0.000 0.858 398 R HN 0.227 nan 8.270 nan 0.000 0.435 399 H N -0.205 118.545 119.070 -0.533 0.000 2.387 399 H HA -0.060 4.491 4.556 -0.008 0.000 0.299 399 H C 1.778 176.927 175.328 -0.299 0.000 1.090 399 H CA 1.615 57.436 56.048 -0.379 0.000 1.332 399 H CB -0.088 29.411 29.762 -0.438 0.000 1.386 399 H HN 0.107 nan 8.280 nan 0.000 0.516 400 L N 0.519 121.610 121.223 -0.219 0.000 2.046 400 L HA -0.237 4.098 4.340 -0.008 0.000 0.208 400 L C 1.816 178.480 176.870 -0.343 0.000 1.077 400 L CA 1.613 56.253 54.840 -0.332 0.000 0.747 400 L CB -0.282 41.604 42.059 -0.290 0.000 0.896 400 L HN 0.449 nan 8.230 nan 0.000 0.432 401 Q N -0.279 119.438 119.800 -0.139 0.000 2.084 401 Q HA -0.229 4.106 4.340 -0.008 0.000 0.202 401 Q C 2.170 178.189 176.000 0.032 0.000 0.978 401 Q CA 1.613 57.433 55.803 0.028 0.000 0.844 401 Q CB -0.097 28.663 28.738 0.036 0.000 0.898 401 Q HN 0.558 nan 8.270 nan 0.000 0.426 402 I N 0.502 121.065 120.570 -0.011 0.000 2.286 402 I HA -0.268 3.898 4.170 -0.008 0.000 0.248 402 I C 2.172 178.360 176.117 0.118 0.000 1.115 402 I CA 1.034 62.409 61.300 0.124 0.000 1.392 402 I CB -0.165 37.853 38.000 0.031 0.000 1.065 402 I HN 0.203 nan 8.210 nan 0.000 0.418 403 I N -0.434 120.122 120.570 -0.023 0.000 2.226 403 I HA -0.311 3.854 4.170 -0.008 0.000 0.245 403 I C 2.400 178.529 176.117 0.020 0.000 1.100 403 I CA 1.430 62.706 61.300 -0.041 0.000 1.374 403 I CB -0.370 37.532 38.000 -0.163 0.000 1.057 403 I HN 0.155 nan 8.210 nan 0.000 0.413 404 Y N 0.833 121.137 120.300 0.005 0.000 2.181 404 Y HA -0.262 4.283 4.550 -0.008 0.000 0.288 404 Y C 2.590 178.454 175.900 -0.060 0.000 1.146 404 Y CA 1.484 59.574 58.100 -0.017 0.000 1.164 404 Y CB -0.759 37.684 38.460 -0.028 0.000 0.982 404 Y HN 0.193 nan 8.280 nan 0.000 0.515 405 E N 0.455 120.692 120.200 0.062 0.000 2.072 405 E HA -0.143 4.202 4.350 -0.008 0.000 0.191 405 E C 2.026 178.528 176.600 -0.163 0.000 0.985 405 E CA 1.299 57.588 56.400 -0.184 0.000 0.801 405 E CB -0.542 28.879 29.700 -0.465 0.000 0.750 405 E HN 0.481 nan 8.360 nan 0.000 0.452 406 I N 0.596 121.174 120.570 0.012 0.000 2.226 406 I HA -0.264 3.901 4.170 -0.008 0.000 0.245 406 I C 2.265 178.383 176.117 0.002 0.000 1.100 406 I CA 1.366 62.636 61.300 -0.050 0.000 1.374 406 I CB -0.385 37.603 38.000 -0.020 0.000 1.057 406 I HN 0.215 nan 8.210 nan 0.000 0.413 407 N N 0.764 119.514 118.700 0.083 0.000 2.120 407 N HA -0.262 4.473 4.740 -0.008 0.000 0.188 407 N C 1.871 177.466 175.510 0.142 0.000 1.024 407 N CA 1.507 54.659 53.050 0.169 0.000 0.852 407 N CB -0.117 38.487 38.487 0.194 0.000 1.003 407 N HN 0.279 nan 8.380 nan 0.000 0.424 408 Q N -0.021 119.807 119.800 0.046 0.000 2.030 408 Q HA -0.122 4.214 4.340 -0.008 0.000 0.204 408 Q C 2.010 177.989 176.000 -0.034 0.000 0.986 408 Q CA 1.556 57.348 55.803 -0.017 0.000 0.843 408 Q CB 0.013 28.698 28.738 -0.088 0.000 0.904 408 Q HN 0.387 nan 8.270 nan 0.000 0.420 409 R N -0.783 119.673 120.500 -0.074 0.000 2.092 409 R HA -0.116 4.219 4.340 -0.008 0.000 0.231 409 R C 2.173 178.494 176.300 0.035 0.000 1.119 409 R CA 1.158 57.212 56.100 -0.077 0.000 0.970 409 R CB -0.353 29.841 30.300 -0.177 0.000 0.864 409 R HN 0.281 nan 8.270 nan 0.000 0.440 410 F N 1.662 121.584 119.950 -0.046 0.000 2.113 410 F HA -0.087 4.435 4.527 -0.008 0.000 0.297 410 F C 1.876 177.702 175.800 0.043 0.000 1.103 410 F CA 1.291 59.316 58.000 0.041 0.000 1.248 410 F CB -0.207 38.851 39.000 0.097 0.000 0.999 410 F HN -0.129 nan 8.300 nan 0.000 0.475 411 L N -0.029 121.200 121.223 0.010 0.000 2.201 411 L HA -0.226 4.109 4.340 -0.008 0.000 0.212 411 L C 1.984 178.785 176.870 -0.115 0.000 1.105 411 L CA 1.476 56.260 54.840 -0.093 0.000 0.775 411 L CB -0.884 41.186 42.059 0.019 0.000 0.913 411 L HN 0.256 nan 8.230 nan 0.000 0.440 412 N N -0.204 118.448 118.700 -0.081 0.000 2.244 412 N HA -0.155 4.580 4.740 -0.008 0.000 0.183 412 N C 1.945 177.398 175.510 -0.094 0.000 1.016 412 N CA 0.664 53.669 53.050 -0.075 0.000 0.866 412 N CB 0.035 38.485 38.487 -0.062 0.000 0.980 412 N HN 0.257 nan 8.380 nan 0.000 0.430 413 R N 0.491 120.915 120.500 -0.127 0.000 2.092 413 R HA -0.025 4.310 4.340 -0.008 0.000 0.231 413 R C 2.123 178.318 176.300 -0.175 0.000 1.119 413 R CA 0.738 56.758 56.100 -0.133 0.000 0.970 413 R CB -0.105 30.124 30.300 -0.118 0.000 0.864 413 R HN 0.056 nan 8.270 nan 0.000 0.440 414 V N 0.629 120.387 119.914 -0.260 0.000 2.307 414 V HA -0.215 3.900 4.120 -0.008 0.000 0.245 414 V C 2.350 178.438 176.094 -0.011 0.000 1.045 414 V CA 1.938 64.151 62.300 -0.145 0.000 1.024 414 V CB -0.659 31.011 31.823 -0.254 0.000 0.651 414 V HN 0.415 nan 8.190 nan 0.000 0.449 415 A N 0.036 122.823 122.820 -0.054 0.000 1.940 415 A HA -0.123 4.192 4.320 -0.008 0.000 0.219 415 A C 2.368 179.928 177.584 -0.040 0.000 1.176 415 A CA 2.109 54.131 52.037 -0.024 0.000 0.631 415 A CB -0.667 18.310 19.000 -0.038 0.000 0.814 415 A HN 0.580 nan 8.150 nan 0.000 0.446 416 A N -0.638 122.137 122.820 -0.075 0.000 1.968 416 A HA 0.318 4.633 4.320 -0.008 0.000 0.217 416 A C 2.355 179.845 177.584 -0.157 0.000 1.169 416 A CA 1.652 53.633 52.037 -0.093 0.000 0.638 416 A CB -0.633 18.316 19.000 -0.085 0.000 0.812 416 A HN 0.950 nan 8.150 nan 0.000 0.446 417 A N -1.604 121.076 122.820 -0.235 0.000 1.975 417 A HA 0.386 4.701 4.320 -0.008 0.000 0.215 417 A C 0.441 177.554 177.584 -0.785 0.000 1.170 417 A CA 0.510 52.228 52.037 -0.531 0.000 0.656 417 A CB -0.140 18.457 19.000 -0.671 0.000 0.821 417 A HN 0.416 nan 8.150 nan 0.000 0.449 418 F N -0.103 119.799 119.950 -0.080 0.000 2.584 418 F HA 0.344 4.866 4.527 -0.008 0.000 0.328 418 F C -2.772 172.991 175.800 -0.062 0.000 1.407 418 F CA -2.872 55.086 58.000 -0.070 0.000 1.145 418 F CB 0.635 39.586 39.000 -0.083 0.000 1.440 418 F HN -0.076 nan 8.300 nan 0.000 0.580 419 P HA 0.125 nan 4.420 nan 0.000 0.261 419 P C 1.037 178.356 177.300 0.032 0.000 1.183 419 P CA 1.311 64.421 63.100 0.017 0.000 0.761 419 P CB 0.685 32.378 31.700 -0.013 0.000 0.785 420 G N 2.775 111.587 108.800 0.020 0.000 2.234 420 G HA2 -0.260 3.695 3.960 -0.008 0.000 0.260 420 G HA3 -0.260 3.695 3.960 -0.008 0.000 0.260 420 G C 0.403 175.313 174.900 0.015 0.000 0.987 420 G CA 0.105 45.213 45.100 0.014 0.000 0.625 420 G HN 0.609 nan 8.290 nan 0.000 0.532 421 D N 1.501 121.919 120.400 0.030 0.000 2.551 421 D HA 0.364 4.999 4.640 -0.008 0.000 0.223 421 D C 2.122 178.413 176.300 -0.015 0.000 1.144 421 D CA 0.423 54.426 54.000 0.005 0.000 1.025 421 D CB 0.310 41.113 40.800 0.004 0.000 1.085 421 D HN 0.624 nan 8.370 nan 0.000 0.506 422 V N 0.667 120.573 119.914 -0.013 0.000 2.515 422 V HA -0.156 3.959 4.120 -0.008 0.000 0.250 422 V C 1.781 177.863 176.094 -0.020 0.000 1.058 422 V CA 1.579 63.871 62.300 -0.014 0.000 1.064 422 V CB -0.438 31.380 31.823 -0.008 0.000 0.675 422 V HN 0.214 nan 8.190 nan 0.000 0.461 423 D N 0.506 120.890 120.400 -0.027 0.000 2.149 423 D HA -0.165 4.470 4.640 -0.008 0.000 0.201 423 D C 2.343 178.614 176.300 -0.048 0.000 0.972 423 D CA 1.369 55.353 54.000 -0.027 0.000 0.835 423 D CB -0.229 40.555 40.800 -0.027 0.000 0.966 423 D HN 0.450 nan 8.370 nan 0.000 0.476 424 R N -0.060 120.386 120.500 -0.089 0.000 2.081 424 R HA -0.102 4.233 4.340 -0.008 0.000 0.235 424 R C 2.271 178.501 176.300 -0.116 0.000 1.131 424 R CA 0.924 56.933 56.100 -0.152 0.000 0.960 424 R CB -0.287 29.857 30.300 -0.259 0.000 0.856 424 R HN 0.258 nan 8.270 nan 0.000 0.436 425 L N 0.656 121.837 121.223 -0.070 0.000 2.012 425 L HA -0.220 4.115 4.340 -0.008 0.000 0.210 425 L C 2.702 179.577 176.870 0.009 0.000 1.073 425 L CA 1.958 56.776 54.840 -0.036 0.000 0.748 425 L CB -0.516 41.532 42.059 -0.019 0.000 0.891 425 L HN 0.293 nan 8.230 nan 0.000 0.431 426 R N 0.065 120.575 120.500 0.017 0.000 2.115 426 R HA -0.091 4.244 4.340 -0.008 0.000 0.226 426 R C 2.116 178.467 176.300 0.085 0.000 1.100 426 R CA 0.988 57.120 56.100 0.053 0.000 0.980 426 R CB -0.560 29.765 30.300 0.041 0.000 0.875 426 R HN 0.202 nan 8.270 nan 0.000 0.445 427 R N 0.118 120.648 120.500 0.051 0.000 2.090 427 R HA 0.130 4.465 4.340 -0.008 0.000 0.228 427 R C 2.017 178.396 176.300 0.131 0.000 1.110 427 R CA 1.711 57.864 56.100 0.089 0.000 0.973 427 R CB -0.186 30.127 30.300 0.021 0.000 0.869 427 R HN 0.323 nan 8.270 nan 0.000 0.440 428 M N 0.194 119.797 119.600 0.005 0.000 2.541 428 M HA 0.039 4.514 4.480 -0.008 0.000 0.252 428 M C 0.905 177.364 176.300 0.266 0.000 1.125 428 M CA 0.028 55.289 55.300 -0.065 0.000 1.091 428 M CB 0.383 32.791 32.600 -0.320 0.000 1.420 428 M HN -0.076 nan 8.290 nan 0.000 0.486 429 S N 0.997 116.860 115.700 0.272 0.000 2.558 429 S HA 0.039 4.504 4.470 -0.008 0.000 0.287 429 S C 1.120 175.980 174.600 0.434 0.000 1.321 429 S CA -0.187 58.203 58.200 0.317 0.000 1.048 429 S CB 0.578 63.907 63.200 0.214 0.000 0.844 429 S HN 0.369 nan 8.310 nan 0.000 0.512 430 L N 3.747 125.173 121.223 0.338 0.000 2.313 430 L HA 0.125 4.460 4.340 -0.008 0.000 0.214 430 L C 0.212 177.192 176.870 0.182 0.000 1.119 430 L CA 0.267 55.265 54.840 0.263 0.000 0.809 430 L CB -0.301 41.852 42.059 0.157 0.000 0.933 430 L HN 0.394 nan 8.230 nan 0.000 0.449 431 V N 0.821 120.856 119.914 0.202 0.000 2.370 431 V HA 0.178 4.293 4.120 -0.008 0.000 0.279 431 V C 0.029 176.214 176.094 0.150 0.000 1.029 431 V CA -0.606 61.800 62.300 0.176 0.000 0.870 431 V CB 1.409 33.370 31.823 0.230 0.000 0.984 431 V HN 0.169 nan 8.190 nan 0.000 0.451 432 E N 3.220 123.488 120.200 0.113 0.000 2.174 432 E HA 0.424 4.769 4.350 -0.008 0.000 0.282 432 E C -0.684 175.969 176.600 0.089 0.000 0.992 432 E CA -0.547 55.911 56.400 0.096 0.000 0.803 432 E CB 1.994 31.732 29.700 0.063 0.000 1.090 432 E HN 0.610 nan 8.360 nan 0.000 0.396 433 E N 0.917 121.166 120.200 0.081 0.000 2.280 433 E HA 0.647 4.992 4.350 -0.008 0.000 0.264 433 E C 0.125 176.762 176.600 0.061 0.000 1.064 433 E CA 0.283 56.725 56.400 0.070 0.000 0.900 433 E CB 1.508 31.244 29.700 0.059 0.000 1.123 433 E HN 0.638 nan 8.360 nan 0.000 0.418 434 G N -0.088 108.747 108.800 0.058 0.000 2.291 434 G HA2 0.235 4.190 3.960 -0.008 0.000 0.249 434 G HA3 0.235 4.190 3.960 -0.008 0.000 0.249 434 G C 0.495 175.427 174.900 0.055 0.000 1.340 434 G CA 0.299 45.430 45.100 0.051 0.000 1.017 434 G HN 0.642 nan 8.290 nan 0.000 0.470 435 A N -0.837 122.014 122.820 0.052 0.000 1.873 435 A HA 0.249 4.564 4.320 -0.008 0.000 0.219 435 A C 1.765 179.392 177.584 0.071 0.000 1.269 435 A CA 4.449 56.518 52.037 0.054 0.000 0.671 435 A CB -1.293 17.738 19.000 0.051 0.000 0.842 435 A HN 2.408 nan 8.150 nan 0.000 0.460 436 V N -3.219 116.748 119.914 0.088 0.000 2.604 436 V HA 0.569 4.684 4.120 -0.008 0.000 0.305 436 V C -0.587 175.576 176.094 0.115 0.000 1.043 436 V CA -1.368 61.007 62.300 0.125 0.000 0.888 436 V CB 1.618 33.546 31.823 0.175 0.000 0.995 436 V HN 0.381 nan 8.190 nan 0.000 0.429 437 K N 4.212 124.687 120.400 0.125 0.000 2.382 437 K HA 0.488 4.803 4.320 -0.008 0.000 0.275 437 K C -0.381 176.282 176.600 0.106 0.000 1.009 437 K CA -0.167 56.190 56.287 0.116 0.000 0.970 437 K CB 0.836 33.418 32.500 0.137 0.000 0.934 437 K HN 0.739 nan 8.250 nan 0.000 0.479 438 R N 1.410 121.963 120.500 0.088 0.000 2.837 438 R HA 0.485 4.820 4.340 -0.008 0.000 0.271 438 R C -0.637 175.698 176.300 0.059 0.000 0.993 438 R CA -1.039 55.102 56.100 0.068 0.000 0.931 438 R CB 1.313 31.637 30.300 0.040 0.000 1.206 438 R HN 0.370 nan 8.270 nan 0.000 0.474 439 I N 1.865 122.465 120.570 0.051 0.000 2.354 439 I HA 0.166 4.331 4.170 -0.008 0.000 0.292 439 I C -0.213 175.886 176.117 -0.030 0.000 0.989 439 I CA -0.745 60.571 61.300 0.028 0.000 1.188 439 I CB 1.261 39.276 38.000 0.023 0.000 1.342 439 I HN 0.509 nan 8.210 nan 0.000 0.457 440 N N 7.124 125.774 118.700 -0.084 0.000 2.439 440 N HA 0.091 4.826 4.740 -0.008 0.000 0.243 440 N C 0.843 176.240 175.510 -0.188 0.000 1.088 440 N CA -0.346 52.566 53.050 -0.229 0.000 0.940 440 N CB 0.941 39.127 38.487 -0.503 0.000 1.180 440 N HN 0.375 nan 8.380 nan 0.000 0.505 441 M N 2.393 121.895 119.600 -0.165 0.000 2.213 441 M HA -0.084 4.391 4.480 -0.008 0.000 0.263 441 M C 1.958 178.115 176.300 -0.238 0.000 1.062 441 M CA 0.789 56.008 55.300 -0.135 0.000 1.105 441 M CB -1.611 30.953 32.600 -0.060 0.000 1.385 441 M HN 0.599 nan 8.290 nan 0.000 0.417 442 A N -0.392 122.287 122.820 -0.234 0.000 1.902 442 A HA -0.181 4.134 4.320 -0.008 0.000 0.217 442 A C 1.994 179.358 177.584 -0.368 0.000 1.181 442 A CA 1.575 53.452 52.037 -0.267 0.000 0.623 442 A CB -1.172 17.892 19.000 0.107 0.000 0.818 442 A HN 0.613 nan 8.150 nan 0.000 0.443 443 H N -1.054 117.796 119.070 -0.367 0.000 2.387 443 H HA -0.035 4.516 4.556 -0.008 0.000 0.299 443 H C 2.127 177.208 175.328 -0.411 0.000 1.090 443 H CA 0.925 56.691 56.048 -0.471 0.000 1.332 443 H CB -0.068 29.639 29.762 -0.093 0.000 1.386 443 H HN 0.378 nan 8.280 nan 0.000 0.516 444 L N 0.410 121.539 121.223 -0.156 0.000 2.017 444 L HA -0.228 4.107 4.340 -0.008 0.000 0.208 444 L C 2.231 178.960 176.870 -0.234 0.000 1.073 444 L CA 1.332 56.083 54.840 -0.148 0.000 0.745 444 L CB -0.413 41.587 42.059 -0.098 0.000 0.894 444 L HN 0.447 nan 8.230 nan 0.000 0.432 445 C N 0.046 119.106 119.300 -0.400 0.000 2.429 445 C HA -0.175 4.280 4.460 -0.008 0.000 0.277 445 C C 2.671 177.406 174.990 -0.425 0.000 1.262 445 C CA 0.624 59.326 59.018 -0.527 0.000 1.733 445 C CB -0.767 26.265 27.740 -1.182 0.000 2.010 445 C HN 0.516 nan 8.230 nan 0.000 0.483 446 I N 1.346 121.619 120.570 -0.495 0.000 2.202 446 I HA -0.191 3.974 4.170 -0.008 0.000 0.242 446 I C 2.772 178.737 176.117 -0.254 0.000 1.091 446 I CA 1.618 62.675 61.300 -0.404 0.000 1.368 446 I CB -0.604 37.004 38.000 -0.654 0.000 1.058 446 I HN 0.260 nan 8.210 nan 0.000 0.410 447 A N 0.636 123.270 122.820 -0.309 0.000 1.940 447 A HA -0.124 4.191 4.320 -0.008 0.000 0.219 447 A C 2.197 179.831 177.584 0.083 0.000 1.176 447 A CA 1.952 53.861 52.037 -0.214 0.000 0.631 447 A CB -1.190 17.494 19.000 -0.525 0.000 0.814 447 A HN 0.488 nan 8.150 nan 0.000 0.446 448 G N -1.175 107.611 108.800 -0.022 0.000 3.371 448 G HA2 0.421 4.376 3.960 -0.008 0.000 0.248 448 G HA3 0.421 4.376 3.960 -0.008 0.000 0.248 448 G C 0.081 174.817 174.900 -0.274 0.000 1.161 448 G CA 0.474 45.431 45.100 -0.238 0.000 0.796 448 G HN 0.345 nan 8.290 nan 0.000 0.539 449 S N -0.373 115.221 115.700 -0.175 0.000 2.536 449 S HA 0.333 4.798 4.470 -0.008 0.000 0.298 449 S C 0.700 175.240 174.600 -0.100 0.000 1.083 449 S CA -0.719 57.403 58.200 -0.129 0.000 0.995 449 S CB 1.274 64.405 63.200 -0.114 0.000 1.058 449 S HN 0.507 nan 8.310 nan 0.000 0.488 450 H N -0.172 118.855 119.070 -0.071 0.000 2.548 450 H HA 0.523 5.074 4.556 -0.008 0.000 0.265 450 H C 0.091 175.393 175.328 -0.043 0.000 0.969 450 H CA 0.193 56.221 56.048 -0.032 0.000 1.155 450 H CB 0.154 29.915 29.762 -0.001 0.000 1.394 450 H HN 0.504 nan 8.280 nan 0.000 0.570 451 A N 0.969 123.459 122.820 -0.550 0.000 2.488 451 A HA 0.558 4.873 4.320 -0.008 0.000 0.298 451 A C -1.445 175.928 177.584 -0.352 0.000 1.044 451 A CA -0.570 51.204 52.037 -0.437 0.000 0.693 451 A CB 2.209 20.917 19.000 -0.487 0.000 1.272 451 A HN 0.094 nan 8.150 nan 0.000 0.402 452 V N 4.152 123.824 119.914 -0.403 0.000 2.577 452 V HA 0.551 4.666 4.120 -0.008 0.000 0.303 452 V C -0.787 175.123 176.094 -0.307 0.000 1.042 452 V CA -0.766 61.300 62.300 -0.389 0.000 0.872 452 V CB 1.814 33.264 31.823 -0.622 0.000 0.998 452 V HN 1.026 nan 8.190 nan 0.000 0.423 453 N N 3.043 121.582 118.700 -0.267 0.000 2.262 453 N HA 0.619 5.354 4.740 -0.008 0.000 0.295 453 N C -0.287 175.121 175.510 -0.169 0.000 1.161 453 N CA -0.380 52.556 53.050 -0.191 0.000 0.767 453 N CB 2.859 41.206 38.487 -0.233 0.000 1.499 453 N HN 0.641 nan 8.380 nan 0.000 0.476 454 G N -0.848 107.886 108.800 -0.111 0.000 2.511 454 G HA2 0.428 4.383 3.960 -0.008 0.000 0.316 454 G HA3 0.428 4.383 3.960 -0.008 0.000 0.316 454 G C 0.739 175.699 174.900 0.099 0.000 1.210 454 G CA -0.530 44.544 45.100 -0.044 0.000 0.969 454 G HN 0.626 nan 8.290 nan 0.000 0.492 455 V N -3.487 116.617 119.914 0.317 0.000 3.376 455 V HA 0.691 4.806 4.120 -0.008 0.000 0.313 455 V C 0.564 176.742 176.094 0.141 0.000 1.393 455 V CA 0.308 62.700 62.300 0.153 0.000 1.125 455 V CB -0.812 31.058 31.823 0.078 0.000 1.037 455 V HN 1.317 nan 8.190 nan 0.000 0.440 456 A N -0.063 122.849 122.820 0.153 0.000 2.594 456 A HA 0.630 4.945 4.320 -0.008 0.000 0.296 456 A C 0.692 178.325 177.584 0.082 0.000 1.061 456 A CA -0.124 51.979 52.037 0.110 0.000 0.689 456 A CB 1.222 20.276 19.000 0.090 0.000 1.280 456 A HN 0.037 nan 8.150 nan 0.000 0.406 457 R N 0.978 121.506 120.500 0.046 0.000 2.096 457 R HA -0.173 4.162 4.340 -0.008 0.000 0.240 457 R C 1.655 177.952 176.300 -0.004 0.000 1.139 457 R CA 2.350 58.455 56.100 0.007 0.000 0.952 457 R CB -0.236 30.063 30.300 -0.001 0.000 0.854 457 R HN 0.828 nan 8.270 nan 0.000 0.436 458 I N 0.231 120.808 120.570 0.011 0.000 2.315 458 I HA -0.283 3.882 4.170 -0.008 0.000 0.248 458 I C 2.326 178.452 176.117 0.016 0.000 1.117 458 I CA 1.799 63.098 61.300 -0.001 0.000 1.404 458 I CB -0.220 37.779 38.000 -0.002 0.000 1.071 458 I HN 0.347 nan 8.210 nan 0.000 0.419 459 H N 0.295 119.333 119.070 -0.054 0.000 2.326 459 H HA -0.108 4.443 4.556 -0.008 0.000 0.301 459 H C 2.255 177.540 175.328 -0.072 0.000 1.081 459 H CA 2.169 58.178 56.048 -0.065 0.000 1.334 459 H CB -0.295 29.435 29.762 -0.054 0.000 1.385 459 H HN 0.234 nan 8.280 nan 0.000 0.504 460 S N 0.343 115.917 115.700 -0.210 0.000 2.399 460 S HA -0.120 4.345 4.470 -0.008 0.000 0.231 460 S C 1.872 176.341 174.600 -0.219 0.000 1.022 460 S CA 1.204 59.252 58.200 -0.252 0.000 0.983 460 S CB -0.065 63.063 63.200 -0.119 0.000 0.803 460 S HN 0.482 nan 8.310 nan 0.000 0.480 461 E N 1.127 121.227 120.200 -0.167 0.000 2.107 461 E HA 0.036 4.382 4.350 -0.008 0.000 0.191 461 E C 2.002 178.487 176.600 -0.192 0.000 0.982 461 E CA 0.567 56.862 56.400 -0.176 0.000 0.809 461 E CB -0.318 29.312 29.700 -0.117 0.000 0.756 461 E HN 0.507 nan 8.360 nan 0.000 0.459 462 I N 0.925 121.396 120.570 -0.165 0.000 2.286 462 I HA -0.261 3.904 4.170 -0.008 0.000 0.248 462 I C 2.384 178.373 176.117 -0.213 0.000 1.115 462 I CA 0.731 61.940 61.300 -0.152 0.000 1.392 462 I CB -0.221 37.723 38.000 -0.093 0.000 1.065 462 I HN 0.063 nan 8.210 nan 0.000 0.418 463 L N 0.482 121.530 121.223 -0.292 0.000 2.012 463 L HA -0.239 4.096 4.340 -0.008 0.000 0.210 463 L C 2.507 179.242 176.870 -0.226 0.000 1.073 463 L CA 1.639 56.296 54.840 -0.304 0.000 0.748 463 L CB -0.573 41.345 42.059 -0.235 0.000 0.891 463 L HN 0.200 nan 8.230 nan 0.000 0.431 464 K N -0.057 120.149 120.400 -0.323 0.000 2.217 464 K HA -0.125 4.190 4.320 -0.008 0.000 0.202 464 K C 1.974 178.386 176.600 -0.313 0.000 1.051 464 K CA 0.975 56.953 56.287 -0.514 0.000 0.952 464 K CB 0.043 31.987 32.500 -0.926 0.000 0.736 464 K HN 0.289 nan 8.250 nan 0.000 0.453 465 K N -0.028 120.239 120.400 -0.221 0.000 2.323 465 K HA -0.012 4.303 4.320 -0.008 0.000 0.197 465 K C 1.720 178.270 176.600 -0.083 0.000 1.043 465 K CA 1.183 57.393 56.287 -0.129 0.000 0.997 465 K CB 0.552 32.985 32.500 -0.112 0.000 0.807 465 K HN 0.259 nan 8.250 nan 0.000 0.497 466 T N -1.360 113.136 114.554 -0.098 0.000 2.995 466 T HA 0.068 4.413 4.350 -0.008 0.000 0.170 466 T C 1.842 176.518 174.700 -0.041 0.000 0.844 466 T CA -0.056 62.004 62.100 -0.067 0.000 1.137 466 T CB -0.782 68.037 68.868 -0.081 0.000 2.193 466 T HN 0.098 nan 8.240 nan 0.000 0.384 467 I N -0.796 119.701 120.570 -0.121 0.000 2.399 467 I HA 0.095 4.260 4.170 -0.008 0.000 0.254 467 I C 1.468 177.681 176.117 0.160 0.000 1.146 467 I CA 1.587 62.824 61.300 -0.106 0.000 1.412 467 I CB -0.622 37.155 38.000 -0.372 0.000 1.076 467 I HN 0.310 nan 8.210 nan 0.000 0.432 468 F N 0.622 120.640 119.950 0.114 0.000 2.698 468 F HA 0.295 4.817 4.527 -0.008 0.000 0.304 468 F C 2.043 177.915 175.800 0.120 0.000 1.108 468 F CA -0.674 57.456 58.000 0.217 0.000 1.263 468 F CB 0.195 39.299 39.000 0.172 0.000 1.013 468 F HN -0.062 nan 8.300 nan 0.000 0.532 469 K N 1.130 121.649 120.400 0.199 0.000 2.044 469 K HA -0.221 4.094 4.320 -0.008 0.000 0.210 469 K C 1.340 177.989 176.600 0.081 0.000 1.049 469 K CA 2.218 58.559 56.287 0.090 0.000 0.927 469 K CB -0.022 32.499 32.500 0.034 0.000 0.713 469 K HN 0.146 nan 8.250 nan 0.000 0.443 470 D N -0.154 120.263 120.400 0.027 0.000 2.123 470 D HA -0.162 4.473 4.640 -0.008 0.000 0.196 470 D C 1.834 178.020 176.300 -0.190 0.000 0.992 470 D CA 1.249 55.132 54.000 -0.195 0.000 0.833 470 D CB -0.292 40.287 40.800 -0.369 0.000 0.954 470 D HN 0.243 nan 8.370 nan 0.000 0.455 471 F N -0.097 119.915 119.950 0.105 0.000 2.186 471 F HA -0.147 4.375 4.527 -0.008 0.000 0.299 471 F C 2.348 178.286 175.800 0.230 0.000 1.090 471 F CA 0.522 58.661 58.000 0.233 0.000 1.307 471 F CB -0.699 38.494 39.000 0.323 0.000 1.019 471 F HN -0.029 nan 8.300 nan 0.000 0.489 472 Y N 1.439 121.699 120.300 -0.067 0.000 2.224 472 Y HA -0.190 4.355 4.550 -0.008 0.000 0.289 472 Y C 2.053 177.948 175.900 -0.008 0.000 1.146 472 Y CA 1.594 59.491 58.100 -0.339 0.000 1.182 472 Y CB -0.611 37.479 38.460 -0.618 0.000 0.983 472 Y HN 0.160 nan 8.280 nan 0.000 0.524 473 E N -0.472 119.674 120.200 -0.090 0.000 2.152 473 E HA -0.165 4.180 4.350 -0.008 0.000 0.192 473 E C 1.970 178.628 176.600 0.098 0.000 0.983 473 E CA 1.096 57.452 56.400 -0.073 0.000 0.818 473 E CB -0.230 29.471 29.700 0.002 0.000 0.758 473 E HN 0.429 nan 8.360 nan 0.000 0.467 474 L N 1.024 122.347 121.223 0.166 0.000 2.095 474 L HA -0.036 4.300 4.340 -0.008 0.000 0.204 474 L C 0.267 177.240 176.870 0.170 0.000 1.080 474 L CA 1.658 56.635 54.840 0.229 0.000 0.759 474 L CB 0.384 42.575 42.059 0.219 0.000 0.914 474 L HN -0.110 nan 8.230 nan 0.000 0.439 475 E N 0.088 120.392 120.200 0.173 0.000 3.386 475 E HA 0.184 4.529 4.350 -0.008 0.000 0.236 475 E C -2.008 174.573 176.600 -0.032 0.000 1.227 475 E CA -1.250 55.181 56.400 0.053 0.000 0.970 475 E CB 0.792 30.499 29.700 0.012 0.000 1.343 475 E HN 0.202 nan 8.360 nan 0.000 0.397 476 P HA -0.254 nan 4.420 nan 0.000 0.218 476 P C 1.189 178.601 177.300 0.186 0.000 1.148 476 P CA 1.430 64.482 63.100 -0.080 0.000 0.822 476 P CB -0.015 31.500 31.700 -0.309 0.000 0.784 477 H N 0.327 119.499 119.070 0.171 0.000 2.456 477 H HA 0.042 4.593 4.556 -0.008 0.000 0.296 477 H C 1.522 176.931 175.328 0.134 0.000 1.079 477 H CA 0.866 56.999 56.048 0.142 0.000 1.322 477 H CB -0.814 29.004 29.762 0.093 0.000 1.388 477 H HN 0.171 nan 8.280 nan 0.000 0.538 478 K N 0.336 120.565 120.400 -0.285 0.000 2.155 478 K HA 0.018 4.333 4.320 -0.008 0.000 0.203 478 K C -0.055 176.352 176.600 -0.321 0.000 1.052 478 K CA 0.309 56.419 56.287 -0.295 0.000 0.948 478 K CB 0.026 32.228 32.500 -0.497 0.000 0.728 478 K HN 0.107 nan 8.250 nan 0.000 0.448 479 F N 1.916 121.886 119.950 0.032 0.000 2.438 479 F HA 0.135 4.656 4.527 -0.008 0.000 0.356 479 F C 0.566 176.367 175.800 0.002 0.000 1.099 479 F CA -0.005 58.022 58.000 0.044 0.000 1.185 479 F CB 0.762 39.849 39.000 0.145 0.000 1.115 479 F HN -0.071 nan 8.300 nan 0.000 0.526 480 Q N 1.767 121.591 119.800 0.040 0.000 2.605 480 Q HA 0.377 4.712 4.340 -0.008 0.000 0.296 480 Q C -1.188 174.769 176.000 -0.072 0.000 1.056 480 Q CA -1.295 54.487 55.803 -0.034 0.000 0.778 480 Q CB 3.062 31.725 28.738 -0.125 0.000 1.497 480 Q HN 0.629 nan 8.270 nan 0.000 0.443 481 N N 0.572 119.210 118.700 -0.105 0.000 2.238 481 N HA 0.289 5.024 4.740 -0.008 0.000 0.302 481 N C -1.549 173.859 175.510 -0.169 0.000 1.072 481 N CA -0.412 52.574 53.050 -0.107 0.000 0.792 481 N CB 1.201 39.648 38.487 -0.066 0.000 1.425 481 N HN 0.291 nan 8.380 nan 0.000 0.478 482 K N 2.677 122.980 120.400 -0.161 0.000 2.723 482 K HA 0.188 4.503 4.320 -0.008 0.000 0.229 482 K C -0.971 175.634 176.600 0.008 0.000 1.022 482 K CA -0.472 55.692 56.287 -0.205 0.000 1.045 482 K CB 1.195 33.342 32.500 -0.589 0.000 1.227 482 K HN 0.553 nan 8.250 nan 0.000 0.516 483 T N 2.022 116.597 114.554 0.036 0.000 2.902 483 T HA 0.060 4.405 4.350 -0.008 0.000 0.301 483 T C 0.812 175.637 174.700 0.209 0.000 1.012 483 T CA 0.351 62.524 62.100 0.122 0.000 1.151 483 T CB 0.326 69.264 68.868 0.117 0.000 0.946 483 T HN 0.354 nan 8.240 nan 0.000 0.542 484 N N 0.520 119.369 118.700 0.248 0.000 2.297 484 N HA 0.422 5.157 4.740 -0.008 0.000 0.232 484 N C 0.455 176.153 175.510 0.314 0.000 1.311 484 N CA -0.207 53.025 53.050 0.304 0.000 0.897 484 N CB 0.391 38.998 38.487 0.201 0.000 1.137 484 N HN 0.763 nan 8.380 nan 0.000 0.449 485 G N -0.693 108.300 108.800 0.321 0.000 2.649 485 G HA2 0.575 4.530 3.960 -0.008 0.000 0.290 485 G HA3 0.575 4.530 3.960 -0.008 0.000 0.290 485 G C -1.449 173.587 174.900 0.227 0.000 1.426 485 G CA -0.738 44.536 45.100 0.289 0.000 0.794 485 G HN 0.592 nan 8.290 nan 0.000 0.483 486 I N -2.236 118.452 120.570 0.196 0.000 2.828 486 I HA 0.750 4.915 4.170 -0.008 0.000 0.302 486 I C -0.215 176.063 176.117 0.268 0.000 1.101 486 I CA -0.943 60.468 61.300 0.184 0.000 1.031 486 I CB 2.432 40.430 38.000 -0.004 0.000 1.231 486 I HN 0.505 nan 8.210 nan 0.000 0.427 487 T N 4.432 119.198 114.554 0.352 0.000 2.814 487 T HA 0.331 4.676 4.350 -0.008 0.000 0.297 487 T C -1.335 173.482 174.700 0.196 0.000 0.956 487 T CA -1.558 60.672 62.100 0.215 0.000 1.123 487 T CB 0.735 69.676 68.868 0.121 0.000 0.902 487 T HN 0.646 nan 8.240 nan 0.000 0.528 488 P HA 0.034 nan 4.420 nan 0.000 0.237 488 P C 1.039 178.308 177.300 -0.052 0.000 1.178 488 P CA 0.311 63.448 63.100 0.062 0.000 0.766 488 P CB 0.389 32.110 31.700 0.035 0.000 0.876 489 R N 0.511 120.935 120.500 -0.126 0.000 2.056 489 R HA 0.024 4.359 4.340 -0.008 0.000 0.227 489 R C 2.720 178.901 176.300 -0.199 0.000 1.149 489 R CA 1.506 57.491 56.100 -0.192 0.000 0.937 489 R CB -1.225 28.969 30.300 -0.176 0.000 0.835 489 R HN 0.040 nan 8.270 nan 0.000 0.430 490 R N -0.755 119.566 120.500 -0.299 0.000 2.075 490 R HA -0.114 4.221 4.340 -0.008 0.000 0.232 490 R C 0.989 176.905 176.300 -0.639 0.000 1.126 490 R CA 1.559 57.323 56.100 -0.561 0.000 0.963 490 R CB -0.165 29.619 30.300 -0.860 0.000 0.858 490 R HN 0.290 nan 8.270 nan 0.000 0.435 491 W N -0.036 121.221 121.300 -0.071 0.000 3.405 491 W HA 0.149 4.803 4.660 -0.009 0.000 0.300 491 W C 0.888 177.377 176.519 -0.051 0.000 1.286 491 W CA -0.670 56.631 57.345 -0.073 0.000 1.762 491 W CB 0.387 29.807 29.460 -0.066 0.000 1.087 491 W HN 0.233 nan 8.180 nan 0.000 0.703 492 L N -2.450 118.820 121.223 0.077 0.000 2.604 492 L HA 0.166 4.501 4.340 -0.008 0.000 0.150 492 L C 1.733 178.619 176.870 0.026 0.000 1.292 492 L CA 0.708 55.596 54.840 0.080 0.000 0.977 492 L CB -0.854 41.280 42.059 0.125 0.000 1.943 492 L HN -0.262 nan 8.230 nan 0.000 0.508 493 V N 1.324 121.232 119.914 -0.010 0.000 2.287 493 V HA -0.280 3.835 4.120 -0.008 0.000 0.248 493 V C 2.447 178.514 176.094 -0.044 0.000 1.053 493 V CA 2.547 64.833 62.300 -0.024 0.000 1.027 493 V CB -0.692 31.089 31.823 -0.070 0.000 0.646 493 V HN 0.520 nan 8.190 nan 0.000 0.447 494 L N 0.447 121.614 121.223 -0.095 0.000 2.023 494 L HA -0.177 4.158 4.340 -0.008 0.000 0.205 494 L C 2.498 179.303 176.870 -0.109 0.000 1.073 494 L CA 2.361 57.129 54.840 -0.120 0.000 0.745 494 L CB -0.258 41.680 42.059 -0.202 0.000 0.900 494 L HN 0.656 nan 8.230 nan 0.000 0.435 495 C N -1.732 117.495 119.300 -0.121 0.000 2.563 495 C HA 0.190 4.645 4.460 -0.008 0.000 0.268 495 C C 1.216 176.188 174.990 -0.030 0.000 1.365 495 C CA -0.264 58.703 59.018 -0.085 0.000 1.754 495 C CB -1.030 26.657 27.740 -0.088 0.000 1.932 495 C HN 0.594 nan 8.230 nan 0.000 0.536 496 N N 1.172 119.866 118.700 -0.010 0.000 2.703 496 N HA 0.273 5.008 4.740 -0.008 0.000 0.283 496 N C -1.650 173.873 175.510 0.020 0.000 1.851 496 N CA -1.635 51.422 53.050 0.011 0.000 0.826 496 N CB 0.710 39.212 38.487 0.026 0.000 1.239 496 N HN 0.255 nan 8.380 nan 0.000 0.495 497 P HA -0.080 nan 4.420 nan 0.000 0.216 497 P C 1.413 178.730 177.300 0.028 0.000 1.150 497 P CA 1.030 64.142 63.100 0.020 0.000 0.837 497 P CB 0.211 31.916 31.700 0.008 0.000 0.786 498 G N 0.615 109.426 108.800 0.019 0.000 2.440 498 G HA2 -0.259 3.697 3.960 -0.008 0.000 0.218 498 G HA3 -0.259 3.697 3.960 -0.008 0.000 0.218 498 G C 1.553 176.463 174.900 0.016 0.000 1.154 498 G CA 0.780 45.888 45.100 0.013 0.000 0.767 498 G HN 0.259 nan 8.290 nan 0.000 0.552 499 L N 1.241 122.476 121.223 0.020 0.000 2.072 499 L HA 0.276 4.611 4.340 -0.008 0.000 0.205 499 L C 3.061 179.964 176.870 0.056 0.000 1.079 499 L CA 2.003 56.854 54.840 0.019 0.000 0.752 499 L CB -0.773 41.299 42.059 0.021 0.000 0.906 499 L HN 0.227 nan 8.230 nan 0.000 0.436 500 A N -0.771 122.105 122.820 0.092 0.000 1.940 500 A HA -0.254 4.061 4.320 -0.008 0.000 0.219 500 A C 2.234 179.920 177.584 0.171 0.000 1.176 500 A CA 1.818 53.965 52.037 0.183 0.000 0.631 500 A CB -0.650 18.449 19.000 0.165 0.000 0.814 500 A HN 0.550 nan 8.150 nan 0.000 0.446 501 E N 0.729 120.988 120.200 0.098 0.000 2.028 501 E HA -0.157 4.188 4.350 -0.008 0.000 0.191 501 E C 1.856 178.497 176.600 0.068 0.000 0.988 501 E CA 1.607 58.053 56.400 0.078 0.000 0.799 501 E CB -0.521 29.206 29.700 0.045 0.000 0.755 501 E HN 0.732 nan 8.360 nan 0.000 0.447 502 I N -1.638 118.966 120.570 0.056 0.000 2.454 502 I HA -0.138 4.027 4.170 -0.008 0.000 0.254 502 I C 2.108 178.299 176.117 0.123 0.000 1.156 502 I CA 1.095 62.441 61.300 0.076 0.000 1.433 502 I CB -0.349 37.676 38.000 0.042 0.000 1.082 502 I HN 0.035 nan 8.210 nan 0.000 0.432 503 I N 1.873 122.491 120.570 0.080 0.000 2.233 503 I HA -0.144 4.021 4.170 -0.008 0.000 0.243 503 I C 3.028 179.100 176.117 -0.075 0.000 1.093 503 I CA 1.199 62.475 61.300 -0.040 0.000 1.380 503 I CB -0.446 37.409 38.000 -0.241 0.000 1.067 503 I HN 0.273 nan 8.210 nan 0.000 0.413 504 A N 0.481 123.351 122.820 0.083 0.000 1.940 504 A HA -0.244 4.071 4.320 -0.008 0.000 0.219 504 A C 2.159 179.776 177.584 0.056 0.000 1.176 504 A CA 1.705 53.844 52.037 0.170 0.000 0.631 504 A CB -0.630 18.499 19.000 0.215 0.000 0.814 504 A HN 0.437 nan 8.150 nan 0.000 0.446 505 E N -0.757 119.457 120.200 0.022 0.000 2.118 505 E HA -0.210 4.135 4.350 -0.008 0.000 0.195 505 E C 2.255 178.816 176.600 -0.064 0.000 0.992 505 E CA 1.242 57.637 56.400 -0.008 0.000 0.804 505 E CB -0.050 29.649 29.700 -0.001 0.000 0.741 505 E HN 0.500 nan 8.360 nan 0.000 0.458 506 R N 0.022 120.425 120.500 -0.161 0.000 2.105 506 R HA 0.082 4.417 4.340 -0.008 0.000 0.214 506 R C 2.280 178.496 176.300 -0.139 0.000 1.091 506 R CA 0.833 56.754 56.100 -0.298 0.000 1.007 506 R CB -0.122 29.660 30.300 -0.863 0.000 0.912 506 R HN 0.322 nan 8.270 nan 0.000 0.450 507 I N -2.956 117.555 120.570 -0.098 0.000 4.081 507 I HA 0.438 4.603 4.170 -0.008 0.000 0.333 507 I C 0.359 176.521 176.117 0.074 0.000 1.413 507 I CA 0.006 61.306 61.300 -0.000 0.000 1.110 507 I CB 0.838 38.826 38.000 -0.019 0.000 1.082 507 I HN 0.164 nan 8.210 nan 0.000 0.402 508 G N 2.271 111.125 108.800 0.089 0.000 2.660 508 G HA2 -0.206 3.749 3.960 -0.008 0.000 0.247 508 G HA3 -0.206 3.749 3.960 -0.008 0.000 0.247 508 G C -0.083 174.951 174.900 0.224 0.000 1.328 508 G CA 0.139 45.312 45.100 0.123 0.000 0.884 508 G HN 0.473 nan 8.290 nan 0.000 0.531 509 E N -0.386 119.895 120.200 0.135 0.000 2.476 509 E HA 0.091 4.436 4.350 -0.008 0.000 0.199 509 E C 1.804 178.352 176.600 -0.086 0.000 1.021 509 E CA 0.017 56.435 56.400 0.032 0.000 0.907 509 E CB 0.348 30.056 29.700 0.014 0.000 0.974 509 E HN 0.450 nan 8.360 nan 0.000 0.489 510 E N 0.890 121.112 120.200 0.037 0.000 2.219 510 E HA -0.208 4.137 4.350 -0.008 0.000 0.198 510 E C 1.777 178.370 176.600 -0.012 0.000 0.998 510 E CA 1.119 57.532 56.400 0.023 0.000 0.818 510 E CB -0.103 29.635 29.700 0.063 0.000 0.741 510 E HN 0.549 nan 8.360 nan 0.000 0.477 511 Y N -0.956 119.347 120.300 0.005 0.000 2.333 511 Y HA -0.053 4.493 4.550 -0.007 0.000 0.290 511 Y C 2.034 177.907 175.900 -0.044 0.000 1.144 511 Y CA 0.635 58.729 58.100 -0.010 0.000 1.228 511 Y CB -0.843 37.616 38.460 -0.001 0.000 0.985 511 Y HN -0.084 nan 8.280 nan 0.000 0.542 512 I N 0.984 121.037 120.570 -0.862 0.000 2.423 512 I HA -0.254 3.911 4.170 -0.008 0.000 0.254 512 I C 1.688 177.527 176.117 -0.463 0.000 1.151 512 I CA 1.895 62.751 61.300 -0.740 0.000 1.421 512 I CB -0.394 37.086 38.000 -0.866 0.000 1.079 512 I HN 0.508 nan 8.210 nan 0.000 0.431 513 S N -2.216 113.322 115.700 -0.271 0.000 2.749 513 S HA 0.178 4.643 4.470 -0.008 0.000 0.246 513 S C 0.126 174.701 174.600 -0.042 0.000 1.023 513 S CA -0.502 57.619 58.200 -0.130 0.000 1.012 513 S CB 0.381 63.575 63.200 -0.009 0.000 0.942 513 S HN 0.283 nan 8.310 nan 0.000 0.531 514 D N 0.692 121.077 120.400 -0.026 0.000 2.934 514 D HA 0.226 4.861 4.640 -0.008 0.000 0.249 514 D C 0.369 176.709 176.300 0.067 0.000 1.293 514 D CA -0.370 53.643 54.000 0.021 0.000 0.812 514 D CB 0.411 41.229 40.800 0.031 0.000 1.439 514 D HN 0.101 nan 8.370 nan 0.000 0.555 515 L N 1.232 122.495 121.223 0.066 0.000 2.261 515 L HA -0.037 4.298 4.340 -0.008 0.000 0.216 515 L C 1.457 178.380 176.870 0.089 0.000 1.114 515 L CA 1.607 56.518 54.840 0.119 0.000 0.777 515 L CB -0.092 42.028 42.059 0.102 0.000 0.910 515 L HN 0.279 nan 8.230 nan 0.000 0.440 516 D N -0.790 119.637 120.400 0.045 0.000 2.265 516 D HA -0.217 4.418 4.640 -0.008 0.000 0.208 516 D C 1.922 178.242 176.300 0.034 0.000 0.977 516 D CA 0.823 54.835 54.000 0.020 0.000 0.871 516 D CB 0.046 40.845 40.800 -0.002 0.000 0.925 516 D HN 0.552 nan 8.370 nan 0.000 0.485 517 Q N -0.072 119.767 119.800 0.064 0.000 2.439 517 Q HA -0.034 4.301 4.340 -0.008 0.000 0.211 517 Q C 2.215 178.237 176.000 0.037 0.000 0.978 517 Q CA 0.181 56.023 55.803 0.065 0.000 0.897 517 Q CB 0.052 28.857 28.738 0.112 0.000 0.956 517 Q HN 0.385 nan 8.270 nan 0.000 0.483 518 L N -0.020 121.221 121.223 0.029 0.000 2.353 518 L HA -0.174 4.161 4.340 -0.008 0.000 0.220 518 L C 2.195 179.063 176.870 -0.003 0.000 1.133 518 L CA 0.835 55.660 54.840 -0.026 0.000 0.798 518 L CB -0.284 41.771 42.059 -0.006 0.000 0.922 518 L HN 0.194 nan 8.230 nan 0.000 0.445 519 R N 0.233 120.739 120.500 0.011 0.000 2.159 519 R HA -0.162 4.173 4.340 -0.008 0.000 0.237 519 R C 2.065 178.368 176.300 0.004 0.000 1.131 519 R CA 0.965 57.070 56.100 0.009 0.000 0.982 519 R CB -0.129 30.172 30.300 0.002 0.000 0.868 519 R HN 0.365 nan 8.270 nan 0.000 0.453 520 K N 0.532 120.935 120.400 0.005 0.000 2.360 520 K HA -0.099 4.216 4.320 -0.008 0.000 0.201 520 K C 1.742 178.368 176.600 0.043 0.000 1.046 520 K CA 0.805 57.098 56.287 0.010 0.000 0.945 520 K CB -0.030 32.486 32.500 0.027 0.000 0.750 520 K HN 0.233 nan 8.250 nan 0.000 0.464 521 L N 0.531 121.780 121.223 0.043 0.000 2.465 521 L HA -0.133 4.202 4.340 -0.008 0.000 0.224 521 L C 1.841 178.767 176.870 0.093 0.000 1.145 521 L CA 0.042 54.932 54.840 0.082 0.000 0.834 521 L CB -0.226 41.847 42.059 0.025 0.000 0.944 521 L HN 0.121 nan 8.230 nan 0.000 0.451 522 L N 0.058 121.301 121.223 0.033 0.000 2.131 522 L HA -0.180 4.155 4.340 -0.008 0.000 0.210 522 L C 2.661 179.504 176.870 -0.045 0.000 1.092 522 L CA 1.870 56.717 54.840 0.012 0.000 0.759 522 L CB -0.790 41.265 42.059 -0.006 0.000 0.903 522 L HN 0.344 nan 8.230 nan 0.000 0.435 523 S N -2.762 112.848 115.700 -0.151 0.000 2.660 523 S HA -0.059 4.406 4.470 -0.008 0.000 0.223 523 S C 1.123 175.434 174.600 -0.482 0.000 0.963 523 S CA 0.220 58.231 58.200 -0.315 0.000 0.932 523 S CB -0.501 62.449 63.200 -0.417 0.000 0.775 523 S HN 0.447 nan 8.310 nan 0.000 0.531 524 Y N -0.545 119.687 120.300 -0.113 0.000 2.500 524 Y HA 0.423 4.970 4.550 -0.004 0.000 0.246 524 Y C 1.894 177.831 175.900 0.061 0.000 1.146 524 Y CA -0.708 57.321 58.100 -0.119 0.000 1.230 524 Y CB 0.133 38.303 38.460 -0.483 0.000 1.214 524 Y HN 0.259 nan 8.280 nan 0.000 0.526 525 V N 0.436 120.444 119.914 0.157 0.000 2.720 525 V HA -0.219 3.896 4.120 -0.008 0.000 0.256 525 V C 0.944 177.114 176.094 0.126 0.000 1.082 525 V CA 2.327 64.721 62.300 0.158 0.000 1.101 525 V CB -0.002 31.872 31.823 0.084 0.000 0.693 525 V HN 0.327 nan 8.190 nan 0.000 0.479 526 D N -0.783 119.671 120.400 0.092 0.000 2.398 526 D HA 0.118 4.753 4.640 -0.008 0.000 0.210 526 D C 0.350 176.705 176.300 0.091 0.000 1.094 526 D CA -0.013 54.029 54.000 0.070 0.000 0.839 526 D CB 0.099 40.916 40.800 0.029 0.000 0.963 526 D HN 0.444 nan 8.370 nan 0.000 0.506 527 D N 1.467 121.958 120.400 0.153 0.000 2.338 527 D HA -0.024 4.611 4.640 -0.008 0.000 0.255 527 D C 1.212 177.622 176.300 0.182 0.000 1.237 527 D CA 0.014 54.125 54.000 0.185 0.000 0.883 527 D CB 1.460 42.446 40.800 0.309 0.000 1.087 527 D HN -0.218 nan 8.370 nan 0.000 0.485 528 E N 3.226 123.496 120.200 0.117 0.000 2.085 528 E HA -0.169 4.176 4.350 -0.008 0.000 0.194 528 E C 1.759 178.413 176.600 0.089 0.000 0.994 528 E CA 1.555 58.007 56.400 0.086 0.000 0.801 528 E CB -0.095 29.639 29.700 0.056 0.000 0.743 528 E HN 0.607 nan 8.360 nan 0.000 0.453 529 A N -0.328 122.558 122.820 0.111 0.000 1.877 529 A HA -0.161 4.154 4.320 -0.008 0.000 0.216 529 A C 2.254 179.915 177.584 0.128 0.000 1.186 529 A CA 1.415 53.512 52.037 0.100 0.000 0.620 529 A CB -0.988 18.073 19.000 0.102 0.000 0.822 529 A HN 0.428 nan 8.150 nan 0.000 0.443 530 F N 0.437 120.394 119.950 0.012 0.000 2.102 530 F HA -0.160 4.363 4.527 -0.007 0.000 0.298 530 F C 2.086 177.888 175.800 0.003 0.000 1.105 530 F CA 1.667 59.658 58.000 -0.015 0.000 1.239 530 F CB -0.119 38.877 39.000 -0.006 0.000 0.991 530 F HN 0.165 nan 8.300 nan 0.000 0.474 531 I N 0.158 120.756 120.570 0.047 0.000 2.151 531 I HA -0.373 3.792 4.170 -0.008 0.000 0.243 531 I C 2.573 178.631 176.117 -0.098 0.000 1.080 531 I CA 1.730 63.003 61.300 -0.045 0.000 1.339 531 I CB -0.525 37.499 38.000 0.039 0.000 1.039 531 I HN 0.123 nan 8.210 nan 0.000 0.409 532 R N 0.895 121.363 120.500 -0.052 0.000 2.081 532 R HA -0.184 4.151 4.340 -0.008 0.000 0.235 532 R C 1.918 178.162 176.300 -0.094 0.000 1.131 532 R CA 1.827 57.894 56.100 -0.055 0.000 0.960 532 R CB -0.115 30.172 30.300 -0.021 0.000 0.856 532 R HN 0.304 nan 8.270 nan 0.000 0.436 533 D N -0.356 119.966 120.400 -0.129 0.000 2.117 533 D HA -0.122 4.513 4.640 -0.008 0.000 0.198 533 D C 1.934 178.101 176.300 -0.222 0.000 0.982 533 D CA 1.217 55.126 54.000 -0.152 0.000 0.828 533 D CB -0.172 40.549 40.800 -0.132 0.000 0.967 533 D HN 0.088 nan 8.370 nan 0.000 0.464 534 V N 1.587 121.272 119.914 -0.381 0.000 2.287 534 V HA -0.258 3.857 4.120 -0.008 0.000 0.248 534 V C 2.536 178.535 176.094 -0.159 0.000 1.053 534 V CA 1.942 64.037 62.300 -0.343 0.000 1.027 534 V CB -0.772 30.780 31.823 -0.451 0.000 0.646 534 V HN 0.188 nan 8.190 nan 0.000 0.447 535 A N -0.701 122.045 122.820 -0.123 0.000 1.969 535 A HA -0.225 4.090 4.320 -0.008 0.000 0.218 535 A C 2.346 179.890 177.584 -0.066 0.000 1.169 535 A CA 1.968 53.965 52.037 -0.066 0.000 0.635 535 A CB -0.424 18.541 19.000 -0.059 0.000 0.810 535 A HN 0.526 nan 8.150 nan 0.000 0.445 536 K N -0.224 120.132 120.400 -0.074 0.000 2.057 536 K HA -0.063 4.252 4.320 -0.008 0.000 0.206 536 K C 1.806 178.378 176.600 -0.047 0.000 1.050 536 K CA 1.441 57.694 56.287 -0.056 0.000 0.935 536 K CB -0.218 32.251 32.500 -0.052 0.000 0.715 536 K HN 0.227 nan 8.250 nan 0.000 0.439 537 V N 1.768 121.649 119.914 -0.056 0.000 2.343 537 V HA -0.248 3.867 4.120 -0.008 0.000 0.247 537 V C 2.358 178.438 176.094 -0.023 0.000 1.051 537 V CA 1.978 64.256 62.300 -0.037 0.000 1.036 537 V CB -0.460 31.335 31.823 -0.047 0.000 0.654 537 V HN 0.343 nan 8.190 nan 0.000 0.451 538 K N 0.553 120.937 120.400 -0.026 0.000 2.026 538 K HA -0.228 4.087 4.320 -0.008 0.000 0.208 538 K C 2.176 178.754 176.600 -0.037 0.000 1.048 538 K CA 1.850 58.129 56.287 -0.013 0.000 0.929 538 K CB -0.538 31.967 32.500 0.009 0.000 0.713 538 K HN 0.381 nan 8.250 nan 0.000 0.439 539 Q N 1.054 120.823 119.800 -0.052 0.000 2.096 539 Q HA -0.137 4.198 4.340 -0.008 0.000 0.204 539 Q C 1.712 177.693 176.000 -0.031 0.000 0.982 539 Q CA 2.085 57.849 55.803 -0.066 0.000 0.850 539 Q CB -0.137 28.564 28.738 -0.061 0.000 0.901 539 Q HN 0.530 nan 8.270 nan 0.000 0.422 540 E N -0.510 119.683 120.200 -0.012 0.000 2.077 540 E HA -0.166 4.179 4.350 -0.008 0.000 0.193 540 E C 1.787 178.413 176.600 0.043 0.000 0.989 540 E CA 1.024 57.431 56.400 0.013 0.000 0.800 540 E CB -0.098 29.606 29.700 0.008 0.000 0.746 540 E HN 0.422 nan 8.360 nan 0.000 0.452 541 N N 1.022 119.745 118.700 0.040 0.000 2.120 541 N HA -0.141 4.594 4.740 -0.008 0.000 0.188 541 N C 1.529 177.127 175.510 0.146 0.000 1.024 541 N CA 1.072 54.168 53.050 0.076 0.000 0.852 541 N CB -0.106 38.410 38.487 0.048 0.000 1.003 541 N HN 0.148 nan 8.380 nan 0.000 0.424 542 K N 0.641 121.096 120.400 0.091 0.000 2.057 542 K HA 0.012 4.327 4.320 -0.008 0.000 0.206 542 K C 2.148 178.896 176.600 0.247 0.000 1.050 542 K CA 0.650 57.026 56.287 0.148 0.000 0.935 542 K CB -0.171 32.147 32.500 -0.303 0.000 0.715 542 K HN 0.103 nan 8.250 nan 0.000 0.439 543 L N 1.257 122.556 121.223 0.125 0.000 2.017 543 L HA -0.207 4.128 4.340 -0.008 0.000 0.208 543 L C 2.646 179.612 176.870 0.159 0.000 1.073 543 L CA 1.350 56.264 54.840 0.124 0.000 0.745 543 L CB -0.344 41.754 42.059 0.065 0.000 0.894 543 L HN 0.178 nan 8.230 nan 0.000 0.432 544 K N -0.315 120.184 120.400 0.165 0.000 2.057 544 K HA -0.238 4.077 4.320 -0.008 0.000 0.207 544 K C 2.189 178.945 176.600 0.259 0.000 1.049 544 K CA 1.561 57.955 56.287 0.177 0.000 0.931 544 K CB -0.146 32.445 32.500 0.152 0.000 0.714 544 K HN 0.089 nan 8.250 nan 0.000 0.440 545 F N 1.155 121.203 119.950 0.163 0.000 2.163 545 F HA 0.016 4.538 4.527 -0.008 0.000 0.297 545 F C 2.008 177.954 175.800 0.244 0.000 1.094 545 F CA 1.118 59.230 58.000 0.187 0.000 1.290 545 F CB -0.488 38.621 39.000 0.183 0.000 1.017 545 F HN 0.077 nan 8.300 nan 0.000 0.483 546 A N 0.177 123.144 122.820 0.245 0.000 1.978 546 A HA -0.059 4.256 4.320 -0.008 0.000 0.220 546 A C 2.379 179.990 177.584 0.046 0.000 1.170 546 A CA 1.743 53.860 52.037 0.134 0.000 0.636 546 A CB -1.415 17.736 19.000 0.252 0.000 0.810 546 A HN 0.459 nan 8.150 nan 0.000 0.448 547 A N -1.429 121.438 122.820 0.079 0.000 1.872 547 A HA -0.025 4.290 4.320 -0.008 0.000 0.214 547 A C 2.111 179.715 177.584 0.032 0.000 1.187 547 A CA 1.460 53.528 52.037 0.050 0.000 0.614 547 A CB -0.845 18.197 19.000 0.070 0.000 0.826 547 A HN 0.738 nan 8.150 nan 0.000 0.442 548 Y N 0.759 121.010 120.300 -0.081 0.000 2.207 548 Y HA -0.190 4.355 4.550 -0.008 0.000 0.287 548 Y C 1.836 177.656 175.900 -0.133 0.000 1.156 548 Y CA 1.788 59.828 58.100 -0.100 0.000 1.182 548 Y CB -0.339 38.071 38.460 -0.083 0.000 0.979 548 Y HN 0.210 nan 8.280 nan 0.000 0.521 549 L N 0.015 121.209 121.223 -0.048 0.000 2.191 549 L HA -0.201 4.135 4.340 -0.008 0.000 0.212 549 L C 2.151 179.009 176.870 -0.020 0.000 1.103 549 L CA 1.727 56.541 54.840 -0.043 0.000 0.769 549 L CB -0.404 41.563 42.059 -0.154 0.000 0.908 549 L HN 0.360 nan 8.230 nan 0.000 0.438 550 E N -0.782 119.392 120.200 -0.044 0.000 2.250 550 E HA -0.066 4.279 4.350 -0.008 0.000 0.192 550 E C 2.178 178.729 176.600 -0.081 0.000 0.986 550 E CA 0.098 56.489 56.400 -0.014 0.000 0.849 550 E CB 0.207 29.899 29.700 -0.014 0.000 0.797 550 E HN 0.420 nan 8.360 nan 0.000 0.482 551 R N 1.139 121.543 120.500 -0.160 0.000 2.082 551 R HA -0.122 4.213 4.340 -0.008 0.000 0.228 551 R C 1.926 178.043 176.300 -0.305 0.000 1.140 551 R CA 1.429 57.404 56.100 -0.208 0.000 0.920 551 R CB -0.074 30.090 30.300 -0.227 0.000 0.828 551 R HN -0.028 nan 8.270 nan 0.000 0.430 552 E N -1.263 118.602 120.200 -0.559 0.000 2.371 552 E HA -0.053 4.292 4.350 -0.008 0.000 0.194 552 E C 0.432 176.550 176.600 -0.803 0.000 1.012 552 E CA 0.778 56.734 56.400 -0.741 0.000 0.860 552 E CB 0.402 29.437 29.700 -1.109 0.000 0.811 552 E HN 0.375 nan 8.360 nan 0.000 0.502 553 Y N -0.332 119.859 120.300 -0.181 0.000 2.499 553 Y HA 0.256 4.801 4.550 -0.008 0.000 0.253 553 Y C -0.319 175.560 175.900 -0.035 0.000 1.105 553 Y CA -0.650 57.405 58.100 -0.075 0.000 1.240 553 Y CB 0.760 39.192 38.460 -0.047 0.000 1.289 553 Y HN -0.322 nan 8.280 nan 0.000 0.534 554 K N 1.307 121.749 120.400 0.070 0.000 5.294 554 K HA -0.098 4.217 4.320 -0.008 0.000 0.344 554 K C -1.072 175.599 176.600 0.117 0.000 0.909 554 K CA 0.851 57.193 56.287 0.092 0.000 1.081 554 K CB -1.783 30.759 32.500 0.071 0.000 1.814 554 K HN 0.242 nan 8.250 nan 0.000 0.407 555 V N -1.186 118.817 119.914 0.149 0.000 2.719 555 V HA 0.261 4.376 4.120 -0.008 0.000 0.289 555 V C 0.129 176.329 176.094 0.178 0.000 1.167 555 V CA -1.019 61.338 62.300 0.095 0.000 0.929 555 V CB 1.105 32.949 31.823 0.035 0.000 1.050 555 V HN 0.524 nan 8.190 nan 0.000 0.448 556 H N 5.627 124.694 119.070 -0.006 0.000 2.764 556 H HA 0.744 5.295 4.556 -0.008 0.000 0.341 556 H C 0.103 175.426 175.328 -0.008 0.000 1.072 556 H CA 0.071 56.118 56.048 -0.003 0.000 1.444 556 H CB 1.570 31.334 29.762 0.004 0.000 1.458 556 H HN 0.898 nan 8.280 nan 0.000 0.572 557 I N -0.215 120.434 120.570 0.133 0.000 2.994 557 I HA 0.360 4.525 4.170 -0.008 0.000 0.306 557 I C -0.926 175.269 176.117 0.129 0.000 1.195 557 I CA -1.368 59.985 61.300 0.089 0.000 1.001 557 I CB 2.435 40.454 38.000 0.032 0.000 1.244 557 I HN 0.372 nan 8.210 nan 0.000 0.437 558 N N 4.312 123.097 118.700 0.142 0.000 2.437 558 N HA 0.454 5.189 4.740 -0.008 0.000 0.243 558 N C -2.104 173.550 175.510 0.240 0.000 1.041 558 N CA -2.346 50.795 53.050 0.152 0.000 0.940 558 N CB 1.242 39.792 38.487 0.105 0.000 1.133 558 N HN 0.361 nan 8.380 nan 0.000 0.506 559 P HA -0.027 nan 4.420 nan 0.000 0.228 559 P C -0.011 177.268 177.300 -0.035 0.000 1.151 559 P CA 1.140 64.316 63.100 0.126 0.000 0.770 559 P CB 0.156 31.909 31.700 0.089 0.000 0.786 560 N N -1.325 117.390 118.700 0.026 0.000 2.422 560 N HA 0.007 4.742 4.740 -0.008 0.000 0.181 560 N C 0.466 175.998 175.510 0.037 0.000 1.080 560 N CA -0.119 52.935 53.050 0.007 0.000 0.893 560 N CB 0.085 38.590 38.487 0.029 0.000 0.973 560 N HN 0.186 nan 8.380 nan 0.000 0.456 561 S N 0.336 116.073 115.700 0.062 0.000 2.645 561 S HA 0.210 4.675 4.470 -0.008 0.000 0.266 561 S C 0.005 174.565 174.600 -0.065 0.000 1.258 561 S CA -0.865 57.360 58.200 0.043 0.000 0.990 561 S CB 1.195 64.455 63.200 0.099 0.000 0.967 561 S HN 0.156 nan 8.310 nan 0.000 0.556 562 L N 1.864 122.900 121.223 -0.312 0.000 2.360 562 L HA 0.379 4.714 4.340 -0.008 0.000 0.276 562 L C -0.921 175.925 176.870 -0.040 0.000 1.121 562 L CA -0.574 53.879 54.840 -0.644 0.000 0.845 562 L CB -0.141 41.240 42.059 -1.130 0.000 1.143 562 L HN 0.706 nan 8.230 nan 0.000 0.452 563 F N 4.215 124.030 119.950 -0.225 0.000 2.405 563 F HA 0.106 4.628 4.527 -0.007 0.000 0.358 563 F C 0.389 176.120 175.800 -0.115 0.000 1.151 563 F CA -0.847 57.091 58.000 -0.104 0.000 1.161 563 F CB 0.609 39.599 39.000 -0.016 0.000 1.245 563 F HN 0.521 nan 8.300 nan 0.000 0.545 564 D N 4.948 125.354 120.400 0.010 0.000 2.396 564 D HA 0.254 4.889 4.640 -0.008 0.000 0.225 564 D C -1.031 175.209 176.300 -0.101 0.000 1.121 564 D CA -0.077 53.880 54.000 -0.072 0.000 0.853 564 D CB 1.373 42.115 40.800 -0.096 0.000 1.043 564 D HN 0.273 nan 8.370 nan 0.000 0.500 565 V N 2.630 122.463 119.914 -0.134 0.000 2.735 565 V HA 0.595 4.710 4.120 -0.008 0.000 0.310 565 V C -1.416 174.521 176.094 -0.260 0.000 1.061 565 V CA -0.688 61.514 62.300 -0.163 0.000 0.913 565 V CB 1.930 33.711 31.823 -0.069 0.000 1.005 565 V HN 0.521 nan 8.190 nan 0.000 0.428 566 Q N 4.305 123.968 119.800 -0.229 0.000 2.397 566 Q HA 0.651 4.986 4.340 -0.008 0.000 0.260 566 Q C -1.504 174.325 176.000 -0.286 0.000 1.002 566 Q CA -0.628 55.026 55.803 -0.249 0.000 0.716 566 Q CB 1.881 30.502 28.738 -0.194 0.000 1.258 566 Q HN 1.164 nan 8.270 nan 0.000 0.477 567 V N 1.847 121.573 119.914 -0.313 0.000 2.487 567 V HA 0.865 4.980 4.120 -0.008 0.000 0.298 567 V C -0.832 174.968 176.094 -0.490 0.000 1.028 567 V CA -0.536 61.380 62.300 -0.640 0.000 0.860 567 V CB 1.254 32.440 31.823 -1.062 0.000 0.991 567 V HN 0.813 nan 8.190 nan 0.000 0.427 568 K N 2.506 122.671 120.400 -0.391 0.000 3.040 568 K HA 0.389 4.704 4.320 -0.008 0.000 0.300 568 K C -1.293 175.303 176.600 -0.006 0.000 1.092 568 K CA -1.125 55.117 56.287 -0.074 0.000 0.831 568 K CB 0.906 33.352 32.500 -0.090 0.000 1.469 568 K HN 0.465 nan 8.250 nan 0.000 0.365 569 R N 0.863 121.410 120.500 0.078 0.000 2.698 569 R HA 0.167 4.502 4.340 -0.008 0.000 0.266 569 R C 0.392 176.720 176.300 0.047 0.000 1.026 569 R CA -0.307 55.857 56.100 0.106 0.000 1.102 569 R CB -0.164 30.227 30.300 0.152 0.000 0.978 569 R HN 0.464 nan 8.270 nan 0.000 0.436 570 I N 3.992 124.603 120.570 0.068 0.000 2.452 570 I HA 0.095 4.260 4.170 -0.008 0.000 0.287 570 I C 0.735 176.854 176.117 0.004 0.000 1.079 570 I CA 0.563 61.860 61.300 -0.006 0.000 1.387 570 I CB -0.269 37.712 38.000 -0.031 0.000 1.404 570 I HN 0.366 nan 8.210 nan 0.000 0.522 571 H N 5.181 124.159 119.070 -0.152 0.000 3.079 571 H HA 0.212 4.763 4.556 -0.008 0.000 0.356 571 H C 0.344 175.567 175.328 -0.176 0.000 1.221 571 H CA -0.374 55.633 56.048 -0.067 0.000 1.185 571 H CB 1.752 31.470 29.762 -0.073 0.000 1.882 571 H HN 0.599 nan 8.280 nan 0.000 0.543 572 E N 2.011 122.278 120.200 0.111 0.000 2.110 572 E HA -0.225 4.120 4.350 -0.008 0.000 0.193 572 E C 1.314 177.752 176.600 -0.270 0.000 0.988 572 E CA 1.755 58.196 56.400 0.069 0.000 0.804 572 E CB -0.043 29.856 29.700 0.332 0.000 0.745 572 E HN 0.580 nan 8.360 nan 0.000 0.458 573 Y N 0.790 120.730 120.300 -0.599 0.000 2.352 573 Y HA 0.008 4.553 4.550 -0.008 0.000 0.292 573 Y C 1.518 177.146 175.900 -0.453 0.000 1.136 573 Y CA 0.772 58.185 58.100 -1.145 0.000 1.227 573 Y CB -0.076 37.699 38.460 -1.142 0.000 0.991 573 Y HN -0.213 nan 8.280 nan 0.000 0.545 574 K N 0.779 120.695 120.400 -0.807 0.000 2.432 574 K HA 0.061 4.376 4.320 -0.008 0.000 0.196 574 K C 0.107 176.530 176.600 -0.295 0.000 1.038 574 K CA 0.495 56.428 56.287 -0.589 0.000 0.986 574 K CB -0.049 32.098 32.500 -0.589 0.000 0.782 574 K HN 0.266 nan 8.250 nan 0.000 0.485 575 R N 0.527 120.888 120.500 -0.232 0.000 3.336 575 R HA -0.226 4.109 4.340 -0.008 0.000 0.260 575 R C 0.260 176.484 176.300 -0.127 0.000 1.032 575 R CA 0.175 56.193 56.100 -0.137 0.000 0.693 575 R CB -1.808 28.428 30.300 -0.107 0.000 1.134 575 R HN 0.289 nan 8.270 nan 0.000 0.433 576 Q N 0.322 120.047 119.800 -0.126 0.000 2.226 576 Q HA -0.038 4.297 4.340 -0.008 0.000 0.204 576 Q C 2.023 177.977 176.000 -0.078 0.000 0.975 576 Q CA 1.330 57.071 55.803 -0.104 0.000 0.866 576 Q CB 0.042 28.723 28.738 -0.095 0.000 0.915 576 Q HN 0.585 nan 8.270 nan 0.000 0.440 577 L N -0.606 120.575 121.223 -0.069 0.000 2.083 577 L HA -0.182 4.153 4.340 -0.008 0.000 0.209 577 L C 1.984 178.858 176.870 0.007 0.000 1.083 577 L CA 0.533 55.347 54.840 -0.043 0.000 0.752 577 L CB -0.344 41.700 42.059 -0.025 0.000 0.899 577 L HN 0.311 nan 8.230 nan 0.000 0.433 578 L N 0.033 121.253 121.223 -0.006 0.000 2.046 578 L HA -0.235 4.100 4.340 -0.008 0.000 0.208 578 L C 2.026 178.955 176.870 0.099 0.000 1.077 578 L CA 1.901 56.752 54.840 0.017 0.000 0.747 578 L CB -0.840 41.116 42.059 -0.172 0.000 0.896 578 L HN 0.286 nan 8.230 nan 0.000 0.432 579 N N -1.697 117.026 118.700 0.038 0.000 2.120 579 N HA -0.229 4.506 4.740 -0.008 0.000 0.188 579 N C 1.941 177.533 175.510 0.136 0.000 1.024 579 N CA 1.575 54.723 53.050 0.163 0.000 0.852 579 N CB -0.129 38.382 38.487 0.040 0.000 1.003 579 N HN 0.489 nan 8.380 nan 0.000 0.424 580 C N 0.581 119.897 119.300 0.027 0.000 2.413 580 C HA -0.075 4.380 4.460 -0.008 0.000 0.276 580 C C 2.590 177.572 174.990 -0.015 0.000 1.248 580 C CA 0.382 59.368 59.018 -0.053 0.000 1.742 580 C CB -1.254 26.403 27.740 -0.138 0.000 2.017 580 C HN 0.509 nan 8.230 nan 0.000 0.481 581 L N -0.391 120.887 121.223 0.092 0.000 2.046 581 L HA -0.197 4.138 4.340 -0.008 0.000 0.208 581 L C 2.762 179.780 176.870 0.247 0.000 1.077 581 L CA 1.786 56.727 54.840 0.168 0.000 0.747 581 L CB -1.035 41.198 42.059 0.291 0.000 0.896 581 L HN 0.587 nan 8.230 nan 0.000 0.432 582 H N -0.091 119.087 119.070 0.180 0.000 2.353 582 H HA -0.133 4.418 4.556 -0.008 0.000 0.300 582 H C 2.231 177.546 175.328 -0.022 0.000 1.090 582 H CA 1.850 57.917 56.048 0.033 0.000 1.327 582 H CB 0.346 30.048 29.762 -0.099 0.000 1.383 582 H HN 0.096 nan 8.280 nan 0.000 0.508 583 V N 1.612 121.437 119.914 -0.148 0.000 2.287 583 V HA -0.278 3.837 4.120 -0.008 0.000 0.248 583 V C 2.819 178.835 176.094 -0.129 0.000 1.053 583 V CA 1.908 64.085 62.300 -0.204 0.000 1.027 583 V CB -0.503 31.246 31.823 -0.122 0.000 0.646 583 V HN 0.402 nan 8.190 nan 0.000 0.447 584 I N -0.190 120.338 120.570 -0.070 0.000 2.394 584 I HA -0.207 3.958 4.170 -0.008 0.000 0.251 584 I C 2.480 178.639 176.117 0.071 0.000 1.136 584 I CA 1.606 62.929 61.300 0.038 0.000 1.425 584 I CB -0.672 37.327 38.000 -0.002 0.000 1.079 584 I HN 0.332 nan 8.210 nan 0.000 0.425 585 T N 1.226 115.780 114.554 0.000 0.000 2.708 585 T HA -0.146 4.199 4.350 -0.008 0.000 0.266 585 T C 1.891 176.539 174.700 -0.088 0.000 1.037 585 T CA 1.193 63.289 62.100 -0.007 0.000 1.146 585 T CB -0.251 68.639 68.868 0.037 0.000 0.865 585 T HN 0.086 nan 8.240 nan 0.000 0.435 586 L N 0.141 121.240 121.223 -0.207 0.000 2.042 586 L HA -0.030 4.305 4.340 -0.008 0.000 0.210 586 L C 2.111 178.933 176.870 -0.081 0.000 1.076 586 L CA 1.596 56.312 54.840 -0.207 0.000 0.749 586 L CB -0.943 40.920 42.059 -0.327 0.000 0.893 586 L HN 0.367 nan 8.230 nan 0.000 0.432 587 Y N 0.092 120.319 120.300 -0.121 0.000 2.145 587 Y HA -0.272 4.273 4.550 -0.008 0.000 0.286 587 Y C 2.412 178.283 175.900 -0.048 0.000 1.145 587 Y CA 1.799 59.867 58.100 -0.054 0.000 1.148 587 Y CB -0.103 38.368 38.460 0.018 0.000 0.981 587 Y HN 0.273 nan 8.280 nan 0.000 0.507 588 N N 0.481 119.127 118.700 -0.091 0.000 2.166 588 N HA -0.138 4.597 4.740 -0.008 0.000 0.186 588 N C 1.802 177.194 175.510 -0.197 0.000 1.019 588 N CA 1.442 54.377 53.050 -0.191 0.000 0.856 588 N CB -0.345 38.093 38.487 -0.083 0.000 0.993 588 N HN 0.452 nan 8.380 nan 0.000 0.426 589 R N 0.354 120.765 120.500 -0.149 0.000 2.092 589 R HA 0.093 4.428 4.340 -0.008 0.000 0.231 589 R C 2.184 178.394 176.300 -0.150 0.000 1.119 589 R CA 0.694 56.717 56.100 -0.130 0.000 0.970 589 R CB -0.190 30.045 30.300 -0.109 0.000 0.864 589 R HN 0.244 nan 8.270 nan 0.000 0.440 590 I N 0.905 121.364 120.570 -0.186 0.000 2.252 590 I HA -0.248 3.917 4.170 -0.008 0.000 0.245 590 I C 2.047 178.043 176.117 -0.202 0.000 1.102 590 I CA 1.136 62.328 61.300 -0.180 0.000 1.385 590 I CB -0.167 37.727 38.000 -0.178 0.000 1.064 590 I HN 0.015 nan 8.210 nan 0.000 0.414 591 K N 0.926 121.141 120.400 -0.309 0.000 2.209 591 K HA -0.189 4.126 4.320 -0.008 0.000 0.204 591 K C 1.992 178.491 176.600 -0.168 0.000 1.048 591 K CA 1.111 57.232 56.287 -0.276 0.000 0.940 591 K CB -0.278 31.979 32.500 -0.406 0.000 0.729 591 K HN 0.332 nan 8.250 nan 0.000 0.451 592 K N 1.144 121.451 120.400 -0.153 0.000 2.116 592 K HA -0.070 4.245 4.320 -0.008 0.000 0.203 592 K C 0.005 176.557 176.600 -0.080 0.000 1.052 592 K CA 0.994 57.218 56.287 -0.105 0.000 0.952 592 K CB 0.384 32.826 32.500 -0.097 0.000 0.729 592 K HN 0.063 nan 8.250 nan 0.000 0.446 593 E N 0.200 120.350 120.200 -0.082 0.000 3.374 593 E HA 0.120 4.465 4.350 -0.008 0.000 0.223 593 E C -2.367 174.197 176.600 -0.060 0.000 1.210 593 E CA -1.593 54.772 56.400 -0.059 0.000 0.987 593 E CB 1.731 31.403 29.700 -0.047 0.000 1.322 593 E HN 0.106 nan 8.360 nan 0.000 0.404 594 P HA -0.184 nan 4.420 nan 0.000 0.216 594 P C 0.283 177.567 177.300 -0.028 0.000 1.153 594 P CA 1.330 64.398 63.100 -0.052 0.000 0.858 594 P CB 0.169 31.843 31.700 -0.044 0.000 0.789 595 N N -1.234 117.458 118.700 -0.013 0.000 2.322 595 N HA 0.010 4.745 4.740 -0.008 0.000 0.216 595 N C 0.421 175.948 175.510 0.028 0.000 1.144 595 N CA 0.059 53.115 53.050 0.010 0.000 0.830 595 N CB -0.089 38.404 38.487 0.009 0.000 1.034 595 N HN 0.049 nan 8.380 nan 0.000 0.484 596 K N 1.047 121.457 120.400 0.016 0.000 2.130 596 K HA 0.169 4.484 4.320 -0.008 0.000 0.268 596 K C -0.943 175.695 176.600 0.064 0.000 0.983 596 K CA -0.609 55.702 56.287 0.039 0.000 0.893 596 K CB 0.682 33.184 32.500 0.003 0.000 1.066 596 K HN -0.040 nan 8.250 nan 0.000 0.450 597 F N 4.390 124.326 119.950 -0.023 0.000 2.443 597 F HA 0.260 4.782 4.527 -0.008 0.000 0.353 597 F C -0.421 175.365 175.800 -0.025 0.000 1.101 597 F CA -0.105 57.883 58.000 -0.021 0.000 1.226 597 F CB 0.693 39.684 39.000 -0.016 0.000 1.140 597 F HN 0.195 nan 8.300 nan 0.000 0.557 598 V N 3.949 123.233 119.914 -1.050 0.000 2.888 598 V HA 0.525 4.640 4.120 -0.008 0.000 0.309 598 V C -0.914 174.565 176.094 -1.025 0.000 1.114 598 V CA -1.223 60.620 62.300 -0.761 0.000 0.940 598 V CB 0.897 32.493 31.823 -0.378 0.000 1.021 598 V HN 0.594 nan 8.190 nan 0.000 0.426 599 V N 4.581 124.154 119.914 -0.569 0.000 2.493 599 V HA 0.193 4.308 4.120 -0.008 0.000 0.292 599 V C -1.844 174.086 176.094 -0.273 0.000 1.016 599 V CA -0.410 61.699 62.300 -0.318 0.000 1.097 599 V CB 0.427 32.188 31.823 -0.103 0.000 0.947 599 V HN 0.903 nan 8.190 nan 0.000 0.479 600 P HA 0.285 nan 4.420 nan 0.000 0.268 600 P C -0.369 176.847 177.300 -0.139 0.000 1.204 600 P CA 0.090 63.109 63.100 -0.134 0.000 0.768 600 P CB 0.488 32.160 31.700 -0.046 0.000 0.842 601 R N 1.298 121.728 120.500 -0.117 0.000 2.725 601 R HA 0.580 4.915 4.340 -0.008 0.000 0.277 601 R C -0.844 175.423 176.300 -0.055 0.000 0.987 601 R CA -0.655 55.379 56.100 -0.111 0.000 0.901 601 R CB 2.064 32.280 30.300 -0.141 0.000 1.207 601 R HN 0.270 nan 8.270 nan 0.000 0.463 602 T N 1.915 116.454 114.554 -0.026 0.000 2.864 602 T HA 0.231 4.576 4.350 -0.008 0.000 0.310 602 T C -0.433 174.193 174.700 -0.122 0.000 1.040 602 T CA -0.453 61.599 62.100 -0.080 0.000 0.977 602 T CB 1.124 69.900 68.868 -0.154 0.000 0.976 602 T HN 0.142 nan 8.240 nan 0.000 0.459 603 V N 5.935 125.781 119.914 -0.114 0.000 2.385 603 V HA 0.396 4.511 4.120 -0.008 0.000 0.269 603 V C 0.122 176.139 176.094 -0.128 0.000 1.043 603 V CA -0.316 61.918 62.300 -0.110 0.000 0.906 603 V CB 0.563 32.333 31.823 -0.088 0.000 0.995 603 V HN 0.845 nan 8.190 nan 0.000 0.467 604 M N 6.726 126.238 119.600 -0.147 0.000 2.167 604 M HA 0.601 5.076 4.480 -0.008 0.000 0.333 604 M C -0.941 175.246 176.300 -0.189 0.000 1.030 604 M CA -0.121 55.080 55.300 -0.164 0.000 0.963 604 M CB 1.798 34.300 32.600 -0.164 0.000 1.589 604 M HN 0.426 nan 8.290 nan 0.000 0.431 605 I N 2.000 122.435 120.570 -0.225 0.000 2.498 605 I HA 0.816 4.981 4.170 -0.008 0.000 0.290 605 I C 0.066 175.840 176.117 -0.572 0.000 1.032 605 I CA -0.620 60.516 61.300 -0.273 0.000 1.073 605 I CB 2.308 40.236 38.000 -0.120 0.000 1.251 605 I HN 0.793 nan 8.210 nan 0.000 0.426 606 G N 2.987 111.423 108.800 -0.606 0.000 2.690 606 G HA2 0.834 4.789 3.960 -0.008 0.000 0.293 606 G HA3 0.834 4.789 3.960 -0.008 0.000 0.293 606 G C -1.043 173.567 174.900 -0.483 0.000 1.399 606 G CA -0.738 43.856 45.100 -0.842 0.000 0.890 606 G HN 0.984 nan 8.290 nan 0.000 0.485 607 G N -0.396 108.282 108.800 -0.203 0.000 2.352 607 G HA2 0.415 4.370 3.960 -0.008 0.000 0.305 607 G HA3 0.415 4.370 3.960 -0.008 0.000 0.305 607 G C -1.286 173.762 174.900 0.247 0.000 1.537 607 G CA -1.026 44.123 45.100 0.082 0.000 0.959 607 G HN 0.607 nan 8.290 nan 0.000 0.668 608 K N -0.149 120.390 120.400 0.232 0.000 2.098 608 K HA 0.765 5.080 4.320 -0.008 0.000 0.258 608 K C 0.210 176.963 176.600 0.256 0.000 0.973 608 K CA -0.240 56.203 56.287 0.261 0.000 0.898 608 K CB 2.086 34.643 32.500 0.095 0.000 1.057 608 K HN 0.870 nan 8.250 nan 0.000 0.447 609 A N 1.300 124.304 122.820 0.307 0.000 2.324 609 A HA 0.643 4.958 4.320 -0.008 0.000 0.330 609 A C -0.481 177.295 177.584 0.320 0.000 1.165 609 A CA -0.744 51.417 52.037 0.205 0.000 0.813 609 A CB 1.063 20.098 19.000 0.058 0.000 1.197 609 A HN 0.771 nan 8.150 nan 0.000 0.484 610 A N 3.479 126.477 122.820 0.297 0.000 2.511 610 A HA 0.476 4.791 4.320 -0.008 0.000 0.242 610 A C -1.425 176.257 177.584 0.163 0.000 1.069 610 A CA -0.814 51.397 52.037 0.290 0.000 0.763 610 A CB -0.358 18.789 19.000 0.245 0.000 1.001 610 A HN 0.599 nan 8.150 nan 0.000 0.498 611 P HA -0.151 nan 4.420 nan 0.000 0.217 611 P C 1.287 178.581 177.300 -0.010 0.000 1.151 611 P CA 2.040 65.088 63.100 -0.085 0.000 0.849 611 P CB 0.212 31.804 31.700 -0.180 0.000 0.787 612 G N -3.073 105.745 108.800 0.030 0.000 3.189 612 G HA2 -0.064 3.891 3.960 -0.008 0.000 0.225 612 G HA3 -0.064 3.891 3.960 -0.008 0.000 0.225 612 G C -0.275 174.663 174.900 0.064 0.000 1.159 612 G CA -0.118 45.001 45.100 0.033 0.000 0.763 612 G HN 0.308 nan 8.290 nan 0.000 0.549 613 Y N 1.683 121.928 120.300 -0.092 0.000 2.691 613 Y HA 0.190 4.735 4.550 -0.008 0.000 0.338 613 Y C 1.630 177.506 175.900 -0.039 0.000 1.148 613 Y CA -1.100 56.920 58.100 -0.133 0.000 1.430 613 Y CB 0.144 38.494 38.460 -0.183 0.000 1.303 613 Y HN 0.304 nan 8.280 nan 0.000 0.499 614 H N 4.179 123.353 119.070 0.174 0.000 2.289 614 H HA -0.235 4.316 4.556 -0.008 0.000 0.296 614 H C 1.810 177.150 175.328 0.019 0.000 1.091 614 H CA 2.468 58.564 56.048 0.080 0.000 1.274 614 H CB 0.331 30.140 29.762 0.077 0.000 1.364 614 H HN 0.724 nan 8.280 nan 0.000 0.490 615 M N 1.020 120.613 119.600 -0.011 0.000 2.149 615 M HA -0.087 4.388 4.480 -0.008 0.000 0.261 615 M C 2.535 178.581 176.300 -0.423 0.000 1.064 615 M CA 1.851 57.054 55.300 -0.162 0.000 1.102 615 M CB -0.741 31.891 32.600 0.054 0.000 1.369 615 M HN 0.348 nan 8.290 nan 0.000 0.408 616 A N -0.491 121.824 122.820 -0.843 0.000 1.933 616 A HA -0.180 4.135 4.320 -0.008 0.000 0.218 616 A C 2.200 179.570 177.584 -0.356 0.000 1.175 616 A CA 1.789 53.372 52.037 -0.757 0.000 0.628 616 A CB -0.621 17.726 19.000 -1.089 0.000 0.814 616 A HN 0.581 nan 8.150 nan 0.000 0.444 617 K N -1.118 119.121 120.400 -0.268 0.000 2.148 617 K HA -0.025 4.290 4.320 -0.008 0.000 0.204 617 K C 1.865 178.398 176.600 -0.112 0.000 1.050 617 K CA 1.154 57.370 56.287 -0.118 0.000 0.942 617 K CB -0.190 32.296 32.500 -0.023 0.000 0.724 617 K HN 0.343 nan 8.250 nan 0.000 0.446 618 M N 0.464 119.948 119.600 -0.193 0.000 2.254 618 M HA -0.058 4.417 4.480 -0.008 0.000 0.265 618 M C 2.049 178.280 176.300 -0.115 0.000 1.066 618 M CA 1.321 56.553 55.300 -0.113 0.000 1.123 618 M CB -0.529 31.994 32.600 -0.129 0.000 1.388 618 M HN 0.126 nan 8.290 nan 0.000 0.425 619 I N -0.288 120.179 120.570 -0.173 0.000 2.315 619 I HA -0.278 3.887 4.170 -0.008 0.000 0.248 619 I C 2.255 178.248 176.117 -0.206 0.000 1.117 619 I CA 0.939 62.132 61.300 -0.180 0.000 1.404 619 I CB -0.231 37.661 38.000 -0.179 0.000 1.071 619 I HN 0.167 nan 8.210 nan 0.000 0.419 620 I N 0.677 121.106 120.570 -0.234 0.000 2.226 620 I HA -0.292 3.873 4.170 -0.008 0.000 0.245 620 I C 2.595 178.442 176.117 -0.450 0.000 1.100 620 I CA 1.194 62.269 61.300 -0.375 0.000 1.374 620 I CB -0.292 37.459 38.000 -0.416 0.000 1.057 620 I HN 0.145 nan 8.210 nan 0.000 0.413 621 K N 1.596 121.740 120.400 -0.425 0.000 2.057 621 K HA -0.159 4.156 4.320 -0.008 0.000 0.207 621 K C 2.043 178.482 176.600 -0.268 0.000 1.049 621 K CA 1.501 57.456 56.287 -0.553 0.000 0.931 621 K CB -0.569 31.345 32.500 -0.977 0.000 0.714 621 K HN 0.234 nan 8.250 nan 0.000 0.440 622 L N 0.331 121.425 121.223 -0.214 0.000 2.017 622 L HA -0.164 4.171 4.340 -0.008 0.000 0.208 622 L C 2.178 178.806 176.870 -0.404 0.000 1.073 622 L CA 1.656 56.197 54.840 -0.499 0.000 0.745 622 L CB -0.258 41.428 42.059 -0.622 0.000 0.894 622 L HN 0.268 nan 8.230 nan 0.000 0.432 623 I N -0.230 120.162 120.570 -0.297 0.000 2.179 623 I HA -0.324 3.841 4.170 -0.008 0.000 0.242 623 I C 2.615 178.627 176.117 -0.175 0.000 1.088 623 I CA 1.907 63.085 61.300 -0.204 0.000 1.357 623 I CB -0.627 37.340 38.000 -0.056 0.000 1.051 623 I HN 0.428 nan 8.210 nan 0.000 0.409 624 T N -0.803 113.622 114.554 -0.215 0.000 2.867 624 T HA -0.049 4.296 4.350 -0.008 0.000 0.268 624 T C 1.988 176.618 174.700 -0.116 0.000 1.057 624 T CA 0.902 62.906 62.100 -0.161 0.000 1.136 624 T CB -0.440 68.287 68.868 -0.235 0.000 0.874 624 T HN 0.339 nan 8.240 nan 0.000 0.466 625 A N 1.577 124.322 122.820 -0.124 0.000 1.902 625 A HA 0.136 4.451 4.320 -0.008 0.000 0.217 625 A C 2.382 179.966 177.584 -0.001 0.000 1.181 625 A CA 1.283 53.314 52.037 -0.010 0.000 0.623 625 A CB -0.821 18.263 19.000 0.140 0.000 0.818 625 A HN 0.588 nan 8.150 nan 0.000 0.443 626 I N -0.356 120.104 120.570 -0.185 0.000 2.226 626 I HA -0.192 3.973 4.170 -0.008 0.000 0.245 626 I C 2.691 178.748 176.117 -0.099 0.000 1.100 626 I CA 1.091 62.244 61.300 -0.245 0.000 1.374 626 I CB -0.590 37.150 38.000 -0.433 0.000 1.057 626 I HN 0.400 nan 8.210 nan 0.000 0.413 627 G N 0.411 109.155 108.800 -0.094 0.000 2.418 627 G HA2 -0.252 3.703 3.960 -0.008 0.000 0.217 627 G HA3 -0.252 3.703 3.960 -0.008 0.000 0.217 627 G C 1.241 176.130 174.900 -0.019 0.000 1.158 627 G CA 0.888 45.947 45.100 -0.069 0.000 0.771 627 G HN 0.275 nan 8.290 nan 0.000 0.545 628 D N 0.093 120.521 120.400 0.047 0.000 2.123 628 D HA -0.097 4.538 4.640 -0.008 0.000 0.196 628 D C 2.719 179.146 176.300 0.211 0.000 0.992 628 D CA 0.813 54.910 54.000 0.163 0.000 0.833 628 D CB -0.271 40.578 40.800 0.083 0.000 0.954 628 D HN 0.247 nan 8.370 nan 0.000 0.455 629 V N 0.157 120.125 119.914 0.089 0.000 2.302 629 V HA -0.143 3.972 4.120 -0.008 0.000 0.243 629 V C 2.617 178.682 176.094 -0.049 0.000 1.036 629 V CA 0.791 63.100 62.300 0.015 0.000 1.020 629 V CB -0.380 31.441 31.823 -0.004 0.000 0.657 629 V HN 0.029 nan 8.190 nan 0.000 0.453 630 V N 1.085 120.901 119.914 -0.162 0.000 2.295 630 V HA -0.230 3.885 4.120 -0.008 0.000 0.246 630 V C 2.151 178.206 176.094 -0.066 0.000 1.049 630 V CA 2.129 64.327 62.300 -0.170 0.000 1.024 630 V CB -0.909 30.806 31.823 -0.180 0.000 0.648 630 V HN 0.582 nan 8.190 nan 0.000 0.447 631 N N -0.349 118.254 118.700 -0.162 0.000 2.512 631 N HA -0.092 4.643 4.740 -0.008 0.000 0.183 631 N C 1.189 176.416 175.510 -0.471 0.000 1.073 631 N CA 0.927 53.785 53.050 -0.319 0.000 0.911 631 N CB -0.275 37.950 38.487 -0.437 0.000 0.964 631 N HN 0.697 nan 8.380 nan 0.000 0.447 632 H N -1.439 117.629 119.070 -0.004 0.000 2.784 632 H HA 0.190 4.742 4.556 -0.008 0.000 0.273 632 H C -0.464 174.878 175.328 0.025 0.000 1.112 632 H CA -0.490 55.557 56.048 -0.001 0.000 1.162 632 H CB 0.633 30.383 29.762 -0.020 0.000 1.586 632 H HN -0.007 nan 8.280 nan 0.000 0.548 633 D N 1.740 122.217 120.400 0.128 0.000 2.339 633 D HA 0.036 4.671 4.640 -0.008 0.000 0.241 633 D C -1.639 174.722 176.300 0.102 0.000 1.183 633 D CA -1.992 52.099 54.000 0.152 0.000 0.859 633 D CB 1.617 42.589 40.800 0.287 0.000 1.067 633 D HN 0.089 nan 8.370 nan 0.000 0.484 634 P HA -0.162 nan 4.420 nan 0.000 0.216 634 P C 1.602 178.926 177.300 0.039 0.000 1.153 634 P CA 0.535 63.665 63.100 0.050 0.000 0.858 634 P CB 0.390 32.115 31.700 0.042 0.000 0.789 635 V N -0.690 119.246 119.914 0.038 0.000 2.490 635 V HA -0.183 3.932 4.120 -0.008 0.000 0.250 635 V C 2.399 178.498 176.094 0.008 0.000 1.061 635 V CA 1.600 63.908 62.300 0.013 0.000 1.064 635 V CB -1.052 30.766 31.823 -0.008 0.000 0.670 635 V HN -0.010 nan 8.190 nan 0.000 0.461 636 V N -0.266 119.670 119.914 0.035 0.000 2.453 636 V HA 0.103 4.218 4.120 -0.008 0.000 0.247 636 V C 1.792 177.896 176.094 0.017 0.000 1.048 636 V CA 1.457 63.777 62.300 0.033 0.000 1.049 636 V CB -1.262 30.628 31.823 0.111 0.000 0.672 636 V HN 0.740 nan 8.190 nan 0.000 0.457 637 G N 1.524 110.338 108.800 0.024 0.000 2.574 637 G HA2 -0.400 3.555 3.960 -0.008 0.000 0.286 637 G HA3 -0.400 3.555 3.960 -0.008 0.000 0.286 637 G C 0.221 175.126 174.900 0.009 0.000 1.212 637 G CA 0.575 45.685 45.100 0.017 0.000 0.979 637 G HN 0.743 nan 8.290 nan 0.000 0.557 638 D N -0.215 120.193 120.400 0.012 0.000 2.358 638 D HA 0.309 4.944 4.640 -0.008 0.000 0.224 638 D C 1.845 178.143 176.300 -0.002 0.000 1.123 638 D CA 0.187 54.195 54.000 0.012 0.000 0.833 638 D CB 0.136 40.954 40.800 0.030 0.000 0.946 638 D HN 0.552 nan 8.370 nan 0.000 0.505 639 R N -0.588 119.900 120.500 -0.020 0.000 2.153 639 R HA 0.215 4.550 4.340 -0.008 0.000 0.218 639 R C -0.168 176.093 176.300 -0.065 0.000 1.072 639 R CA 0.331 56.397 56.100 -0.058 0.000 0.990 639 R CB 0.166 30.416 30.300 -0.084 0.000 0.889 639 R HN 0.209 nan 8.270 nan 0.000 0.452 640 L N 0.661 121.862 121.223 -0.038 0.000 2.505 640 L HA 0.398 4.733 4.340 -0.008 0.000 0.266 640 L C -1.642 175.206 176.870 -0.037 0.000 0.954 640 L CA -0.547 54.269 54.840 -0.041 0.000 0.852 640 L CB 1.817 43.862 42.059 -0.023 0.000 1.282 640 L HN -0.192 nan 8.230 nan 0.000 0.403 641 R N 3.834 124.300 120.500 -0.056 0.000 2.628 641 R HA 0.774 5.109 4.340 -0.008 0.000 0.288 641 R C -1.593 174.655 176.300 -0.087 0.000 0.980 641 R CA -0.799 55.258 56.100 -0.073 0.000 0.891 641 R CB 2.347 32.607 30.300 -0.067 0.000 1.188 641 R HN 0.406 nan 8.270 nan 0.000 0.450 642 V N 4.820 124.678 119.914 -0.093 0.000 2.376 642 V HA 0.479 4.594 4.120 -0.008 0.000 0.287 642 V C -0.268 175.781 176.094 -0.075 0.000 1.015 642 V CA -0.674 61.572 62.300 -0.090 0.000 0.834 642 V CB 1.521 33.286 31.823 -0.097 0.000 1.001 642 V HN 0.537 nan 8.190 nan 0.000 0.428 643 I N 4.836 125.361 120.570 -0.074 0.000 2.509 643 I HA 0.465 4.630 4.170 -0.008 0.000 0.293 643 I C -0.714 175.384 176.117 -0.032 0.000 1.020 643 I CA -0.392 60.877 61.300 -0.052 0.000 1.088 643 I CB 2.000 39.950 38.000 -0.084 0.000 1.267 643 I HN 0.557 nan 8.210 nan 0.000 0.430 644 F N 7.169 127.053 119.950 -0.109 0.000 2.361 644 F HA 0.496 5.018 4.527 -0.008 0.000 0.364 644 F C -0.696 175.038 175.800 -0.111 0.000 1.120 644 F CA -0.779 57.157 58.000 -0.106 0.000 1.102 644 F CB 0.632 39.572 39.000 -0.101 0.000 1.183 644 F HN 0.135 nan 8.300 nan 0.000 0.476 645 L N 5.902 126.729 121.223 -0.660 0.000 2.485 645 L HA 0.135 4.470 4.340 -0.008 0.000 0.279 645 L C 0.384 176.991 176.870 -0.437 0.000 1.124 645 L CA 0.230 54.810 54.840 -0.434 0.000 0.888 645 L CB -0.076 41.816 42.059 -0.278 0.000 1.217 645 L HN 0.620 nan 8.230 nan 0.000 0.464 646 E N 3.175 123.246 120.200 -0.214 0.000 2.373 646 E HA -0.026 4.319 4.350 -0.008 0.000 0.267 646 E C 0.539 177.198 176.600 0.098 0.000 1.032 646 E CA -0.177 56.244 56.400 0.036 0.000 0.889 646 E CB 0.282 29.968 29.700 -0.023 0.000 0.984 646 E HN 0.538 nan 8.360 nan 0.000 0.425 647 N N 2.608 121.434 118.700 0.211 0.000 2.725 647 N HA -0.287 4.449 4.740 -0.008 0.000 0.251 647 N C -1.521 174.093 175.510 0.175 0.000 1.031 647 N CA 0.509 53.680 53.050 0.203 0.000 0.720 647 N CB -1.459 37.164 38.487 0.228 0.000 0.930 647 N HN 0.461 nan 8.380 nan 0.000 0.543 648 Y N 1.485 121.801 120.300 0.026 0.000 2.721 648 Y HA 0.157 4.702 4.550 -0.009 0.000 0.329 648 Y C 1.131 177.055 175.900 0.040 0.000 1.211 648 Y CA 0.617 58.717 58.100 -0.000 0.000 1.512 648 Y CB 0.297 38.722 38.460 -0.058 0.000 1.249 648 Y HN 0.388 nan 8.280 nan 0.000 0.549 649 R N 2.439 122.616 120.500 -0.539 0.000 2.762 649 R HA 0.471 4.806 4.340 -0.008 0.000 0.271 649 R C -0.372 175.594 176.300 -0.556 0.000 1.038 649 R CA -0.604 55.256 56.100 -0.399 0.000 0.906 649 R CB 0.332 30.604 30.300 -0.048 0.000 1.259 649 R HN 0.345 nan 8.270 nan 0.000 0.457 650 V N 1.083 120.697 119.914 -0.501 0.000 2.282 650 V HA -0.296 3.819 4.120 -0.008 0.000 0.249 650 V C 2.578 178.550 176.094 -0.203 0.000 1.057 650 V CA 2.833 64.898 62.300 -0.391 0.000 1.032 650 V CB -0.839 30.706 31.823 -0.464 0.000 0.645 650 V HN 0.930 nan 8.190 nan 0.000 0.447 651 S N 0.081 115.690 115.700 -0.150 0.000 2.399 651 S HA -0.182 4.283 4.470 -0.008 0.000 0.231 651 S C 1.913 176.474 174.600 -0.065 0.000 1.022 651 S CA 1.702 59.846 58.200 -0.094 0.000 0.983 651 S CB -0.521 62.658 63.200 -0.035 0.000 0.803 651 S HN 0.405 nan 8.310 nan 0.000 0.480 652 L N 1.826 123.013 121.223 -0.060 0.000 2.179 652 L HA 0.364 4.699 4.340 -0.008 0.000 0.208 652 L C 2.636 179.517 176.870 0.018 0.000 1.096 652 L CA 1.308 56.153 54.840 0.009 0.000 0.779 652 L CB -1.222 40.899 42.059 0.103 0.000 0.922 652 L HN 0.340 nan 8.230 nan 0.000 0.443 653 A N -0.629 122.177 122.820 -0.023 0.000 1.933 653 A HA -0.226 4.089 4.320 -0.008 0.000 0.218 653 A C 2.114 179.758 177.584 0.100 0.000 1.175 653 A CA 1.784 53.885 52.037 0.108 0.000 0.628 653 A CB -0.595 18.451 19.000 0.078 0.000 0.814 653 A HN 0.594 nan 8.150 nan 0.000 0.444 654 E N -0.408 119.831 120.200 0.065 0.000 2.265 654 E HA -0.159 4.186 4.350 -0.008 0.000 0.196 654 E C 1.840 178.407 176.600 -0.055 0.000 0.996 654 E CA 1.158 57.553 56.400 -0.009 0.000 0.832 654 E CB -0.044 29.562 29.700 -0.157 0.000 0.756 654 E HN 0.627 nan 8.360 nan 0.000 0.491 655 K N 0.011 120.360 120.400 -0.084 0.000 2.141 655 K HA 0.033 4.348 4.320 -0.008 0.000 0.202 655 K C 2.149 178.557 176.600 -0.321 0.000 1.045 655 K CA 0.417 56.635 56.287 -0.114 0.000 0.971 655 K CB 0.028 32.467 32.500 -0.101 0.000 0.795 655 K HN -0.049 nan 8.250 nan 0.000 0.459 656 V N 1.902 121.527 119.914 -0.481 0.000 2.488 656 V HA -0.118 3.997 4.120 -0.008 0.000 0.246 656 V C 1.874 177.711 176.094 -0.428 0.000 1.046 656 V CA 1.193 62.978 62.300 -0.858 0.000 1.053 656 V CB -0.169 31.260 31.823 -0.657 0.000 0.679 656 V HN 0.240 nan 8.190 nan 0.000 0.458 657 I N 0.660 121.039 120.570 -0.318 0.000 2.226 657 I HA -0.134 4.031 4.170 -0.008 0.000 0.245 657 I C -0.271 175.726 176.117 -0.200 0.000 1.100 657 I CA 1.638 62.684 61.300 -0.424 0.000 1.374 657 I CB -1.440 36.193 38.000 -0.612 0.000 1.057 657 I HN 0.368 nan 8.210 nan 0.000 0.413 658 P HA -0.100 nan 4.420 nan 0.000 0.222 658 P C 0.977 178.274 177.300 -0.005 0.000 1.147 658 P CA 1.184 64.258 63.100 -0.042 0.000 0.790 658 P CB 0.064 31.748 31.700 -0.026 0.000 0.780 659 A N -1.179 121.619 122.820 -0.036 0.000 2.275 659 A HA 0.465 4.780 4.320 -0.008 0.000 0.212 659 A C 1.163 178.862 177.584 0.193 0.000 1.201 659 A CA 0.098 52.177 52.037 0.070 0.000 0.843 659 A CB -0.668 18.379 19.000 0.077 0.000 0.873 659 A HN 0.189 nan 8.150 nan 0.000 0.492 660 A N -0.164 122.760 122.820 0.173 0.000 2.340 660 A HA 0.481 4.796 4.320 -0.008 0.000 0.268 660 A C 0.354 178.091 177.584 0.255 0.000 1.100 660 A CA -0.116 52.088 52.037 0.279 0.000 0.803 660 A CB 0.364 19.625 19.000 0.434 0.000 1.043 660 A HN 0.270 nan 8.150 nan 0.000 0.488 661 D N 0.242 120.790 120.400 0.246 0.000 2.525 661 D HA 0.138 4.773 4.640 -0.008 0.000 0.248 661 D C -0.006 176.510 176.300 0.359 0.000 1.000 661 D CA 0.639 54.833 54.000 0.323 0.000 0.923 661 D CB 0.303 41.206 40.800 0.171 0.000 1.101 661 D HN 0.360 nan 8.370 nan 0.000 0.493 662 L N 1.185 122.502 121.223 0.157 0.000 2.356 662 L HA 0.310 4.645 4.340 -0.008 0.000 0.277 662 L C -0.801 175.944 176.870 -0.207 0.000 0.996 662 L CA -0.305 54.549 54.840 0.023 0.000 0.822 662 L CB 2.065 44.115 42.059 -0.015 0.000 1.256 662 L HN -0.173 nan 8.230 nan 0.000 0.413 663 S N 4.258 119.748 115.700 -0.351 0.000 2.429 663 S HA 0.326 4.791 4.470 -0.008 0.000 0.302 663 S C -0.408 173.915 174.600 -0.463 0.000 1.115 663 S CA -0.684 57.061 58.200 -0.760 0.000 1.095 663 S CB 0.654 63.361 63.200 -0.823 0.000 0.987 663 S HN 0.553 nan 8.310 nan 0.000 0.474 664 E N 4.150 124.087 120.200 -0.439 0.000 2.089 664 E HA 0.211 4.556 4.350 -0.008 0.000 0.284 664 E C -0.564 175.919 176.600 -0.195 0.000 1.023 664 E CA -0.424 55.844 56.400 -0.220 0.000 0.819 664 E CB 0.982 30.582 29.700 -0.166 0.000 1.076 664 E HN 0.593 nan 8.360 nan 0.000 0.396 665 Q N 2.768 122.509 119.800 -0.099 0.000 2.907 665 Q HA 0.270 4.605 4.340 -0.008 0.000 0.262 665 Q C 0.571 176.557 176.000 -0.023 0.000 0.997 665 Q CA -0.137 55.622 55.803 -0.073 0.000 0.797 665 Q CB 0.260 28.970 28.738 -0.047 0.000 1.228 665 Q HN 0.614 nan 8.270 nan 0.000 0.466 666 I N -1.606 118.936 120.570 -0.047 0.000 3.637 666 I HA 0.283 4.448 4.170 -0.008 0.000 0.342 666 I C 0.382 176.444 176.117 -0.090 0.000 1.545 666 I CA -0.673 60.609 61.300 -0.030 0.000 1.126 666 I CB 0.373 38.356 38.000 -0.029 0.000 1.375 666 I HN -0.002 nan 8.210 nan 0.000 0.467 667 S N 0.296 115.942 115.700 -0.090 0.000 2.579 667 S HA 0.225 4.690 4.470 -0.008 0.000 0.275 667 S C 0.555 175.132 174.600 -0.038 0.000 1.345 667 S CA -0.319 57.844 58.200 -0.063 0.000 1.031 667 S CB 0.479 63.687 63.200 0.013 0.000 0.892 667 S HN 0.385 nan 8.310 nan 0.000 0.529 668 T N 2.631 117.195 114.554 0.017 0.000 2.902 668 T HA 0.399 4.744 4.350 -0.008 0.000 0.301 668 T C 0.744 175.452 174.700 0.013 0.000 1.012 668 T CA 0.206 62.324 62.100 0.031 0.000 1.151 668 T CB 0.071 69.032 68.868 0.154 0.000 0.946 668 T HN 1.010 nan 8.240 nan 0.000 0.542 669 A N 2.641 125.438 122.820 -0.038 0.000 2.580 669 A HA 0.434 4.749 4.320 -0.008 0.000 0.244 669 A C 1.647 179.223 177.584 -0.013 0.000 1.045 669 A CA 0.334 52.346 52.037 -0.043 0.000 0.761 669 A CB -0.956 18.008 19.000 -0.062 0.000 0.962 669 A HN 1.740 nan 8.150 nan 0.000 0.512 670 G N 1.458 110.248 108.800 -0.015 0.000 2.175 670 G HA2 -0.240 3.715 3.960 -0.008 0.000 0.244 670 G HA3 -0.240 3.715 3.960 -0.008 0.000 0.244 670 G C 0.834 175.721 174.900 -0.023 0.000 0.982 670 G CA 1.159 46.252 45.100 -0.012 0.000 0.641 670 G HN 2.014 nan 8.290 nan 0.000 0.527 671 T N -2.690 111.847 114.554 -0.028 0.000 3.018 671 T HA 0.407 4.752 4.350 -0.008 0.000 0.246 671 T C 0.746 175.292 174.700 -0.257 0.000 1.026 671 T CA 1.021 63.038 62.100 -0.138 0.000 1.081 671 T CB 0.551 69.378 68.868 -0.069 0.000 0.970 671 T HN 0.257 nan 8.240 nan 0.000 0.475 672 E N 1.648 121.829 120.200 -0.031 0.000 1.996 672 E HA 0.665 5.010 4.350 -0.008 0.000 0.280 672 E C 1.203 177.753 176.600 -0.085 0.000 1.092 672 E CA 0.057 56.483 56.400 0.044 0.000 0.862 672 E CB 0.680 30.457 29.700 0.129 0.000 1.066 672 E HN 0.355 nan 8.360 nan 0.000 0.396 673 A N 3.379 126.071 122.820 -0.214 0.000 1.915 673 A HA -0.263 4.052 4.320 -0.008 0.000 0.220 673 A C 1.998 179.454 177.584 -0.213 0.000 1.198 673 A CA 2.442 54.219 52.037 -0.432 0.000 0.647 673 A CB -0.316 18.218 19.000 -0.777 0.000 0.825 673 A HN 0.605 nan 8.150 nan 0.000 0.456 674 S N -4.066 111.569 115.700 -0.108 0.000 3.984 674 S HA 0.454 4.920 4.470 -0.008 0.000 0.221 674 S C 0.663 175.251 174.600 -0.020 0.000 1.149 674 S CA 1.388 59.570 58.200 -0.030 0.000 0.950 674 S CB -0.061 63.147 63.200 0.013 0.000 1.216 674 S HN 2.322 nan 8.310 nan 0.000 0.547 675 G N 0.370 109.163 108.800 -0.012 0.000 2.721 675 G HA2 -0.038 3.917 3.960 -0.008 0.000 0.686 675 G HA3 -0.038 3.917 3.960 -0.008 0.000 0.686 675 G C 0.221 175.099 174.900 -0.037 0.000 1.236 675 G CA 0.446 45.535 45.100 -0.019 0.000 0.786 675 G HN 1.294 nan 8.290 nan 0.000 0.616 676 T N -1.703 112.814 114.554 -0.061 0.000 2.992 676 T HA 0.375 4.720 4.350 -0.008 0.000 0.255 676 T C 2.361 176.958 174.700 -0.172 0.000 0.938 676 T CA 1.227 63.263 62.100 -0.107 0.000 0.895 676 T CB 0.350 69.146 68.868 -0.121 0.000 1.221 676 T HN 1.866 nan 8.240 nan 0.000 0.512 677 G N 3.079 111.803 108.800 -0.126 0.000 2.432 677 G HA2 -0.251 3.704 3.960 -0.008 0.000 0.219 677 G HA3 -0.251 3.704 3.960 -0.008 0.000 0.219 677 G C 1.458 176.397 174.900 0.066 0.000 1.135 677 G CA 1.132 46.173 45.100 -0.098 0.000 0.767 677 G HN 0.828 nan 8.290 nan 0.000 0.550 678 N N 0.175 118.899 118.700 0.040 0.000 2.104 678 N HA -0.161 4.574 4.740 -0.008 0.000 0.190 678 N C 2.210 177.724 175.510 0.006 0.000 1.024 678 N CA 1.367 54.447 53.050 0.051 0.000 0.853 678 N CB -0.367 38.103 38.487 -0.029 0.000 1.008 678 N HN 0.340 nan 8.380 nan 0.000 0.424 679 M N 0.809 120.344 119.600 -0.108 0.000 2.175 679 M HA -0.037 4.438 4.480 -0.008 0.000 0.264 679 M C 2.014 178.265 176.300 -0.082 0.000 1.063 679 M CA 1.464 56.683 55.300 -0.134 0.000 1.119 679 M CB -0.097 32.434 32.600 -0.117 0.000 1.377 679 M HN 0.119 nan 8.290 nan 0.000 0.415 680 K N 0.012 120.291 120.400 -0.201 0.000 2.057 680 K HA -0.120 4.195 4.320 -0.008 0.000 0.207 680 K C 1.718 178.196 176.600 -0.203 0.000 1.049 680 K CA 1.401 57.503 56.287 -0.308 0.000 0.931 680 K CB -0.301 31.784 32.500 -0.692 0.000 0.714 680 K HN 0.157 nan 8.250 nan 0.000 0.440 681 F N 1.113 120.996 119.950 -0.112 0.000 2.146 681 F HA -0.111 4.410 4.527 -0.009 0.000 0.298 681 F C 2.569 178.347 175.800 -0.037 0.000 1.096 681 F CA 1.185 59.144 58.000 -0.068 0.000 1.275 681 F CB -0.303 38.645 39.000 -0.087 0.000 1.008 681 F HN -0.010 nan 8.300 nan 0.000 0.480 682 M N -0.493 119.195 119.600 0.148 0.000 2.159 682 M HA -0.186 4.289 4.480 -0.008 0.000 0.263 682 M C 2.029 178.388 176.300 0.099 0.000 1.063 682 M CA 1.533 56.894 55.300 0.102 0.000 1.110 682 M CB -0.196 32.459 32.600 0.092 0.000 1.374 682 M HN 0.260 nan 8.290 nan 0.000 0.411 683 L N 0.671 121.948 121.223 0.090 0.000 2.291 683 L HA -0.037 4.298 4.340 -0.008 0.000 0.214 683 L C 1.243 178.162 176.870 0.082 0.000 1.120 683 L CA 1.507 56.407 54.840 0.100 0.000 0.799 683 L CB -0.546 41.583 42.059 0.116 0.000 0.925 683 L HN 0.333 nan 8.230 nan 0.000 0.446 684 N N -0.138 118.600 118.700 0.064 0.000 2.251 684 N HA 0.174 4.909 4.740 -0.008 0.000 0.217 684 N C 0.826 176.375 175.510 0.066 0.000 1.124 684 N CA 0.777 53.858 53.050 0.052 0.000 0.843 684 N CB 0.562 39.056 38.487 0.012 0.000 1.024 684 N HN 0.394 nan 8.380 nan 0.000 0.501 685 G N 0.512 109.357 108.800 0.076 0.000 2.142 685 G HA2 -0.195 3.760 3.960 -0.008 0.000 0.225 685 G HA3 -0.195 3.760 3.960 -0.008 0.000 0.225 685 G C -0.033 174.942 174.900 0.126 0.000 1.015 685 G CA 0.130 45.278 45.100 0.080 0.000 0.716 685 G HN 0.520 nan 8.290 nan 0.000 0.508 686 A N -0.308 122.595 122.820 0.138 0.000 2.325 686 A HA 0.888 5.203 4.320 -0.008 0.000 0.333 686 A C 0.334 177.931 177.584 0.021 0.000 1.155 686 A CA -0.647 51.490 52.037 0.167 0.000 0.814 686 A CB 1.116 20.278 19.000 0.270 0.000 1.206 686 A HN 0.687 nan 8.150 nan 0.000 0.482 687 L N 0.802 122.000 121.223 -0.043 0.000 2.399 687 L HA 0.473 4.808 4.340 -0.008 0.000 0.265 687 L C 0.166 176.902 176.870 -0.223 0.000 1.089 687 L CA -0.365 54.340 54.840 -0.226 0.000 0.802 687 L CB 1.628 43.459 42.059 -0.381 0.000 1.180 687 L HN 0.703 nan 8.230 nan 0.000 0.454 688 T N 2.651 116.935 114.554 -0.451 0.000 2.797 688 T HA 0.475 4.820 4.350 -0.008 0.000 0.279 688 T C -0.475 174.067 174.700 -0.264 0.000 0.991 688 T CA -0.271 61.539 62.100 -0.482 0.000 0.979 688 T CB 1.641 70.013 68.868 -0.828 0.000 0.943 688 T HN 0.362 nan 8.240 nan 0.000 0.444 689 I N 2.830 123.354 120.570 -0.077 0.000 2.355 689 I HA 0.730 4.895 4.170 -0.008 0.000 0.288 689 I C 0.022 176.280 176.117 0.235 0.000 0.999 689 I CA 0.046 61.422 61.300 0.127 0.000 1.163 689 I CB 0.363 38.372 38.000 0.016 0.000 1.316 689 I HN 0.793 nan 8.210 nan 0.000 0.454 690 G N 3.948 112.972 108.800 0.374 0.000 2.559 690 G HA2 0.461 4.416 3.960 -0.008 0.000 0.291 690 G HA3 0.461 4.416 3.960 -0.008 0.000 0.291 690 G C -0.964 173.887 174.900 -0.081 0.000 1.424 690 G CA -0.387 44.857 45.100 0.240 0.000 0.786 690 G HN 0.570 nan 8.290 nan 0.000 0.485 691 T N -1.485 112.893 114.554 -0.294 0.000 2.902 691 T HA 0.527 4.872 4.350 -0.008 0.000 0.280 691 T C 0.685 175.276 174.700 -0.181 0.000 0.992 691 T CA -0.710 61.131 62.100 -0.431 0.000 1.015 691 T CB 1.224 69.847 68.868 -0.408 0.000 1.044 691 T HN 0.260 nan 8.240 nan 0.000 0.520 692 M N 2.906 122.407 119.600 -0.165 0.000 3.436 692 M HA 0.319 4.794 4.480 -0.008 0.000 0.240 692 M C -0.454 175.795 176.300 -0.085 0.000 1.469 692 M CA -0.044 55.195 55.300 -0.102 0.000 1.622 692 M CB -1.745 30.801 32.600 -0.089 0.000 1.098 692 M HN 0.729 nan 8.290 nan 0.000 0.568 693 D N -0.063 120.294 120.400 -0.072 0.000 2.601 693 D HA 0.683 5.318 4.640 -0.008 0.000 0.230 693 D C 0.739 177.017 176.300 -0.036 0.000 1.106 693 D CA 0.678 54.648 54.000 -0.050 0.000 0.873 693 D CB 1.761 42.532 40.800 -0.048 0.000 1.515 693 D HN 0.593 nan 8.370 nan 0.000 0.468 694 G N 1.546 110.332 108.800 -0.022 0.000 2.627 694 G HA2 -0.266 3.689 3.960 -0.008 0.000 0.312 694 G HA3 -0.266 3.689 3.960 -0.008 0.000 0.312 694 G C 1.055 175.947 174.900 -0.013 0.000 1.299 694 G CA 1.179 46.270 45.100 -0.015 0.000 0.989 694 G HN 1.043 nan 8.290 nan 0.000 0.547 695 A N -0.406 122.403 122.820 -0.019 0.000 2.168 695 A HA 0.057 4.372 4.320 -0.008 0.000 0.215 695 A C 2.129 179.648 177.584 -0.108 0.000 1.152 695 A CA 1.934 53.954 52.037 -0.029 0.000 0.716 695 A CB -0.471 18.501 19.000 -0.048 0.000 0.794 695 A HN 0.625 nan 8.150 nan 0.000 0.465 696 N N 0.477 119.123 118.700 -0.090 0.000 2.137 696 N HA -0.152 4.583 4.740 -0.008 0.000 0.190 696 N C 1.589 176.980 175.510 -0.199 0.000 1.017 696 N CA 1.613 54.606 53.050 -0.095 0.000 0.859 696 N CB -0.607 37.877 38.487 -0.005 0.000 1.002 696 N HN 0.295 nan 8.380 nan 0.000 0.428 697 V N 1.228 121.067 119.914 -0.126 0.000 2.332 697 V HA -0.213 3.902 4.120 -0.008 0.000 0.248 697 V C 1.948 177.966 176.094 -0.126 0.000 1.055 697 V CA 1.691 63.914 62.300 -0.128 0.000 1.038 697 V CB -0.498 31.284 31.823 -0.069 0.000 0.651 697 V HN 0.360 nan 8.190 nan 0.000 0.450 698 E N -0.552 119.626 120.200 -0.038 0.000 2.152 698 E HA -0.121 4.224 4.350 -0.008 0.000 0.192 698 E C 2.217 178.905 176.600 0.148 0.000 0.983 698 E CA 1.022 57.472 56.400 0.083 0.000 0.818 698 E CB -0.184 29.653 29.700 0.229 0.000 0.758 698 E HN 0.546 nan 8.360 nan 0.000 0.467 699 M N 0.536 120.099 119.600 -0.062 0.000 2.086 699 M HA -0.135 4.340 4.480 -0.008 0.000 0.261 699 M C 2.510 178.522 176.300 -0.480 0.000 1.067 699 M CA 1.539 56.714 55.300 -0.208 0.000 1.116 699 M CB -0.205 32.142 32.600 -0.422 0.000 1.348 699 M HN 0.133 nan 8.290 nan 0.000 0.407 700 A N -0.115 122.148 122.820 -0.929 0.000 1.933 700 A HA -0.213 4.102 4.320 -0.008 0.000 0.218 700 A C 1.996 179.362 177.584 -0.363 0.000 1.175 700 A CA 1.931 53.383 52.037 -0.974 0.000 0.628 700 A CB -0.785 17.717 19.000 -0.830 0.000 0.814 700 A HN 0.587 nan 8.150 nan 0.000 0.444 701 E N -0.428 119.637 120.200 -0.225 0.000 2.072 701 E HA -0.205 4.140 4.350 -0.008 0.000 0.191 701 E C 1.773 178.336 176.600 -0.062 0.000 0.985 701 E CA 1.201 57.536 56.400 -0.108 0.000 0.801 701 E CB -0.056 29.603 29.700 -0.068 0.000 0.750 701 E HN 0.546 nan 8.360 nan 0.000 0.452 702 E N 0.103 120.291 120.200 -0.020 0.000 2.072 702 E HA -0.122 4.223 4.350 -0.008 0.000 0.190 702 E C 1.852 178.464 176.600 0.021 0.000 0.982 702 E CA 1.131 57.544 56.400 0.022 0.000 0.803 702 E CB -0.163 29.604 29.700 0.112 0.000 0.755 702 E HN 0.355 nan 8.360 nan 0.000 0.453 703 A N 0.351 123.183 122.820 0.019 0.000 2.072 703 A HA 0.333 4.648 4.320 -0.008 0.000 0.216 703 A C 1.046 178.636 177.584 0.011 0.000 1.156 703 A CA 1.110 53.176 52.037 0.047 0.000 0.701 703 A CB 0.027 19.110 19.000 0.139 0.000 0.816 703 A HN 0.253 nan 8.150 nan 0.000 0.458 704 G N -0.541 108.238 108.800 -0.035 0.000 3.067 704 G HA2 -0.077 3.878 3.960 -0.008 0.000 0.686 704 G HA3 -0.077 3.878 3.960 -0.008 0.000 0.686 704 G C -0.051 174.824 174.900 -0.042 0.000 1.119 704 G CA -0.016 45.060 45.100 -0.039 0.000 0.790 704 G HN 0.245 nan 8.290 nan 0.000 0.605 705 E N 0.954 121.120 120.200 -0.057 0.000 2.209 705 E HA -0.174 4.171 4.350 -0.008 0.000 0.196 705 E C 1.974 178.556 176.600 -0.030 0.000 0.993 705 E CA 1.743 58.119 56.400 -0.040 0.000 0.819 705 E CB 0.074 29.750 29.700 -0.040 0.000 0.745 705 E HN 0.765 nan 8.360 nan 0.000 0.477 706 E N 0.693 120.863 120.200 -0.050 0.000 2.338 706 E HA -0.082 4.263 4.350 -0.008 0.000 0.197 706 E C 0.947 177.455 176.600 -0.154 0.000 1.007 706 E CA 0.598 56.947 56.400 -0.085 0.000 0.849 706 E CB -0.021 29.643 29.700 -0.060 0.000 0.774 706 E HN 0.161 nan 8.360 nan 0.000 0.506 707 N N -0.359 118.279 118.700 -0.103 0.000 2.251 707 N HA 0.144 4.879 4.740 -0.008 0.000 0.217 707 N C -0.947 174.480 175.510 -0.138 0.000 1.124 707 N CA 0.076 53.039 53.050 -0.146 0.000 0.843 707 N CB 0.399 38.860 38.487 -0.043 0.000 1.024 707 N HN 0.049 nan 8.380 nan 0.000 0.501 708 F N -0.401 119.318 119.950 -0.387 0.000 2.588 708 F HA 0.414 4.935 4.527 -0.009 0.000 0.314 708 F C -0.781 174.767 175.800 -0.420 0.000 1.069 708 F CA -1.124 56.683 58.000 -0.321 0.000 0.931 708 F CB 1.331 40.246 39.000 -0.143 0.000 1.260 708 F HN -0.222 nan 8.300 nan 0.000 0.465 709 F N 4.895 124.835 119.950 -0.016 0.000 2.359 709 F HA 0.420 4.943 4.527 -0.008 0.000 0.355 709 F C -0.407 175.515 175.800 0.204 0.000 1.132 709 F CA -0.555 57.476 58.000 0.053 0.000 1.246 709 F CB -0.118 38.856 39.000 -0.044 0.000 1.569 709 F HN 0.025 nan 8.300 nan 0.000 0.561 710 I N 3.595 124.365 120.570 0.333 0.000 2.472 710 I HA 0.411 4.576 4.170 -0.008 0.000 0.290 710 I C -0.085 176.224 176.117 0.319 0.000 1.016 710 I CA -0.452 61.014 61.300 0.276 0.000 1.348 710 I CB 0.494 38.578 38.000 0.140 0.000 1.417 710 I HN 0.338 nan 8.210 nan 0.000 0.521 711 F N 2.578 122.591 119.950 0.105 0.000 2.779 711 F HA 0.903 5.425 4.527 -0.009 0.000 0.316 711 F C 0.039 175.878 175.800 0.064 0.000 1.164 711 F CA -0.663 57.389 58.000 0.088 0.000 0.924 711 F CB 0.714 39.778 39.000 0.108 0.000 1.348 711 F HN 0.900 nan 8.300 nan 0.000 0.467 712 G N 0.884 109.712 108.800 0.047 0.000 2.828 712 G HA2 -0.077 3.878 3.960 -0.008 0.000 0.463 712 G HA3 -0.077 3.878 3.960 -0.008 0.000 0.463 712 G C -0.843 174.011 174.900 -0.076 0.000 1.394 712 G CA -0.539 44.519 45.100 -0.070 0.000 0.862 712 G HN 0.955 nan 8.290 nan 0.000 0.540 713 M N 0.672 120.243 119.600 -0.049 0.000 2.248 713 M HA 0.308 4.783 4.480 -0.008 0.000 0.337 713 M C 1.140 177.401 176.300 -0.065 0.000 1.121 713 M CA 0.014 55.297 55.300 -0.027 0.000 1.155 713 M CB 0.370 32.965 32.600 -0.007 0.000 1.514 713 M HN 0.517 nan 8.290 nan 0.000 0.452 714 R N 1.283 121.760 120.500 -0.039 0.000 2.607 714 R HA 0.324 4.659 4.340 -0.008 0.000 0.261 714 R C 1.198 177.478 176.300 -0.034 0.000 1.051 714 R CA -0.624 55.449 56.100 -0.046 0.000 1.110 714 R CB 0.172 30.453 30.300 -0.032 0.000 1.158 714 R HN 0.577 nan 8.270 nan 0.000 0.543 715 V N 1.566 121.460 119.914 -0.034 0.000 2.317 715 V HA -0.292 3.823 4.120 -0.008 0.000 0.251 715 V C 1.838 177.921 176.094 -0.017 0.000 1.065 715 V CA 2.096 64.380 62.300 -0.026 0.000 1.049 715 V CB -0.460 31.347 31.823 -0.028 0.000 0.651 715 V HN 0.636 nan 8.190 nan 0.000 0.450 716 E N 0.115 120.307 120.200 -0.014 0.000 2.110 716 E HA -0.189 4.156 4.350 -0.008 0.000 0.193 716 E C 1.976 178.580 176.600 0.006 0.000 0.988 716 E CA 1.425 57.822 56.400 -0.005 0.000 0.804 716 E CB -0.389 29.309 29.700 -0.004 0.000 0.745 716 E HN 0.637 nan 8.360 nan 0.000 0.458 717 D N -0.134 120.270 120.400 0.008 0.000 2.144 717 D HA -0.100 4.535 4.640 -0.008 0.000 0.200 717 D C 1.981 178.296 176.300 0.026 0.000 0.978 717 D CA 0.875 54.890 54.000 0.025 0.000 0.833 717 D CB -0.037 40.781 40.800 0.029 0.000 0.961 717 D HN 0.066 nan 8.370 nan 0.000 0.470 718 V N 1.950 121.867 119.914 0.005 0.000 2.343 718 V HA -0.209 3.906 4.120 -0.008 0.000 0.247 718 V C 2.013 178.109 176.094 0.003 0.000 1.051 718 V CA 1.658 63.954 62.300 -0.007 0.000 1.036 718 V CB -0.381 31.428 31.823 -0.022 0.000 0.654 718 V HN 0.053 nan 8.190 nan 0.000 0.451 719 D N -0.229 120.173 120.400 0.004 0.000 2.117 719 D HA -0.152 4.483 4.640 -0.008 0.000 0.197 719 D C 2.396 178.710 176.300 0.023 0.000 0.987 719 D CA 1.192 55.197 54.000 0.007 0.000 0.829 719 D CB -0.232 40.568 40.800 0.001 0.000 0.961 719 D HN 0.335 nan 8.370 nan 0.000 0.460 720 R N 0.193 120.711 120.500 0.030 0.000 2.091 720 R HA -0.055 4.280 4.340 -0.008 0.000 0.238 720 R C 2.535 178.872 176.300 0.063 0.000 1.136 720 R CA 0.606 56.731 56.100 0.043 0.000 0.959 720 R CB -0.367 29.960 30.300 0.046 0.000 0.856 720 R HN 0.191 nan 8.270 nan 0.000 0.437 721 L N 0.524 121.794 121.223 0.078 0.000 2.083 721 L HA -0.215 4.120 4.340 -0.008 0.000 0.209 721 L C 1.553 178.493 176.870 0.115 0.000 1.083 721 L CA 1.304 56.218 54.840 0.123 0.000 0.752 721 L CB -0.270 41.876 42.059 0.145 0.000 0.899 721 L HN 0.255 nan 8.230 nan 0.000 0.433 722 D N -0.646 119.796 120.400 0.069 0.000 2.144 722 D HA -0.182 4.453 4.640 -0.008 0.000 0.200 722 D C 2.215 178.549 176.300 0.056 0.000 0.978 722 D CA 1.008 55.043 54.000 0.058 0.000 0.833 722 D CB -0.015 40.798 40.800 0.022 0.000 0.961 722 D HN 0.447 nan 8.370 nan 0.000 0.470 723 Q N 0.159 119.987 119.800 0.047 0.000 2.124 723 Q HA -0.106 4.229 4.340 -0.008 0.000 0.202 723 Q C 2.230 178.259 176.000 0.048 0.000 0.977 723 Q CA 0.864 56.691 55.803 0.040 0.000 0.850 723 Q CB 0.027 28.785 28.738 0.032 0.000 0.901 723 Q HN 0.156 nan 8.270 nan 0.000 0.429 724 R N -0.107 120.429 120.500 0.061 0.000 2.119 724 R HA 0.022 4.357 4.340 -0.008 0.000 0.222 724 R C -0.120 176.224 176.300 0.073 0.000 1.088 724 R CA 0.930 57.068 56.100 0.064 0.000 0.984 724 R CB 0.313 30.657 30.300 0.073 0.000 0.884 724 R HN 0.266 nan 8.270 nan 0.000 0.447 725 G N 0.115 108.974 108.800 0.098 0.000 3.444 725 G HA2 -0.242 3.713 3.960 -0.008 0.000 0.685 725 G HA3 -0.242 3.713 3.960 -0.008 0.000 0.685 725 G C -1.417 173.583 174.900 0.166 0.000 1.145 725 G CA -0.419 44.748 45.100 0.111 0.000 0.973 725 G HN 0.264 nan 8.290 nan 0.000 0.525 726 Y N 3.836 124.174 120.300 0.063 0.000 2.436 726 Y HA 0.539 5.084 4.550 -0.008 0.000 0.336 726 Y C 0.381 176.341 175.900 0.101 0.000 1.049 726 Y CA -0.848 57.307 58.100 0.093 0.000 1.294 726 Y CB 0.906 39.400 38.460 0.056 0.000 1.179 726 Y HN 0.564 nan 8.280 nan 0.000 0.520 727 N N 5.298 123.774 118.700 -0.374 0.000 2.626 727 N HA 0.261 4.996 4.740 -0.008 0.000 0.249 727 N C 0.171 175.439 175.510 -0.403 0.000 1.021 727 N CA 0.347 53.198 53.050 -0.331 0.000 0.886 727 N CB 1.496 39.919 38.487 -0.106 0.000 1.149 727 N HN 0.875 nan 8.380 nan 0.000 0.517 728 A N 2.963 125.432 122.820 -0.585 0.000 1.978 728 A HA -0.222 4.093 4.320 -0.008 0.000 0.220 728 A C 1.932 179.646 177.584 0.217 0.000 1.170 728 A CA 1.473 53.412 52.037 -0.163 0.000 0.636 728 A CB -0.340 18.494 19.000 -0.276 0.000 0.810 728 A HN 0.740 nan 8.150 nan 0.000 0.448 729 Q N 0.275 120.096 119.800 0.036 0.000 2.152 729 Q HA -0.244 4.091 4.340 -0.008 0.000 0.206 729 Q C 1.884 177.961 176.000 0.128 0.000 0.985 729 Q CA 2.360 58.200 55.803 0.062 0.000 0.863 729 Q CB -0.378 28.352 28.738 -0.014 0.000 0.904 729 Q HN 0.783 nan 8.270 nan 0.000 0.422 730 E N -1.399 118.828 120.200 0.045 0.000 2.058 730 E HA -0.245 4.101 4.350 -0.008 0.000 0.194 730 E C 1.579 178.127 176.600 -0.088 0.000 0.997 730 E CA 1.512 57.871 56.400 -0.069 0.000 0.801 730 E CB -0.253 29.317 29.700 -0.217 0.000 0.746 730 E HN 0.596 nan 8.360 nan 0.000 0.450 731 Y N -1.069 119.296 120.300 0.110 0.000 2.242 731 Y HA -0.200 4.345 4.550 -0.008 0.000 0.291 731 Y C 2.207 178.102 175.900 -0.007 0.000 1.137 731 Y CA 1.499 59.648 58.100 0.083 0.000 1.181 731 Y CB -0.668 37.889 38.460 0.162 0.000 0.989 731 Y HN 0.249 nan 8.280 nan 0.000 0.527 732 Y N 1.263 121.586 120.300 0.038 0.000 2.224 732 Y HA -0.247 4.298 4.550 -0.008 0.000 0.289 732 Y C 1.751 177.613 175.900 -0.062 0.000 1.146 732 Y CA 1.787 59.832 58.100 -0.091 0.000 1.182 732 Y CB -0.350 38.106 38.460 -0.005 0.000 0.983 732 Y HN 0.083 nan 8.280 nan 0.000 0.524 733 D N -0.324 120.188 120.400 0.187 0.000 2.183 733 D HA -0.075 4.560 4.640 -0.008 0.000 0.203 733 D C 1.788 178.073 176.300 -0.025 0.000 0.969 733 D CA 1.037 55.087 54.000 0.084 0.000 0.842 733 D CB -0.082 40.776 40.800 0.097 0.000 0.957 733 D HN 0.486 nan 8.370 nan 0.000 0.484 734 R N -0.031 120.448 120.500 -0.035 0.000 2.312 734 R HA 0.271 4.606 4.340 -0.008 0.000 0.205 734 R C 0.428 176.704 176.300 -0.040 0.000 0.904 734 R CA 0.098 56.173 56.100 -0.042 0.000 1.052 734 R CB 1.080 31.349 30.300 -0.051 0.000 1.014 734 R HN 0.150 nan 8.270 nan 0.000 0.503 735 I N 2.108 122.634 120.570 -0.072 0.000 2.464 735 I HA 0.221 4.386 4.170 -0.008 0.000 0.277 735 I C -1.949 174.071 176.117 -0.162 0.000 1.040 735 I CA -2.357 58.902 61.300 -0.068 0.000 1.153 735 I CB 2.191 40.183 38.000 -0.014 0.000 1.274 735 I HN -0.298 nan 8.210 nan 0.000 0.469 736 P HA -0.202 nan 4.420 nan 0.000 0.216 736 P C 1.188 178.388 177.300 -0.166 0.000 1.157 736 P CA 1.532 64.540 63.100 -0.154 0.000 0.880 736 P CB 0.290 31.934 31.700 -0.093 0.000 0.791 737 E N -1.148 118.992 120.200 -0.099 0.000 2.110 737 E HA -0.176 4.169 4.350 -0.008 0.000 0.193 737 E C 1.887 178.380 176.600 -0.178 0.000 0.988 737 E CA 0.724 57.078 56.400 -0.076 0.000 0.804 737 E CB -0.606 29.122 29.700 0.046 0.000 0.745 737 E HN 0.121 nan 8.360 nan 0.000 0.458 738 L N 1.287 122.317 121.223 -0.321 0.000 2.027 738 L HA -0.129 4.206 4.340 -0.008 0.000 0.206 738 L C 2.368 178.948 176.870 -0.484 0.000 1.074 738 L CA 1.655 56.132 54.840 -0.606 0.000 0.745 738 L CB -0.346 41.215 42.059 -0.829 0.000 0.898 738 L HN -0.088 nan 8.230 nan 0.000 0.433 739 R N -0.729 119.455 120.500 -0.527 0.000 2.091 739 R HA -0.256 4.079 4.340 -0.008 0.000 0.238 739 R C 2.387 178.485 176.300 -0.337 0.000 1.136 739 R CA 2.064 57.747 56.100 -0.696 0.000 0.959 739 R CB -0.372 29.451 30.300 -0.795 0.000 0.856 739 R HN 0.652 nan 8.270 nan 0.000 0.437 740 Q N 0.436 120.089 119.800 -0.245 0.000 2.084 740 Q HA -0.179 4.157 4.340 -0.008 0.000 0.202 740 Q C 2.064 177.999 176.000 -0.109 0.000 0.978 740 Q CA 1.874 57.586 55.803 -0.153 0.000 0.844 740 Q CB -0.109 28.546 28.738 -0.138 0.000 0.898 740 Q HN 0.483 nan 8.270 nan 0.000 0.426 741 I N 0.635 121.137 120.570 -0.114 0.000 2.179 741 I HA -0.280 3.885 4.170 -0.008 0.000 0.242 741 I C 2.162 178.293 176.117 0.024 0.000 1.088 741 I CA 0.661 61.937 61.300 -0.041 0.000 1.357 741 I CB -0.308 37.644 38.000 -0.080 0.000 1.051 741 I HN 0.306 nan 8.210 nan 0.000 0.409 742 I N 0.882 121.462 120.570 0.018 0.000 2.226 742 I HA -0.251 3.914 4.170 -0.008 0.000 0.245 742 I C 2.460 178.671 176.117 0.157 0.000 1.100 742 I CA 1.711 63.095 61.300 0.140 0.000 1.374 742 I CB -1.272 36.901 38.000 0.289 0.000 1.057 742 I HN 0.364 nan 8.210 nan 0.000 0.413 743 E N 0.325 120.595 120.200 0.117 0.000 2.150 743 E HA -0.223 4.122 4.350 -0.008 0.000 0.193 743 E C 2.141 178.800 176.600 0.097 0.000 0.985 743 E CA 0.837 57.302 56.400 0.108 0.000 0.814 743 E CB -0.112 29.625 29.700 0.061 0.000 0.752 743 E HN 0.608 nan 8.360 nan 0.000 0.466 744 Q N 0.487 120.327 119.800 0.065 0.000 2.079 744 Q HA -0.105 4.230 4.340 -0.008 0.000 0.200 744 Q C 2.372 178.531 176.000 0.264 0.000 0.974 744 Q CA 0.918 56.764 55.803 0.073 0.000 0.840 744 Q CB -0.026 28.651 28.738 -0.101 0.000 0.898 744 Q HN 0.294 nan 8.270 nan 0.000 0.430 745 L N 0.005 121.403 121.223 0.292 0.000 2.017 745 L HA -0.187 4.148 4.340 -0.008 0.000 0.208 745 L C 2.442 179.495 176.870 0.306 0.000 1.073 745 L CA 1.038 56.081 54.840 0.339 0.000 0.745 745 L CB -0.388 41.792 42.059 0.202 0.000 0.894 745 L HN 0.145 nan 8.230 nan 0.000 0.432 746 S N -0.240 115.593 115.700 0.222 0.000 2.383 746 S HA -0.153 4.312 4.470 -0.008 0.000 0.227 746 S C 2.092 176.790 174.600 0.164 0.000 1.026 746 S CA 1.508 59.818 58.200 0.183 0.000 0.981 746 S CB -0.256 63.032 63.200 0.148 0.000 0.818 746 S HN 0.605 nan 8.310 nan 0.000 0.472 747 S N 0.493 116.290 115.700 0.162 0.000 2.522 747 S HA 0.291 4.756 4.470 -0.008 0.000 0.227 747 S C 1.501 176.186 174.600 0.141 0.000 0.986 747 S CA 0.753 59.033 58.200 0.135 0.000 0.929 747 S CB -0.174 63.099 63.200 0.122 0.000 0.769 747 S HN 0.836 nan 8.310 nan 0.000 0.529 748 G N 0.528 109.445 108.800 0.195 0.000 2.144 748 G HA2 -0.283 3.672 3.960 -0.008 0.000 0.218 748 G HA3 -0.283 3.672 3.960 -0.008 0.000 0.218 748 G C 0.222 175.211 174.900 0.147 0.000 0.988 748 G CA 0.107 45.312 45.100 0.176 0.000 0.659 748 G HN 0.524 nan 8.290 nan 0.000 0.522 749 F N 0.489 120.432 119.950 -0.011 0.000 2.192 749 F HA 0.137 4.659 4.527 -0.008 0.000 0.301 749 F C 1.793 177.394 175.800 -0.332 0.000 1.079 749 F CA 2.021 59.891 58.000 -0.215 0.000 1.303 749 F CB -0.079 38.702 39.000 -0.365 0.000 1.024 749 F HN 0.166 nan 8.300 nan 0.000 0.494 750 F N -0.260 119.842 119.950 0.253 0.000 2.693 750 F HA 0.211 4.733 4.527 -0.008 0.000 0.303 750 F C 0.664 176.575 175.800 0.185 0.000 1.097 750 F CA 0.294 58.395 58.000 0.168 0.000 1.330 750 F CB -0.154 38.956 39.000 0.183 0.000 1.067 750 F HN -0.001 nan 8.300 nan 0.000 0.565 751 S N -2.176 113.669 115.700 0.240 0.000 2.605 751 S HA 0.306 4.771 4.470 -0.008 0.000 0.142 751 S C -2.446 172.171 174.600 0.029 0.000 1.452 751 S CA -0.987 57.283 58.200 0.118 0.000 1.240 751 S CB 0.799 64.030 63.200 0.052 0.000 1.538 751 S HN -0.180 nan 8.310 nan 0.000 0.394 752 P HA -0.172 nan 4.420 nan 0.000 0.215 752 P C 1.281 178.567 177.300 -0.023 0.000 1.163 752 P CA 1.588 64.661 63.100 -0.045 0.000 0.894 752 P CB 0.079 31.728 31.700 -0.084 0.000 0.791 753 K N -1.096 119.291 120.400 -0.021 0.000 2.211 753 K HA -0.084 4.231 4.320 -0.008 0.000 0.203 753 K C 0.689 177.284 176.600 -0.009 0.000 1.050 753 K CA 0.985 57.264 56.287 -0.014 0.000 0.945 753 K CB -0.143 32.351 32.500 -0.010 0.000 0.732 753 K HN 0.361 nan 8.250 nan 0.000 0.451 754 Q N -0.352 119.441 119.800 -0.013 0.000 2.907 754 Q HA 0.150 4.485 4.340 -0.008 0.000 0.262 754 Q C -2.344 173.643 176.000 -0.020 0.000 0.997 754 Q CA -1.598 54.192 55.803 -0.020 0.000 0.797 754 Q CB 1.572 30.289 28.738 -0.035 0.000 1.228 754 Q HN -0.083 nan 8.270 nan 0.000 0.466 755 P HA -0.244 nan 4.420 nan 0.000 0.217 755 P C 0.591 177.924 177.300 0.054 0.000 1.151 755 P CA 1.556 64.680 63.100 0.040 0.000 0.849 755 P CB 0.194 31.917 31.700 0.038 0.000 0.787 756 D N -1.421 118.996 120.400 0.028 0.000 2.427 756 D HA 0.005 4.640 4.640 -0.008 0.000 0.224 756 D C 1.501 177.798 176.300 -0.005 0.000 1.157 756 D CA -0.286 53.739 54.000 0.041 0.000 0.828 756 D CB -0.627 40.199 40.800 0.044 0.000 0.974 756 D HN 0.038 nan 8.370 nan 0.000 0.498 757 L N -0.168 120.986 121.223 -0.116 0.000 2.079 757 L HA -0.024 4.311 4.340 -0.008 0.000 0.210 757 L C 1.042 177.689 176.870 -0.373 0.000 1.081 757 L CA 1.658 56.310 54.840 -0.312 0.000 0.752 757 L CB -0.586 41.105 42.059 -0.614 0.000 0.896 757 L HN -0.007 nan 8.230 nan 0.000 0.433 758 F N -0.468 119.537 119.950 0.093 0.000 2.668 758 F HA 0.150 4.672 4.527 -0.008 0.000 0.297 758 F C 1.843 177.696 175.800 0.088 0.000 1.124 758 F CA -0.183 57.863 58.000 0.076 0.000 1.353 758 F CB -0.312 38.722 39.000 0.057 0.000 0.992 758 F HN 0.101 nan 8.300 nan 0.000 0.524 759 K N -0.257 120.261 120.400 0.197 0.000 2.097 759 K HA -0.181 4.134 4.320 -0.008 0.000 0.206 759 K C 0.931 177.633 176.600 0.170 0.000 1.049 759 K CA 1.952 58.337 56.287 0.164 0.000 0.933 759 K CB -0.259 32.313 32.500 0.120 0.000 0.717 759 K HN 0.109 nan 8.250 nan 0.000 0.442 760 D N 1.348 121.863 120.400 0.192 0.000 2.144 760 D HA -0.088 4.547 4.640 -0.008 0.000 0.199 760 D C 2.099 178.512 176.300 0.189 0.000 0.984 760 D CA 1.124 55.251 54.000 0.211 0.000 0.834 760 D CB -0.109 40.859 40.800 0.280 0.000 0.955 760 D HN 0.322 nan 8.370 nan 0.000 0.465 761 I N 0.618 121.300 120.570 0.187 0.000 2.202 761 I HA -0.214 3.951 4.170 -0.008 0.000 0.242 761 I C 2.465 178.628 176.117 0.076 0.000 1.091 761 I CA 0.644 62.019 61.300 0.125 0.000 1.368 761 I CB -0.230 37.840 38.000 0.117 0.000 1.058 761 I HN -0.119 nan 8.210 nan 0.000 0.410 762 V N 1.225 121.201 119.914 0.104 0.000 2.343 762 V HA -0.294 3.821 4.120 -0.008 0.000 0.247 762 V C 2.246 178.329 176.094 -0.019 0.000 1.051 762 V CA 2.330 64.670 62.300 0.067 0.000 1.036 762 V CB -0.974 30.916 31.823 0.111 0.000 0.654 762 V HN 0.476 nan 8.190 nan 0.000 0.451 763 N N -0.097 118.619 118.700 0.027 0.000 2.120 763 N HA -0.202 4.533 4.740 -0.008 0.000 0.188 763 N C 1.830 177.190 175.510 -0.250 0.000 1.024 763 N CA 1.769 54.826 53.050 0.010 0.000 0.852 763 N CB -0.288 38.294 38.487 0.157 0.000 1.003 763 N HN 0.337 nan 8.380 nan 0.000 0.424 764 M N -0.239 119.261 119.600 -0.167 0.000 2.067 764 M HA -0.096 4.379 4.480 -0.008 0.000 0.260 764 M C 1.511 177.621 176.300 -0.317 0.000 1.069 764 M CA 1.260 56.394 55.300 -0.276 0.000 1.117 764 M CB -0.696 31.957 32.600 0.088 0.000 1.334 764 M HN 0.212 nan 8.290 nan 0.000 0.407 765 L N 0.821 121.897 121.223 -0.246 0.000 2.042 765 L HA -0.219 4.116 4.340 -0.008 0.000 0.210 765 L C 2.442 178.961 176.870 -0.586 0.000 1.076 765 L CA 1.727 56.320 54.840 -0.412 0.000 0.749 765 L CB -0.931 40.940 42.059 -0.313 0.000 0.893 765 L HN 0.350 nan 8.230 nan 0.000 0.432 766 M N -2.141 117.167 119.600 -0.486 0.000 2.334 766 M HA -0.044 4.431 4.480 -0.008 0.000 0.266 766 M C 1.738 177.578 176.300 -0.767 0.000 1.082 766 M CA 1.306 56.239 55.300 -0.611 0.000 1.141 766 M CB -0.729 31.433 32.600 -0.729 0.000 1.380 766 M HN 0.331 nan 8.290 nan 0.000 0.440 767 H N -1.713 117.165 119.070 -0.320 0.000 3.205 767 H HA 0.200 4.751 4.556 -0.008 0.000 0.252 767 H C 0.015 175.242 175.328 -0.168 0.000 1.015 767 H CA 0.584 56.484 56.048 -0.248 0.000 1.192 767 H CB 0.317 29.976 29.762 -0.171 0.000 1.474 767 H HN 0.543 nan 8.280 nan 0.000 0.484 768 H N -1.225 117.898 119.070 0.087 0.000 2.823 768 H HA 0.263 4.814 4.556 -0.008 0.000 0.222 768 H C -1.214 174.134 175.328 0.034 0.000 1.414 768 H CA -0.672 55.417 56.048 0.069 0.000 1.289 768 H CB -0.076 29.729 29.762 0.072 0.000 1.970 768 H HN -0.111 nan 8.280 nan 0.000 0.517 769 D N 1.347 121.777 120.400 0.050 0.000 2.411 769 D HA 0.152 4.787 4.640 -0.008 0.000 0.225 769 D C 0.849 177.098 176.300 -0.085 0.000 1.156 769 D CA -0.501 53.504 54.000 0.009 0.000 0.874 769 D CB 0.748 41.523 40.800 -0.041 0.000 1.034 769 D HN 0.460 nan 8.370 nan 0.000 0.502 770 R N 2.322 122.674 120.500 -0.247 0.000 2.237 770 R HA -0.029 4.306 4.340 -0.008 0.000 0.219 770 R C 0.538 176.329 176.300 -0.848 0.000 1.080 770 R CA 0.814 56.564 56.100 -0.584 0.000 0.995 770 R CB 0.095 29.877 30.300 -0.864 0.000 0.875 770 R HN 0.406 nan 8.270 nan 0.000 0.462 771 F N 0.531 120.447 119.950 -0.057 0.000 2.654 771 F HA 0.257 4.779 4.527 -0.008 0.000 0.303 771 F C 0.049 175.726 175.800 -0.205 0.000 1.099 771 F CA -0.757 57.192 58.000 -0.086 0.000 1.270 771 F CB 0.111 39.123 39.000 0.021 0.000 1.024 771 F HN -0.249 nan 8.300 nan 0.000 0.548 772 K N -0.300 119.893 120.400 -0.344 0.000 3.311 772 K HA -0.189 4.126 4.320 -0.008 0.000 0.270 772 K C 1.042 177.521 176.600 -0.202 0.000 0.927 772 K CA 0.170 56.084 56.287 -0.622 0.000 0.706 772 K CB -1.738 30.302 32.500 -0.767 0.000 1.418 772 K HN 0.219 nan 8.250 nan 0.000 0.459 773 V N 0.079 119.954 119.914 -0.065 0.000 2.287 773 V HA -0.290 3.825 4.120 -0.008 0.000 0.248 773 V C 1.970 178.202 176.094 0.231 0.000 1.053 773 V CA 2.273 64.615 62.300 0.070 0.000 1.027 773 V CB -0.502 31.364 31.823 0.071 0.000 0.646 773 V HN 0.522 nan 8.190 nan 0.000 0.447 774 F N 0.272 120.224 119.950 0.003 0.000 2.161 774 F HA -0.213 4.309 4.527 -0.008 0.000 0.300 774 F C 2.557 178.149 175.800 -0.346 0.000 1.089 774 F CA 0.686 58.633 58.000 -0.088 0.000 1.282 774 F CB -0.435 38.522 39.000 -0.073 0.000 1.010 774 F HN 0.205 nan 8.300 nan 0.000 0.485 775 A N -0.382 122.262 122.820 -0.293 0.000 1.978 775 A HA -0.217 4.098 4.320 -0.008 0.000 0.220 775 A C 1.465 179.046 177.584 -0.005 0.000 1.170 775 A CA 2.038 53.833 52.037 -0.403 0.000 0.636 775 A CB -0.490 18.409 19.000 -0.169 0.000 0.810 775 A HN 0.258 nan 8.150 nan 0.000 0.448 776 D N -2.955 117.502 120.400 0.095 0.000 2.398 776 D HA 0.101 4.736 4.640 -0.008 0.000 0.210 776 D C 1.123 177.596 176.300 0.289 0.000 1.094 776 D CA -0.083 54.048 54.000 0.218 0.000 0.839 776 D CB -0.114 40.822 40.800 0.226 0.000 0.963 776 D HN 0.592 nan 8.370 nan 0.000 0.506 777 Y N 2.109 122.500 120.300 0.153 0.000 2.070 777 Y HA -0.235 4.310 4.550 -0.008 0.000 0.280 777 Y C 2.137 178.130 175.900 0.155 0.000 1.148 777 Y CA 1.925 60.125 58.100 0.167 0.000 1.125 777 Y CB 0.178 38.701 38.460 0.106 0.000 0.975 777 Y HN -0.109 nan 8.280 nan 0.000 0.492 778 E N -0.053 120.224 120.200 0.128 0.000 2.038 778 E HA -0.282 4.063 4.350 -0.008 0.000 0.195 778 E C 2.241 178.816 176.600 -0.042 0.000 1.000 778 E CA 1.649 58.050 56.400 0.001 0.000 0.803 778 E CB -0.217 29.585 29.700 0.170 0.000 0.750 778 E HN 0.610 nan 8.360 nan 0.000 0.448 779 E N -0.444 119.811 120.200 0.092 0.000 2.153 779 E HA -0.205 4.140 4.350 -0.008 0.000 0.194 779 E C 1.895 178.504 176.600 0.015 0.000 0.988 779 E CA 0.701 57.177 56.400 0.126 0.000 0.811 779 E CB -0.069 29.794 29.700 0.273 0.000 0.746 779 E HN 0.251 nan 8.360 nan 0.000 0.466 780 Y N 0.784 120.919 120.300 -0.276 0.000 2.114 780 Y HA -0.221 4.324 4.550 -0.008 0.000 0.284 780 Y C 2.055 177.555 175.900 -0.667 0.000 1.143 780 Y CA 1.136 58.734 58.100 -0.837 0.000 1.135 780 Y CB -0.559 37.475 38.460 -0.710 0.000 0.980 780 Y HN -0.174 nan 8.280 nan 0.000 0.499 781 V N 0.463 120.014 119.914 -0.604 0.000 2.332 781 V HA -0.310 3.805 4.120 -0.008 0.000 0.248 781 V C 2.356 178.208 176.094 -0.404 0.000 1.055 781 V CA 2.340 64.292 62.300 -0.579 0.000 1.038 781 V CB -0.675 30.841 31.823 -0.512 0.000 0.651 781 V HN 0.203 nan 8.190 nan 0.000 0.450 782 K N -0.522 119.713 120.400 -0.275 0.000 2.057 782 K HA -0.173 4.142 4.320 -0.008 0.000 0.207 782 K C 2.250 178.749 176.600 -0.169 0.000 1.049 782 K CA 1.823 58.014 56.287 -0.159 0.000 0.931 782 K CB -1.025 31.433 32.500 -0.069 0.000 0.714 782 K HN 0.545 nan 8.250 nan 0.000 0.440 783 C N 0.768 119.941 119.300 -0.213 0.000 2.429 783 C HA -0.089 4.367 4.460 -0.008 0.000 0.277 783 C C 2.445 177.236 174.990 -0.330 0.000 1.262 783 C CA 0.736 59.653 59.018 -0.169 0.000 1.733 783 C CB -0.704 26.955 27.740 -0.135 0.000 2.010 783 C HN 0.470 nan 8.230 nan 0.000 0.483 784 Q N 0.428 119.891 119.800 -0.562 0.000 2.226 784 Q HA -0.167 4.168 4.340 -0.008 0.000 0.204 784 Q C 1.999 177.785 176.000 -0.356 0.000 0.975 784 Q CA 1.577 57.004 55.803 -0.625 0.000 0.866 784 Q CB -0.375 27.734 28.738 -1.049 0.000 0.915 784 Q HN 0.764 nan 8.270 nan 0.000 0.440 785 E N 0.084 120.136 120.200 -0.247 0.000 2.106 785 E HA -0.115 4.230 4.350 -0.008 0.000 0.192 785 E C 2.040 178.585 176.600 -0.092 0.000 0.984 785 E CA 0.448 56.767 56.400 -0.135 0.000 0.806 785 E CB -0.006 29.638 29.700 -0.095 0.000 0.750 785 E HN 0.246 nan 8.360 nan 0.000 0.458 786 R N 0.463 120.912 120.500 -0.084 0.000 2.148 786 R HA -0.060 4.275 4.340 -0.008 0.000 0.227 786 R C 2.356 178.637 176.300 -0.033 0.000 1.103 786 R CA 0.638 56.753 56.100 0.026 0.000 0.983 786 R CB -0.099 30.288 30.300 0.145 0.000 0.874 786 R HN 0.055 nan 8.270 nan 0.000 0.451 787 V N 0.316 120.019 119.914 -0.352 0.000 2.307 787 V HA -0.219 3.896 4.120 -0.008 0.000 0.245 787 V C 2.109 178.184 176.094 -0.031 0.000 1.045 787 V CA 1.909 63.906 62.300 -0.504 0.000 1.024 787 V CB -0.303 31.121 31.823 -0.666 0.000 0.651 787 V HN 0.271 nan 8.190 nan 0.000 0.449 788 S N 0.217 115.868 115.700 -0.082 0.000 2.382 788 S HA -0.151 4.314 4.470 -0.008 0.000 0.228 788 S C 2.196 176.848 174.600 0.087 0.000 1.027 788 S CA 1.329 59.517 58.200 -0.019 0.000 0.991 788 S CB -0.460 62.696 63.200 -0.073 0.000 0.823 788 S HN 0.643 nan 8.310 nan 0.000 0.469 789 A N 1.425 124.296 122.820 0.086 0.000 1.877 789 A HA 0.015 4.330 4.320 -0.008 0.000 0.216 789 A C 2.084 179.781 177.584 0.187 0.000 1.186 789 A CA 1.055 53.165 52.037 0.122 0.000 0.620 789 A CB -0.699 18.363 19.000 0.103 0.000 0.822 789 A HN 0.459 nan 8.150 nan 0.000 0.443 790 L N -2.032 119.361 121.223 0.283 0.000 2.141 790 L HA -0.139 4.196 4.340 -0.008 0.000 0.209 790 L C 2.444 179.601 176.870 0.478 0.000 1.094 790 L CA 1.627 56.711 54.840 0.408 0.000 0.763 790 L CB -0.385 42.016 42.059 0.570 0.000 0.908 790 L HN 0.595 nan 8.230 nan 0.000 0.437 791 Y N 0.961 121.407 120.300 0.244 0.000 2.333 791 Y HA -0.247 4.299 4.550 -0.007 0.000 0.290 791 Y C 2.361 178.194 175.900 -0.113 0.000 1.144 791 Y CA 1.525 59.502 58.100 -0.206 0.000 1.228 791 Y CB -0.045 38.086 38.460 -0.549 0.000 0.985 791 Y HN 0.058 nan 8.280 nan 0.000 0.542 792 K N -0.120 120.318 120.400 0.063 0.000 2.442 792 K HA -0.111 4.204 4.320 -0.008 0.000 0.198 792 K C 0.375 176.960 176.600 -0.025 0.000 1.042 792 K CA 0.621 56.927 56.287 0.032 0.000 0.958 792 K CB -0.060 32.507 32.500 0.111 0.000 0.766 792 K HN 0.055 nan 8.250 nan 0.000 0.474 793 N N 0.492 119.192 118.700 -0.001 0.000 2.976 793 N HA 0.133 4.868 4.740 -0.008 0.000 0.255 793 N C -2.452 173.058 175.510 -0.000 0.000 1.312 793 N CA -2.102 50.955 53.050 0.011 0.000 0.897 793 N CB 1.115 39.643 38.487 0.068 0.000 1.184 793 N HN -0.191 nan 8.380 nan 0.000 0.497 794 P HA -0.239 nan 4.420 nan 0.000 0.219 794 P C 1.414 178.720 177.300 0.010 0.000 1.158 794 P CA 1.411 64.430 63.100 -0.136 0.000 0.895 794 P CB 0.331 31.930 31.700 -0.168 0.000 0.792 795 R N -0.169 120.339 120.500 0.013 0.000 2.073 795 R HA -0.168 4.167 4.340 -0.008 0.000 0.234 795 R C 2.000 178.343 176.300 0.072 0.000 1.134 795 R CA 1.526 57.648 56.100 0.037 0.000 0.952 795 R CB -0.423 29.890 30.300 0.021 0.000 0.850 795 R HN 0.109 nan 8.270 nan 0.000 0.433 796 E N -0.110 120.143 120.200 0.088 0.000 2.152 796 E HA -0.212 4.133 4.350 -0.008 0.000 0.192 796 E C 1.604 178.285 176.600 0.135 0.000 0.983 796 E CA 0.614 57.071 56.400 0.094 0.000 0.818 796 E CB -0.397 29.357 29.700 0.089 0.000 0.758 796 E HN 0.538 nan 8.360 nan 0.000 0.467 797 W N 2.183 123.482 121.300 -0.001 0.000 2.379 797 W HA -0.148 4.506 4.660 -0.010 0.000 0.307 797 W C 1.519 178.047 176.519 0.015 0.000 1.200 797 W CA 1.913 59.273 57.345 0.026 0.000 1.297 797 W CB -0.368 29.081 29.460 -0.018 0.000 1.140 797 W HN 0.007 nan 8.180 nan 0.000 0.507 798 T N 1.292 116.002 114.554 0.260 0.000 2.821 798 T HA -0.150 4.195 4.350 -0.008 0.000 0.267 798 T C 1.854 176.576 174.700 0.037 0.000 1.046 798 T CA 1.597 63.779 62.100 0.138 0.000 1.139 798 T CB -0.246 68.677 68.868 0.092 0.000 0.871 798 T HN 0.173 nan 8.240 nan 0.000 0.454 799 R N 0.469 120.993 120.500 0.040 0.000 2.092 799 R HA 0.108 4.443 4.340 -0.008 0.000 0.231 799 R C 2.481 178.776 176.300 -0.007 0.000 1.119 799 R CA 1.116 57.235 56.100 0.033 0.000 0.970 799 R CB -0.327 29.996 30.300 0.039 0.000 0.864 799 R HN 0.365 nan 8.270 nan 0.000 0.440 800 M N 0.512 120.072 119.600 -0.067 0.000 2.200 800 M HA -0.121 4.354 4.480 -0.008 0.000 0.265 800 M C 1.918 178.133 176.300 -0.142 0.000 1.066 800 M CA 1.295 56.516 55.300 -0.131 0.000 1.127 800 M CB 0.211 32.671 32.600 -0.234 0.000 1.379 800 M HN -0.026 nan 8.290 nan 0.000 0.420 801 V N 0.917 120.732 119.914 -0.165 0.000 2.295 801 V HA -0.310 3.805 4.120 -0.008 0.000 0.246 801 V C 2.211 178.295 176.094 -0.016 0.000 1.049 801 V CA 1.983 64.218 62.300 -0.109 0.000 1.024 801 V CB -0.593 31.197 31.823 -0.054 0.000 0.648 801 V HN 0.505 nan 8.190 nan 0.000 0.447 802 I N -0.580 120.002 120.570 0.019 0.000 2.264 802 I HA -0.268 3.897 4.170 -0.008 0.000 0.248 802 I C 2.698 178.868 176.117 0.088 0.000 1.111 802 I CA 1.570 62.927 61.300 0.094 0.000 1.382 802 I CB -0.428 37.676 38.000 0.173 0.000 1.060 802 I HN 0.217 nan 8.210 nan 0.000 0.418 803 R N 0.413 120.941 120.500 0.048 0.000 2.148 803 R HA -0.108 4.227 4.340 -0.008 0.000 0.227 803 R C 2.016 178.350 176.300 0.055 0.000 1.103 803 R CA 1.108 57.233 56.100 0.043 0.000 0.983 803 R CB -0.358 29.951 30.300 0.014 0.000 0.874 803 R HN 0.536 nan 8.270 nan 0.000 0.451 804 N N 0.557 119.285 118.700 0.048 0.000 2.148 804 N HA -0.064 4.672 4.740 -0.008 0.000 0.186 804 N C 1.951 177.523 175.510 0.104 0.000 1.031 804 N CA 1.009 54.111 53.050 0.087 0.000 0.848 804 N CB 0.007 38.523 38.487 0.048 0.000 1.005 804 N HN 0.114 nan 8.380 nan 0.000 0.427 805 I N 1.661 122.282 120.570 0.084 0.000 2.208 805 I HA -0.246 3.919 4.170 -0.008 0.000 0.245 805 I C 2.470 178.641 176.117 0.090 0.000 1.097 805 I CA 0.914 62.268 61.300 0.091 0.000 1.363 805 I CB -0.347 37.701 38.000 0.080 0.000 1.051 805 I HN 0.093 nan 8.210 nan 0.000 0.413 806 A N 0.369 123.241 122.820 0.087 0.000 2.019 806 A HA -0.175 4.140 4.320 -0.008 0.000 0.219 806 A C 2.080 179.702 177.584 0.063 0.000 1.164 806 A CA 2.115 54.193 52.037 0.068 0.000 0.644 806 A CB -0.876 18.166 19.000 0.070 0.000 0.805 806 A HN 0.544 nan 8.150 nan 0.000 0.449 807 T N -2.917 111.688 114.554 0.086 0.000 3.174 807 T HA 0.208 4.553 4.350 -0.008 0.000 0.269 807 T C 1.076 175.866 174.700 0.150 0.000 1.017 807 T CA 0.608 62.761 62.100 0.088 0.000 0.899 807 T CB -0.167 68.750 68.868 0.082 0.000 1.077 807 T HN 0.476 nan 8.240 nan 0.000 0.552 808 S N -0.050 115.757 115.700 0.179 0.000 2.593 808 S HA 0.261 4.726 4.470 -0.008 0.000 0.217 808 S C 2.213 176.940 174.600 0.212 0.000 0.966 808 S CA 0.248 58.633 58.200 0.308 0.000 0.914 808 S CB -0.580 62.776 63.200 0.260 0.000 0.776 808 S HN 0.519 nan 8.310 nan 0.000 0.523 809 G N 2.843 111.691 108.800 0.079 0.000 2.505 809 G HA2 -0.321 3.634 3.960 -0.008 0.000 0.220 809 G HA3 -0.321 3.634 3.960 -0.008 0.000 0.220 809 G C 1.322 176.167 174.900 -0.092 0.000 1.145 809 G CA 1.126 46.237 45.100 0.018 0.000 0.761 809 G HN 0.612 nan 8.290 nan 0.000 0.571 810 K N -0.119 120.107 120.400 -0.290 0.000 2.281 810 K HA -0.042 4.273 4.320 -0.008 0.000 0.203 810 K C 1.265 177.508 176.600 -0.595 0.000 1.046 810 K CA 0.756 56.734 56.287 -0.515 0.000 0.938 810 K CB -0.279 31.752 32.500 -0.782 0.000 0.737 810 K HN 0.414 nan 8.250 nan 0.000 0.458 811 F N 0.963 120.940 119.950 0.045 0.000 2.693 811 F HA 0.117 4.638 4.527 -0.009 0.000 0.303 811 F C 0.794 176.638 175.800 0.073 0.000 1.143 811 F CA -0.542 57.492 58.000 0.056 0.000 1.389 811 F CB 0.355 39.385 39.000 0.050 0.000 1.060 811 F HN -0.111 nan 8.300 nan 0.000 0.535 812 S N 0.226 116.000 115.700 0.122 0.000 2.545 812 S HA 0.098 4.563 4.470 -0.008 0.000 0.275 812 S C 1.393 176.069 174.600 0.127 0.000 1.299 812 S CA -0.303 57.972 58.200 0.124 0.000 1.048 812 S CB 0.896 64.138 63.200 0.072 0.000 0.938 812 S HN 0.325 nan 8.310 nan 0.000 0.496 813 S N 3.203 119.005 115.700 0.169 0.000 2.547 813 S HA -0.068 4.397 4.470 -0.008 0.000 0.235 813 S C 0.882 175.531 174.600 0.081 0.000 0.980 813 S CA 0.631 58.950 58.200 0.198 0.000 0.941 813 S CB -0.319 63.074 63.200 0.322 0.000 0.763 813 S HN 0.784 nan 8.310 nan 0.000 0.532 814 D N 1.851 122.284 120.400 0.055 0.000 2.144 814 D HA -0.053 4.582 4.640 -0.008 0.000 0.200 814 D C 2.117 178.417 176.300 -0.000 0.000 0.978 814 D CA 0.686 54.696 54.000 0.018 0.000 0.833 814 D CB -0.294 40.514 40.800 0.013 0.000 0.961 814 D HN 0.282 nan 8.370 nan 0.000 0.470 815 R N 0.882 121.383 120.500 0.003 0.000 2.066 815 R HA -0.075 4.260 4.340 -0.008 0.000 0.232 815 R C 1.837 178.124 176.300 -0.022 0.000 1.131 815 R CA 1.311 57.398 56.100 -0.021 0.000 0.955 815 R CB -0.779 29.495 30.300 -0.044 0.000 0.851 815 R HN 0.100 nan 8.270 nan 0.000 0.432 816 T N 2.250 116.812 114.554 0.015 0.000 2.652 816 T HA -0.115 4.230 4.350 -0.008 0.000 0.267 816 T C 1.923 176.621 174.700 -0.003 0.000 1.039 816 T CA 1.390 63.516 62.100 0.043 0.000 1.153 816 T CB -0.120 68.846 68.868 0.163 0.000 0.863 816 T HN 0.100 nan 8.240 nan 0.000 0.428 817 I N 1.662 122.153 120.570 -0.131 0.000 2.286 817 I HA -0.088 4.077 4.170 -0.008 0.000 0.248 817 I C 2.907 178.977 176.117 -0.078 0.000 1.115 817 I CA 0.928 62.117 61.300 -0.184 0.000 1.392 817 I CB -1.621 36.276 38.000 -0.173 0.000 1.065 817 I HN 0.192 nan 8.210 nan 0.000 0.418 818 A N 0.192 122.984 122.820 -0.047 0.000 1.933 818 A HA -0.235 4.081 4.320 -0.008 0.000 0.218 818 A C 2.248 179.786 177.584 -0.078 0.000 1.175 818 A CA 1.433 53.449 52.037 -0.035 0.000 0.628 818 A CB -0.536 18.449 19.000 -0.025 0.000 0.814 818 A HN 0.516 nan 8.150 nan 0.000 0.444 819 Q N -1.950 117.784 119.800 -0.109 0.000 2.083 819 Q HA -0.145 4.190 4.340 -0.008 0.000 0.198 819 Q C 1.910 177.734 176.000 -0.293 0.000 0.969 819 Q CA 1.529 57.227 55.803 -0.175 0.000 0.838 819 Q CB -0.282 28.343 28.738 -0.188 0.000 0.900 819 Q HN 0.822 nan 8.270 nan 0.000 0.436 820 Y N 0.606 120.606 120.300 -0.500 0.000 2.145 820 Y HA -0.271 4.274 4.550 -0.009 0.000 0.286 820 Y C 2.469 177.772 175.900 -0.996 0.000 1.145 820 Y CA 1.258 58.804 58.100 -0.924 0.000 1.148 820 Y CB -0.376 37.216 38.460 -1.447 0.000 0.981 820 Y HN 0.154 nan 8.280 nan 0.000 0.507 821 A N 0.325 122.896 122.820 -0.416 0.000 1.883 821 A HA -0.223 4.092 4.320 -0.008 0.000 0.217 821 A C 2.248 179.839 177.584 0.012 0.000 1.186 821 A CA 2.035 54.084 52.037 0.020 0.000 0.624 821 A CB -0.533 18.560 19.000 0.156 0.000 0.822 821 A HN 0.421 nan 8.150 nan 0.000 0.444 822 R N -0.612 119.856 120.500 -0.053 0.000 2.075 822 R HA -0.026 4.309 4.340 -0.008 0.000 0.226 822 R C 1.826 178.098 176.300 -0.048 0.000 1.114 822 R CA 1.420 57.503 56.100 -0.029 0.000 0.972 822 R CB -0.220 30.059 30.300 -0.035 0.000 0.869 822 R HN 0.665 nan 8.270 nan 0.000 0.437 823 E N -0.287 119.844 120.200 -0.116 0.000 2.447 823 E HA 0.073 4.418 4.350 -0.008 0.000 0.195 823 E C 1.448 177.991 176.600 -0.094 0.000 1.028 823 E CA 0.519 56.855 56.400 -0.107 0.000 0.876 823 E CB 0.484 30.094 29.700 -0.151 0.000 0.885 823 E HN 0.331 nan 8.360 nan 0.000 0.500 824 I N -1.220 119.259 120.570 -0.152 0.000 3.873 824 I HA 0.023 4.189 4.170 -0.008 0.000 0.284 824 I C 1.270 177.514 176.117 0.212 0.000 1.186 824 I CA -0.087 61.183 61.300 -0.050 0.000 1.362 824 I CB 0.262 38.089 38.000 -0.287 0.000 1.432 824 I HN 0.108 nan 8.210 nan 0.000 0.454 825 W N 1.630 123.023 121.300 0.154 0.000 2.770 825 W HA 0.333 4.988 4.660 -0.008 0.000 0.256 825 W C 1.467 178.022 176.519 0.060 0.000 1.291 825 W CA 0.763 58.180 57.345 0.120 0.000 1.396 825 W CB -1.081 28.437 29.460 0.096 0.000 1.114 825 W HN 0.311 nan 8.180 nan 0.000 0.637 826 G N 1.302 110.236 108.800 0.225 0.000 2.256 826 G HA2 -0.094 3.861 3.960 -0.008 0.000 0.272 826 G HA3 -0.094 3.861 3.960 -0.008 0.000 0.272 826 G C -0.333 174.639 174.900 0.121 0.000 1.076 826 G CA 0.261 45.438 45.100 0.128 0.000 0.882 826 G HN 0.440 nan 8.290 nan 0.000 0.497 827 V N -4.330 115.673 119.914 0.149 0.000 3.007 827 V HA 0.909 5.024 4.120 -0.008 0.000 0.311 827 V C -0.432 175.720 176.094 0.097 0.000 1.120 827 V CA -1.682 60.688 62.300 0.116 0.000 0.980 827 V CB 2.360 34.264 31.823 0.135 0.000 1.033 827 V HN 0.132 nan 8.190 nan 0.000 0.429 828 E N 3.967 124.208 120.200 0.067 0.000 2.174 828 E HA 0.518 4.863 4.350 -0.008 0.000 0.282 828 E C -2.499 174.135 176.600 0.058 0.000 0.992 828 E CA -1.780 54.653 56.400 0.054 0.000 0.803 828 E CB 1.894 31.618 29.700 0.040 0.000 1.090 828 E HN 0.773 nan 8.360 nan 0.000 0.396 829 P HA 0.107 nan 4.420 nan 0.000 0.274 829 P C -0.497 176.830 177.300 0.045 0.000 1.231 829 P CA -0.328 62.804 63.100 0.054 0.000 0.790 829 P CB 1.072 32.799 31.700 0.045 0.000 0.951 830 S N 1.011 116.740 115.700 0.048 0.000 2.547 830 S HA 0.362 4.827 4.470 -0.008 0.000 0.281 830 S C 0.254 174.878 174.600 0.040 0.000 1.118 830 S CA -0.775 57.452 58.200 0.045 0.000 0.947 830 S CB 1.004 64.237 63.200 0.056 0.000 1.053 830 S HN 0.291 nan 8.310 nan 0.000 0.482 831 R N 2.572 123.091 120.500 0.032 0.000 2.552 831 R HA 0.215 4.550 4.340 -0.008 0.000 0.314 831 R C -0.295 176.017 176.300 0.020 0.000 1.041 831 R CA -0.054 56.064 56.100 0.029 0.000 1.076 831 R CB 0.295 30.612 30.300 0.028 0.000 1.290 831 R HN 0.661 nan 8.270 nan 0.000 0.563 832 Q N 1.020 120.832 119.800 0.020 0.000 2.288 832 Q HA 0.192 4.527 4.340 -0.008 0.000 0.258 832 Q C -0.309 175.684 176.000 -0.012 0.000 0.957 832 Q CA -0.214 55.593 55.803 0.008 0.000 0.919 832 Q CB 1.287 30.035 28.738 0.017 0.000 1.185 832 Q HN -0.170 nan 8.270 nan 0.000 0.408 833 R N 1.581 122.066 120.500 -0.025 0.000 2.594 833 R HA 0.255 4.590 4.340 -0.008 0.000 0.272 833 R C -0.465 175.794 176.300 -0.068 0.000 1.074 833 R CA 0.127 56.199 56.100 -0.047 0.000 1.105 833 R CB 0.411 30.683 30.300 -0.047 0.000 1.008 833 R HN 0.492 nan 8.270 nan 0.000 0.472 834 L N 4.822 125.987 121.223 -0.097 0.000 2.334 834 L HA 0.473 4.808 4.340 -0.008 0.000 0.275 834 L C -1.824 174.986 176.870 -0.099 0.000 1.036 834 L CA -2.237 52.516 54.840 -0.144 0.000 0.807 834 L CB 1.749 43.682 42.059 -0.210 0.000 1.231 834 L HN 0.467 nan 8.230 nan 0.000 0.438 835 P HA 0.105 nan 4.420 nan 0.000 0.267 835 P C -0.867 176.404 177.300 -0.048 0.000 1.209 835 P CA -0.111 62.957 63.100 -0.054 0.000 0.763 835 P CB 1.203 32.880 31.700 -0.039 0.000 0.816 836 A N 0.000 122.799 122.820 -0.035 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.008 0.000 0.244 836 A CA 0.000 52.025 52.037 -0.021 0.000 0.836 836 A CB 0.000 18.988 19.000 -0.019 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486