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 2qnb_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPAP 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 -0.031 0.000 1.003 12 Q CA 0.000 55.771 55.803 -0.053 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.059 0.000 1.108 13 I N -0.860 119.697 120.570 -0.022 0.000 2.562 13 I HA 0.562 4.726 4.170 -0.010 0.000 0.301 13 I C 0.911 177.027 176.117 -0.003 0.000 1.003 13 I CA -0.378 60.917 61.300 -0.007 0.000 1.127 13 I CB 1.932 39.932 38.000 0.000 0.000 1.304 13 I HN 0.147 nan 8.210 nan 0.000 0.446 14 S N 3.081 118.784 115.700 0.007 0.000 2.356 14 S HA -0.149 4.315 4.470 -0.010 0.000 0.223 14 S C 1.770 176.377 174.600 0.013 0.000 1.032 14 S CA 2.001 60.206 58.200 0.009 0.000 1.005 14 S CB -0.504 62.706 63.200 0.017 0.000 0.867 14 S HN 0.751 nan 8.310 nan 0.000 0.449 15 V N 0.076 120.005 119.914 0.025 0.000 2.867 15 V HA 0.070 4.184 4.120 -0.010 0.000 0.260 15 V C 1.957 178.064 176.094 0.021 0.000 1.099 15 V CA 1.466 63.783 62.300 0.030 0.000 1.122 15 V CB -1.015 30.833 31.823 0.042 0.000 0.708 15 V HN 0.372 nan 8.190 nan 0.000 0.490 16 R N 1.250 121.755 120.500 0.007 0.000 2.319 16 R HA 0.423 4.757 4.340 -0.010 0.000 0.204 16 R C 1.149 177.439 176.300 -0.017 0.000 0.954 16 R CA 0.564 56.661 56.100 -0.004 0.000 1.066 16 R CB -0.100 30.194 30.300 -0.011 0.000 0.991 16 R HN 0.778 nan 8.270 nan 0.000 0.486 17 G N 0.568 109.357 108.800 -0.017 0.000 2.728 17 G HA2 -0.214 3.740 3.960 -0.010 0.000 0.294 17 G HA3 -0.214 3.740 3.960 -0.010 0.000 0.294 17 G C -0.965 173.918 174.900 -0.029 0.000 1.342 17 G CA -1.075 44.007 45.100 -0.030 0.000 0.866 17 G HN -0.025 nan 8.290 nan 0.000 0.534 18 L N 0.389 121.593 121.223 -0.033 0.000 2.357 18 L HA 0.693 5.027 4.340 -0.010 0.000 0.273 18 L C 1.166 178.019 176.870 -0.028 0.000 1.080 18 L CA 0.256 55.080 54.840 -0.027 0.000 0.803 18 L CB 1.066 43.111 42.059 -0.024 0.000 1.174 18 L HN 1.560 nan 8.230 nan 0.000 0.443 19 A N 2.307 125.113 122.820 -0.023 0.000 3.056 19 A HA 0.602 4.916 4.320 -0.010 0.000 0.328 19 A C 0.623 178.200 177.584 -0.011 0.000 1.233 19 A CA -0.358 51.668 52.037 -0.019 0.000 0.965 19 A CB -0.232 18.755 19.000 -0.022 0.000 1.123 19 A HN 0.786 nan 8.150 nan 0.000 0.502 20 G N -0.136 108.658 108.800 -0.009 0.000 2.483 20 G HA2 0.379 4.333 3.960 -0.010 0.000 0.248 20 G HA3 0.379 4.333 3.960 -0.010 0.000 0.248 20 G C 0.992 175.894 174.900 0.004 0.000 1.248 20 G CA -0.087 45.011 45.100 -0.003 0.000 0.838 20 G HN 0.445 nan 8.290 nan 0.000 0.566 21 V N 1.740 121.657 119.914 0.006 0.000 2.287 21 V HA -0.197 3.917 4.120 -0.010 0.000 0.248 21 V C 2.668 178.772 176.094 0.016 0.000 1.053 21 V CA 2.405 64.711 62.300 0.011 0.000 1.027 21 V CB -0.662 31.167 31.823 0.009 0.000 0.646 21 V HN 0.795 nan 8.190 nan 0.000 0.447 22 E N 0.070 120.280 120.200 0.016 0.000 2.150 22 E HA -0.173 4.172 4.350 -0.010 0.000 0.193 22 E C 2.104 178.724 176.600 0.033 0.000 0.985 22 E CA 1.203 57.617 56.400 0.023 0.000 0.814 22 E CB -0.226 29.486 29.700 0.021 0.000 0.752 22 E HN 0.583 nan 8.360 nan 0.000 0.466 23 N N -0.768 117.949 118.700 0.028 0.000 2.106 23 N HA -0.119 4.616 4.740 -0.010 0.000 0.188 23 N C 1.532 177.066 175.510 0.040 0.000 1.029 23 N CA 0.963 54.034 53.050 0.035 0.000 0.848 23 N CB 0.026 38.520 38.487 0.012 0.000 1.007 23 N HN -0.031 nan 8.380 nan 0.000 0.423 24 V N -0.003 119.927 119.914 0.027 0.000 2.343 24 V HA -0.203 3.911 4.120 -0.010 0.000 0.247 24 V C 2.031 178.147 176.094 0.036 0.000 1.051 24 V CA 1.919 64.234 62.300 0.026 0.000 1.036 24 V CB -0.949 30.884 31.823 0.017 0.000 0.654 24 V HN 0.399 nan 8.190 nan 0.000 0.451 25 T N -0.414 114.161 114.554 0.035 0.000 2.746 25 T HA -0.233 4.111 4.350 -0.010 0.000 0.267 25 T C 1.920 176.653 174.700 0.055 0.000 1.039 25 T CA 1.853 63.976 62.100 0.037 0.000 1.142 25 T CB -0.199 68.686 68.868 0.029 0.000 0.866 25 T HN 0.504 nan 8.240 nan 0.000 0.444 26 E N 0.680 120.919 120.200 0.065 0.000 2.072 26 E HA -0.069 4.275 4.350 -0.010 0.000 0.191 26 E C 1.891 178.565 176.600 0.123 0.000 0.985 26 E CA 0.743 57.194 56.400 0.085 0.000 0.801 26 E CB -0.441 29.314 29.700 0.091 0.000 0.750 26 E HN 0.189 nan 8.360 nan 0.000 0.452 27 L N 0.900 122.203 121.223 0.133 0.000 2.046 27 L HA -0.117 4.217 4.340 -0.010 0.000 0.208 27 L C 2.138 179.114 176.870 0.178 0.000 1.077 27 L CA 1.739 56.682 54.840 0.172 0.000 0.747 27 L CB -0.668 41.466 42.059 0.125 0.000 0.896 27 L HN 0.081 nan 8.230 nan 0.000 0.432 28 K N -0.082 120.385 120.400 0.111 0.000 2.057 28 K HA -0.221 4.093 4.320 -0.010 0.000 0.207 28 K C 2.040 178.740 176.600 0.168 0.000 1.049 28 K CA 1.777 58.122 56.287 0.096 0.000 0.931 28 K CB -0.126 32.393 32.500 0.032 0.000 0.714 28 K HN 0.404 nan 8.250 nan 0.000 0.440 29 K N 0.303 120.782 120.400 0.131 0.000 2.103 29 K HA -0.046 4.268 4.320 -0.010 0.000 0.204 29 K C 1.619 178.305 176.600 0.142 0.000 1.052 29 K CA 1.412 57.771 56.287 0.120 0.000 0.945 29 K CB -0.049 32.496 32.500 0.075 0.000 0.722 29 K HN -0.028 nan 8.250 nan 0.000 0.443 30 N N 0.298 119.095 118.700 0.162 0.000 2.270 30 N HA -0.109 4.625 4.740 -0.010 0.000 0.181 30 N C 1.524 177.191 175.510 0.261 0.000 1.016 30 N CA 0.940 54.082 53.050 0.153 0.000 0.870 30 N CB -0.243 38.345 38.487 0.168 0.000 0.979 30 N HN 0.227 nan 8.380 nan 0.000 0.431 31 F N 2.519 122.572 119.950 0.173 0.000 2.102 31 F HA -0.117 4.405 4.527 -0.010 0.000 0.298 31 F C 1.984 177.890 175.800 0.177 0.000 1.105 31 F CA 1.300 59.415 58.000 0.193 0.000 1.239 31 F CB -0.126 38.957 39.000 0.138 0.000 0.991 31 F HN -0.026 nan 8.300 nan 0.000 0.474 32 N N 0.424 119.342 118.700 0.363 0.000 2.188 32 N HA -0.176 4.558 4.740 -0.010 0.000 0.184 32 N C 2.022 177.609 175.510 0.129 0.000 1.018 32 N CA 1.131 54.321 53.050 0.232 0.000 0.858 32 N CB -0.565 38.042 38.487 0.200 0.000 0.989 32 N HN 0.368 nan 8.380 nan 0.000 0.426 33 R N 0.332 120.907 120.500 0.125 0.000 2.073 33 R HA -0.113 4.221 4.340 -0.010 0.000 0.234 33 R C 1.824 178.205 176.300 0.135 0.000 1.134 33 R CA 1.545 57.741 56.100 0.160 0.000 0.952 33 R CB -0.251 30.076 30.300 0.044 0.000 0.850 33 R HN 0.384 nan 8.270 nan 0.000 0.433 34 H N -0.387 118.721 119.070 0.065 0.000 2.387 34 H HA -0.127 4.423 4.556 -0.010 0.000 0.299 34 H C 1.894 177.149 175.328 -0.122 0.000 1.090 34 H CA 1.430 57.448 56.048 -0.051 0.000 1.332 34 H CB 0.055 29.746 29.762 -0.118 0.000 1.386 34 H HN 0.129 nan 8.280 nan 0.000 0.516 35 L N -0.025 121.175 121.223 -0.038 0.000 2.079 35 L HA -0.202 4.132 4.340 -0.010 0.000 0.210 35 L C 2.159 179.002 176.870 -0.045 0.000 1.081 35 L CA 1.872 56.661 54.840 -0.085 0.000 0.752 35 L CB -0.411 41.609 42.059 -0.064 0.000 0.896 35 L HN 0.317 nan 8.230 nan 0.000 0.433 36 H N -1.920 117.071 119.070 -0.133 0.000 2.273 36 H HA -0.032 4.518 4.556 -0.010 0.000 0.311 36 H C 1.808 176.949 175.328 -0.311 0.000 1.057 36 H CA 2.079 57.959 56.048 -0.280 0.000 1.360 36 H CB -0.286 29.211 29.762 -0.442 0.000 1.414 36 H HN 0.255 nan 8.280 nan 0.000 0.516 37 F N -0.307 119.630 119.950 -0.023 0.000 2.293 37 F HA -0.022 4.498 4.527 -0.010 0.000 0.297 37 F C 2.501 178.227 175.800 -0.124 0.000 1.089 37 F CA 1.379 59.324 58.000 -0.092 0.000 1.377 37 F CB -0.263 38.720 39.000 -0.028 0.000 1.051 37 F HN 0.202 nan 8.300 nan 0.000 0.511 38 T N -0.532 114.049 114.554 0.046 0.000 2.953 38 T HA 0.041 4.385 4.350 -0.010 0.000 0.247 38 T C 1.671 176.270 174.700 -0.169 0.000 1.029 38 T CA 0.664 62.718 62.100 -0.077 0.000 1.144 38 T CB -0.125 68.665 68.868 -0.130 0.000 0.870 38 T HN -0.059 nan 8.240 nan 0.000 0.446 39 L N 0.979 122.100 121.223 -0.169 0.000 2.477 39 L HA 0.286 4.620 4.340 -0.010 0.000 0.220 39 L C 0.721 177.489 176.870 -0.171 0.000 1.106 39 L CA 0.359 55.090 54.840 -0.183 0.000 0.851 39 L CB -0.588 41.370 42.059 -0.168 0.000 0.994 39 L HN 0.044 nan 8.230 nan 0.000 0.462 40 V N -0.106 119.691 119.914 -0.195 0.000 5.961 40 V HA -0.286 3.828 4.120 -0.010 0.000 0.311 40 V C 0.424 176.403 176.094 -0.191 0.000 0.552 40 V CA 0.779 62.939 62.300 -0.234 0.000 0.641 40 V CB -2.153 29.558 31.823 -0.186 0.000 0.286 40 V HN 0.386 nan 8.190 nan 0.000 0.939 41 K N 1.265 121.560 120.400 -0.174 0.000 2.433 41 K HA 0.730 5.044 4.320 -0.010 0.000 0.252 41 K C -0.479 176.082 176.600 -0.066 0.000 1.015 41 K CA -0.462 55.755 56.287 -0.117 0.000 0.860 41 K CB 2.871 35.299 32.500 -0.119 0.000 1.359 41 K HN 0.579 nan 8.250 nan 0.000 0.452 42 D N -0.316 120.068 120.400 -0.026 0.000 2.531 42 D HA 0.295 4.929 4.640 -0.010 0.000 0.244 42 D C 0.460 176.791 176.300 0.051 0.000 1.090 42 D CA -0.577 53.442 54.000 0.032 0.000 0.989 42 D CB 1.371 42.193 40.800 0.035 0.000 1.433 42 D HN 0.116 nan 8.370 nan 0.000 0.492 43 R N 0.162 120.725 120.500 0.105 0.000 2.200 43 R HA -0.064 4.270 4.340 -0.010 0.000 0.234 43 R C 1.121 177.494 176.300 0.121 0.000 1.127 43 R CA 0.760 56.961 56.100 0.168 0.000 0.989 43 R CB -0.743 29.660 30.300 0.173 0.000 0.869 43 R HN 0.502 nan 8.270 nan 0.000 0.459 44 N N 0.062 118.802 118.700 0.067 0.000 2.354 44 N HA -0.090 4.644 4.740 -0.010 0.000 0.179 44 N C 1.627 177.155 175.510 0.029 0.000 1.021 44 N CA 1.256 54.334 53.050 0.047 0.000 0.887 44 N CB 0.172 38.676 38.487 0.030 0.000 0.974 44 N HN 0.246 nan 8.380 nan 0.000 0.437 45 V N -3.156 116.762 119.914 0.006 0.000 3.605 45 V HA 0.546 4.660 4.120 -0.010 0.000 0.284 45 V C 0.715 176.774 176.094 -0.058 0.000 1.386 45 V CA -0.465 61.824 62.300 -0.019 0.000 1.053 45 V CB -0.388 31.418 31.823 -0.027 0.000 0.857 45 V HN 0.055 nan 8.190 nan 0.000 0.436 46 A N 2.193 124.958 122.820 -0.092 0.000 2.440 46 A HA 0.605 4.919 4.320 -0.010 0.000 0.251 46 A C 0.712 178.118 177.584 -0.296 0.000 1.089 46 A CA 0.685 52.559 52.037 -0.271 0.000 0.779 46 A CB -0.052 18.666 19.000 -0.470 0.000 1.022 46 A HN 0.814 nan 8.150 nan 0.000 0.492 47 T N 0.201 114.582 114.554 -0.288 0.000 2.936 47 T HA 0.565 4.909 4.350 -0.010 0.000 0.282 47 T C -2.056 172.553 174.700 -0.151 0.000 1.003 47 T CA -1.761 60.254 62.100 -0.142 0.000 1.005 47 T CB 1.142 69.975 68.868 -0.058 0.000 1.097 47 T HN 0.249 nan 8.240 nan 0.000 0.532 48 P HA -0.122 nan 4.420 nan 0.000 0.217 48 P C 1.625 179.031 177.300 0.177 0.000 1.151 48 P CA 1.069 64.297 63.100 0.213 0.000 0.849 48 P CB 0.030 31.824 31.700 0.157 0.000 0.787 49 R N -0.027 120.526 120.500 0.089 0.000 2.081 49 R HA -0.152 4.182 4.340 -0.010 0.000 0.235 49 R C 1.725 178.189 176.300 0.274 0.000 1.131 49 R CA 1.883 58.075 56.100 0.152 0.000 0.960 49 R CB -0.717 29.600 30.300 0.029 0.000 0.856 49 R HN 0.104 nan 8.270 nan 0.000 0.436 50 D N -0.381 120.059 120.400 0.067 0.000 2.123 50 D HA -0.196 4.438 4.640 -0.010 0.000 0.196 50 D C 1.759 178.078 176.300 0.031 0.000 0.992 50 D CA 1.359 55.350 54.000 -0.013 0.000 0.833 50 D CB -0.330 40.319 40.800 -0.251 0.000 0.954 50 D HN 0.315 nan 8.370 nan 0.000 0.455 51 Y N 0.105 120.514 120.300 0.181 0.000 2.200 51 Y HA -0.199 4.345 4.550 -0.010 0.000 0.290 51 Y C 2.332 178.382 175.900 0.250 0.000 1.137 51 Y CA 0.284 58.538 58.100 0.257 0.000 1.163 51 Y CB -1.201 37.466 38.460 0.344 0.000 0.988 51 Y HN 0.078 nan 8.280 nan 0.000 0.518 52 Y N -0.343 120.110 120.300 0.255 0.000 2.081 52 Y HA -0.321 4.223 4.550 -0.010 0.000 0.280 52 Y C 2.035 177.932 175.900 -0.006 0.000 1.163 52 Y CA 1.462 59.611 58.100 0.082 0.000 1.135 52 Y CB -1.184 37.227 38.460 -0.081 0.000 0.970 52 Y HN 0.053 nan 8.280 nan 0.000 0.498 53 F N 0.161 119.926 119.950 -0.308 0.000 2.171 53 F HA -0.157 4.364 4.527 -0.009 0.000 0.300 53 F C 2.632 178.296 175.800 -0.228 0.000 1.090 53 F CA 1.286 59.054 58.000 -0.388 0.000 1.293 53 F CB -0.795 38.139 39.000 -0.109 0.000 1.013 53 F HN 0.219 nan 8.300 nan 0.000 0.486 54 A N -0.242 122.535 122.820 -0.071 0.000 1.902 54 A HA -0.178 4.136 4.320 -0.010 0.000 0.217 54 A C 2.050 179.519 177.584 -0.191 0.000 1.181 54 A CA 1.539 53.395 52.037 -0.302 0.000 0.623 54 A CB -0.966 17.517 19.000 -0.862 0.000 0.818 54 A HN 0.345 nan 8.150 nan 0.000 0.443 55 L N -0.320 120.920 121.223 0.029 0.000 2.056 55 L HA 0.017 4.351 4.340 -0.010 0.000 0.207 55 L C 2.670 179.537 176.870 -0.005 0.000 1.078 55 L CA 2.068 57.040 54.840 0.219 0.000 0.749 55 L CB -0.878 41.374 42.059 0.320 0.000 0.901 55 L HN 0.335 nan 8.230 nan 0.000 0.433 56 A N -1.181 121.461 122.820 -0.297 0.000 1.908 56 A HA -0.284 4.030 4.320 -0.010 0.000 0.218 56 A C 2.133 179.384 177.584 -0.555 0.000 1.181 56 A CA 2.043 53.782 52.037 -0.497 0.000 0.627 56 A CB -1.087 17.295 19.000 -1.031 0.000 0.818 56 A HN 0.668 nan 8.150 nan 0.000 0.445 57 H N -0.775 117.993 119.070 -0.504 0.000 2.389 57 H HA -0.049 4.501 4.556 -0.010 0.000 0.299 57 H C 2.323 177.380 175.328 -0.452 0.000 1.081 57 H CA 1.931 57.604 56.048 -0.627 0.000 1.345 57 H CB -0.186 28.957 29.762 -1.032 0.000 1.393 57 H HN 0.467 nan 8.280 nan 0.000 0.520 58 T N -0.339 114.168 114.554 -0.079 0.000 2.777 58 T HA -0.124 4.221 4.350 -0.010 0.000 0.266 58 T C 2.254 177.119 174.700 0.276 0.000 1.040 58 T CA 1.339 63.572 62.100 0.221 0.000 1.141 58 T CB -0.367 68.698 68.868 0.328 0.000 0.868 58 T HN 0.098 nan 8.240 nan 0.000 0.444 59 V N 1.512 121.556 119.914 0.217 0.000 2.379 59 V HA -0.110 4.004 4.120 -0.010 0.000 0.245 59 V C 2.602 178.870 176.094 0.289 0.000 1.044 59 V CA 1.582 64.049 62.300 0.277 0.000 1.036 59 V CB -0.636 31.341 31.823 0.257 0.000 0.664 59 V HN 0.363 nan 8.190 nan 0.000 0.453 60 R N 0.326 120.931 120.500 0.175 0.000 2.117 60 R HA -0.232 4.102 4.340 -0.010 0.000 0.243 60 R C 1.978 178.363 176.300 0.142 0.000 1.143 60 R CA 2.174 58.362 56.100 0.147 0.000 0.968 60 R CB -0.453 29.753 30.300 -0.157 0.000 0.863 60 R HN 0.478 nan 8.270 nan 0.000 0.444 61 D N -0.114 120.358 120.400 0.119 0.000 2.158 61 D HA -0.187 4.447 4.640 -0.010 0.000 0.197 61 D C 1.689 177.995 176.300 0.011 0.000 0.995 61 D CA 1.198 55.240 54.000 0.069 0.000 0.846 61 D CB -0.415 40.412 40.800 0.044 0.000 0.941 61 D HN 0.482 nan 8.370 nan 0.000 0.456 62 H N -0.282 118.847 119.070 0.099 0.000 2.521 62 H HA 0.039 4.589 4.556 -0.010 0.000 0.286 62 H C 2.135 177.501 175.328 0.063 0.000 1.034 62 H CA 0.376 56.467 56.048 0.072 0.000 1.278 62 H CB 0.281 30.078 29.762 0.059 0.000 1.386 62 H HN 0.212 nan 8.280 nan 0.000 0.567 63 L N -0.266 121.060 121.223 0.171 0.000 2.270 63 L HA -0.071 4.263 4.340 -0.010 0.000 0.210 63 L C 2.456 179.430 176.870 0.173 0.000 1.104 63 L CA 0.075 54.984 54.840 0.114 0.000 0.804 63 L CB 0.012 42.102 42.059 0.052 0.000 0.937 63 L HN 0.019 nan 8.230 nan 0.000 0.450 64 V N 0.356 120.382 119.914 0.186 0.000 2.233 64 V HA -0.244 3.870 4.120 -0.010 0.000 0.247 64 V C 2.642 178.840 176.094 0.173 0.000 1.050 64 V CA 2.224 64.658 62.300 0.224 0.000 1.010 64 V CB -1.340 30.570 31.823 0.146 0.000 0.637 64 V HN 0.552 nan 8.190 nan 0.000 0.444 65 G N -0.347 108.514 108.800 0.100 0.000 2.446 65 G HA2 -0.265 3.689 3.960 -0.010 0.000 0.217 65 G HA3 -0.265 3.689 3.960 -0.010 0.000 0.217 65 G C 1.744 176.689 174.900 0.075 0.000 1.168 65 G CA 0.921 46.059 45.100 0.064 0.000 0.771 65 G HN 0.454 nan 8.290 nan 0.000 0.551 66 R N -1.455 119.099 120.500 0.089 0.000 2.096 66 R HA -0.083 4.251 4.340 -0.010 0.000 0.235 66 R C 2.267 178.648 176.300 0.135 0.000 1.127 66 R CA 1.194 57.336 56.100 0.070 0.000 0.968 66 R CB -0.337 29.988 30.300 0.042 0.000 0.861 66 R HN 0.485 nan 8.270 nan 0.000 0.440 67 W N 1.408 122.688 121.300 -0.033 0.000 2.379 67 W HA -0.035 4.619 4.660 -0.009 0.000 0.307 67 W C 1.703 178.194 176.519 -0.047 0.000 1.200 67 W CA 0.819 58.142 57.345 -0.038 0.000 1.297 67 W CB -0.545 28.910 29.460 -0.007 0.000 1.140 67 W HN -0.040 nan 8.180 nan 0.000 0.507 68 I N 1.020 121.647 120.570 0.095 0.000 2.226 68 I HA -0.339 3.825 4.170 -0.010 0.000 0.245 68 I C 2.674 178.772 176.117 -0.031 0.000 1.100 68 I CA 1.994 63.267 61.300 -0.045 0.000 1.374 68 I CB -0.560 37.417 38.000 -0.038 0.000 1.057 68 I HN -0.033 nan 8.210 nan 0.000 0.413 69 R N 0.140 120.638 120.500 -0.004 0.000 2.153 69 R HA -0.022 4.312 4.340 -0.010 0.000 0.218 69 R C 1.955 178.220 176.300 -0.058 0.000 1.072 69 R CA 1.414 57.502 56.100 -0.020 0.000 0.990 69 R CB -1.194 29.097 30.300 -0.015 0.000 0.889 69 R HN 0.170 nan 8.270 nan 0.000 0.452 70 T N 1.777 116.275 114.554 -0.094 0.000 2.652 70 T HA -0.121 4.223 4.350 -0.010 0.000 0.267 70 T C 1.830 176.260 174.700 -0.449 0.000 1.039 70 T CA 1.468 63.402 62.100 -0.276 0.000 1.153 70 T CB -0.134 68.613 68.868 -0.202 0.000 0.863 70 T HN 0.248 nan 8.240 nan 0.000 0.428 71 Q N 0.724 120.406 119.800 -0.197 0.000 2.167 71 Q HA -0.065 4.269 4.340 -0.010 0.000 0.202 71 Q C 2.342 178.342 176.000 -0.001 0.000 0.970 71 Q CA 1.195 56.951 55.803 -0.079 0.000 0.855 71 Q CB -0.494 28.228 28.738 -0.026 0.000 0.911 71 Q HN 0.475 nan 8.270 nan 0.000 0.438 72 Q N 0.197 119.987 119.800 -0.017 0.000 2.119 72 Q HA -0.179 4.155 4.340 -0.010 0.000 0.201 72 Q C 1.888 177.958 176.000 0.117 0.000 0.972 72 Q CA 1.850 57.682 55.803 0.048 0.000 0.847 72 Q CB -0.356 28.393 28.738 0.019 0.000 0.903 72 Q HN 0.568 nan 8.270 nan 0.000 0.433 73 H N -1.097 117.938 119.070 -0.057 0.000 2.353 73 H HA -0.163 4.387 4.556 -0.010 0.000 0.300 73 H C 1.040 176.430 175.328 0.102 0.000 1.090 73 H CA 2.093 58.122 56.048 -0.032 0.000 1.327 73 H CB -0.194 29.487 29.762 -0.136 0.000 1.383 73 H HN 0.338 nan 8.280 nan 0.000 0.508 74 Y N -1.158 119.168 120.300 0.042 0.000 2.293 74 Y HA -0.152 4.392 4.550 -0.010 0.000 0.291 74 Y C 2.323 178.239 175.900 0.025 0.000 1.137 74 Y CA 0.913 59.010 58.100 -0.005 0.000 1.202 74 Y CB -1.268 37.250 38.460 0.097 0.000 0.990 74 Y HN 0.352 nan 8.280 nan 0.000 0.537 75 Y N 1.326 121.692 120.300 0.110 0.000 2.200 75 Y HA -0.175 4.369 4.550 -0.010 0.000 0.290 75 Y C 2.088 177.988 175.900 -0.001 0.000 1.137 75 Y CA 1.744 59.874 58.100 0.049 0.000 1.163 75 Y CB 0.010 38.490 38.460 0.034 0.000 0.988 75 Y HN 0.058 nan 8.280 nan 0.000 0.518 76 E N 0.164 120.375 120.200 0.018 0.000 2.051 76 E HA -0.175 4.169 4.350 -0.010 0.000 0.189 76 E C 2.018 178.537 176.600 -0.134 0.000 0.979 76 E CA 1.100 57.456 56.400 -0.073 0.000 0.803 76 E CB -0.319 29.386 29.700 0.009 0.000 0.761 76 E HN 0.404 nan 8.360 nan 0.000 0.451 77 K N 0.960 121.256 120.400 -0.174 0.000 2.296 77 K HA -0.110 4.204 4.320 -0.010 0.000 0.200 77 K C -0.155 176.376 176.600 -0.116 0.000 1.048 77 K CA 0.597 56.781 56.287 -0.173 0.000 0.966 77 K CB 0.126 32.437 32.500 -0.315 0.000 0.754 77 K HN -0.090 nan 8.250 nan 0.000 0.466 78 D N 0.936 121.275 120.400 -0.103 0.000 2.735 78 D HA -0.115 4.520 4.640 -0.010 0.000 0.235 78 D C -2.423 173.839 176.300 -0.063 0.000 1.175 78 D CA 0.141 54.090 54.000 -0.085 0.000 0.683 78 D CB -0.036 40.686 40.800 -0.130 0.000 1.008 78 D HN 0.225 nan 8.370 nan 0.000 0.416 79 P HA 0.106 nan 4.420 nan 0.000 0.276 79 P C -0.181 177.071 177.300 -0.079 0.000 1.261 79 P CA -0.605 62.453 63.100 -0.071 0.000 0.800 79 P CB 0.629 32.273 31.700 -0.093 0.000 1.066 80 K N 1.288 121.647 120.400 -0.070 0.000 2.451 80 K HA 0.027 4.341 4.320 -0.010 0.000 0.280 80 K C 0.130 176.643 176.600 -0.146 0.000 1.020 80 K CA -0.085 56.155 56.287 -0.078 0.000 1.008 80 K CB 0.277 32.748 32.500 -0.048 0.000 0.917 80 K HN 0.290 nan 8.250 nan 0.000 0.478 81 R N 4.379 124.781 120.500 -0.164 0.000 2.368 81 R HA 0.342 4.676 4.340 -0.010 0.000 0.302 81 R C -0.212 175.825 176.300 -0.438 0.000 1.002 81 R CA -0.823 55.101 56.100 -0.293 0.000 0.929 81 R CB 0.736 30.870 30.300 -0.276 0.000 1.073 81 R HN 0.501 nan 8.270 nan 0.000 0.464 82 I N 3.866 124.122 120.570 -0.523 0.000 2.339 82 I HA 0.254 4.418 4.170 -0.010 0.000 0.290 82 I C -0.451 175.366 176.117 -0.499 0.000 0.994 82 I CA -1.124 59.827 61.300 -0.582 0.000 1.191 82 I CB 0.528 38.071 38.000 -0.763 0.000 1.343 82 I HN 0.428 nan 8.210 nan 0.000 0.458 83 Y N 6.030 126.294 120.300 -0.061 0.000 2.356 83 Y HA 0.291 4.836 4.550 -0.010 0.000 0.334 83 Y C -0.289 175.709 175.900 0.163 0.000 0.958 83 Y CA -0.712 57.474 58.100 0.145 0.000 1.196 83 Y CB 1.062 39.575 38.460 0.088 0.000 1.137 83 Y HN 0.401 nan 8.280 nan 0.000 0.485 84 Y N 4.502 124.981 120.300 0.298 0.000 2.454 84 Y HA 0.485 5.030 4.550 -0.010 0.000 0.345 84 Y C -1.257 174.906 175.900 0.440 0.000 0.970 84 Y CA -0.889 57.395 58.100 0.307 0.000 1.204 84 Y CB 0.326 38.967 38.460 0.300 0.000 1.122 84 Y HN 0.510 nan 8.280 nan 0.000 0.514 85 L N 5.154 126.420 121.223 0.071 0.000 2.264 85 L HA 0.498 4.832 4.340 -0.010 0.000 0.289 85 L C -0.291 176.608 176.870 0.049 0.000 1.044 85 L CA 0.078 55.030 54.840 0.186 0.000 0.807 85 L CB 1.386 43.520 42.059 0.125 0.000 1.192 85 L HN 0.570 nan 8.230 nan 0.000 0.425 86 S N 2.750 118.563 115.700 0.188 0.000 2.536 86 S HA 0.472 4.936 4.470 -0.010 0.000 0.271 86 S C 0.351 175.048 174.600 0.161 0.000 1.134 86 S CA -0.629 57.584 58.200 0.021 0.000 0.897 86 S CB 1.037 64.028 63.200 -0.347 0.000 1.094 86 S HN 0.485 nan 8.310 nan 0.000 0.473 87 L N 2.430 123.780 121.223 0.212 0.000 2.554 87 L HA 0.359 4.693 4.340 -0.010 0.000 0.226 87 L C 0.222 177.287 176.870 0.325 0.000 1.137 87 L CA 1.194 56.224 54.840 0.316 0.000 0.863 87 L CB -0.833 41.429 42.059 0.337 0.000 0.985 87 L HN 0.704 nan 8.230 nan 0.000 0.451 88 E N -0.813 119.452 120.200 0.108 0.000 2.275 88 E HA 0.377 4.721 4.350 -0.010 0.000 0.270 88 E C -1.508 174.973 176.600 -0.199 0.000 0.882 88 E CA -0.360 56.086 56.400 0.077 0.000 0.758 88 E CB 1.998 31.726 29.700 0.047 0.000 1.195 88 E HN -0.149 nan 8.360 nan 0.000 0.419 89 F N 2.274 122.328 119.950 0.173 0.000 2.610 89 F HA 0.185 4.706 4.527 -0.010 0.000 0.355 89 F C -0.769 175.111 175.800 0.132 0.000 1.140 89 F CA -0.797 57.290 58.000 0.145 0.000 1.037 89 F CB 0.973 40.049 39.000 0.127 0.000 1.287 89 F HN 0.487 nan 8.300 nan 0.000 0.457 90 Y N 5.350 125.721 120.300 0.118 0.000 2.714 90 Y HA 0.235 4.779 4.550 -0.009 0.000 0.333 90 Y C 0.869 176.783 175.900 0.024 0.000 1.220 90 Y CA -1.092 57.028 58.100 0.034 0.000 1.513 90 Y CB 0.336 38.797 38.460 0.001 0.000 1.435 90 Y HN 0.558 nan 8.280 nan 0.000 0.489 91 M N 1.500 121.252 119.600 0.253 0.000 2.334 91 M HA 0.124 4.598 4.480 -0.010 0.000 0.266 91 M C 1.560 177.843 176.300 -0.028 0.000 1.082 91 M CA 1.096 56.440 55.300 0.074 0.000 1.141 91 M CB -1.188 31.428 32.600 0.026 0.000 1.380 91 M HN 0.693 nan 8.290 nan 0.000 0.440 92 G N 1.201 110.005 108.800 0.006 0.000 2.562 92 G HA2 -0.271 3.683 3.960 -0.010 0.000 0.250 92 G HA3 -0.271 3.683 3.960 -0.010 0.000 0.250 92 G C -0.252 174.605 174.900 -0.071 0.000 1.269 92 G CA -0.309 44.749 45.100 -0.071 0.000 0.919 92 G HN 0.435 nan 8.290 nan 0.000 0.574 93 R N -0.676 119.758 120.500 -0.110 0.000 2.531 93 R HA 0.572 4.906 4.340 -0.010 0.000 0.273 93 R C 1.067 177.239 176.300 -0.213 0.000 1.070 93 R CA 0.332 56.372 56.100 -0.101 0.000 1.112 93 R CB 0.716 30.964 30.300 -0.086 0.000 1.049 93 R HN 0.527 nan 8.270 nan 0.000 0.508 94 T N 1.093 115.460 114.554 -0.311 0.000 2.978 94 T HA -0.007 4.337 4.350 -0.010 0.000 0.248 94 T C 1.429 175.718 174.700 -0.685 0.000 1.018 94 T CA -0.155 61.538 62.100 -0.678 0.000 1.026 94 T CB 0.132 68.206 68.868 -1.324 0.000 1.032 94 T HN 0.315 nan 8.240 nan 0.000 0.485 95 L N 1.969 123.021 121.223 -0.285 0.000 1.970 95 L HA -0.047 4.287 4.340 -0.010 0.000 0.212 95 L C 2.454 179.283 176.870 -0.069 0.000 1.071 95 L CA 2.021 56.865 54.840 0.006 0.000 0.751 95 L CB -0.653 41.624 42.059 0.363 0.000 0.889 95 L HN 0.185 nan 8.230 nan 0.000 0.432 96 Q N -0.821 118.935 119.800 -0.073 0.000 2.079 96 Q HA -0.242 4.092 4.340 -0.010 0.000 0.200 96 Q C 2.227 178.151 176.000 -0.127 0.000 0.974 96 Q CA 1.757 57.513 55.803 -0.078 0.000 0.840 96 Q CB -0.292 28.398 28.738 -0.080 0.000 0.898 96 Q HN 0.705 nan 8.270 nan 0.000 0.430 97 N N -0.944 117.639 118.700 -0.194 0.000 2.104 97 N HA -0.150 4.585 4.740 -0.010 0.000 0.190 97 N C 1.361 176.760 175.510 -0.185 0.000 1.024 97 N CA 1.799 54.726 53.050 -0.205 0.000 0.853 97 N CB 0.066 38.397 38.487 -0.260 0.000 1.008 97 N HN 0.217 nan 8.380 nan 0.000 0.424 98 T N 1.309 115.717 114.554 -0.244 0.000 2.746 98 T HA -0.066 4.278 4.350 -0.010 0.000 0.267 98 T C 2.071 176.709 174.700 -0.104 0.000 1.039 98 T CA 1.093 63.071 62.100 -0.203 0.000 1.142 98 T CB -0.077 68.626 68.868 -0.276 0.000 0.866 98 T HN 0.267 nan 8.240 nan 0.000 0.444 99 M N 0.582 120.137 119.600 -0.076 0.000 2.086 99 M HA -0.092 4.382 4.480 -0.010 0.000 0.261 99 M C 2.498 178.765 176.300 -0.055 0.000 1.067 99 M CA 1.272 56.541 55.300 -0.051 0.000 1.116 99 M CB -0.691 31.894 32.600 -0.024 0.000 1.348 99 M HN 0.099 nan 8.290 nan 0.000 0.407 100 V N 1.088 120.974 119.914 -0.046 0.000 2.255 100 V HA -0.290 3.824 4.120 -0.010 0.000 0.247 100 V C 1.878 177.987 176.094 0.025 0.000 1.051 100 V CA 1.974 64.274 62.300 0.001 0.000 1.018 100 V CB -0.888 30.935 31.823 0.000 0.000 0.641 100 V HN 0.481 nan 8.190 nan 0.000 0.445 101 N N -0.354 118.345 118.700 -0.000 0.000 2.396 101 N HA -0.041 4.693 4.740 -0.010 0.000 0.180 101 N C 1.144 176.566 175.510 -0.147 0.000 1.028 101 N CA 0.787 53.823 53.050 -0.023 0.000 0.893 101 N CB -0.129 38.348 38.487 -0.016 0.000 0.967 101 N HN 0.298 nan 8.380 nan 0.000 0.440 102 L N -0.043 121.108 121.223 -0.120 0.000 2.640 102 L HA 0.378 4.712 4.340 -0.010 0.000 0.230 102 L C 0.653 177.439 176.870 -0.140 0.000 1.123 102 L CA -0.218 54.547 54.840 -0.125 0.000 0.900 102 L CB -0.739 41.265 42.059 -0.091 0.000 1.146 102 L HN 0.099 nan 8.230 nan 0.000 0.484 103 A N -0.594 122.141 122.820 -0.141 0.000 2.869 103 A HA -0.215 4.099 4.320 -0.010 0.000 0.280 103 A C 1.034 178.558 177.584 -0.099 0.000 1.458 103 A CA 0.922 52.887 52.037 -0.120 0.000 0.776 103 A CB -1.946 16.968 19.000 -0.143 0.000 1.028 103 A HN 0.212 nan 8.150 nan 0.000 0.547 104 L N -0.858 120.307 121.223 -0.096 0.000 2.693 104 L HA 0.253 4.587 4.340 -0.010 0.000 0.235 104 L C 1.832 178.665 176.870 -0.062 0.000 1.127 104 L CA 1.485 56.263 54.840 -0.103 0.000 0.914 104 L CB -0.250 41.719 42.059 -0.149 0.000 1.193 104 L HN 0.633 nan 8.230 nan 0.000 0.502 105 E N -0.035 120.138 120.200 -0.045 0.000 2.038 105 E HA -0.236 4.108 4.350 -0.010 0.000 0.195 105 E C 1.608 178.194 176.600 -0.024 0.000 1.000 105 E CA 1.449 57.833 56.400 -0.027 0.000 0.803 105 E CB 0.254 29.940 29.700 -0.022 0.000 0.750 105 E HN 0.387 nan 8.360 nan 0.000 0.448 106 N N 0.082 118.765 118.700 -0.029 0.000 2.166 106 N HA -0.125 4.609 4.740 -0.010 0.000 0.186 106 N C 1.553 177.046 175.510 -0.028 0.000 1.019 106 N CA 1.240 54.272 53.050 -0.030 0.000 0.856 106 N CB -0.402 38.066 38.487 -0.032 0.000 0.993 106 N HN 0.238 nan 8.380 nan 0.000 0.426 107 A N 0.266 123.068 122.820 -0.031 0.000 1.902 107 A HA -0.145 4.169 4.320 -0.010 0.000 0.217 107 A C 2.633 180.209 177.584 -0.013 0.000 1.181 107 A CA 1.340 53.362 52.037 -0.024 0.000 0.623 107 A CB -0.967 18.010 19.000 -0.037 0.000 0.818 107 A HN 0.443 nan 8.150 nan 0.000 0.443 108 C N -0.964 118.329 119.300 -0.012 0.000 2.457 108 C HA -0.042 4.412 4.460 -0.010 0.000 0.278 108 C C 2.445 177.437 174.990 0.002 0.000 1.309 108 C CA 1.026 60.047 59.018 0.006 0.000 1.735 108 C CB -1.071 26.684 27.740 0.025 0.000 1.992 108 C HN 0.715 nan 8.230 nan 0.000 0.493 109 D N 0.832 121.231 120.400 -0.001 0.000 2.117 109 D HA -0.155 4.479 4.640 -0.010 0.000 0.197 109 D C 2.113 178.422 176.300 0.015 0.000 0.987 109 D CA 1.551 55.551 54.000 0.001 0.000 0.829 109 D CB -0.200 40.588 40.800 -0.020 0.000 0.961 109 D HN 0.467 nan 8.370 nan 0.000 0.460 110 E N 0.054 120.256 120.200 0.003 0.000 2.047 110 E HA -0.031 4.313 4.350 -0.010 0.000 0.191 110 E C 1.905 178.541 176.600 0.060 0.000 0.987 110 E CA 1.512 57.932 56.400 0.034 0.000 0.799 110 E CB -0.591 29.113 29.700 0.006 0.000 0.752 110 E HN 0.221 nan 8.360 nan 0.000 0.449 111 A N -0.028 122.796 122.820 0.007 0.000 1.892 111 A HA -0.246 4.069 4.320 -0.010 0.000 0.218 111 A C 2.511 180.025 177.584 -0.117 0.000 1.188 111 A CA 3.056 55.071 52.037 -0.037 0.000 0.631 111 A CB -1.569 17.412 19.000 -0.031 0.000 0.822 111 A HN 0.527 nan 8.150 nan 0.000 0.447 112 T N -3.687 110.790 114.554 -0.128 0.000 2.821 112 T HA -0.220 4.124 4.350 -0.010 0.000 0.267 112 T C 1.844 176.469 174.700 -0.126 0.000 1.046 112 T CA 1.543 63.511 62.100 -0.219 0.000 1.139 112 T CB -0.607 68.173 68.868 -0.148 0.000 0.871 112 T HN 0.471 nan 8.240 nan 0.000 0.454 113 Y N 2.288 122.510 120.300 -0.131 0.000 2.165 113 Y HA -0.118 4.427 4.550 -0.009 0.000 0.286 113 Y C 2.617 178.457 175.900 -0.100 0.000 1.155 113 Y CA 1.641 59.683 58.100 -0.097 0.000 1.164 113 Y CB -0.502 37.920 38.460 -0.063 0.000 0.978 113 Y HN 0.259 nan 8.280 nan 0.000 0.513 114 Q N -0.936 118.809 119.800 -0.092 0.000 2.364 114 Q HA -0.100 4.234 4.340 -0.010 0.000 0.207 114 Q C 1.421 177.303 176.000 -0.197 0.000 0.970 114 Q CA 0.704 56.413 55.803 -0.156 0.000 0.888 114 Q CB -0.008 28.709 28.738 -0.036 0.000 0.951 114 Q HN 0.365 nan 8.270 nan 0.000 0.469 115 L N -1.022 120.063 121.223 -0.230 0.000 2.591 115 L HA 0.166 4.500 4.340 -0.010 0.000 0.228 115 L C 1.131 177.841 176.870 -0.267 0.000 1.133 115 L CA 1.107 55.792 54.840 -0.257 0.000 0.880 115 L CB -0.207 41.613 42.059 -0.398 0.000 1.033 115 L HN 0.293 nan 8.230 nan 0.000 0.450 116 G N -0.131 108.497 108.800 -0.287 0.000 2.149 116 G HA2 -0.238 3.717 3.960 -0.010 0.000 0.235 116 G HA3 -0.238 3.717 3.960 -0.010 0.000 0.235 116 G C 0.011 174.779 174.900 -0.220 0.000 1.018 116 G CA 0.254 45.197 45.100 -0.261 0.000 0.728 116 G HN 0.271 nan 8.290 nan 0.000 0.508 117 L N -0.326 120.766 121.223 -0.219 0.000 2.354 117 L HA 0.635 4.969 4.340 -0.010 0.000 0.269 117 L C -0.592 176.249 176.870 -0.049 0.000 1.005 117 L CA -1.212 53.531 54.840 -0.161 0.000 0.819 117 L CB 1.909 43.814 42.059 -0.257 0.000 1.311 117 L HN 0.065 nan 8.230 nan 0.000 0.423 118 D N 1.915 122.316 120.400 0.002 0.000 2.359 118 D HA 0.197 4.831 4.640 -0.010 0.000 0.230 118 D C 0.596 176.929 176.300 0.054 0.000 1.118 118 D CA -0.223 53.804 54.000 0.046 0.000 0.844 118 D CB 1.565 42.398 40.800 0.054 0.000 1.059 118 D HN 0.512 nan 8.370 nan 0.000 0.493 119 M N 3.153 122.785 119.600 0.053 0.000 2.159 119 M HA -0.140 4.334 4.480 -0.010 0.000 0.263 119 M C 1.348 177.692 176.300 0.072 0.000 1.063 119 M CA 1.488 56.828 55.300 0.066 0.000 1.110 119 M CB 0.211 32.843 32.600 0.052 0.000 1.374 119 M HN 0.423 nan 8.290 nan 0.000 0.411 120 E N -0.170 120.062 120.200 0.055 0.000 2.110 120 E HA -0.269 4.075 4.350 -0.010 0.000 0.193 120 E C 1.845 178.477 176.600 0.054 0.000 0.988 120 E CA 1.478 57.906 56.400 0.047 0.000 0.804 120 E CB -0.219 29.505 29.700 0.040 0.000 0.745 120 E HN 0.645 nan 8.360 nan 0.000 0.458 121 E N 0.523 120.761 120.200 0.064 0.000 2.072 121 E HA -0.196 4.148 4.350 -0.010 0.000 0.191 121 E C 1.973 178.618 176.600 0.076 0.000 0.985 121 E CA 0.594 57.035 56.400 0.068 0.000 0.801 121 E CB 0.166 29.910 29.700 0.072 0.000 0.750 121 E HN 0.076 nan 8.360 nan 0.000 0.452 122 L N 1.525 122.815 121.223 0.110 0.000 2.093 122 L HA -0.137 4.197 4.340 -0.010 0.000 0.208 122 L C 2.093 179.030 176.870 0.110 0.000 1.085 122 L CA 1.643 56.583 54.840 0.165 0.000 0.755 122 L CB -0.763 41.444 42.059 0.247 0.000 0.904 122 L HN 0.154 nan 8.230 nan 0.000 0.435 123 E N -0.694 119.558 120.200 0.087 0.000 2.153 123 E HA -0.201 4.144 4.350 -0.010 0.000 0.194 123 E C 1.822 178.385 176.600 -0.062 0.000 0.988 123 E CA 0.822 57.244 56.400 0.036 0.000 0.811 123 E CB 0.011 29.734 29.700 0.038 0.000 0.746 123 E HN 0.414 nan 8.360 nan 0.000 0.466 124 E N 0.281 120.459 120.200 -0.037 0.000 2.338 124 E HA -0.110 4.234 4.350 -0.010 0.000 0.197 124 E C 1.878 178.418 176.600 -0.100 0.000 1.007 124 E CA 0.552 56.930 56.400 -0.038 0.000 0.849 124 E CB 0.024 29.738 29.700 0.023 0.000 0.774 124 E HN 0.414 nan 8.360 nan 0.000 0.506 125 I N 0.844 121.294 120.570 -0.200 0.000 2.617 125 I HA -0.112 4.053 4.170 -0.010 0.000 0.256 125 I C 1.417 177.245 176.117 -0.482 0.000 1.167 125 I CA 0.266 61.384 61.300 -0.303 0.000 1.469 125 I CB 0.037 37.858 38.000 -0.299 0.000 1.098 125 I HN -0.023 nan 8.210 nan 0.000 0.436 126 E N 2.361 122.155 120.200 -0.677 0.000 2.415 126 E HA -0.069 4.275 4.350 -0.010 0.000 0.263 126 E C -0.032 176.481 176.600 -0.145 0.000 0.995 126 E CA -0.176 55.887 56.400 -0.561 0.000 0.915 126 E CB 0.603 30.084 29.700 -0.367 0.000 0.951 126 E HN 0.065 nan 8.360 nan 0.000 0.449 127 E N 2.974 123.182 120.200 0.013 0.000 2.354 127 E HA 0.062 4.406 4.350 -0.010 0.000 0.269 127 E C -1.181 175.519 176.600 0.167 0.000 1.036 127 E CA -0.278 56.212 56.400 0.149 0.000 0.876 127 E CB 0.707 30.584 29.700 0.295 0.000 1.009 127 E HN 0.349 nan 8.360 nan 0.000 0.416 128 D N 1.942 122.416 120.400 0.122 0.000 2.455 128 D HA 0.188 4.822 4.640 -0.010 0.000 0.241 128 D C -0.722 175.616 176.300 0.064 0.000 1.138 128 D CA 0.321 54.371 54.000 0.084 0.000 0.877 128 D CB 0.808 41.652 40.800 0.073 0.000 1.187 128 D HN 0.437 nan 8.370 nan 0.000 0.451 129 A N 2.537 125.345 122.820 -0.020 0.000 2.671 129 A HA 0.462 4.777 4.320 -0.010 0.000 0.306 129 A C 1.046 178.455 177.584 -0.291 0.000 1.473 129 A CA -0.398 51.410 52.037 -0.381 0.000 1.155 129 A CB -0.280 18.559 19.000 -0.269 0.000 1.123 129 A HN 0.534 nan 8.150 nan 0.000 0.545 130 G N 2.105 110.665 108.800 -0.400 0.000 3.741 130 G HA2 0.417 4.371 3.960 -0.010 0.000 0.263 130 G HA3 0.417 4.371 3.960 -0.010 0.000 0.263 130 G C 0.289 174.865 174.900 -0.541 0.000 1.175 130 G CA -0.310 44.577 45.100 -0.355 0.000 1.642 130 G HN 0.693 nan 8.290 nan 0.000 0.644 131 L N 1.376 122.369 121.223 -0.384 0.000 2.939 131 L HA 0.397 4.731 4.340 -0.010 0.000 0.239 131 L C 1.016 177.806 176.870 -0.134 0.000 1.325 131 L CA -0.228 54.523 54.840 -0.149 0.000 1.170 131 L CB -0.326 41.782 42.059 0.080 0.000 1.538 131 L HN 0.326 nan 8.230 nan 0.000 0.452 132 G N -1.291 107.210 108.800 -0.498 0.000 2.623 132 G HA2 0.180 4.134 3.960 -0.010 0.000 0.290 132 G HA3 0.180 4.134 3.960 -0.010 0.000 0.290 132 G C -0.165 174.407 174.900 -0.547 0.000 1.437 132 G CA -0.460 44.400 45.100 -0.400 0.000 0.798 132 G HN -0.097 nan 8.290 nan 0.000 0.488 133 N N -0.775 117.812 118.700 -0.187 0.000 2.368 133 N HA 0.213 4.947 4.740 -0.010 0.000 0.178 133 N C 1.195 176.764 175.510 0.098 0.000 1.021 133 N CA 1.428 54.436 53.050 -0.070 0.000 0.875 133 N CB 1.045 39.554 38.487 0.038 0.000 1.020 133 N HN 0.875 nan 8.380 nan 0.000 0.433 134 G N -0.813 108.106 108.800 0.197 0.000 2.825 134 G HA2 0.172 4.126 3.960 -0.010 0.000 0.100 134 G HA3 0.172 4.126 3.960 -0.010 0.000 0.100 134 G C 0.731 175.728 174.900 0.162 0.000 1.195 134 G CA 0.221 45.465 45.100 0.241 0.000 1.317 134 G HN 0.170 nan 8.290 nan 0.000 0.632 135 G N 0.418 109.265 108.800 0.079 0.000 2.446 135 G HA2 -0.068 3.886 3.960 -0.010 0.000 0.217 135 G HA3 -0.068 3.886 3.960 -0.010 0.000 0.217 135 G C 1.896 176.772 174.900 -0.040 0.000 1.168 135 G CA 1.563 46.669 45.100 0.010 0.000 0.771 135 G HN 0.841 nan 8.290 nan 0.000 0.551 136 L N 0.594 121.770 121.223 -0.078 0.000 2.046 136 L HA 0.100 4.434 4.340 -0.010 0.000 0.208 136 L C 2.818 179.610 176.870 -0.131 0.000 1.077 136 L CA 1.994 56.702 54.840 -0.220 0.000 0.747 136 L CB -0.560 41.320 42.059 -0.299 0.000 0.896 136 L HN 0.231 nan 8.230 nan 0.000 0.432 137 G N -0.668 108.120 108.800 -0.020 0.000 2.408 137 G HA2 -0.295 3.659 3.960 -0.010 0.000 0.217 137 G HA3 -0.295 3.659 3.960 -0.010 0.000 0.217 137 G C 1.642 176.595 174.900 0.088 0.000 1.150 137 G CA 0.684 45.802 45.100 0.030 0.000 0.776 137 G HN 0.303 nan 8.290 nan 0.000 0.542 138 R N -0.059 120.504 120.500 0.106 0.000 2.115 138 R HA 0.152 4.486 4.340 -0.010 0.000 0.226 138 R C 2.290 178.574 176.300 -0.026 0.000 1.100 138 R CA 0.704 56.844 56.100 0.066 0.000 0.980 138 R CB -0.845 29.461 30.300 0.011 0.000 0.875 138 R HN 0.316 nan 8.270 nan 0.000 0.445 139 L N 0.266 121.404 121.223 -0.141 0.000 2.012 139 L HA -0.041 4.294 4.340 -0.010 0.000 0.210 139 L C 2.101 178.647 176.870 -0.539 0.000 1.073 139 L CA 2.223 56.831 54.840 -0.387 0.000 0.748 139 L CB -0.910 40.881 42.059 -0.446 0.000 0.891 139 L HN 0.265 nan 8.230 nan 0.000 0.431 140 A N -0.657 121.982 122.820 -0.303 0.000 1.908 140 A HA -0.196 4.118 4.320 -0.010 0.000 0.218 140 A C 2.433 180.050 177.584 0.054 0.000 1.181 140 A CA 2.070 53.996 52.037 -0.185 0.000 0.627 140 A CB -1.172 17.684 19.000 -0.241 0.000 0.818 140 A HN 0.585 nan 8.150 nan 0.000 0.445 141 A N -1.118 121.772 122.820 0.116 0.000 1.873 141 A HA -0.132 4.182 4.320 -0.010 0.000 0.215 141 A C 2.319 179.970 177.584 0.112 0.000 1.186 141 A CA 1.587 53.726 52.037 0.169 0.000 0.616 141 A CB -1.269 17.821 19.000 0.150 0.000 0.823 141 A HN 0.606 nan 8.150 nan 0.000 0.442 142 C N -1.363 118.001 119.300 0.106 0.000 2.429 142 C HA -0.084 4.370 4.460 -0.010 0.000 0.277 142 C C 2.427 177.572 174.990 0.258 0.000 1.262 142 C CA 0.660 59.781 59.018 0.171 0.000 1.733 142 C CB -1.656 26.206 27.740 0.204 0.000 2.010 142 C HN 0.600 nan 8.230 nan 0.000 0.483 143 F N 1.182 121.110 119.950 -0.036 0.000 2.134 143 F HA -0.084 4.436 4.527 -0.010 0.000 0.299 143 F C 2.257 177.997 175.800 -0.099 0.000 1.097 143 F CA 0.987 58.916 58.000 -0.118 0.000 1.264 143 F CB -1.380 37.413 39.000 -0.345 0.000 1.001 143 F HN 0.203 nan 8.300 nan 0.000 0.479 144 L N -0.402 120.896 121.223 0.125 0.000 2.042 144 L HA -0.256 4.078 4.340 -0.010 0.000 0.210 144 L C 2.176 179.058 176.870 0.019 0.000 1.076 144 L CA 2.000 56.869 54.840 0.049 0.000 0.749 144 L CB -0.774 41.313 42.059 0.046 0.000 0.893 144 L HN 0.106 nan 8.230 nan 0.000 0.432 145 D N -0.526 119.894 120.400 0.034 0.000 2.097 145 D HA -0.173 4.461 4.640 -0.010 0.000 0.195 145 D C 2.214 178.530 176.300 0.026 0.000 0.989 145 D CA 1.477 55.483 54.000 0.010 0.000 0.827 145 D CB 0.201 41.004 40.800 0.005 0.000 0.966 145 D HN 0.070 nan 8.370 nan 0.000 0.456 146 S N -0.732 115.001 115.700 0.055 0.000 2.382 146 S HA -0.112 4.352 4.470 -0.010 0.000 0.228 146 S C 1.989 176.603 174.600 0.023 0.000 1.027 146 S CA 0.889 59.114 58.200 0.042 0.000 0.991 146 S CB -0.225 63.006 63.200 0.052 0.000 0.823 146 S HN 0.344 nan 8.310 nan 0.000 0.469 147 M N 0.891 120.499 119.600 0.013 0.000 2.159 147 M HA -0.098 4.377 4.480 -0.010 0.000 0.263 147 M C 2.427 178.729 176.300 0.003 0.000 1.063 147 M CA 1.398 56.702 55.300 0.007 0.000 1.110 147 M CB -0.485 32.102 32.600 -0.021 0.000 1.374 147 M HN 0.396 nan 8.290 nan 0.000 0.411 148 A N -0.295 122.523 122.820 -0.003 0.000 1.897 148 A HA -0.111 4.204 4.320 -0.010 0.000 0.215 148 A C 2.160 179.757 177.584 0.021 0.000 1.181 148 A CA 1.951 53.989 52.037 0.001 0.000 0.620 148 A CB -1.028 17.957 19.000 -0.026 0.000 0.821 148 A HN 0.412 nan 8.150 nan 0.000 0.443 149 T N 0.335 114.907 114.554 0.030 0.000 2.833 149 T HA -0.010 4.334 4.350 -0.010 0.000 0.269 149 T C 1.325 176.053 174.700 0.048 0.000 1.054 149 T CA 1.161 63.292 62.100 0.052 0.000 1.135 149 T CB -0.268 68.639 68.868 0.065 0.000 0.869 149 T HN 0.343 nan 8.240 nan 0.000 0.466 150 L N 0.428 121.675 121.223 0.041 0.000 2.653 150 L HA 0.311 4.645 4.340 -0.010 0.000 0.231 150 L C 1.634 178.534 176.870 0.050 0.000 1.153 150 L CA -0.070 54.796 54.840 0.043 0.000 0.933 150 L CB -0.377 41.707 42.059 0.043 0.000 1.175 150 L HN 0.396 nan 8.230 nan 0.000 0.473 151 G N 1.116 109.949 108.800 0.054 0.000 2.225 151 G HA2 -0.287 3.667 3.960 -0.010 0.000 0.267 151 G HA3 -0.287 3.667 3.960 -0.010 0.000 0.267 151 G C 0.128 175.078 174.900 0.082 0.000 1.024 151 G CA 0.038 45.188 45.100 0.083 0.000 0.784 151 G HN 0.291 nan 8.290 nan 0.000 0.507 152 L N -0.129 121.111 121.223 0.029 0.000 2.350 152 L HA 0.597 4.931 4.340 -0.010 0.000 0.275 152 L C 1.257 178.011 176.870 -0.193 0.000 1.099 152 L CA -0.323 54.486 54.840 -0.052 0.000 0.808 152 L CB 1.498 43.539 42.059 -0.030 0.000 1.149 152 L HN 0.252 nan 8.230 nan 0.000 0.442 153 A N 3.087 125.649 122.820 -0.430 0.000 2.981 153 A HA 0.536 4.850 4.320 -0.010 0.000 0.280 153 A C 0.358 177.580 177.584 -0.603 0.000 1.743 153 A CA -0.113 51.377 52.037 -0.911 0.000 1.430 153 A CB -0.735 17.613 19.000 -1.086 0.000 1.085 153 A HN 0.709 nan 8.150 nan 0.000 0.597 154 A N 1.519 124.029 122.820 -0.515 0.000 2.340 154 A HA 0.793 5.107 4.320 -0.010 0.000 0.331 154 A C -1.029 176.266 177.584 -0.482 0.000 1.140 154 A CA -0.465 51.337 52.037 -0.393 0.000 0.801 154 A CB 0.792 19.646 19.000 -0.243 0.000 1.234 154 A HN 0.614 nan 8.150 nan 0.000 0.469 155 Y N 0.331 120.551 120.300 -0.133 0.000 2.373 155 Y HA 0.533 5.077 4.550 -0.010 0.000 0.336 155 Y C 0.826 176.796 175.900 0.117 0.000 0.979 155 Y CA -0.532 57.559 58.100 -0.015 0.000 1.080 155 Y CB 2.425 40.952 38.460 0.112 0.000 1.190 155 Y HN 0.835 nan 8.280 nan 0.000 0.446 156 G N 2.345 111.216 108.800 0.119 0.000 2.325 156 G HA2 0.441 4.395 3.960 -0.010 0.000 0.298 156 G HA3 0.441 4.395 3.960 -0.010 0.000 0.298 156 G C -1.702 173.199 174.900 0.002 0.000 1.134 156 G CA -0.234 44.971 45.100 0.176 0.000 0.876 156 G HN 0.520 nan 8.290 nan 0.000 0.452 157 Y N 1.140 121.670 120.300 0.384 0.000 2.350 157 Y HA 0.633 5.177 4.550 -0.010 0.000 0.338 157 Y C 0.779 176.986 175.900 0.511 0.000 0.961 157 Y CA 0.186 58.475 58.100 0.316 0.000 1.100 157 Y CB 2.658 41.327 38.460 0.349 0.000 1.179 157 Y HN 0.856 nan 8.280 nan 0.000 0.454 158 G N 2.346 111.464 108.800 0.529 0.000 2.753 158 G HA2 0.606 4.560 3.960 -0.010 0.000 0.303 158 G HA3 0.606 4.560 3.960 -0.010 0.000 0.303 158 G C -1.733 173.398 174.900 0.385 0.000 1.242 158 G CA -0.838 44.601 45.100 0.565 0.000 0.810 158 G HN 0.431 nan 8.290 nan 0.000 0.515 159 I N 0.551 121.248 120.570 0.212 0.000 2.441 159 I HA 0.432 4.596 4.170 -0.010 0.000 0.295 159 I C 0.242 176.252 176.117 -0.178 0.000 0.994 159 I CA -0.733 60.577 61.300 0.016 0.000 1.144 159 I CB 2.225 40.070 38.000 -0.258 0.000 1.314 159 I HN 0.339 nan 8.210 nan 0.000 0.445 160 R N 6.063 126.559 120.500 -0.008 0.000 2.608 160 R HA 0.229 4.563 4.340 -0.010 0.000 0.277 160 R C -1.278 175.053 176.300 0.051 0.000 1.341 160 R CA -0.439 55.684 56.100 0.037 0.000 1.199 160 R CB -0.028 30.275 30.300 0.005 0.000 1.156 160 R HN 0.397 nan 8.270 nan 0.000 0.558 161 Y N 2.034 122.488 120.300 0.256 0.000 2.442 161 Y HA -0.034 4.510 4.550 -0.010 0.000 0.330 161 Y C 1.431 177.503 175.900 0.287 0.000 1.129 161 Y CA -0.079 58.163 58.100 0.236 0.000 1.365 161 Y CB 0.867 39.447 38.460 0.200 0.000 1.233 161 Y HN 0.562 nan 8.280 nan 0.000 0.529 162 E N 1.655 122.014 120.200 0.266 0.000 2.208 162 E HA -0.055 4.289 4.350 -0.010 0.000 0.193 162 E C -0.717 175.736 176.600 -0.245 0.000 0.988 162 E CA 0.783 57.143 56.400 -0.067 0.000 0.828 162 E CB 0.007 29.507 29.700 -0.333 0.000 0.763 162 E HN 0.382 nan 8.360 nan 0.000 0.478 163 F N 0.991 121.158 119.950 0.361 0.000 2.477 163 F HA 0.470 4.991 4.527 -0.010 0.000 0.335 163 F C 0.927 176.821 175.800 0.158 0.000 1.130 163 F CA -1.056 57.115 58.000 0.285 0.000 0.948 163 F CB 1.956 41.050 39.000 0.157 0.000 1.154 163 F HN -0.127 nan 8.300 nan 0.000 0.439 164 G N 1.854 110.770 108.800 0.193 0.000 2.546 164 G HA2 0.330 4.284 3.960 -0.010 0.000 0.239 164 G HA3 0.330 4.284 3.960 -0.010 0.000 0.239 164 G C -0.502 174.349 174.900 -0.082 0.000 1.476 164 G CA -0.665 44.382 45.100 -0.088 0.000 1.064 164 G HN 0.556 nan 8.290 nan 0.000 0.561 165 I N 0.932 121.366 120.570 -0.226 0.000 2.752 165 I HA 0.212 4.376 4.170 -0.010 0.000 0.289 165 I C 0.501 176.516 176.117 -0.170 0.000 1.197 165 I CA -1.092 60.051 61.300 -0.262 0.000 1.432 165 I CB -0.276 37.466 38.000 -0.430 0.000 1.359 165 I HN 0.324 nan 8.210 nan 0.000 0.571 166 F N 6.197 126.153 119.950 0.009 0.000 2.595 166 F HA 0.258 4.779 4.527 -0.010 0.000 0.359 166 F C 0.522 176.368 175.800 0.077 0.000 1.147 166 F CA -0.625 57.403 58.000 0.047 0.000 1.341 166 F CB -0.378 38.639 39.000 0.029 0.000 1.104 166 F HN 0.420 nan 8.300 nan 0.000 0.603 167 N N 2.339 121.213 118.700 0.291 0.000 2.497 167 N HA 0.038 4.772 4.740 -0.010 0.000 0.271 167 N C -0.753 174.990 175.510 0.388 0.000 1.142 167 N CA -0.241 52.959 53.050 0.248 0.000 0.965 167 N CB 1.101 39.715 38.487 0.213 0.000 1.077 167 N HN 0.757 nan 8.380 nan 0.000 0.462 168 Q N 2.444 122.447 119.800 0.339 0.000 2.303 168 Q HA 0.155 4.489 4.340 -0.010 0.000 0.257 168 Q C -0.951 175.217 176.000 0.279 0.000 0.941 168 Q CA -0.464 55.569 55.803 0.385 0.000 0.931 168 Q CB 0.633 29.604 28.738 0.389 0.000 1.215 168 Q HN 0.221 nan 8.270 nan 0.000 0.437 169 K N 4.230 124.769 120.400 0.232 0.000 2.207 169 K HA 0.464 4.778 4.320 -0.010 0.000 0.255 169 K C -0.545 176.154 176.600 0.165 0.000 0.941 169 K CA -0.856 55.543 56.287 0.188 0.000 0.825 169 K CB 1.549 34.136 32.500 0.146 0.000 1.119 169 K HN 0.617 nan 8.250 nan 0.000 0.430 170 I N 1.902 122.564 120.570 0.152 0.000 2.330 170 I HA 0.173 4.337 4.170 -0.010 0.000 0.289 170 I C -0.122 176.052 176.117 0.095 0.000 1.001 170 I CA -0.722 60.639 61.300 0.102 0.000 1.193 170 I CB 0.923 38.965 38.000 0.070 0.000 1.345 170 I HN 0.456 nan 8.210 nan 0.000 0.461 171 C N 4.951 124.316 119.300 0.109 0.000 2.346 171 C HA 0.623 5.077 4.460 -0.010 0.000 0.326 171 C C 1.162 176.250 174.990 0.164 0.000 1.224 171 C CA 0.230 59.316 59.018 0.113 0.000 1.408 171 C CB 0.027 27.826 27.740 0.099 0.000 2.089 171 C HN 1.102 nan 8.230 nan 0.000 0.456 172 G N 3.916 112.788 108.800 0.120 0.000 2.258 172 G HA2 0.066 4.020 3.960 -0.010 0.000 0.274 172 G HA3 0.066 4.020 3.960 -0.010 0.000 0.274 172 G C 1.204 176.141 174.900 0.062 0.000 1.021 172 G CA 1.226 46.408 45.100 0.137 0.000 0.798 172 G HN 2.557 nan 8.290 nan 0.000 0.507 173 G N -3.004 105.768 108.800 -0.046 0.000 2.199 173 G HA2 -0.281 3.673 3.960 -0.010 0.000 0.254 173 G HA3 -0.281 3.673 3.960 -0.010 0.000 0.254 173 G C 0.336 175.004 174.900 -0.386 0.000 0.982 173 G CA 0.597 45.543 45.100 -0.257 0.000 0.632 173 G HN 1.183 nan 8.290 nan 0.000 0.529 174 W N 0.940 122.187 121.300 -0.089 0.000 2.512 174 W HA 0.667 5.322 4.660 -0.010 0.000 0.335 174 W C 0.629 177.097 176.519 -0.086 0.000 1.088 174 W CA -0.896 56.391 57.345 -0.097 0.000 1.236 174 W CB 0.831 30.250 29.460 -0.068 0.000 1.307 174 W HN 0.248 nan 8.180 nan 0.000 0.567 175 Q N 3.202 123.096 119.800 0.156 0.000 2.289 175 Q HA 0.181 4.515 4.340 -0.010 0.000 0.273 175 Q C -0.541 175.517 176.000 0.097 0.000 1.029 175 Q CA 0.230 56.100 55.803 0.112 0.000 0.896 175 Q CB 0.504 29.304 28.738 0.103 0.000 1.182 175 Q HN 0.314 nan 8.270 nan 0.000 0.385 176 M N 3.219 122.870 119.600 0.085 0.000 2.436 176 M HA 0.369 4.843 4.480 -0.010 0.000 0.331 176 M C -0.996 175.307 176.300 0.006 0.000 1.135 176 M CA -0.672 54.643 55.300 0.026 0.000 0.987 176 M CB 1.730 34.358 32.600 0.045 0.000 1.687 176 M HN 0.602 nan 8.290 nan 0.000 0.445 177 E N 1.331 121.459 120.200 -0.120 0.000 2.175 177 E HA 0.460 4.804 4.350 -0.010 0.000 0.278 177 E C -0.909 175.673 176.600 -0.030 0.000 0.969 177 E CA -0.389 55.895 56.400 -0.194 0.000 0.796 177 E CB 1.744 31.073 29.700 -0.618 0.000 1.104 177 E HN 0.481 nan 8.360 nan 0.000 0.395 178 E N 1.437 121.703 120.200 0.111 0.000 2.248 178 E HA 0.602 4.946 4.350 -0.010 0.000 0.267 178 E C -1.218 175.471 176.600 0.148 0.000 0.877 178 E CA -1.135 55.327 56.400 0.104 0.000 0.759 178 E CB 1.238 31.015 29.700 0.128 0.000 1.182 178 E HN 0.609 nan 8.360 nan 0.000 0.418 179 A N 3.477 126.341 122.820 0.072 0.000 2.546 179 A HA 0.027 4.341 4.320 -0.010 0.000 0.243 179 A C -0.052 177.685 177.584 0.255 0.000 1.063 179 A CA 0.254 52.338 52.037 0.077 0.000 0.757 179 A CB 0.115 19.023 19.000 -0.153 0.000 0.991 179 A HN 0.670 nan 8.150 nan 0.000 0.503 180 D N 1.825 122.447 120.400 0.369 0.000 2.494 180 D HA 0.187 4.821 4.640 -0.010 0.000 0.217 180 D C -0.443 176.185 176.300 0.547 0.000 1.153 180 D CA -0.214 54.017 54.000 0.384 0.000 0.954 180 D CB 0.349 41.310 40.800 0.268 0.000 1.034 180 D HN 0.371 nan 8.370 nan 0.000 0.518 181 D N 3.819 124.499 120.400 0.466 0.000 2.801 181 D HA -0.026 4.609 4.640 -0.010 0.000 0.232 181 D C 1.114 177.535 176.300 0.203 0.000 1.128 181 D CA -0.529 53.663 54.000 0.319 0.000 1.003 181 D CB -0.184 40.793 40.800 0.295 0.000 1.110 181 D HN 0.568 nan 8.370 nan 0.000 0.477 182 W N 1.743 123.068 121.300 0.041 0.000 2.525 182 W HA -0.034 4.620 4.660 -0.010 0.000 0.259 182 W C 0.149 176.711 176.519 0.073 0.000 1.253 182 W CA 0.089 57.480 57.345 0.078 0.000 1.262 182 W CB -0.723 28.788 29.460 0.084 0.000 1.122 182 W HN 0.169 nan 8.180 nan 0.000 0.607 183 L N 1.091 121.958 121.223 -0.594 0.000 2.628 183 L HA 0.186 4.520 4.340 -0.010 0.000 0.229 183 L C 2.756 179.452 176.870 -0.290 0.000 1.137 183 L CA -0.050 54.412 54.840 -0.630 0.000 0.909 183 L CB -0.606 40.953 42.059 -0.833 0.000 1.137 183 L HN -0.102 nan 8.230 nan 0.000 0.470 184 R N 0.629 121.011 120.500 -0.196 0.000 2.113 184 R HA -0.229 4.105 4.340 -0.010 0.000 0.244 184 R C 1.329 177.430 176.300 -0.331 0.000 1.142 184 R CA 2.100 58.034 56.100 -0.277 0.000 0.953 184 R CB -0.181 29.910 30.300 -0.348 0.000 0.860 184 R HN 0.315 nan 8.270 nan 0.000 0.438 185 Y N -0.506 119.810 120.300 0.027 0.000 2.457 185 Y HA 0.326 4.871 4.550 -0.010 0.000 0.263 185 Y C 0.825 176.717 175.900 -0.013 0.000 1.164 185 Y CA 0.474 58.598 58.100 0.040 0.000 1.274 185 Y CB 0.840 39.433 38.460 0.222 0.000 1.097 185 Y HN 0.436 nan 8.280 nan 0.000 0.523 186 G N 1.309 110.154 108.800 0.075 0.000 2.663 186 G HA2 -0.222 3.732 3.960 -0.010 0.000 0.686 186 G HA3 -0.222 3.732 3.960 -0.010 0.000 0.686 186 G C -1.224 173.752 174.900 0.126 0.000 1.246 186 G CA -0.853 44.260 45.100 0.021 0.000 0.795 186 G HN 0.254 nan 8.290 nan 0.000 0.627 187 N N 1.398 120.110 118.700 0.021 0.000 2.564 187 N HA 0.571 5.305 4.740 -0.010 0.000 0.248 187 N C -0.565 174.956 175.510 0.018 0.000 0.986 187 N CA -2.056 51.030 53.050 0.060 0.000 0.921 187 N CB 1.870 40.321 38.487 -0.061 0.000 1.136 187 N HN 0.230 nan 8.380 nan 0.000 0.509 188 P HA -0.018 nan 4.420 nan 0.000 0.226 188 P C 0.470 177.464 177.300 -0.510 0.000 1.153 188 P CA 0.857 63.672 63.100 -0.476 0.000 0.777 188 P CB 0.044 31.187 31.700 -0.928 0.000 0.794 189 W N 1.633 122.948 121.300 0.024 0.000 3.003 189 W HA 0.089 4.743 4.660 -0.009 0.000 0.257 189 W C 1.138 177.693 176.519 0.061 0.000 1.308 189 W CA -0.462 56.891 57.345 0.013 0.000 1.529 189 W CB -0.041 29.431 29.460 0.020 0.000 1.115 189 W HN 0.041 nan 8.180 nan 0.000 0.659 190 E N 1.259 121.619 120.200 0.268 0.000 2.227 190 E HA 0.462 4.806 4.350 -0.010 0.000 0.268 190 E C -0.739 176.025 176.600 0.272 0.000 0.990 190 E CA -1.018 55.557 56.400 0.291 0.000 0.856 190 E CB 1.573 31.460 29.700 0.312 0.000 1.159 190 E HN -0.317 nan 8.360 nan 0.000 0.401 191 K N 1.370 121.951 120.400 0.301 0.000 2.535 191 K HA 0.427 4.741 4.320 -0.010 0.000 0.253 191 K C -1.222 175.413 176.600 0.059 0.000 0.953 191 K CA -0.459 55.942 56.287 0.191 0.000 0.863 191 K CB 1.554 34.178 32.500 0.205 0.000 1.111 191 K HN 0.676 nan 8.250 nan 0.000 0.431 192 A N 4.305 127.069 122.820 -0.093 0.000 2.520 192 A HA 0.314 4.628 4.320 -0.010 0.000 0.245 192 A C -0.266 177.147 177.584 -0.285 0.000 1.072 192 A CA -0.069 51.662 52.037 -0.510 0.000 0.761 192 A CB 0.186 18.867 19.000 -0.532 0.000 1.004 192 A HN 0.665 nan 8.150 nan 0.000 0.499 193 R N 3.515 123.846 120.500 -0.282 0.000 2.868 193 R HA 0.204 4.538 4.340 -0.010 0.000 0.289 193 R C -2.332 173.890 176.300 -0.131 0.000 1.443 193 R CA -1.726 54.306 56.100 -0.112 0.000 1.651 193 R CB 0.678 31.067 30.300 0.148 0.000 1.242 193 R HN 0.572 nan 8.270 nan 0.000 0.621 194 P HA -0.183 nan 4.420 nan 0.000 0.221 194 P C 0.949 178.170 177.300 -0.132 0.000 1.145 194 P CA 1.089 64.119 63.100 -0.117 0.000 0.795 194 P CB 0.372 32.006 31.700 -0.110 0.000 0.775 195 E N 0.181 120.206 120.200 -0.291 0.000 2.338 195 E HA -0.148 4.196 4.350 -0.010 0.000 0.197 195 E C 0.890 177.241 176.600 -0.416 0.000 1.007 195 E CA 0.870 57.014 56.400 -0.427 0.000 0.849 195 E CB -1.027 28.279 29.700 -0.655 0.000 0.774 195 E HN 0.363 nan 8.360 nan 0.000 0.506 196 F N 1.851 121.817 119.950 0.026 0.000 2.684 196 F HA 0.227 4.749 4.527 -0.010 0.000 0.298 196 F C 0.498 176.390 175.800 0.153 0.000 1.120 196 F CA -0.602 57.444 58.000 0.076 0.000 1.332 196 F CB 0.552 39.593 39.000 0.068 0.000 0.986 196 F HN -0.284 nan 8.300 nan 0.000 0.524 197 T N 2.858 117.549 114.554 0.227 0.000 2.928 197 T HA 0.232 4.576 4.350 -0.010 0.000 0.305 197 T C -0.285 174.509 174.700 0.157 0.000 1.035 197 T CA 0.318 62.547 62.100 0.215 0.000 1.145 197 T CB 0.824 69.768 68.868 0.128 0.000 0.963 197 T HN -0.129 nan 8.240 nan 0.000 0.545 198 L N 5.535 126.815 121.223 0.096 0.000 2.381 198 L HA 0.551 4.885 4.340 -0.010 0.000 0.268 198 L C -2.243 174.569 176.870 -0.097 0.000 0.997 198 L CA -2.615 52.209 54.840 -0.027 0.000 0.818 198 L CB 1.957 43.930 42.059 -0.143 0.000 1.310 198 L HN 0.384 nan 8.230 nan 0.000 0.416 199 P HA 0.371 nan 4.420 nan 0.000 0.284 199 P C -1.136 176.007 177.300 -0.262 0.000 1.253 199 P CA -0.355 62.645 63.100 -0.167 0.000 0.800 199 P CB 1.660 33.257 31.700 -0.172 0.000 0.961 200 V N 3.774 123.516 119.914 -0.285 0.000 2.604 200 V HA 0.331 4.446 4.120 -0.010 0.000 0.305 200 V C 0.120 175.967 176.094 -0.413 0.000 1.043 200 V CA -0.615 61.497 62.300 -0.314 0.000 0.888 200 V CB 1.514 33.199 31.823 -0.229 0.000 0.995 200 V HN 0.602 nan 8.190 nan 0.000 0.429 201 H N 3.769 122.672 119.070 -0.278 0.000 2.472 201 H HA 0.628 5.178 4.556 -0.010 0.000 0.338 201 H C -1.285 173.781 175.328 -0.435 0.000 1.133 201 H CA -0.151 55.676 56.048 -0.368 0.000 1.216 201 H CB 1.909 31.238 29.762 -0.721 0.000 1.497 201 H HN 0.480 nan 8.280 nan 0.000 0.500 202 F N 0.301 120.337 119.950 0.144 0.000 2.613 202 F HA 0.220 4.741 4.527 -0.010 0.000 0.314 202 F C -0.228 175.718 175.800 0.243 0.000 1.075 202 F CA -0.560 57.531 58.000 0.152 0.000 0.945 202 F CB 1.099 40.097 39.000 -0.004 0.000 1.310 202 F HN 0.556 nan 8.300 nan 0.000 0.467 203 Y N 0.146 120.754 120.300 0.514 0.000 2.904 203 Y HA -0.008 4.536 4.550 -0.010 0.000 0.466 203 Y C 1.345 177.500 175.900 0.425 0.000 1.202 203 Y CA 0.664 58.982 58.100 0.363 0.000 2.492 203 Y CB -1.904 36.698 38.460 0.237 0.000 1.237 203 Y HN 1.286 nan 8.280 nan 0.000 0.633 204 G N 0.631 109.711 108.800 0.467 0.000 2.593 204 G HA2 0.079 4.033 3.960 -0.010 0.000 0.237 204 G HA3 0.079 4.033 3.960 -0.010 0.000 0.237 204 G C -0.591 174.522 174.900 0.355 0.000 1.312 204 G CA 0.837 46.131 45.100 0.323 0.000 0.896 204 G HN 1.351 nan 8.290 nan 0.000 0.574 205 R N -2.445 118.258 120.500 0.338 0.000 2.734 205 R HA 0.723 5.057 4.340 -0.010 0.000 0.271 205 R C -1.334 175.112 176.300 0.244 0.000 1.021 205 R CA -1.007 55.240 56.100 0.245 0.000 0.893 205 R CB 1.449 31.840 30.300 0.151 0.000 1.244 205 R HN 0.857 nan 8.270 nan 0.000 0.464 206 V N 1.072 121.050 119.914 0.107 0.000 2.394 206 V HA 0.343 4.457 4.120 -0.010 0.000 0.282 206 V C -0.159 175.897 176.094 -0.063 0.000 1.031 206 V CA -0.547 61.747 62.300 -0.010 0.000 0.881 206 V CB 1.329 33.078 31.823 -0.122 0.000 0.982 206 V HN 0.683 nan 8.190 nan 0.000 0.451 207 E N 3.027 123.161 120.200 -0.111 0.000 2.179 207 E HA 0.421 4.765 4.350 -0.010 0.000 0.275 207 E C -0.994 175.469 176.600 -0.229 0.000 0.945 207 E CA -0.716 55.632 56.400 -0.087 0.000 0.792 207 E CB 1.206 30.898 29.700 -0.013 0.000 1.125 207 E HN 0.672 nan 8.360 nan 0.000 0.397 208 H N 2.411 121.495 119.070 0.024 0.000 2.661 208 H HA 0.163 4.714 4.556 -0.010 0.000 0.290 208 H C 0.097 175.433 175.328 0.014 0.000 1.082 208 H CA -0.306 55.751 56.048 0.015 0.000 1.234 208 H CB 0.856 30.623 29.762 0.007 0.000 1.387 208 H HN 0.528 nan 8.280 nan 0.000 0.476 209 T N -0.837 113.766 114.554 0.082 0.000 2.897 209 T HA 0.114 4.458 4.350 -0.010 0.000 0.278 209 T C 1.729 176.463 174.700 0.058 0.000 0.981 209 T CA -0.268 61.866 62.100 0.057 0.000 0.973 209 T CB 1.357 70.243 68.868 0.030 0.000 1.092 209 T HN 0.461 nan 8.240 nan 0.000 0.543 210 S N 0.096 115.820 115.700 0.041 0.000 2.380 210 S HA -0.190 4.274 4.470 -0.010 0.000 0.229 210 S C 1.090 175.710 174.600 0.034 0.000 1.043 210 S CA 1.035 59.255 58.200 0.034 0.000 1.038 210 S CB -0.703 62.512 63.200 0.024 0.000 0.872 210 S HN 0.685 nan 8.310 nan 0.000 0.456 211 Q N 1.897 121.716 119.800 0.031 0.000 2.834 211 Q HA 0.613 4.947 4.340 -0.010 0.000 0.271 211 Q C 0.491 176.510 176.000 0.031 0.000 1.196 211 Q CA 0.535 56.356 55.803 0.029 0.000 1.063 211 Q CB 0.324 29.075 28.738 0.022 0.000 1.265 211 Q HN 0.722 nan 8.270 nan 0.000 0.526 212 G N 0.494 109.322 108.800 0.047 0.000 2.760 212 G HA2 0.017 3.971 3.960 -0.010 0.000 0.246 212 G HA3 0.017 3.971 3.960 -0.010 0.000 0.246 212 G C -0.552 174.368 174.900 0.033 0.000 1.359 212 G CA -0.655 44.476 45.100 0.052 0.000 0.861 212 G HN 0.708 nan 8.290 nan 0.000 0.541 213 A N -0.084 122.735 122.820 -0.002 0.000 2.322 213 A HA 0.774 5.088 4.320 -0.010 0.000 0.269 213 A C 0.410 177.934 177.584 -0.100 0.000 1.094 213 A CA 0.500 52.449 52.037 -0.147 0.000 0.807 213 A CB 0.795 19.674 19.000 -0.202 0.000 1.047 213 A HN 0.872 nan 8.150 nan 0.000 0.487 214 K N 0.420 120.749 120.400 -0.119 0.000 2.507 214 K HA 0.240 4.554 4.320 -0.010 0.000 0.251 214 K C -1.870 174.762 176.600 0.053 0.000 0.943 214 K CA -0.275 55.997 56.287 -0.025 0.000 0.794 214 K CB 1.886 34.374 32.500 -0.021 0.000 1.188 214 K HN 0.707 nan 8.250 nan 0.000 0.428 215 W N 5.822 127.040 121.300 -0.137 0.000 2.311 215 W HA 0.389 5.043 4.660 -0.010 0.000 0.317 215 W C -0.832 175.626 176.519 -0.102 0.000 1.065 215 W CA -0.825 56.447 57.345 -0.122 0.000 1.364 215 W CB 0.271 29.647 29.460 -0.140 0.000 1.233 215 W HN 0.300 nan 8.180 nan 0.000 0.409 216 V N 2.727 122.688 119.914 0.077 0.000 3.113 216 V HA 0.615 4.729 4.120 -0.010 0.000 0.316 216 V C -0.186 175.882 176.094 -0.042 0.000 1.125 216 V CA -0.975 61.297 62.300 -0.046 0.000 1.026 216 V CB 1.983 33.809 31.823 0.005 0.000 1.080 216 V HN 0.453 nan 8.190 nan 0.000 0.444 217 D N 0.171 120.546 120.400 -0.041 0.000 2.772 217 D HA -0.137 4.497 4.640 -0.010 0.000 0.233 217 D C 0.525 176.830 176.300 0.008 0.000 1.143 217 D CA 1.515 55.515 54.000 0.000 0.000 0.700 217 D CB -1.695 39.127 40.800 0.037 0.000 1.076 217 D HN 1.301 nan 8.370 nan 0.000 0.430 218 T N -2.942 111.572 114.554 -0.066 0.000 2.899 218 T HA 0.373 4.717 4.350 -0.010 0.000 0.284 218 T C 0.333 175.093 174.700 0.099 0.000 1.004 218 T CA -0.824 61.255 62.100 -0.036 0.000 1.043 218 T CB 2.450 71.138 68.868 -0.299 0.000 1.013 218 T HN 0.186 nan 8.240 nan 0.000 0.518 219 Q N 0.966 120.897 119.800 0.219 0.000 2.243 219 Q HA 0.490 4.824 4.340 -0.010 0.000 0.252 219 Q C -1.358 174.784 176.000 0.236 0.000 0.909 219 Q CA -0.776 55.183 55.803 0.259 0.000 0.922 219 Q CB 1.005 29.981 28.738 0.397 0.000 1.215 219 Q HN 0.628 nan 8.270 nan 0.000 0.427 220 V N 4.505 124.517 119.914 0.164 0.000 2.435 220 V HA 0.420 4.534 4.120 -0.010 0.000 0.290 220 V C -0.380 175.810 176.094 0.160 0.000 1.030 220 V CA -0.642 61.676 62.300 0.030 0.000 0.881 220 V CB 1.621 33.403 31.823 -0.068 0.000 0.983 220 V HN 0.597 nan 8.190 nan 0.000 0.445 221 V N 5.996 126.012 119.914 0.171 0.000 2.604 221 V HA 0.486 4.600 4.120 -0.010 0.000 0.305 221 V C -0.160 176.033 176.094 0.165 0.000 1.043 221 V CA -0.637 61.783 62.300 0.201 0.000 0.888 221 V CB 1.936 33.955 31.823 0.327 0.000 0.995 221 V HN 0.644 nan 8.190 nan 0.000 0.429 222 L N 3.553 124.862 121.223 0.144 0.000 2.350 222 L HA 0.733 5.067 4.340 -0.010 0.000 0.275 222 L C 0.471 177.510 176.870 0.281 0.000 1.099 222 L CA -0.321 54.602 54.840 0.138 0.000 0.808 222 L CB 1.324 43.443 42.059 0.100 0.000 1.149 222 L HN 0.759 nan 8.230 nan 0.000 0.442 223 A N 5.115 128.041 122.820 0.177 0.000 2.267 223 A HA 0.559 4.873 4.320 -0.010 0.000 0.315 223 A C -0.457 177.375 177.584 0.413 0.000 1.297 223 A CA -0.467 51.705 52.037 0.225 0.000 0.865 223 A CB 0.830 19.512 19.000 -0.531 0.000 1.165 223 A HN 0.782 nan 8.150 nan 0.000 0.513 224 M N 5.909 125.815 119.600 0.511 0.000 2.113 224 M HA 0.437 4.911 4.480 -0.010 0.000 0.352 224 M C -2.575 174.007 176.300 0.470 0.000 1.170 224 M CA -2.136 53.417 55.300 0.422 0.000 1.053 224 M CB 1.845 34.612 32.600 0.279 0.000 1.601 224 M HN 0.333 nan 8.290 nan 0.000 0.459 225 P HA 0.250 nan 4.420 nan 0.000 0.284 225 P C -1.932 175.334 177.300 -0.058 0.000 1.253 225 P CA 0.018 63.072 63.100 -0.076 0.000 0.800 225 P CB 0.478 31.963 31.700 -0.357 0.000 0.961 226 Y N 0.654 120.909 120.300 -0.076 0.000 2.341 226 Y HA 0.356 4.900 4.550 -0.010 0.000 0.338 226 Y C 0.250 176.138 175.900 -0.019 0.000 0.965 226 Y CA -0.277 57.824 58.100 0.003 0.000 1.108 226 Y CB 1.349 39.840 38.460 0.052 0.000 1.180 226 Y HN 0.226 nan 8.280 nan 0.000 0.458 227 D N 1.745 122.256 120.400 0.186 0.000 2.217 227 D HA 0.417 5.051 4.640 -0.010 0.000 0.243 227 D C -0.666 175.857 176.300 0.371 0.000 1.054 227 D CA -0.286 53.855 54.000 0.236 0.000 0.838 227 D CB 1.771 42.725 40.800 0.256 0.000 1.162 227 D HN 0.375 nan 8.370 nan 0.000 0.472 228 T N 3.157 117.842 114.554 0.218 0.000 2.807 228 T HA 0.484 4.828 4.350 -0.010 0.000 0.279 228 T C -2.523 172.041 174.700 -0.226 0.000 0.993 228 T CA -1.486 60.648 62.100 0.056 0.000 0.970 228 T CB 2.015 70.904 68.868 0.035 0.000 0.950 228 T HN 0.167 nan 8.240 nan 0.000 0.441 229 P HA 0.332 nan 4.420 nan 0.000 0.275 229 P C -1.021 175.967 177.300 -0.520 0.000 1.227 229 P CA -0.417 62.048 63.100 -1.058 0.000 0.781 229 P CB 0.838 31.681 31.700 -1.429 0.000 0.906 230 V N 4.867 124.530 119.914 -0.418 0.000 2.340 230 V HA 0.262 4.376 4.120 -0.010 0.000 0.277 230 V C -2.108 173.856 176.094 -0.217 0.000 1.017 230 V CA -1.881 60.263 62.300 -0.259 0.000 0.820 230 V CB 1.338 33.053 31.823 -0.179 0.000 1.028 230 V HN 0.544 nan 8.190 nan 0.000 0.436 231 P HA 0.286 nan 4.420 nan 0.000 0.280 231 P C 0.347 177.597 177.300 -0.084 0.000 1.244 231 P CA 0.277 63.289 63.100 -0.147 0.000 0.784 231 P CB 1.616 33.227 31.700 -0.148 0.000 0.913 232 G N 1.988 110.756 108.800 -0.053 0.000 2.599 232 G HA2 0.160 4.114 3.960 -0.010 0.000 0.264 232 G HA3 0.160 4.114 3.960 -0.010 0.000 0.264 232 G C -1.186 173.727 174.900 0.021 0.000 1.200 232 G CA -0.598 44.500 45.100 -0.004 0.000 0.896 232 G HN 0.510 nan 8.290 nan 0.000 0.536 233 Y N 0.599 120.861 120.300 -0.064 0.000 2.584 233 Y HA 0.253 4.797 4.550 -0.010 0.000 0.351 233 Y C 1.266 177.128 175.900 -0.062 0.000 1.030 233 Y CA -0.156 57.902 58.100 -0.070 0.000 1.332 233 Y CB 0.118 38.535 38.460 -0.071 0.000 1.148 233 Y HN 0.723 nan 8.280 nan 0.000 0.528 234 R N 2.646 122.855 120.500 -0.484 0.000 3.741 234 R HA -0.321 4.013 4.340 -0.010 0.000 0.292 234 R C 0.126 176.290 176.300 -0.226 0.000 1.176 234 R CA 1.518 57.353 56.100 -0.443 0.000 0.794 234 R CB -1.932 27.942 30.300 -0.710 0.000 1.213 234 R HN 0.945 nan 8.270 nan 0.000 0.494 235 N N -1.294 117.324 118.700 -0.137 0.000 2.171 235 N HA 0.057 4.791 4.740 -0.010 0.000 0.212 235 N C -0.181 175.284 175.510 -0.076 0.000 1.184 235 N CA -0.266 52.735 53.050 -0.082 0.000 0.888 235 N CB 0.491 38.954 38.487 -0.039 0.000 1.038 235 N HN 0.093 nan 8.380 nan 0.000 0.517 236 N N -0.188 118.462 118.700 -0.082 0.000 2.753 236 N HA -0.135 4.599 4.740 -0.010 0.000 0.251 236 N C -0.920 174.551 175.510 -0.065 0.000 1.097 236 N CA 0.622 53.631 53.050 -0.068 0.000 0.786 236 N CB -1.348 37.100 38.487 -0.065 0.000 1.137 236 N HN 0.186 nan 8.380 nan 0.000 0.566 237 V N 1.167 121.047 119.914 -0.057 0.000 2.498 237 V HA 0.399 4.513 4.120 -0.010 0.000 0.279 237 V C 0.678 176.743 176.094 -0.048 0.000 1.048 237 V CA -0.429 61.844 62.300 -0.044 0.000 0.967 237 V CB 2.078 33.900 31.823 -0.002 0.000 0.988 237 V HN -0.028 nan 8.190 nan 0.000 0.473 238 V N 5.348 125.238 119.914 -0.039 0.000 2.419 238 V HA 0.424 4.538 4.120 -0.010 0.000 0.287 238 V C -0.100 175.985 176.094 -0.015 0.000 1.017 238 V CA -0.827 61.419 62.300 -0.091 0.000 0.844 238 V CB 1.434 33.171 31.823 -0.143 0.000 1.011 238 V HN 0.849 nan 8.190 nan 0.000 0.429 239 N N 1.994 120.660 118.700 -0.057 0.000 2.418 239 N HA 0.575 5.309 4.740 -0.010 0.000 0.283 239 N C -0.034 175.466 175.510 -0.017 0.000 1.267 239 N CA -0.288 52.753 53.050 -0.016 0.000 0.975 239 N CB 1.164 39.600 38.487 -0.086 0.000 1.167 239 N HN 0.579 nan 8.380 nan 0.000 0.581 240 T N 0.678 115.233 114.554 0.002 0.000 2.841 240 T HA 0.408 4.752 4.350 -0.010 0.000 0.283 240 T C -0.269 174.399 174.700 -0.052 0.000 1.000 240 T CA -0.525 61.644 62.100 0.116 0.000 0.977 240 T CB 1.155 70.216 68.868 0.321 0.000 0.979 240 T HN 0.306 nan 8.240 nan 0.000 0.446 241 M N 3.662 123.197 119.600 -0.107 0.000 2.101 241 M HA 0.512 4.986 4.480 -0.010 0.000 0.340 241 M C -0.532 175.623 176.300 -0.243 0.000 1.057 241 M CA -0.740 54.404 55.300 -0.259 0.000 0.984 241 M CB 0.790 33.177 32.600 -0.355 0.000 1.560 241 M HN 0.498 nan 8.290 nan 0.000 0.435 242 R N 5.916 126.163 120.500 -0.422 0.000 2.265 242 R HA 0.629 4.963 4.340 -0.010 0.000 0.328 242 R C -1.960 174.058 176.300 -0.469 0.000 0.969 242 R CA -0.436 55.372 56.100 -0.486 0.000 0.832 242 R CB 0.905 30.743 30.300 -0.770 0.000 1.139 242 R HN 0.819 nan 8.270 nan 0.000 0.457 243 L N 5.095 126.146 121.223 -0.286 0.000 2.333 243 L HA 0.498 4.832 4.340 -0.010 0.000 0.280 243 L C -0.837 176.000 176.870 -0.054 0.000 1.004 243 L CA -0.903 53.866 54.840 -0.120 0.000 0.820 243 L CB 1.496 43.567 42.059 0.020 0.000 1.247 243 L HN 0.586 nan 8.230 nan 0.000 0.416 244 W N 1.923 123.349 121.300 0.210 0.000 2.315 244 W HA 0.481 5.135 4.660 -0.010 0.000 0.316 244 W C 0.575 177.323 176.519 0.381 0.000 1.211 244 W CA -0.199 57.293 57.345 0.244 0.000 1.201 244 W CB 1.466 30.932 29.460 0.010 0.000 1.184 244 W HN 0.351 nan 8.180 nan 0.000 0.544 245 S N 1.920 118.029 115.700 0.681 0.000 2.482 245 S HA 0.777 5.241 4.470 -0.010 0.000 0.303 245 S C -0.484 174.446 174.600 0.550 0.000 1.091 245 S CA -0.728 57.774 58.200 0.503 0.000 1.057 245 S CB 0.682 64.124 63.200 0.404 0.000 1.031 245 S HN 0.534 nan 8.310 nan 0.000 0.485 246 A N 4.831 127.811 122.820 0.267 0.000 2.366 246 A HA 0.659 4.973 4.320 -0.010 0.000 0.272 246 A C -0.163 177.478 177.584 0.094 0.000 1.135 246 A CA -0.311 51.780 52.037 0.090 0.000 0.804 246 A CB 0.348 19.134 19.000 -0.356 0.000 1.064 246 A HN 0.669 nan 8.150 nan 0.000 0.499 247 K N 1.152 121.621 120.400 0.115 0.000 2.427 247 K HA 0.606 4.920 4.320 -0.010 0.000 0.252 247 K C -0.437 176.148 176.600 -0.025 0.000 0.931 247 K CA -0.430 55.886 56.287 0.047 0.000 0.793 247 K CB 2.268 34.825 32.500 0.095 0.000 1.211 247 K HN 0.832 nan 8.250 nan 0.000 0.426 248 A N 3.983 126.722 122.820 -0.134 0.000 2.388 248 A HA 0.490 4.804 4.320 -0.010 0.000 0.257 248 A C -2.229 175.316 177.584 -0.065 0.000 1.095 248 A CA -1.040 50.842 52.037 -0.258 0.000 0.791 248 A CB -0.276 18.372 19.000 -0.586 0.000 1.029 248 A HN 0.302 nan 8.150 nan 0.000 0.489 249 P HA 0.159 nan 4.420 nan 0.000 0.272 249 P C 0.191 177.571 177.300 0.133 0.000 1.230 249 P CA -0.338 62.823 63.100 0.101 0.000 0.788 249 P CB 0.514 32.301 31.700 0.147 0.000 0.949 250 N N 0.864 119.625 118.700 0.103 0.000 2.396 250 N HA -0.115 4.620 4.740 -0.010 0.000 0.180 250 N C 0.649 176.235 175.510 0.126 0.000 1.028 250 N CA 0.964 54.075 53.050 0.103 0.000 0.893 250 N CB -0.468 38.063 38.487 0.074 0.000 0.967 250 N HN 0.521 nan 8.380 nan 0.000 0.440 251 D N -0.990 119.486 120.400 0.126 0.000 2.336 251 D HA -0.065 4.569 4.640 -0.010 0.000 0.228 251 D C -0.054 176.321 176.300 0.125 0.000 1.120 251 D CA -0.535 53.529 54.000 0.108 0.000 0.839 251 D CB -1.067 39.776 40.800 0.073 0.000 0.932 251 D HN 0.080 nan 8.370 nan 0.000 0.509 252 F N 1.915 121.880 119.950 0.026 0.000 2.578 252 F HA 0.089 4.611 4.527 -0.010 0.000 0.381 252 F C 0.830 176.637 175.800 0.012 0.000 1.069 252 F CA 0.223 58.235 58.000 0.020 0.000 1.231 252 F CB 0.209 39.220 39.000 0.019 0.000 1.086 252 F HN -0.165 nan 8.300 nan 0.000 0.564 253 N N 2.168 120.509 118.700 -0.598 0.000 2.809 253 N HA -0.293 4.441 4.740 -0.010 0.000 0.244 253 N C -0.660 174.768 175.510 -0.135 0.000 1.018 253 N CA 1.730 54.546 53.050 -0.390 0.000 0.917 253 N CB -1.224 37.065 38.487 -0.329 0.000 1.130 253 N HN 0.543 nan 8.380 nan 0.000 0.591 262 Y N 1.789 122.094 120.300 0.009 0.000 2.128 262 Y HA -0.052 4.493 4.550 -0.010 0.000 0.284 262 Y C 2.707 178.620 175.900 0.023 0.000 1.154 262 Y CA 2.329 60.438 58.100 0.015 0.000 1.149 262 Y CB -0.138 38.330 38.460 0.013 0.000 0.976 262 Y HN 0.197 nan 8.280 nan 0.000 0.505 263 I N 0.528 121.022 120.570 -0.128 0.000 2.163 263 I HA -0.307 3.857 4.170 -0.010 0.000 0.243 263 I C 2.398 178.414 176.117 -0.169 0.000 1.085 263 I CA 1.815 62.991 61.300 -0.207 0.000 1.347 263 I CB -1.511 36.477 38.000 -0.019 0.000 1.044 263 I HN 0.336 nan 8.210 nan 0.000 0.408 264 Q N 1.101 120.854 119.800 -0.078 0.000 2.096 264 Q HA -0.126 4.208 4.340 -0.010 0.000 0.204 264 Q C 2.248 178.219 176.000 -0.048 0.000 0.982 264 Q CA 2.260 58.035 55.803 -0.046 0.000 0.850 264 Q CB -0.394 28.334 28.738 -0.017 0.000 0.901 264 Q HN 0.482 nan 8.270 nan 0.000 0.422 265 A N -0.773 122.003 122.820 -0.073 0.000 1.908 265 A HA -0.160 4.155 4.320 -0.010 0.000 0.218 265 A C 2.263 179.838 177.584 -0.014 0.000 1.181 265 A CA 1.783 53.793 52.037 -0.044 0.000 0.627 265 A CB -0.850 18.120 19.000 -0.050 0.000 0.818 265 A HN 0.270 nan 8.150 nan 0.000 0.445 266 V N 0.145 119.965 119.914 -0.156 0.000 2.358 266 V HA -0.228 3.886 4.120 -0.010 0.000 0.246 266 V C 2.514 178.581 176.094 -0.045 0.000 1.047 266 V CA 1.820 64.042 62.300 -0.130 0.000 1.035 266 V CB -0.751 30.895 31.823 -0.294 0.000 0.658 266 V HN 0.568 nan 8.190 nan 0.000 0.452 267 L N -0.188 121.004 121.223 -0.051 0.000 2.191 267 L HA -0.149 4.185 4.340 -0.010 0.000 0.212 267 L C 2.005 178.891 176.870 0.026 0.000 1.103 267 L CA 1.226 56.057 54.840 -0.016 0.000 0.769 267 L CB -0.657 41.390 42.059 -0.019 0.000 0.908 267 L HN 0.339 nan 8.230 nan 0.000 0.438 268 D N -0.046 120.400 120.400 0.076 0.000 2.371 268 D HA -0.068 4.566 4.640 -0.010 0.000 0.221 268 D C 2.135 178.578 176.300 0.237 0.000 0.986 268 D CA 0.431 54.528 54.000 0.163 0.000 0.899 268 D CB 0.026 40.938 40.800 0.188 0.000 0.902 268 D HN 0.220 nan 8.370 nan 0.000 0.530 269 R N 0.477 121.038 120.500 0.101 0.000 2.159 269 R HA -0.065 4.269 4.340 -0.010 0.000 0.237 269 R C 1.593 177.757 176.300 -0.227 0.000 1.131 269 R CA 0.661 56.629 56.100 -0.219 0.000 0.982 269 R CB -0.080 30.132 30.300 -0.147 0.000 0.868 269 R HN 0.161 nan 8.270 nan 0.000 0.453 270 N N 0.659 119.312 118.700 -0.078 0.000 2.205 270 N HA -0.157 4.577 4.740 -0.010 0.000 0.186 270 N C 1.537 177.015 175.510 -0.053 0.000 1.015 270 N CA 1.064 54.082 53.050 -0.052 0.000 0.862 270 N CB -0.134 38.348 38.487 -0.009 0.000 0.986 270 N HN 0.091 nan 8.380 nan 0.000 0.429 271 L N 1.136 122.343 121.223 -0.027 0.000 2.046 271 L HA -0.070 4.264 4.340 -0.010 0.000 0.208 271 L C 2.407 179.248 176.870 -0.049 0.000 1.077 271 L CA 1.330 56.174 54.840 0.006 0.000 0.747 271 L CB -1.269 40.849 42.059 0.099 0.000 0.896 271 L HN 0.111 nan 8.230 nan 0.000 0.432 272 A N -0.861 121.864 122.820 -0.158 0.000 1.930 272 A HA -0.177 4.137 4.320 -0.010 0.000 0.217 272 A C 2.146 179.621 177.584 -0.180 0.000 1.175 272 A CA 1.455 53.371 52.037 -0.202 0.000 0.627 272 A CB -0.445 18.299 19.000 -0.427 0.000 0.815 272 A HN 0.527 nan 8.150 nan 0.000 0.443 273 E N -0.047 120.053 120.200 -0.166 0.000 2.435 273 E HA -0.059 4.285 4.350 -0.010 0.000 0.195 273 E C 0.989 177.549 176.600 -0.066 0.000 1.029 273 E CA 0.138 56.472 56.400 -0.110 0.000 0.865 273 E CB -0.110 29.542 29.700 -0.081 0.000 0.833 273 E HN 0.461 nan 8.360 nan 0.000 0.510 274 N N 1.021 119.689 118.700 -0.053 0.000 2.443 274 N HA -0.090 4.644 4.740 -0.010 0.000 0.184 274 N C 1.607 177.113 175.510 -0.006 0.000 1.037 274 N CA 0.621 53.668 53.050 -0.005 0.000 0.896 274 N CB -0.029 38.460 38.487 0.004 0.000 0.959 274 N HN 0.259 nan 8.380 nan 0.000 0.442 275 I N 0.433 120.942 120.570 -0.101 0.000 2.194 275 I HA -0.263 3.901 4.170 -0.010 0.000 0.246 275 I C 1.516 177.604 176.117 -0.048 0.000 1.093 275 I CA 1.333 62.545 61.300 -0.147 0.000 1.355 275 I CB -0.228 37.517 38.000 -0.425 0.000 1.046 275 I HN 0.135 nan 8.210 nan 0.000 0.413 276 S N -0.420 115.241 115.700 -0.064 0.000 2.582 276 S HA 0.170 4.634 4.470 -0.010 0.000 0.234 276 S C 1.506 176.240 174.600 0.222 0.000 0.961 276 S CA -0.490 57.761 58.200 0.085 0.000 0.953 276 S CB 0.194 63.425 63.200 0.052 0.000 0.800 276 S HN 0.214 nan 8.310 nan 0.000 0.471 277 R N 1.273 121.905 120.500 0.219 0.000 2.073 277 R HA 0.263 4.597 4.340 -0.010 0.000 0.229 277 R C 0.368 176.915 176.300 0.412 0.000 1.120 277 R CA 1.129 57.397 56.100 0.281 0.000 0.967 277 R CB -0.226 30.202 30.300 0.214 0.000 0.862 277 R HN 0.394 nan 8.270 nan 0.000 0.436 278 V N 0.373 120.490 119.914 0.338 0.000 2.851 278 V HA 0.334 4.449 4.120 -0.010 0.000 0.307 278 V C -1.581 174.450 176.094 -0.105 0.000 1.129 278 V CA -1.381 61.031 62.300 0.186 0.000 0.932 278 V CB 1.747 33.607 31.823 0.061 0.000 1.024 278 V HN 0.151 nan 8.190 nan 0.000 0.426 279 L N 6.961 127.889 121.223 -0.492 0.000 2.462 279 L HA 0.418 4.752 4.340 -0.010 0.000 0.272 279 L C -0.796 175.896 176.870 -0.297 0.000 1.166 279 L CA 0.539 54.881 54.840 -0.829 0.000 0.880 279 L CB 0.295 41.856 42.059 -0.831 0.000 1.142 279 L HN 0.679 nan 8.230 nan 0.000 0.473 280 Y N 7.304 127.500 120.300 -0.175 0.000 2.569 280 Y HA 0.187 4.731 4.550 -0.010 0.000 0.332 280 Y C -1.287 174.601 175.900 -0.021 0.000 1.120 280 Y CA -1.017 57.060 58.100 -0.038 0.000 1.416 280 Y CB 0.396 38.862 38.460 0.010 0.000 1.210 280 Y HN 0.594 nan 8.280 nan 0.000 0.528 281 P HA -0.014 nan 4.420 nan 0.000 0.262 281 P C -0.295 177.137 177.300 0.221 0.000 1.304 281 P CA 0.216 63.423 63.100 0.179 0.000 0.859 281 P CB 0.323 32.216 31.700 0.322 0.000 1.310 282 N N 2.385 121.219 118.700 0.224 0.000 2.469 282 N HA 0.017 4.752 4.740 -0.010 0.000 0.239 282 N C 0.180 175.813 175.510 0.205 0.000 1.053 282 N CA 0.030 53.209 53.050 0.215 0.000 0.937 282 N CB 0.283 38.893 38.487 0.205 0.000 1.163 282 N HN -0.024 nan 8.380 nan 0.000 0.509 283 D N 1.853 122.403 120.400 0.250 0.000 2.402 283 D HA -0.011 4.623 4.640 -0.010 0.000 0.216 283 D C 0.649 177.174 176.300 0.375 0.000 1.128 283 D CA -0.019 54.152 54.000 0.285 0.000 0.833 283 D CB -0.083 40.905 40.800 0.313 0.000 0.971 283 D HN 0.584 nan 8.370 nan 0.000 0.503 284 N N -0.280 118.612 118.700 0.321 0.000 2.516 284 N HA 0.026 4.761 4.740 -0.010 0.000 0.197 284 N C -0.480 175.160 175.510 0.217 0.000 1.064 284 N CA -0.181 53.040 53.050 0.284 0.000 0.866 284 N CB 0.378 38.894 38.487 0.049 0.000 1.255 284 N HN 0.106 nan 8.380 nan 0.000 0.447 285 F N 0.987 120.948 119.950 0.017 0.000 2.557 285 F HA 0.446 4.967 4.527 -0.010 0.000 0.316 285 F C -1.210 174.616 175.800 0.045 0.000 1.141 285 F CA -1.421 56.584 58.000 0.009 0.000 0.922 285 F CB 1.685 40.644 39.000 -0.068 0.000 1.194 285 F HN -0.109 nan 8.300 nan 0.000 0.443 286 F N 6.008 125.689 119.950 -0.449 0.000 2.504 286 F HA 0.241 4.762 4.527 -0.010 0.000 0.369 286 F C 0.842 176.481 175.800 -0.268 0.000 1.082 286 F CA 0.475 58.260 58.000 -0.358 0.000 1.216 286 F CB 0.825 39.559 39.000 -0.442 0.000 1.108 286 F HN 0.689 nan 8.300 nan 0.000 0.554 287 E N 3.382 123.071 120.200 -0.851 0.000 2.340 287 E HA 0.164 4.508 4.350 -0.010 0.000 0.198 287 E C 1.190 177.319 176.600 -0.786 0.000 0.961 287 E CA 0.437 56.519 56.400 -0.530 0.000 0.905 287 E CB 0.356 29.949 29.700 -0.178 0.000 0.884 287 E HN 1.017 nan 8.360 nan 0.000 0.491 288 G N 2.754 110.660 108.800 -1.491 0.000 2.256 288 G HA2 -0.220 3.734 3.960 -0.010 0.000 0.272 288 G HA3 -0.220 3.734 3.960 -0.010 0.000 0.272 288 G C -0.190 174.647 174.900 -0.105 0.000 1.076 288 G CA 0.050 44.599 45.100 -0.917 0.000 0.882 288 G HN -0.084 nan 8.290 nan 0.000 0.497 289 K N 0.104 120.468 120.400 -0.060 0.000 2.205 289 K HA 0.263 4.577 4.320 -0.010 0.000 0.279 289 K C 1.240 177.966 176.600 0.211 0.000 1.027 289 K CA -0.450 55.894 56.287 0.094 0.000 0.932 289 K CB 1.506 34.045 32.500 0.066 0.000 1.032 289 K HN 0.457 nan 8.250 nan 0.000 0.466 290 E N 1.857 122.153 120.200 0.159 0.000 2.085 290 E HA -0.211 4.133 4.350 -0.010 0.000 0.194 290 E C 1.553 178.185 176.600 0.053 0.000 0.994 290 E CA 0.990 57.444 56.400 0.090 0.000 0.801 290 E CB 0.168 29.921 29.700 0.089 0.000 0.743 290 E HN 0.403 nan 8.360 nan 0.000 0.453 291 L N 1.321 122.615 121.223 0.117 0.000 2.079 291 L HA -0.180 4.154 4.340 -0.010 0.000 0.210 291 L C 2.469 179.434 176.870 0.158 0.000 1.081 291 L CA 1.777 56.707 54.840 0.150 0.000 0.752 291 L CB -0.504 41.714 42.059 0.266 0.000 0.896 291 L HN 0.006 nan 8.230 nan 0.000 0.433 292 R N -0.656 119.874 120.500 0.051 0.000 2.081 292 R HA -0.160 4.174 4.340 -0.010 0.000 0.235 292 R C 2.105 178.458 176.300 0.088 0.000 1.131 292 R CA 1.825 57.887 56.100 -0.064 0.000 0.960 292 R CB -1.001 29.053 30.300 -0.409 0.000 0.856 292 R HN 0.401 nan 8.270 nan 0.000 0.436 293 L N 0.909 122.109 121.223 -0.039 0.000 2.046 293 L HA -0.076 4.258 4.340 -0.010 0.000 0.208 293 L C 1.693 178.516 176.870 -0.078 0.000 1.077 293 L CA 1.908 56.522 54.840 -0.377 0.000 0.747 293 L CB -0.443 41.092 42.059 -0.874 0.000 0.896 293 L HN 0.160 nan 8.230 nan 0.000 0.432 294 K N -0.965 119.432 120.400 -0.005 0.000 2.063 294 K HA -0.207 4.107 4.320 -0.010 0.000 0.208 294 K C 2.085 178.854 176.600 0.282 0.000 1.048 294 K CA 1.849 58.199 56.287 0.105 0.000 0.928 294 K CB -0.217 32.167 32.500 -0.193 0.000 0.713 294 K HN 0.507 nan 8.250 nan 0.000 0.442 295 Q N 0.651 120.584 119.800 0.221 0.000 2.096 295 Q HA -0.203 4.131 4.340 -0.010 0.000 0.204 295 Q C 1.995 178.205 176.000 0.350 0.000 0.982 295 Q CA 1.520 57.511 55.803 0.314 0.000 0.850 295 Q CB -0.054 28.889 28.738 0.341 0.000 0.901 295 Q HN 0.399 nan 8.270 nan 0.000 0.422 296 E N -0.214 120.147 120.200 0.267 0.000 2.077 296 E HA -0.208 4.136 4.350 -0.010 0.000 0.193 296 E C 1.760 178.485 176.600 0.209 0.000 0.989 296 E CA 1.016 57.556 56.400 0.234 0.000 0.800 296 E CB -0.147 29.671 29.700 0.198 0.000 0.746 296 E HN 0.321 nan 8.360 nan 0.000 0.452 297 Y N 0.485 120.838 120.300 0.089 0.000 2.200 297 Y HA -0.221 4.323 4.550 -0.010 0.000 0.290 297 Y C 1.982 177.920 175.900 0.063 0.000 1.137 297 Y CA 1.074 59.182 58.100 0.013 0.000 1.163 297 Y CB -0.407 38.027 38.460 -0.043 0.000 0.988 297 Y HN 0.014 nan 8.280 nan 0.000 0.518 298 F N -0.281 119.669 119.950 0.000 0.000 2.065 298 F HA -0.276 4.245 4.527 -0.010 0.000 0.298 298 F C 2.508 178.171 175.800 -0.229 0.000 1.112 298 F CA 2.103 60.055 58.000 -0.081 0.000 1.212 298 F CB -1.107 37.996 39.000 0.172 0.000 0.975 298 F HN -0.049 nan 8.300 nan 0.000 0.476 299 V N -0.488 119.394 119.914 -0.053 0.000 2.358 299 V HA -0.206 3.908 4.120 -0.010 0.000 0.246 299 V C 2.212 178.175 176.094 -0.218 0.000 1.047 299 V CA 1.927 64.174 62.300 -0.088 0.000 1.035 299 V CB -0.383 31.585 31.823 0.241 0.000 0.658 299 V HN 0.264 nan 8.190 nan 0.000 0.452 300 V N 0.455 120.245 119.914 -0.206 0.000 2.295 300 V HA -0.193 3.921 4.120 -0.010 0.000 0.246 300 V C 2.802 178.651 176.094 -0.409 0.000 1.049 300 V CA 2.189 64.351 62.300 -0.229 0.000 1.024 300 V CB -1.117 30.634 31.823 -0.120 0.000 0.648 300 V HN 0.645 nan 8.190 nan 0.000 0.447 301 A N -0.206 122.201 122.820 -0.689 0.000 1.873 301 A HA -0.078 4.236 4.320 -0.010 0.000 0.215 301 A C 2.406 179.617 177.584 -0.621 0.000 1.186 301 A CA 2.048 53.664 52.037 -0.702 0.000 0.616 301 A CB -0.809 17.546 19.000 -1.074 0.000 0.823 301 A HN 0.557 nan 8.150 nan 0.000 0.442 302 A N -0.982 121.306 122.820 -0.887 0.000 1.877 302 A HA -0.073 4.241 4.320 -0.010 0.000 0.216 302 A C 2.317 179.414 177.584 -0.812 0.000 1.186 302 A CA 2.305 53.623 52.037 -1.198 0.000 0.620 302 A CB -1.336 16.267 19.000 -2.329 0.000 0.822 302 A HN 0.423 nan 8.150 nan 0.000 0.443 303 T N 0.495 114.717 114.554 -0.553 0.000 2.684 303 T HA -0.120 4.224 4.350 -0.010 0.000 0.267 303 T C 1.826 176.261 174.700 -0.441 0.000 1.036 303 T CA 1.533 63.406 62.100 -0.377 0.000 1.148 303 T CB -0.401 68.243 68.868 -0.373 0.000 0.863 303 T HN 0.339 nan 8.240 nan 0.000 0.436 304 L N 0.641 121.653 121.223 -0.351 0.000 2.083 304 L HA -0.150 4.184 4.340 -0.010 0.000 0.209 304 L C 2.939 179.696 176.870 -0.189 0.000 1.083 304 L CA 1.334 56.019 54.840 -0.259 0.000 0.752 304 L CB -0.505 41.442 42.059 -0.188 0.000 0.899 304 L HN 0.361 nan 8.230 nan 0.000 0.433 305 Q N -0.485 119.201 119.800 -0.191 0.000 2.050 305 Q HA -0.262 4.072 4.340 -0.010 0.000 0.202 305 Q C 1.811 177.777 176.000 -0.057 0.000 0.980 305 Q CA 1.842 57.580 55.803 -0.108 0.000 0.840 305 Q CB -0.146 28.513 28.738 -0.131 0.000 0.898 305 Q HN 0.398 nan 8.270 nan 0.000 0.424 306 D N 0.493 120.853 120.400 -0.067 0.000 2.117 306 D HA -0.118 4.516 4.640 -0.010 0.000 0.197 306 D C 1.693 177.940 176.300 -0.088 0.000 0.987 306 D CA 0.905 54.913 54.000 0.013 0.000 0.829 306 D CB -0.065 40.850 40.800 0.193 0.000 0.961 306 D HN 0.171 nan 8.370 nan 0.000 0.460 307 I N 0.048 120.458 120.570 -0.266 0.000 2.179 307 I HA -0.244 3.920 4.170 -0.010 0.000 0.242 307 I C 2.283 178.407 176.117 0.012 0.000 1.088 307 I CA 0.776 61.862 61.300 -0.356 0.000 1.357 307 I CB -0.140 37.499 38.000 -0.601 0.000 1.051 307 I HN 0.035 nan 8.210 nan 0.000 0.409 308 I N 0.229 120.860 120.570 0.102 0.000 2.252 308 I HA -0.271 3.893 4.170 -0.010 0.000 0.245 308 I C 2.752 179.026 176.117 0.262 0.000 1.102 308 I CA 1.089 62.563 61.300 0.289 0.000 1.385 308 I CB -0.374 37.748 38.000 0.203 0.000 1.064 308 I HN 0.164 nan 8.210 nan 0.000 0.414 309 R N 1.187 121.770 120.500 0.139 0.000 2.083 309 R HA -0.224 4.110 4.340 -0.010 0.000 0.237 309 R C 2.496 178.861 176.300 0.107 0.000 1.137 309 R CA 1.764 57.930 56.100 0.109 0.000 0.951 309 R CB -0.262 30.082 30.300 0.073 0.000 0.851 309 R HN 0.176 nan 8.270 nan 0.000 0.434 310 R N -0.738 119.823 120.500 0.102 0.000 2.120 310 R HA -0.155 4.179 4.340 -0.010 0.000 0.234 310 R C 2.109 178.493 176.300 0.140 0.000 1.123 310 R CA 1.612 57.775 56.100 0.105 0.000 0.975 310 R CB -0.317 30.034 30.300 0.086 0.000 0.866 310 R HN 0.307 nan 8.270 nan 0.000 0.446 311 F N 1.359 121.337 119.950 0.048 0.000 2.146 311 F HA -0.081 4.440 4.527 -0.010 0.000 0.298 311 F C 1.606 177.405 175.800 -0.002 0.000 1.096 311 F CA 1.457 59.477 58.000 0.032 0.000 1.275 311 F CB 0.058 39.130 39.000 0.121 0.000 1.008 311 F HN -0.159 nan 8.300 nan 0.000 0.480 312 K N -0.311 120.049 120.400 -0.068 0.000 2.362 312 K HA -0.043 4.271 4.320 -0.010 0.000 0.200 312 K C 1.913 178.412 176.600 -0.169 0.000 1.046 312 K CA 1.155 57.327 56.287 -0.193 0.000 0.952 312 K CB -0.162 32.340 32.500 0.002 0.000 0.753 312 K HN 0.182 nan 8.250 nan 0.000 0.466 313 S N 0.647 116.296 115.700 -0.084 0.000 2.528 313 S HA 0.045 4.509 4.470 -0.010 0.000 0.219 313 S C 0.621 175.174 174.600 -0.080 0.000 0.985 313 S CA -0.142 58.046 58.200 -0.020 0.000 0.914 313 S CB 0.166 63.420 63.200 0.090 0.000 0.776 313 S HN 0.176 nan 8.310 nan 0.000 0.526 325 N N 0.356 119.024 118.700 -0.053 0.000 2.424 325 N HA 0.414 5.148 4.740 -0.010 0.000 0.271 325 N C -0.848 174.702 175.510 0.067 0.000 0.985 325 N CA -0.177 52.907 53.050 0.058 0.000 0.921 325 N CB 0.861 39.386 38.487 0.062 0.000 1.149 325 N HN 0.087 nan 8.380 nan 0.000 0.492 326 F N 1.174 121.222 119.950 0.164 0.000 2.765 326 F HA 0.146 4.667 4.527 -0.010 0.000 0.302 326 F C 1.666 177.525 175.800 0.099 0.000 1.111 326 F CA -0.304 57.769 58.000 0.121 0.000 1.359 326 F CB 0.408 39.358 39.000 -0.083 0.000 1.097 326 F HN 0.455 nan 8.300 nan 0.000 0.577 327 D N 0.559 121.094 120.400 0.224 0.000 2.178 327 D HA -0.144 4.490 4.640 -0.010 0.000 0.201 327 D C 2.221 178.611 176.300 0.149 0.000 0.980 327 D CA 1.223 55.315 54.000 0.152 0.000 0.842 327 D CB -0.041 40.824 40.800 0.109 0.000 0.948 327 D HN 0.296 nan 8.370 nan 0.000 0.472 328 A N -0.390 122.547 122.820 0.195 0.000 2.218 328 A HA 0.044 4.358 4.320 -0.010 0.000 0.209 328 A C 1.760 179.464 177.584 0.200 0.000 1.168 328 A CA -0.235 51.919 52.037 0.193 0.000 0.804 328 A CB -0.647 18.476 19.000 0.206 0.000 0.834 328 A HN 0.136 nan 8.150 nan 0.000 0.482 329 F N 1.892 121.800 119.950 -0.069 0.000 2.065 329 F HA -0.156 4.365 4.527 -0.010 0.000 0.298 329 F C -0.756 174.933 175.800 -0.184 0.000 1.112 329 F CA 2.633 60.377 58.000 -0.427 0.000 1.212 329 F CB -0.588 38.152 39.000 -0.432 0.000 0.975 329 F HN 0.203 nan 8.300 nan 0.000 0.476 330 P HA -0.094 nan 4.420 nan 0.000 0.226 330 P C 0.730 177.989 177.300 -0.068 0.000 1.153 330 P CA 1.420 64.490 63.100 -0.050 0.000 0.777 330 P CB -0.079 31.618 31.700 -0.004 0.000 0.794 331 D N -0.680 119.702 120.400 -0.031 0.000 2.317 331 D HA -0.045 4.589 4.640 -0.010 0.000 0.211 331 D C 1.475 177.760 176.300 -0.025 0.000 0.966 331 D CA 0.951 54.944 54.000 -0.012 0.000 0.876 331 D CB 0.108 40.922 40.800 0.022 0.000 0.927 331 D HN 0.178 nan 8.370 nan 0.000 0.519 332 K N -0.087 120.275 120.400 -0.064 0.000 2.412 332 K HA 0.208 4.522 4.320 -0.010 0.000 0.202 332 K C -0.093 176.421 176.600 -0.143 0.000 1.102 332 K CA 0.085 56.344 56.287 -0.046 0.000 1.027 332 K CB 2.471 35.043 32.500 0.120 0.000 0.931 332 K HN -0.073 nan 8.250 nan 0.000 0.557 333 V N 1.116 120.856 119.914 -0.291 0.000 2.686 333 V HA 0.612 4.726 4.120 -0.010 0.000 0.306 333 V C -1.098 174.904 176.094 -0.154 0.000 1.065 333 V CA -1.234 60.892 62.300 -0.290 0.000 0.894 333 V CB 1.820 33.166 31.823 -0.794 0.000 1.004 333 V HN 0.125 nan 8.190 nan 0.000 0.424 334 A N 5.706 128.492 122.820 -0.058 0.000 2.343 334 A HA 0.925 5.239 4.320 -0.010 0.000 0.316 334 A C -0.966 176.642 177.584 0.040 0.000 1.104 334 A CA -0.475 51.558 52.037 -0.007 0.000 0.768 334 A CB 0.975 19.925 19.000 -0.084 0.000 1.213 334 A HN 0.772 nan 8.150 nan 0.000 0.456 335 I N 1.859 122.494 120.570 0.108 0.000 2.355 335 I HA 0.305 4.469 4.170 -0.010 0.000 0.288 335 I C -0.226 175.975 176.117 0.141 0.000 0.999 335 I CA -0.525 60.849 61.300 0.124 0.000 1.163 335 I CB 1.892 39.947 38.000 0.092 0.000 1.316 335 I HN 0.698 nan 8.210 nan 0.000 0.454 336 Q N 6.800 126.677 119.800 0.128 0.000 2.314 336 Q HA 0.508 4.842 4.340 -0.010 0.000 0.259 336 Q C -1.335 174.649 176.000 -0.027 0.000 0.951 336 Q CA -0.246 55.656 55.803 0.165 0.000 0.909 336 Q CB 1.298 30.242 28.738 0.344 0.000 1.236 336 Q HN 0.577 nan 8.270 nan 0.000 0.444 337 L N 3.882 125.131 121.223 0.045 0.000 2.261 337 L HA 0.393 4.727 4.340 -0.010 0.000 0.289 337 L C 0.034 176.920 176.870 0.027 0.000 1.059 337 L CA -0.747 54.112 54.840 0.032 0.000 0.816 337 L CB 0.677 42.807 42.059 0.118 0.000 1.191 337 L HN 0.572 nan 8.230 nan 0.000 0.431 338 N N 4.582 123.226 118.700 -0.093 0.000 2.448 338 N HA 0.045 4.779 4.740 -0.010 0.000 0.250 338 N C -0.097 175.445 175.510 0.054 0.000 1.136 338 N CA 0.538 53.596 53.050 0.013 0.000 0.953 338 N CB -0.116 38.319 38.487 -0.086 0.000 1.251 338 N HN 0.624 nan 8.380 nan 0.000 0.502 339 D N -0.158 120.351 120.400 0.182 0.000 4.160 339 D HA -0.228 4.406 4.640 -0.010 0.000 0.291 339 D C 0.330 176.710 176.300 0.133 0.000 2.226 339 D CA 1.555 55.633 54.000 0.130 0.000 1.157 339 D CB -0.460 40.156 40.800 -0.306 0.000 1.020 339 D HN 0.519 nan 8.370 nan 0.000 1.219 340 T N -2.448 112.113 114.554 0.013 0.000 3.129 340 T HA 0.072 4.416 4.350 -0.010 0.000 0.251 340 T C 1.608 176.371 174.700 0.106 0.000 1.117 340 T CA 1.512 63.613 62.100 0.001 0.000 1.034 340 T CB -0.498 68.344 68.868 -0.044 0.000 0.968 340 T HN 0.498 nan 8.240 nan 0.000 0.526 341 H N 2.605 121.770 119.070 0.158 0.000 2.352 341 H HA 0.002 4.552 4.556 -0.010 0.000 0.299 341 H C -0.855 174.571 175.328 0.162 0.000 1.097 341 H CA 0.985 57.142 56.048 0.181 0.000 1.311 341 H CB -0.952 28.917 29.762 0.179 0.000 1.377 341 H HN 0.442 nan 8.280 nan 0.000 0.504 342 P HA 0.080 nan 4.420 nan 0.000 0.259 342 P C 0.740 178.089 177.300 0.082 0.000 1.530 342 P CA 0.348 63.534 63.100 0.142 0.000 1.022 342 P CB 0.330 32.102 31.700 0.119 0.000 1.514 343 S N -0.215 115.527 115.700 0.071 0.000 2.440 343 S HA -0.132 4.332 4.470 -0.010 0.000 0.238 343 S C 1.744 176.350 174.600 0.009 0.000 1.010 343 S CA 0.801 59.003 58.200 0.004 0.000 0.972 343 S CB -1.502 61.674 63.200 -0.040 0.000 0.774 343 S HN 0.152 nan 8.310 nan 0.000 0.501 344 L N 1.025 122.268 121.223 0.032 0.000 2.450 344 L HA 0.009 4.343 4.340 -0.010 0.000 0.224 344 L C 2.936 179.838 176.870 0.053 0.000 1.149 344 L CA 0.609 55.465 54.840 0.027 0.000 0.816 344 L CB -0.790 41.281 42.059 0.021 0.000 0.932 344 L HN 0.470 nan 8.230 nan 0.000 0.449 345 A N 0.678 123.514 122.820 0.028 0.000 1.948 345 A HA -0.220 4.094 4.320 -0.010 0.000 0.220 345 A C 2.174 179.758 177.584 0.000 0.000 1.177 345 A CA 1.639 53.678 52.037 0.004 0.000 0.636 345 A CB -0.495 18.500 19.000 -0.007 0.000 0.815 345 A HN 0.376 nan 8.150 nan 0.000 0.449 346 I N 0.264 120.834 120.570 0.001 0.000 2.090 346 I HA -0.153 4.011 4.170 -0.010 0.000 0.236 346 I C -0.338 175.795 176.117 0.027 0.000 1.064 346 I CA 1.650 62.947 61.300 -0.004 0.000 1.324 346 I CB -1.054 36.945 38.000 -0.003 0.000 1.044 346 I HN 0.246 nan 8.210 nan 0.000 0.399 347 P HA -0.171 nan 4.420 nan 0.000 0.221 347 P C 1.277 178.613 177.300 0.059 0.000 1.150 347 P CA 1.486 64.625 63.100 0.065 0.000 0.800 347 P CB 0.027 31.787 31.700 0.100 0.000 0.787 348 E N 0.265 120.558 120.200 0.155 0.000 2.072 348 E HA -0.154 4.190 4.350 -0.010 0.000 0.191 348 E C 1.924 178.516 176.600 -0.014 0.000 0.985 348 E CA 0.676 57.179 56.400 0.173 0.000 0.801 348 E CB -1.210 28.634 29.700 0.240 0.000 0.750 348 E HN -0.009 nan 8.360 nan 0.000 0.452 349 L N 0.005 121.188 121.223 -0.067 0.000 2.046 349 L HA -0.116 4.218 4.340 -0.010 0.000 0.208 349 L C 2.087 178.819 176.870 -0.230 0.000 1.077 349 L CA 1.781 56.522 54.840 -0.164 0.000 0.747 349 L CB -0.566 41.397 42.059 -0.160 0.000 0.896 349 L HN 0.247 nan 8.230 nan 0.000 0.432 350 M N -0.875 118.604 119.600 -0.201 0.000 2.117 350 M HA -0.211 4.263 4.480 -0.010 0.000 0.262 350 M C 2.427 178.566 176.300 -0.269 0.000 1.065 350 M CA 1.522 56.649 55.300 -0.288 0.000 1.114 350 M CB -1.192 31.219 32.600 -0.315 0.000 1.361 350 M HN 0.333 nan 8.290 nan 0.000 0.408 351 R N 0.078 120.448 120.500 -0.217 0.000 2.080 351 R HA -0.140 4.194 4.340 -0.010 0.000 0.236 351 R C 2.085 178.282 176.300 -0.171 0.000 1.137 351 R CA 1.794 57.767 56.100 -0.211 0.000 0.943 351 R CB -0.237 29.888 30.300 -0.291 0.000 0.846 351 R HN 0.209 nan 8.270 nan 0.000 0.431 352 V N 1.517 121.330 119.914 -0.168 0.000 2.287 352 V HA -0.271 3.843 4.120 -0.010 0.000 0.248 352 V C 2.439 178.371 176.094 -0.271 0.000 1.053 352 V CA 1.819 64.011 62.300 -0.180 0.000 1.027 352 V CB -0.457 31.259 31.823 -0.180 0.000 0.646 352 V HN 0.350 nan 8.190 nan 0.000 0.447 353 L N -0.612 120.390 121.223 -0.368 0.000 2.056 353 L HA -0.129 4.205 4.340 -0.010 0.000 0.207 353 L C 2.410 179.097 176.870 -0.306 0.000 1.078 353 L CA 1.162 55.719 54.840 -0.472 0.000 0.749 353 L CB -0.592 41.146 42.059 -0.534 0.000 0.901 353 L HN 0.210 nan 8.230 nan 0.000 0.433 354 V N -0.570 119.208 119.914 -0.227 0.000 2.302 354 V HA -0.189 3.925 4.120 -0.010 0.000 0.243 354 V C 1.945 177.995 176.094 -0.074 0.000 1.036 354 V CA 1.711 63.941 62.300 -0.118 0.000 1.020 354 V CB -0.369 31.419 31.823 -0.058 0.000 0.657 354 V HN 0.354 nan 8.190 nan 0.000 0.453 355 D N -0.174 120.177 120.400 -0.082 0.000 2.194 355 D HA 0.015 4.649 4.640 -0.010 0.000 0.204 355 D C 1.995 178.265 176.300 -0.050 0.000 0.964 355 D CA 1.094 55.063 54.000 -0.052 0.000 0.846 355 D CB 0.145 40.912 40.800 -0.055 0.000 0.962 355 D HN 0.337 nan 8.370 nan 0.000 0.490 356 L N 0.101 121.279 121.223 -0.075 0.000 2.362 356 L HA 0.132 4.466 4.340 -0.010 0.000 0.204 356 L C 1.822 178.659 176.870 -0.055 0.000 1.060 356 L CA 0.409 55.216 54.840 -0.055 0.000 0.827 356 L CB 0.125 42.152 42.059 -0.053 0.000 1.027 356 L HN -0.211 nan 8.230 nan 0.000 0.474 357 E N 0.387 120.518 120.200 -0.114 0.000 2.442 357 E HA 0.044 4.388 4.350 -0.010 0.000 0.195 357 E C 0.171 176.731 176.600 -0.066 0.000 1.030 357 E CA -0.048 56.290 56.400 -0.102 0.000 0.869 357 E CB 0.326 29.845 29.700 -0.302 0.000 0.857 357 E HN 0.184 nan 8.360 nan 0.000 0.505 358 R N -0.009 120.449 120.500 -0.069 0.000 3.651 358 R HA -0.187 4.147 4.340 -0.010 0.000 0.292 358 R C -0.384 175.901 176.300 -0.025 0.000 1.161 358 R CA 0.239 56.322 56.100 -0.029 0.000 0.787 358 R CB -2.537 27.764 30.300 0.001 0.000 1.249 358 R HN 0.087 nan 8.270 nan 0.000 0.476 359 L N 2.010 123.190 121.223 -0.072 0.000 2.452 359 L HA 0.098 4.432 4.340 -0.010 0.000 0.267 359 L C 1.446 178.311 176.870 -0.010 0.000 1.188 359 L CA 0.391 55.199 54.840 -0.053 0.000 0.821 359 L CB 0.355 42.334 42.059 -0.133 0.000 1.102 359 L HN 0.126 nan 8.230 nan 0.000 0.470 360 D N 1.182 121.601 120.400 0.031 0.000 2.362 360 D HA -0.142 4.492 4.640 -0.010 0.000 0.242 360 D C 0.891 177.263 176.300 0.119 0.000 1.132 360 D CA -0.518 53.535 54.000 0.088 0.000 0.907 360 D CB 0.740 41.596 40.800 0.093 0.000 1.195 360 D HN 0.625 nan 8.370 nan 0.000 0.429 361 W N 2.228 123.531 121.300 0.007 0.000 2.317 361 W HA -0.226 4.429 4.660 -0.010 0.000 0.318 361 W C 1.059 177.623 176.519 0.076 0.000 1.227 361 W CA 1.845 59.202 57.345 0.019 0.000 1.269 361 W CB -0.267 29.186 29.460 -0.013 0.000 1.155 361 W HN 0.475 nan 8.180 nan 0.000 0.484 362 D N 0.216 120.820 120.400 0.340 0.000 2.117 362 D HA -0.191 4.443 4.640 -0.010 0.000 0.197 362 D C 2.078 178.483 176.300 0.174 0.000 0.987 362 D CA 1.362 55.533 54.000 0.286 0.000 0.829 362 D CB -0.430 40.506 40.800 0.227 0.000 0.961 362 D HN 0.054 nan 8.370 nan 0.000 0.460 363 K N 0.962 121.422 120.400 0.100 0.000 2.025 363 K HA 0.002 4.316 4.320 -0.010 0.000 0.207 363 K C 1.985 178.576 176.600 -0.015 0.000 1.049 363 K CA 1.028 57.344 56.287 0.049 0.000 0.933 363 K CB -0.416 32.108 32.500 0.039 0.000 0.714 363 K HN 0.034 nan 8.250 nan 0.000 0.438 364 A N 0.937 123.706 122.820 -0.085 0.000 1.908 364 A HA -0.206 4.108 4.320 -0.010 0.000 0.218 364 A C 2.159 179.643 177.584 -0.166 0.000 1.181 364 A CA 1.469 53.385 52.037 -0.201 0.000 0.627 364 A CB -1.071 17.742 19.000 -0.310 0.000 0.818 364 A HN 0.671 nan 8.150 nan 0.000 0.445 365 W N 0.597 121.690 121.300 -0.346 0.000 2.381 365 W HA -0.158 4.496 4.660 -0.010 0.000 0.301 365 W C 1.985 178.445 176.519 -0.098 0.000 1.205 365 W CA 1.750 58.940 57.345 -0.259 0.000 1.285 365 W CB -0.130 29.217 29.460 -0.188 0.000 1.133 365 W HN 0.622 nan 8.180 nan 0.000 0.521 366 E N 0.171 120.360 120.200 -0.018 0.000 2.058 366 E HA -0.240 4.104 4.350 -0.010 0.000 0.194 366 E C 2.053 178.575 176.600 -0.129 0.000 0.997 366 E CA 2.117 58.474 56.400 -0.072 0.000 0.801 366 E CB -0.369 29.345 29.700 0.024 0.000 0.746 366 E HN 0.045 nan 8.360 nan 0.000 0.450 367 V N 0.746 120.598 119.914 -0.102 0.000 2.295 367 V HA -0.280 3.834 4.120 -0.010 0.000 0.246 367 V C 2.427 178.454 176.094 -0.112 0.000 1.049 367 V CA 2.253 64.511 62.300 -0.071 0.000 1.024 367 V CB -0.834 30.940 31.823 -0.082 0.000 0.648 367 V HN 0.408 nan 8.190 nan 0.000 0.447 368 T N 0.072 114.488 114.554 -0.229 0.000 2.652 368 T HA -0.198 4.146 4.350 -0.010 0.000 0.267 368 T C 1.938 176.458 174.700 -0.301 0.000 1.039 368 T CA 1.854 63.792 62.100 -0.271 0.000 1.153 368 T CB -0.360 68.292 68.868 -0.360 0.000 0.863 368 T HN 0.275 nan 8.240 nan 0.000 0.428 369 V N 1.451 121.067 119.914 -0.497 0.000 2.332 369 V HA -0.201 3.913 4.120 -0.010 0.000 0.248 369 V C 2.388 178.435 176.094 -0.078 0.000 1.055 369 V CA 1.691 63.761 62.300 -0.383 0.000 1.038 369 V CB -0.520 31.003 31.823 -0.500 0.000 0.651 369 V HN 0.473 nan 8.190 nan 0.000 0.450 370 K N -0.177 120.159 120.400 -0.106 0.000 2.283 370 K HA -0.123 4.191 4.320 -0.010 0.000 0.202 370 K C 2.209 178.774 176.600 -0.057 0.000 1.048 370 K CA 1.614 57.822 56.287 -0.132 0.000 0.948 370 K CB -0.237 32.187 32.500 -0.127 0.000 0.742 370 K HN 0.664 nan 8.250 nan 0.000 0.458 371 T N -1.607 112.976 114.554 0.048 0.000 3.044 371 T HA 0.048 4.392 4.350 -0.010 0.000 0.255 371 T C 0.807 175.617 174.700 0.183 0.000 1.073 371 T CA -0.109 62.056 62.100 0.108 0.000 1.125 371 T CB -0.042 68.906 68.868 0.134 0.000 0.908 371 T HN 0.038 nan 8.240 nan 0.000 0.480 372 C N 2.557 121.950 119.300 0.154 0.000 2.365 372 C HA 0.920 5.374 4.460 -0.010 0.000 0.351 372 C C 0.596 175.637 174.990 0.084 0.000 1.240 372 C CA -0.752 58.330 59.018 0.106 0.000 2.062 372 C CB 0.232 27.973 27.740 0.002 0.000 2.387 372 C HN 0.764 nan 8.230 nan 0.000 0.537 373 A N 2.207 125.072 122.820 0.074 0.000 2.515 373 A HA 0.777 5.091 4.320 -0.010 0.000 0.298 373 A C -1.617 176.033 177.584 0.111 0.000 1.059 373 A CA -0.428 51.607 52.037 -0.004 0.000 0.698 373 A CB 1.096 20.096 19.000 0.000 0.000 1.289 373 A HN 0.946 nan 8.150 nan 0.000 0.404 374 Y N 0.950 121.196 120.300 -0.091 0.000 2.391 374 Y HA 0.647 5.191 4.550 -0.010 0.000 0.341 374 Y C -0.608 175.265 175.900 -0.045 0.000 0.965 374 Y CA -0.312 57.744 58.100 -0.074 0.000 1.067 374 Y CB 2.122 40.494 38.460 -0.147 0.000 1.199 374 Y HN 0.582 nan 8.280 nan 0.000 0.450 375 T N 6.480 120.775 114.554 -0.431 0.000 2.770 375 T HA 0.207 4.551 4.350 -0.010 0.000 0.283 375 T C -0.849 173.351 174.700 -0.834 0.000 0.988 375 T CA -0.825 60.965 62.100 -0.516 0.000 0.957 375 T CB 0.562 69.375 68.868 -0.092 0.000 0.930 375 T HN 0.657 nan 8.240 nan 0.000 0.443 376 N N 1.650 119.877 118.700 -0.787 0.000 2.473 376 N HA 0.152 4.886 4.740 -0.010 0.000 0.291 376 N C 0.001 175.333 175.510 -0.295 0.000 1.083 376 N CA -0.353 52.469 53.050 -0.380 0.000 0.951 376 N CB 0.838 39.298 38.487 -0.045 0.000 1.164 376 N HN 0.673 nan 8.380 nan 0.000 0.480 377 H N 0.798 119.884 119.070 0.027 0.000 3.058 377 H HA 0.169 4.719 4.556 -0.010 0.000 0.266 377 H C -0.221 175.013 175.328 -0.157 0.000 1.135 377 H CA -0.018 55.989 56.048 -0.069 0.000 1.174 377 H CB 1.178 30.915 29.762 -0.042 0.000 1.581 377 H HN 0.510 nan 8.280 nan 0.000 0.553 378 T N 0.454 115.022 114.554 0.022 0.000 2.957 378 T HA 0.212 4.556 4.350 -0.010 0.000 0.336 378 T C 0.592 175.306 174.700 0.023 0.000 1.462 378 T CA -0.415 61.653 62.100 -0.055 0.000 1.073 378 T CB 1.433 70.247 68.868 -0.089 0.000 1.319 378 T HN -0.032 nan 8.240 nan 0.000 0.485 379 V N 2.190 122.089 119.914 -0.024 0.000 3.660 379 V HA 0.536 4.650 4.120 -0.010 0.000 0.276 379 V C 0.730 176.780 176.094 -0.074 0.000 1.317 379 V CA 0.099 62.365 62.300 -0.056 0.000 1.097 379 V CB -0.532 31.259 31.823 -0.054 0.000 0.863 379 V HN 0.686 nan 8.190 nan 0.000 0.438 380 L N 2.932 124.104 121.223 -0.085 0.000 2.477 380 L HA 0.242 4.576 4.340 -0.010 0.000 0.272 380 L C -0.658 176.189 176.870 -0.040 0.000 1.157 380 L CA -1.099 53.710 54.840 -0.052 0.000 0.889 380 L CB 0.846 42.866 42.059 -0.064 0.000 1.158 380 L HN 0.131 nan 8.230 nan 0.000 0.473 381 P HA -0.189 nan 4.420 nan 0.000 0.218 381 P C 1.018 178.265 177.300 -0.087 0.000 1.149 381 P CA 1.113 64.182 63.100 -0.051 0.000 0.817 381 P CB 0.087 31.768 31.700 -0.032 0.000 0.785 382 E N 0.644 120.802 120.200 -0.069 0.000 2.338 382 E HA -0.093 4.252 4.350 -0.010 0.000 0.197 382 E C 1.670 178.126 176.600 -0.240 0.000 1.007 382 E CA 1.258 57.544 56.400 -0.189 0.000 0.849 382 E CB -0.844 28.842 29.700 -0.023 0.000 0.774 382 E HN 0.202 nan 8.360 nan 0.000 0.506 383 A N 1.272 124.034 122.820 -0.096 0.000 2.132 383 A HA 0.188 4.502 4.320 -0.010 0.000 0.213 383 A C 1.351 178.891 177.584 -0.073 0.000 1.154 383 A CA -0.222 51.795 52.037 -0.034 0.000 0.753 383 A CB 0.004 19.019 19.000 0.024 0.000 0.826 383 A HN 0.136 nan 8.150 nan 0.000 0.469 384 L N 1.715 122.849 121.223 -0.148 0.000 2.455 384 L HA 0.102 4.436 4.340 -0.010 0.000 0.272 384 L C -0.044 176.493 176.870 -0.555 0.000 1.174 384 L CA 0.352 55.059 54.840 -0.222 0.000 0.869 384 L CB 0.300 42.262 42.059 -0.162 0.000 1.130 384 L HN 0.425 nan 8.230 nan 0.000 0.474 385 E N 4.406 124.202 120.200 -0.673 0.000 2.217 385 E HA 0.190 4.534 4.350 -0.010 0.000 0.279 385 E C -0.477 175.485 176.600 -1.064 0.000 1.068 385 E CA -0.131 55.437 56.400 -1.387 0.000 0.882 385 E CB 0.616 29.846 29.700 -0.782 0.000 1.039 385 E HN 0.363 nan 8.360 nan 0.000 0.418 386 R N 3.697 123.407 120.500 -1.317 0.000 2.487 386 R HA 0.183 4.518 4.340 -0.010 0.000 0.288 386 R C -1.259 174.881 176.300 -0.265 0.000 1.394 386 R CA -0.547 55.236 56.100 -0.528 0.000 1.155 386 R CB 0.730 30.845 30.300 -0.308 0.000 1.156 386 R HN 0.453 nan 8.270 nan 0.000 0.553 387 W N 4.209 125.474 121.300 -0.059 0.000 2.266 387 W HA 0.237 4.891 4.660 -0.010 0.000 0.317 387 W C -1.859 174.658 176.519 -0.004 0.000 1.310 387 W CA -2.002 55.384 57.345 0.069 0.000 1.207 387 W CB 0.578 30.049 29.460 0.017 0.000 1.199 387 W HN 0.240 nan 8.180 nan 0.000 0.544 388 P HA -0.082 nan 4.420 nan 0.000 0.264 388 P C 0.772 178.027 177.300 -0.076 0.000 1.193 388 P CA 0.180 63.279 63.100 -0.003 0.000 0.763 388 P CB 0.759 32.302 31.700 -0.261 0.000 0.810 389 V N 3.286 123.206 119.914 0.009 0.000 2.392 389 V HA -0.288 3.826 4.120 -0.010 0.000 0.249 389 V C 2.151 178.258 176.094 0.022 0.000 1.059 389 V CA 2.556 64.878 62.300 0.036 0.000 1.051 389 V CB -1.688 30.215 31.823 0.134 0.000 0.658 389 V HN 0.766 nan 8.190 nan 0.000 0.455 390 H N -1.251 117.881 119.070 0.103 0.000 2.421 390 H HA -0.133 4.417 4.556 -0.010 0.000 0.298 390 H C 1.903 177.283 175.328 0.087 0.000 1.087 390 H CA 1.739 57.843 56.048 0.093 0.000 1.330 390 H CB -0.471 29.347 29.762 0.093 0.000 1.388 390 H HN 0.342 nan 8.280 nan 0.000 0.526 391 L N 0.346 121.406 121.223 -0.271 0.000 2.072 391 L HA 0.017 4.351 4.340 -0.010 0.000 0.205 391 L C 2.215 179.038 176.870 -0.079 0.000 1.079 391 L CA 1.271 56.054 54.840 -0.095 0.000 0.752 391 L CB -0.569 41.424 42.059 -0.110 0.000 0.906 391 L HN 0.397 nan 8.230 nan 0.000 0.436 392 L N -1.022 120.132 121.223 -0.116 0.000 2.093 392 L HA -0.189 4.145 4.340 -0.010 0.000 0.208 392 L C 2.467 179.275 176.870 -0.104 0.000 1.085 392 L CA 1.146 55.892 54.840 -0.158 0.000 0.755 392 L CB -0.446 41.509 42.059 -0.174 0.000 0.904 392 L HN 0.355 nan 8.230 nan 0.000 0.435 393 E N -0.401 119.781 120.200 -0.031 0.000 2.085 393 E HA -0.210 4.134 4.350 -0.010 0.000 0.194 393 E C 1.920 178.556 176.600 0.060 0.000 0.994 393 E CA 1.864 58.276 56.400 0.021 0.000 0.801 393 E CB 0.155 29.907 29.700 0.086 0.000 0.743 393 E HN 0.430 nan 8.360 nan 0.000 0.453 394 T N 0.594 115.205 114.554 0.095 0.000 2.852 394 T HA -0.073 4.271 4.350 -0.010 0.000 0.256 394 T C 1.702 176.508 174.700 0.176 0.000 1.038 394 T CA 0.653 62.860 62.100 0.178 0.000 1.141 394 T CB -0.096 68.909 68.868 0.228 0.000 0.869 394 T HN 0.064 nan 8.240 nan 0.000 0.439 395 L N -0.007 121.218 121.223 0.004 0.000 2.162 395 L HA 0.367 4.701 4.340 -0.010 0.000 0.205 395 L C 0.395 177.207 176.870 -0.097 0.000 1.086 395 L CA 1.539 56.264 54.840 -0.192 0.000 0.778 395 L CB 0.061 41.968 42.059 -0.253 0.000 0.928 395 L HN 0.168 nan 8.230 nan 0.000 0.446 396 L N 0.688 121.816 121.223 -0.158 0.000 2.625 396 L HA 0.291 4.625 4.340 -0.010 0.000 0.255 396 L C -1.716 174.977 176.870 -0.295 0.000 1.493 396 L CA -0.903 53.758 54.840 -0.299 0.000 0.796 396 L CB 0.866 42.601 42.059 -0.540 0.000 1.064 396 L HN -0.058 nan 8.230 nan 0.000 0.516 397 P HA -0.192 nan 4.420 nan 0.000 0.216 397 P C 1.486 178.592 177.300 -0.324 0.000 1.150 397 P CA 1.159 64.141 63.100 -0.197 0.000 0.837 397 P CB 0.361 32.023 31.700 -0.064 0.000 0.786 398 R N -0.273 119.846 120.500 -0.635 0.000 2.092 398 R HA -0.141 4.193 4.340 -0.010 0.000 0.231 398 R C 2.313 178.297 176.300 -0.526 0.000 1.119 398 R CA 1.569 57.294 56.100 -0.624 0.000 0.970 398 R CB -1.336 28.413 30.300 -0.919 0.000 0.864 398 R HN 0.225 nan 8.270 nan 0.000 0.440 399 H N -0.248 118.507 119.070 -0.525 0.000 2.389 399 H HA -0.050 4.500 4.556 -0.010 0.000 0.299 399 H C 1.814 176.966 175.328 -0.294 0.000 1.081 399 H CA 1.627 57.452 56.048 -0.373 0.000 1.345 399 H CB -0.108 29.398 29.762 -0.428 0.000 1.393 399 H HN 0.101 nan 8.280 nan 0.000 0.520 400 L N 0.532 121.626 121.223 -0.215 0.000 2.012 400 L HA -0.269 4.065 4.340 -0.010 0.000 0.210 400 L C 1.962 178.625 176.870 -0.345 0.000 1.073 400 L CA 1.634 56.276 54.840 -0.329 0.000 0.748 400 L CB -0.294 41.586 42.059 -0.298 0.000 0.891 400 L HN 0.450 nan 8.230 nan 0.000 0.431 401 Q N -0.316 119.388 119.800 -0.159 0.000 2.096 401 Q HA -0.245 4.089 4.340 -0.010 0.000 0.204 401 Q C 2.166 178.176 176.000 0.017 0.000 0.982 401 Q CA 1.744 57.543 55.803 -0.006 0.000 0.850 401 Q CB -0.139 28.607 28.738 0.013 0.000 0.901 401 Q HN 0.570 nan 8.270 nan 0.000 0.422 402 I N 0.373 120.937 120.570 -0.010 0.000 2.226 402 I HA -0.276 3.888 4.170 -0.010 0.000 0.245 402 I C 2.154 178.348 176.117 0.130 0.000 1.100 402 I CA 1.036 62.417 61.300 0.135 0.000 1.374 402 I CB -0.189 37.844 38.000 0.054 0.000 1.057 402 I HN 0.183 nan 8.210 nan 0.000 0.413 403 I N -0.417 120.147 120.570 -0.011 0.000 2.226 403 I HA -0.321 3.843 4.170 -0.010 0.000 0.245 403 I C 2.410 178.547 176.117 0.034 0.000 1.100 403 I CA 1.463 62.746 61.300 -0.028 0.000 1.374 403 I CB -0.426 37.491 38.000 -0.140 0.000 1.057 403 I HN 0.148 nan 8.210 nan 0.000 0.413 404 Y N 0.801 121.107 120.300 0.010 0.000 2.181 404 Y HA -0.271 4.273 4.550 -0.010 0.000 0.288 404 Y C 2.618 178.484 175.900 -0.057 0.000 1.146 404 Y CA 1.529 59.620 58.100 -0.015 0.000 1.164 404 Y CB -0.795 37.649 38.460 -0.027 0.000 0.982 404 Y HN 0.199 nan 8.280 nan 0.000 0.515 405 E N 0.335 120.570 120.200 0.059 0.000 2.072 405 E HA -0.130 4.214 4.350 -0.010 0.000 0.191 405 E C 2.093 178.610 176.600 -0.138 0.000 0.985 405 E CA 1.150 57.443 56.400 -0.178 0.000 0.801 405 E CB -0.520 28.878 29.700 -0.504 0.000 0.750 405 E HN 0.460 nan 8.360 nan 0.000 0.452 406 I N 0.743 121.336 120.570 0.039 0.000 2.163 406 I HA -0.317 3.847 4.170 -0.010 0.000 0.243 406 I C 2.301 178.421 176.117 0.005 0.000 1.085 406 I CA 1.510 62.783 61.300 -0.045 0.000 1.347 406 I CB -0.440 37.542 38.000 -0.031 0.000 1.044 406 I HN 0.218 nan 8.210 nan 0.000 0.408 407 N N 0.700 119.452 118.700 0.087 0.000 2.069 407 N HA -0.273 4.461 4.740 -0.010 0.000 0.191 407 N C 1.877 177.472 175.510 0.142 0.000 1.031 407 N CA 1.632 54.782 53.050 0.166 0.000 0.852 407 N CB -0.158 38.445 38.487 0.192 0.000 1.018 407 N HN 0.304 nan 8.380 nan 0.000 0.423 408 Q N -0.134 119.696 119.800 0.051 0.000 2.061 408 Q HA -0.108 4.226 4.340 -0.010 0.000 0.204 408 Q C 2.064 178.049 176.000 -0.025 0.000 0.984 408 Q CA 1.460 57.258 55.803 -0.010 0.000 0.846 408 Q CB 0.018 28.711 28.738 -0.075 0.000 0.902 408 Q HN 0.374 nan 8.270 nan 0.000 0.421 409 R N -0.796 119.669 120.500 -0.058 0.000 2.092 409 R HA -0.115 4.219 4.340 -0.010 0.000 0.231 409 R C 2.142 178.467 176.300 0.042 0.000 1.119 409 R CA 1.263 57.327 56.100 -0.061 0.000 0.970 409 R CB -0.343 29.868 30.300 -0.148 0.000 0.864 409 R HN 0.266 nan 8.270 nan 0.000 0.440 410 F N 1.520 121.445 119.950 -0.042 0.000 2.102 410 F HA -0.122 4.399 4.527 -0.010 0.000 0.298 410 F C 1.843 177.669 175.800 0.044 0.000 1.105 410 F CA 1.391 59.416 58.000 0.042 0.000 1.239 410 F CB -0.193 38.866 39.000 0.097 0.000 0.991 410 F HN -0.108 nan 8.300 nan 0.000 0.474 411 L N -0.032 121.213 121.223 0.037 0.000 2.191 411 L HA -0.236 4.098 4.340 -0.010 0.000 0.212 411 L C 1.948 178.760 176.870 -0.096 0.000 1.103 411 L CA 1.546 56.348 54.840 -0.063 0.000 0.769 411 L CB -0.885 41.194 42.059 0.032 0.000 0.908 411 L HN 0.263 nan 8.230 nan 0.000 0.438 412 N N -0.240 118.419 118.700 -0.069 0.000 2.244 412 N HA -0.149 4.585 4.740 -0.010 0.000 0.183 412 N C 1.904 177.363 175.510 -0.085 0.000 1.016 412 N CA 0.685 53.695 53.050 -0.067 0.000 0.866 412 N CB 0.021 38.475 38.487 -0.055 0.000 0.980 412 N HN 0.292 nan 8.380 nan 0.000 0.430 413 R N 0.507 120.935 120.500 -0.119 0.000 2.092 413 R HA -0.026 4.308 4.340 -0.010 0.000 0.231 413 R C 2.144 178.345 176.300 -0.166 0.000 1.119 413 R CA 0.799 56.821 56.100 -0.130 0.000 0.970 413 R CB -0.254 29.970 30.300 -0.127 0.000 0.864 413 R HN 0.084 nan 8.270 nan 0.000 0.440 414 V N 0.969 120.736 119.914 -0.246 0.000 2.358 414 V HA -0.224 3.890 4.120 -0.010 0.000 0.246 414 V C 2.435 178.526 176.094 -0.005 0.000 1.047 414 V CA 1.955 64.172 62.300 -0.137 0.000 1.035 414 V CB -0.695 30.981 31.823 -0.245 0.000 0.658 414 V HN 0.388 nan 8.190 nan 0.000 0.452 415 A N 0.073 122.864 122.820 -0.048 0.000 1.902 415 A HA -0.112 4.202 4.320 -0.010 0.000 0.217 415 A C 2.405 179.969 177.584 -0.033 0.000 1.181 415 A CA 2.093 54.118 52.037 -0.021 0.000 0.623 415 A CB -0.727 18.253 19.000 -0.034 0.000 0.818 415 A HN 0.571 nan 8.150 nan 0.000 0.443 416 A N -0.434 122.348 122.820 -0.063 0.000 1.930 416 A HA 0.246 4.560 4.320 -0.010 0.000 0.217 416 A C 2.416 179.918 177.584 -0.137 0.000 1.175 416 A CA 1.852 53.840 52.037 -0.081 0.000 0.627 416 A CB -0.758 18.197 19.000 -0.074 0.000 0.815 416 A HN 0.986 nan 8.150 nan 0.000 0.443 417 A N -1.693 121.009 122.820 -0.197 0.000 1.970 417 A HA 0.346 4.660 4.320 -0.010 0.000 0.216 417 A C 0.478 177.636 177.584 -0.710 0.000 1.170 417 A CA 0.580 52.343 52.037 -0.458 0.000 0.645 417 A CB -0.185 18.495 19.000 -0.534 0.000 0.816 417 A HN 0.426 nan 8.150 nan 0.000 0.447 418 F N 0.032 119.934 119.950 -0.079 0.000 2.622 418 F HA 0.345 4.866 4.527 -0.010 0.000 0.338 418 F C -2.795 172.968 175.800 -0.062 0.000 1.334 418 F CA -2.799 55.159 58.000 -0.070 0.000 1.179 418 F CB 0.909 39.859 39.000 -0.083 0.000 1.471 418 F HN -0.062 nan 8.300 nan 0.000 0.576 419 P HA 0.237 nan 4.420 nan 0.000 0.267 419 P C 0.986 178.306 177.300 0.033 0.000 1.205 419 P CA 0.825 63.937 63.100 0.020 0.000 0.765 419 P CB 1.024 32.717 31.700 -0.011 0.000 0.828 420 G N 2.510 111.323 108.800 0.021 0.000 2.199 420 G HA2 -0.235 3.719 3.960 -0.010 0.000 0.254 420 G HA3 -0.235 3.719 3.960 -0.010 0.000 0.254 420 G C 0.295 175.203 174.900 0.014 0.000 0.982 420 G CA -0.035 45.074 45.100 0.013 0.000 0.632 420 G HN 0.599 nan 8.290 nan 0.000 0.529 421 D N 1.549 121.966 120.400 0.027 0.000 2.508 421 D HA 0.385 5.019 4.640 -0.010 0.000 0.224 421 D C 2.094 178.383 176.300 -0.018 0.000 1.171 421 D CA 0.415 54.416 54.000 0.002 0.000 1.006 421 D CB 0.442 41.240 40.800 -0.002 0.000 1.073 421 D HN 0.566 nan 8.370 nan 0.000 0.513 422 V N 0.778 120.683 119.914 -0.015 0.000 2.515 422 V HA -0.130 3.984 4.120 -0.010 0.000 0.250 422 V C 1.813 177.894 176.094 -0.022 0.000 1.058 422 V CA 1.416 63.706 62.300 -0.016 0.000 1.064 422 V CB -0.485 31.333 31.823 -0.009 0.000 0.675 422 V HN 0.229 nan 8.190 nan 0.000 0.461 423 D N 0.316 120.699 120.400 -0.028 0.000 2.183 423 D HA -0.148 4.486 4.640 -0.010 0.000 0.203 423 D C 2.334 178.604 176.300 -0.050 0.000 0.969 423 D CA 1.117 55.099 54.000 -0.029 0.000 0.842 423 D CB -0.176 40.608 40.800 -0.027 0.000 0.957 423 D HN 0.406 nan 8.370 nan 0.000 0.484 424 R N -0.384 120.063 120.500 -0.089 0.000 2.096 424 R HA -0.129 4.205 4.340 -0.010 0.000 0.235 424 R C 1.855 178.087 176.300 -0.113 0.000 1.127 424 R CA 0.797 56.807 56.100 -0.149 0.000 0.968 424 R CB -0.208 29.944 30.300 -0.246 0.000 0.861 424 R HN 0.172 nan 8.270 nan 0.000 0.440 425 L N 1.250 122.433 121.223 -0.068 0.000 2.042 425 L HA -0.204 4.130 4.340 -0.010 0.000 0.210 425 L C 2.544 179.419 176.870 0.008 0.000 1.076 425 L CA 2.077 56.898 54.840 -0.033 0.000 0.749 425 L CB -0.715 41.333 42.059 -0.018 0.000 0.893 425 L HN 0.293 nan 8.230 nan 0.000 0.432 426 R N -1.083 119.425 120.500 0.013 0.000 2.090 426 R HA -0.065 4.269 4.340 -0.010 0.000 0.228 426 R C 2.226 178.572 176.300 0.077 0.000 1.110 426 R CA 0.970 57.098 56.100 0.047 0.000 0.973 426 R CB -0.542 29.780 30.300 0.037 0.000 0.869 426 R HN 0.191 nan 8.270 nan 0.000 0.440 427 R N 0.379 120.906 120.500 0.044 0.000 2.075 427 R HA 0.069 4.403 4.340 -0.010 0.000 0.232 427 R C 2.146 178.516 176.300 0.118 0.000 1.126 427 R CA 1.824 57.970 56.100 0.077 0.000 0.963 427 R CB -0.192 30.113 30.300 0.009 0.000 0.858 427 R HN 0.325 nan 8.270 nan 0.000 0.435 428 M N 0.223 119.818 119.600 -0.008 0.000 2.541 428 M HA 0.040 4.514 4.480 -0.010 0.000 0.252 428 M C 0.862 177.311 176.300 0.247 0.000 1.125 428 M CA 0.031 55.272 55.300 -0.098 0.000 1.091 428 M CB 0.398 32.789 32.600 -0.348 0.000 1.420 428 M HN -0.074 nan 8.290 nan 0.000 0.486 429 S N 1.091 116.950 115.700 0.264 0.000 2.558 429 S HA 0.077 4.541 4.470 -0.010 0.000 0.288 429 S C 1.158 176.010 174.600 0.420 0.000 1.318 429 S CA -0.292 58.090 58.200 0.304 0.000 1.056 429 S CB 0.582 63.904 63.200 0.203 0.000 0.853 429 S HN 0.368 nan 8.310 nan 0.000 0.505 430 L N 4.108 125.532 121.223 0.335 0.000 2.291 430 L HA 0.090 4.424 4.340 -0.010 0.000 0.214 430 L C 0.339 177.317 176.870 0.179 0.000 1.120 430 L CA 0.330 55.326 54.840 0.259 0.000 0.799 430 L CB -0.477 41.680 42.059 0.163 0.000 0.925 430 L HN 0.400 nan 8.230 nan 0.000 0.446 431 V N 1.027 121.059 119.914 0.197 0.000 2.364 431 V HA 0.155 4.269 4.120 -0.010 0.000 0.272 431 V C 0.109 176.289 176.094 0.144 0.000 1.036 431 V CA -0.546 61.860 62.300 0.176 0.000 0.880 431 V CB 1.221 33.181 31.823 0.228 0.000 0.991 431 V HN 0.183 nan 8.190 nan 0.000 0.460 432 E N 3.474 123.739 120.200 0.108 0.000 2.146 432 E HA 0.392 4.736 4.350 -0.010 0.000 0.282 432 E C -0.646 176.005 176.600 0.085 0.000 0.989 432 E CA -0.540 55.912 56.400 0.088 0.000 0.799 432 E CB 1.845 31.575 29.700 0.050 0.000 1.088 432 E HN 0.607 nan 8.360 nan 0.000 0.397 433 E N 0.976 121.222 120.200 0.078 0.000 2.314 433 E HA 0.614 4.958 4.350 -0.010 0.000 0.262 433 E C 0.206 176.843 176.600 0.061 0.000 1.093 433 E CA 0.316 56.757 56.400 0.068 0.000 0.908 433 E CB 1.446 31.180 29.700 0.057 0.000 1.091 433 E HN 0.650 nan 8.360 nan 0.000 0.425 434 G N -0.343 108.493 108.800 0.059 0.000 2.332 434 G HA2 0.256 4.210 3.960 -0.010 0.000 0.265 434 G HA3 0.256 4.210 3.960 -0.010 0.000 0.265 434 G C 0.378 175.312 174.900 0.058 0.000 1.329 434 G CA 0.161 45.293 45.100 0.054 0.000 0.949 434 G HN 0.580 nan 8.290 nan 0.000 0.476 435 A N -0.812 122.042 122.820 0.057 0.000 1.859 435 A HA 0.313 4.627 4.320 -0.010 0.000 0.218 435 A C 1.733 179.362 177.584 0.075 0.000 1.209 435 A CA 3.782 55.854 52.037 0.058 0.000 0.639 435 A CB -1.256 17.778 19.000 0.056 0.000 0.835 435 A HN 2.318 nan 8.150 nan 0.000 0.450 436 V N -2.682 117.290 119.914 0.095 0.000 2.513 436 V HA 0.526 4.640 4.120 -0.010 0.000 0.299 436 V C -0.437 175.732 176.094 0.125 0.000 1.035 436 V CA -1.376 61.004 62.300 0.134 0.000 0.889 436 V CB 1.392 33.327 31.823 0.188 0.000 0.988 436 V HN 0.336 nan 8.190 nan 0.000 0.440 437 K N 4.267 124.749 120.400 0.137 0.000 2.326 437 K HA 0.477 4.791 4.320 -0.010 0.000 0.275 437 K C -0.368 176.307 176.600 0.125 0.000 1.018 437 K CA -0.148 56.215 56.287 0.128 0.000 0.962 437 K CB 0.868 33.455 32.500 0.145 0.000 0.953 437 K HN 0.743 nan 8.250 nan 0.000 0.475 438 R N 1.581 122.142 120.500 0.102 0.000 2.837 438 R HA 0.465 4.799 4.340 -0.010 0.000 0.271 438 R C -0.623 175.719 176.300 0.071 0.000 0.993 438 R CA -1.024 55.125 56.100 0.083 0.000 0.931 438 R CB 1.339 31.669 30.300 0.050 0.000 1.206 438 R HN 0.373 nan 8.270 nan 0.000 0.474 439 I N 2.038 122.646 120.570 0.064 0.000 2.321 439 I HA 0.150 4.314 4.170 -0.010 0.000 0.291 439 I C -0.074 176.028 176.117 -0.025 0.000 0.998 439 I CA -0.725 60.598 61.300 0.039 0.000 1.227 439 I CB 1.005 39.029 38.000 0.039 0.000 1.368 439 I HN 0.494 nan 8.210 nan 0.000 0.466 440 N N 7.135 125.786 118.700 -0.083 0.000 2.402 440 N HA 0.098 4.832 4.740 -0.010 0.000 0.252 440 N C 0.773 176.176 175.510 -0.178 0.000 1.118 440 N CA -0.295 52.620 53.050 -0.225 0.000 0.945 440 N CB 0.996 39.190 38.487 -0.490 0.000 1.147 440 N HN 0.376 nan 8.380 nan 0.000 0.495 441 M N 2.461 121.959 119.600 -0.170 0.000 2.319 441 M HA -0.024 4.450 4.480 -0.010 0.000 0.265 441 M C 1.898 178.049 176.300 -0.248 0.000 1.068 441 M CA 0.581 55.800 55.300 -0.135 0.000 1.118 441 M CB -1.488 31.081 32.600 -0.052 0.000 1.395 441 M HN 0.603 nan 8.290 nan 0.000 0.435 442 A N -0.268 122.400 122.820 -0.254 0.000 1.898 442 A HA -0.170 4.144 4.320 -0.010 0.000 0.216 442 A C 1.982 179.334 177.584 -0.388 0.000 1.181 442 A CA 1.457 53.299 52.037 -0.324 0.000 0.620 442 A CB -1.123 17.899 19.000 0.036 0.000 0.819 442 A HN 0.588 nan 8.150 nan 0.000 0.442 443 H N -1.033 117.815 119.070 -0.369 0.000 2.387 443 H HA -0.034 4.516 4.556 -0.010 0.000 0.299 443 H C 2.128 177.225 175.328 -0.384 0.000 1.090 443 H CA 0.943 56.737 56.048 -0.424 0.000 1.332 443 H CB -0.076 29.658 29.762 -0.047 0.000 1.386 443 H HN 0.368 nan 8.280 nan 0.000 0.516 444 L N 0.431 121.569 121.223 -0.141 0.000 2.012 444 L HA -0.236 4.098 4.340 -0.010 0.000 0.210 444 L C 2.282 179.014 176.870 -0.230 0.000 1.073 444 L CA 1.328 56.084 54.840 -0.141 0.000 0.748 444 L CB -0.395 41.610 42.059 -0.090 0.000 0.891 444 L HN 0.449 nan 8.230 nan 0.000 0.431 445 C N -0.039 119.022 119.300 -0.399 0.000 2.429 445 C HA -0.166 4.288 4.460 -0.010 0.000 0.277 445 C C 2.653 177.380 174.990 -0.439 0.000 1.262 445 C CA 0.587 59.291 59.018 -0.523 0.000 1.733 445 C CB -0.733 26.325 27.740 -1.136 0.000 2.010 445 C HN 0.510 nan 8.230 nan 0.000 0.483 446 I N 1.484 121.735 120.570 -0.531 0.000 2.179 446 I HA -0.204 3.960 4.170 -0.010 0.000 0.242 446 I C 2.778 178.725 176.117 -0.283 0.000 1.088 446 I CA 1.672 62.695 61.300 -0.462 0.000 1.357 446 I CB -0.632 36.922 38.000 -0.744 0.000 1.051 446 I HN 0.263 nan 8.210 nan 0.000 0.409 447 A N 0.647 123.267 122.820 -0.335 0.000 1.908 447 A HA -0.147 4.167 4.320 -0.010 0.000 0.218 447 A C 2.228 179.851 177.584 0.065 0.000 1.181 447 A CA 2.054 53.938 52.037 -0.255 0.000 0.627 447 A CB -1.270 17.415 19.000 -0.524 0.000 0.818 447 A HN 0.496 nan 8.150 nan 0.000 0.445 448 G N -1.314 107.464 108.800 -0.036 0.000 3.284 448 G HA2 0.415 4.369 3.960 -0.010 0.000 0.236 448 G HA3 0.415 4.369 3.960 -0.010 0.000 0.236 448 G C 0.102 174.842 174.900 -0.267 0.000 1.158 448 G CA 0.517 45.483 45.100 -0.223 0.000 0.774 448 G HN 0.356 nan 8.290 nan 0.000 0.545 449 S N -0.250 115.345 115.700 -0.176 0.000 2.513 449 S HA 0.314 4.778 4.470 -0.010 0.000 0.299 449 S C 0.786 175.331 174.600 -0.091 0.000 1.087 449 S CA -0.705 57.416 58.200 -0.132 0.000 1.012 449 S CB 1.297 64.420 63.200 -0.130 0.000 1.044 449 S HN 0.503 nan 8.310 nan 0.000 0.485 450 H N 0.127 119.158 119.070 -0.066 0.000 2.548 450 H HA 0.439 4.989 4.556 -0.010 0.000 0.268 450 H C 0.166 175.482 175.328 -0.020 0.000 0.975 450 H CA 0.357 56.395 56.048 -0.017 0.000 1.195 450 H CB 0.145 29.911 29.762 0.007 0.000 1.397 450 H HN 0.509 nan 8.280 nan 0.000 0.572 451 A N 1.105 123.603 122.820 -0.536 0.000 2.455 451 A HA 0.564 4.878 4.320 -0.010 0.000 0.300 451 A C -1.354 176.027 177.584 -0.339 0.000 1.040 451 A CA -0.585 51.203 52.037 -0.414 0.000 0.697 451 A CB 2.298 21.019 19.000 -0.465 0.000 1.265 451 A HN 0.102 nan 8.150 nan 0.000 0.407 452 V N 4.223 123.903 119.914 -0.389 0.000 2.531 452 V HA 0.524 4.639 4.120 -0.010 0.000 0.301 452 V C -0.796 175.108 176.094 -0.316 0.000 1.034 452 V CA -0.777 61.284 62.300 -0.398 0.000 0.865 452 V CB 1.808 33.230 31.823 -0.668 0.000 0.995 452 V HN 1.009 nan 8.190 nan 0.000 0.424 453 N N 3.252 121.787 118.700 -0.275 0.000 2.238 453 N HA 0.582 5.316 4.740 -0.010 0.000 0.302 453 N C -0.221 175.189 175.510 -0.167 0.000 1.072 453 N CA -0.352 52.581 53.050 -0.195 0.000 0.792 453 N CB 2.827 41.178 38.487 -0.227 0.000 1.425 453 N HN 0.631 nan 8.380 nan 0.000 0.478 454 G N -0.596 108.145 108.800 -0.098 0.000 2.557 454 G HA2 0.405 4.359 3.960 -0.010 0.000 0.292 454 G HA3 0.405 4.359 3.960 -0.010 0.000 0.292 454 G C 0.815 175.780 174.900 0.109 0.000 1.237 454 G CA -0.407 44.700 45.100 0.012 0.000 0.978 454 G HN 0.656 nan 8.290 nan 0.000 0.498 455 V N -3.852 116.234 119.914 0.287 0.000 3.528 455 V HA 0.700 4.814 4.120 -0.010 0.000 0.294 455 V C 0.578 176.750 176.094 0.131 0.000 1.404 455 V CA 0.455 62.837 62.300 0.138 0.000 1.065 455 V CB -0.708 31.153 31.823 0.064 0.000 0.904 455 V HN 1.314 nan 8.190 nan 0.000 0.435 456 A N -0.047 122.864 122.820 0.150 0.000 2.608 456 A HA 0.650 4.964 4.320 -0.010 0.000 0.292 456 A C 0.710 178.345 177.584 0.084 0.000 1.066 456 A CA -0.109 51.993 52.037 0.109 0.000 0.676 456 A CB 1.244 20.297 19.000 0.089 0.000 1.277 456 A HN 0.020 nan 8.150 nan 0.000 0.413 457 R N 0.652 121.180 120.500 0.048 0.000 2.096 457 R HA -0.163 4.171 4.340 -0.010 0.000 0.240 457 R C 1.662 177.961 176.300 -0.002 0.000 1.139 457 R CA 2.315 58.420 56.100 0.010 0.000 0.952 457 R CB -0.256 30.045 30.300 0.001 0.000 0.854 457 R HN 0.816 nan 8.270 nan 0.000 0.436 458 I N 0.225 120.803 120.570 0.014 0.000 2.286 458 I HA -0.294 3.870 4.170 -0.010 0.000 0.248 458 I C 2.349 178.477 176.117 0.017 0.000 1.115 458 I CA 1.842 63.143 61.300 0.003 0.000 1.392 458 I CB -0.217 37.784 38.000 0.002 0.000 1.065 458 I HN 0.348 nan 8.210 nan 0.000 0.418 459 H N 0.253 119.296 119.070 -0.045 0.000 2.326 459 H HA -0.113 4.437 4.556 -0.010 0.000 0.301 459 H C 2.263 177.558 175.328 -0.055 0.000 1.081 459 H CA 2.184 58.200 56.048 -0.053 0.000 1.334 459 H CB -0.278 29.458 29.762 -0.044 0.000 1.385 459 H HN 0.232 nan 8.280 nan 0.000 0.504 460 S N 0.391 115.969 115.700 -0.204 0.000 2.399 460 S HA -0.121 4.343 4.470 -0.010 0.000 0.231 460 S C 1.850 176.331 174.600 -0.198 0.000 1.022 460 S CA 1.197 59.260 58.200 -0.228 0.000 0.983 460 S CB -0.060 63.078 63.200 -0.102 0.000 0.803 460 S HN 0.491 nan 8.310 nan 0.000 0.480 461 E N 1.161 121.266 120.200 -0.158 0.000 2.072 461 E HA 0.037 4.381 4.350 -0.010 0.000 0.190 461 E C 2.036 178.526 176.600 -0.183 0.000 0.982 461 E CA 0.566 56.865 56.400 -0.167 0.000 0.803 461 E CB -0.358 29.275 29.700 -0.113 0.000 0.755 461 E HN 0.502 nan 8.360 nan 0.000 0.453 462 I N 1.124 121.599 120.570 -0.159 0.000 2.208 462 I HA -0.283 3.881 4.170 -0.010 0.000 0.245 462 I C 2.439 178.433 176.117 -0.204 0.000 1.097 462 I CA 0.847 62.057 61.300 -0.150 0.000 1.363 462 I CB -0.266 37.677 38.000 -0.094 0.000 1.051 462 I HN 0.057 nan 8.210 nan 0.000 0.413 463 L N 0.423 121.485 121.223 -0.269 0.000 2.042 463 L HA -0.251 4.083 4.340 -0.010 0.000 0.210 463 L C 2.510 179.272 176.870 -0.181 0.000 1.076 463 L CA 1.656 56.350 54.840 -0.244 0.000 0.749 463 L CB -0.580 41.398 42.059 -0.135 0.000 0.893 463 L HN 0.222 nan 8.230 nan 0.000 0.432 464 K N -0.105 120.121 120.400 -0.291 0.000 2.217 464 K HA -0.111 4.203 4.320 -0.010 0.000 0.202 464 K C 1.998 178.413 176.600 -0.308 0.000 1.051 464 K CA 0.921 56.907 56.287 -0.502 0.000 0.952 464 K CB 0.064 32.024 32.500 -0.901 0.000 0.736 464 K HN 0.300 nan 8.250 nan 0.000 0.453 465 K N -0.030 120.241 120.400 -0.216 0.000 2.284 465 K HA -0.019 4.295 4.320 -0.010 0.000 0.198 465 K C 1.873 178.421 176.600 -0.087 0.000 1.048 465 K CA 1.294 57.504 56.287 -0.129 0.000 0.987 465 K CB 0.472 32.904 32.500 -0.113 0.000 0.800 465 K HN 0.242 nan 8.250 nan 0.000 0.486 466 T N -1.262 113.230 114.554 -0.104 0.000 3.257 466 T HA 0.072 4.416 4.350 -0.010 0.000 0.176 466 T C 1.882 176.538 174.700 -0.073 0.000 0.892 466 T CA -0.064 61.986 62.100 -0.083 0.000 1.147 466 T CB -0.719 68.093 68.868 -0.094 0.000 1.840 466 T HN 0.102 nan 8.240 nan 0.000 0.375 467 I N -0.983 119.484 120.570 -0.172 0.000 2.493 467 I HA 0.232 4.396 4.170 -0.010 0.000 0.254 467 I C 1.476 177.594 176.117 0.001 0.000 1.160 467 I CA 1.332 62.515 61.300 -0.195 0.000 1.445 467 I CB -0.601 37.145 38.000 -0.425 0.000 1.086 467 I HN 0.262 nan 8.210 nan 0.000 0.433 468 F N 0.827 120.852 119.950 0.125 0.000 2.668 468 F HA 0.324 4.845 4.527 -0.010 0.000 0.301 468 F C 2.058 177.943 175.800 0.142 0.000 1.106 468 F CA -0.632 57.511 58.000 0.237 0.000 1.289 468 F CB 0.148 39.302 39.000 0.257 0.000 1.006 468 F HN -0.087 nan 8.300 nan 0.000 0.535 469 K N 1.131 121.641 120.400 0.183 0.000 2.044 469 K HA -0.227 4.087 4.320 -0.010 0.000 0.210 469 K C 1.371 178.018 176.600 0.077 0.000 1.049 469 K CA 2.233 58.569 56.287 0.081 0.000 0.927 469 K CB -0.035 32.479 32.500 0.024 0.000 0.713 469 K HN 0.140 nan 8.250 nan 0.000 0.443 470 D N -0.183 120.236 120.400 0.032 0.000 2.123 470 D HA -0.166 4.468 4.640 -0.010 0.000 0.196 470 D C 1.800 178.002 176.300 -0.163 0.000 0.992 470 D CA 1.276 55.169 54.000 -0.179 0.000 0.833 470 D CB -0.281 40.315 40.800 -0.341 0.000 0.954 470 D HN 0.253 nan 8.370 nan 0.000 0.455 471 F N -0.299 119.716 119.950 0.108 0.000 2.206 471 F HA -0.122 4.399 4.527 -0.010 0.000 0.298 471 F C 2.314 178.235 175.800 0.201 0.000 1.090 471 F CA 0.416 58.556 58.000 0.234 0.000 1.323 471 F CB -0.623 38.589 39.000 0.354 0.000 1.028 471 F HN -0.038 nan 8.300 nan 0.000 0.492 472 Y N 1.413 121.658 120.300 -0.093 0.000 2.224 472 Y HA -0.195 4.349 4.550 -0.010 0.000 0.289 472 Y C 2.105 177.970 175.900 -0.058 0.000 1.146 472 Y CA 1.630 59.492 58.100 -0.395 0.000 1.182 472 Y CB -0.608 37.455 38.460 -0.661 0.000 0.983 472 Y HN 0.127 nan 8.280 nan 0.000 0.524 473 E N -0.181 119.949 120.200 -0.116 0.000 2.150 473 E HA -0.183 4.161 4.350 -0.010 0.000 0.193 473 E C 2.219 178.872 176.600 0.088 0.000 0.985 473 E CA 0.957 57.308 56.400 -0.082 0.000 0.814 473 E CB -0.179 29.515 29.700 -0.011 0.000 0.752 473 E HN 0.445 nan 8.360 nan 0.000 0.466 474 L N 0.658 121.969 121.223 0.147 0.000 2.068 474 L HA -0.033 4.301 4.340 -0.010 0.000 0.204 474 L C 0.160 177.108 176.870 0.131 0.000 1.076 474 L CA 1.480 56.448 54.840 0.213 0.000 0.753 474 L CB 0.210 42.392 42.059 0.206 0.000 0.910 474 L HN 0.024 nan 8.230 nan 0.000 0.439 475 E N -0.049 120.220 120.200 0.115 0.000 3.132 475 E HA 0.158 4.502 4.350 -0.010 0.000 0.241 475 E C -1.898 174.630 176.600 -0.120 0.000 1.196 475 E CA -1.341 55.033 56.400 -0.042 0.000 0.869 475 E CB 1.086 30.772 29.700 -0.023 0.000 1.387 475 E HN 0.198 nan 8.360 nan 0.000 0.393 476 P HA -0.238 nan 4.420 nan 0.000 0.218 476 P C 1.192 178.592 177.300 0.167 0.000 1.149 476 P CA 1.357 64.369 63.100 -0.147 0.000 0.817 476 P CB -0.040 31.477 31.700 -0.306 0.000 0.785 477 H N 0.161 119.343 119.070 0.186 0.000 2.489 477 H HA 0.059 4.609 4.556 -0.010 0.000 0.293 477 H C 1.457 176.884 175.328 0.165 0.000 1.066 477 H CA 0.794 56.939 56.048 0.161 0.000 1.305 477 H CB -0.668 29.157 29.762 0.106 0.000 1.386 477 H HN 0.162 nan 8.280 nan 0.000 0.551 478 K N 0.313 120.652 120.400 -0.101 0.000 2.217 478 K HA 0.032 4.346 4.320 -0.010 0.000 0.202 478 K C -0.133 176.358 176.600 -0.183 0.000 1.051 478 K CA 0.299 56.504 56.287 -0.136 0.000 0.952 478 K CB 0.099 32.405 32.500 -0.323 0.000 0.736 478 K HN 0.112 nan 8.250 nan 0.000 0.453 479 F N 1.734 121.715 119.950 0.052 0.000 2.420 479 F HA 0.183 4.704 4.527 -0.010 0.000 0.352 479 F C 0.464 176.268 175.800 0.006 0.000 1.108 479 F CA -0.261 57.768 58.000 0.049 0.000 1.162 479 F CB 1.001 40.081 39.000 0.134 0.000 1.118 479 F HN -0.118 nan 8.300 nan 0.000 0.510 480 Q N 1.879 121.709 119.800 0.050 0.000 2.528 480 Q HA 0.337 4.671 4.340 -0.010 0.000 0.289 480 Q C -1.155 174.806 176.000 -0.065 0.000 1.091 480 Q CA -1.231 54.554 55.803 -0.029 0.000 0.797 480 Q CB 3.157 31.823 28.738 -0.119 0.000 1.466 480 Q HN 0.619 nan 8.270 nan 0.000 0.436 481 N N 0.813 119.459 118.700 -0.090 0.000 2.314 481 N HA 0.273 5.007 4.740 -0.010 0.000 0.304 481 N C -1.404 174.010 175.510 -0.161 0.000 1.073 481 N CA -0.383 52.609 53.050 -0.097 0.000 0.822 481 N CB 0.959 39.410 38.487 -0.059 0.000 1.280 481 N HN 0.276 nan 8.380 nan 0.000 0.489 482 K N 2.731 123.037 120.400 -0.157 0.000 2.675 482 K HA 0.183 4.497 4.320 -0.010 0.000 0.224 482 K C -0.965 175.638 176.600 0.004 0.000 1.003 482 K CA -0.498 55.671 56.287 -0.197 0.000 1.034 482 K CB 1.313 33.471 32.500 -0.570 0.000 1.218 482 K HN 0.540 nan 8.250 nan 0.000 0.507 483 T N 2.162 116.737 114.554 0.036 0.000 2.902 483 T HA 0.055 4.399 4.350 -0.010 0.000 0.301 483 T C 0.785 175.608 174.700 0.204 0.000 1.012 483 T CA 0.339 62.511 62.100 0.121 0.000 1.151 483 T CB 0.272 69.213 68.868 0.121 0.000 0.946 483 T HN 0.361 nan 8.240 nan 0.000 0.542 484 N N 0.610 119.452 118.700 0.237 0.000 2.267 484 N HA 0.401 5.135 4.740 -0.010 0.000 0.226 484 N C 0.475 176.168 175.510 0.305 0.000 1.314 484 N CA -0.138 53.085 53.050 0.288 0.000 0.887 484 N CB 0.390 38.989 38.487 0.186 0.000 1.120 484 N HN 0.758 nan 8.380 nan 0.000 0.440 485 G N -0.626 108.362 108.800 0.314 0.000 2.687 485 G HA2 0.610 4.564 3.960 -0.010 0.000 0.291 485 G HA3 0.610 4.564 3.960 -0.010 0.000 0.291 485 G C -1.399 173.629 174.900 0.214 0.000 1.420 485 G CA -0.737 44.531 45.100 0.280 0.000 0.796 485 G HN 0.597 nan 8.290 nan 0.000 0.485 486 I N -2.322 118.359 120.570 0.184 0.000 2.828 486 I HA 0.735 4.899 4.170 -0.010 0.000 0.302 486 I C -0.186 176.081 176.117 0.251 0.000 1.101 486 I CA -0.945 60.455 61.300 0.167 0.000 1.031 486 I CB 2.444 40.431 38.000 -0.022 0.000 1.231 486 I HN 0.484 nan 8.210 nan 0.000 0.427 487 T N 4.310 119.066 114.554 0.337 0.000 2.814 487 T HA 0.348 4.692 4.350 -0.010 0.000 0.297 487 T C -1.457 173.364 174.700 0.200 0.000 0.956 487 T CA -1.528 60.699 62.100 0.213 0.000 1.123 487 T CB 0.745 69.685 68.868 0.120 0.000 0.902 487 T HN 0.634 nan 8.240 nan 0.000 0.528 488 P HA 0.082 nan 4.420 nan 0.000 0.241 488 P C 1.086 178.356 177.300 -0.051 0.000 1.191 488 P CA 0.248 63.387 63.100 0.066 0.000 0.771 488 P CB 0.350 32.077 31.700 0.045 0.000 0.929 489 R N 0.482 120.904 120.500 -0.130 0.000 2.064 489 R HA 0.001 4.335 4.340 -0.010 0.000 0.228 489 R C 2.668 178.847 176.300 -0.201 0.000 1.144 489 R CA 1.573 57.552 56.100 -0.202 0.000 0.932 489 R CB -1.223 28.956 30.300 -0.201 0.000 0.833 489 R HN 0.043 nan 8.270 nan 0.000 0.429 490 R N -0.819 119.507 120.500 -0.289 0.000 2.081 490 R HA -0.129 4.205 4.340 -0.010 0.000 0.235 490 R C 1.127 177.084 176.300 -0.572 0.000 1.131 490 R CA 1.729 57.498 56.100 -0.551 0.000 0.960 490 R CB -0.171 29.598 30.300 -0.884 0.000 0.856 490 R HN 0.304 nan 8.270 nan 0.000 0.436 491 W N -0.497 120.757 121.300 -0.077 0.000 3.353 491 W HA 0.161 4.814 4.660 -0.011 0.000 0.304 491 W C 1.014 177.501 176.519 -0.054 0.000 1.273 491 W CA -0.683 56.616 57.345 -0.077 0.000 1.773 491 W CB 0.446 29.863 29.460 -0.070 0.000 1.095 491 W HN 0.219 nan 8.180 nan 0.000 0.676 492 L N -2.180 119.098 121.223 0.091 0.000 2.692 492 L HA 0.199 4.533 4.340 -0.010 0.000 0.175 492 L C 1.762 178.646 176.870 0.023 0.000 1.112 492 L CA 0.821 55.708 54.840 0.079 0.000 0.908 492 L CB -0.832 41.302 42.059 0.125 0.000 1.672 492 L HN -0.246 nan 8.230 nan 0.000 0.500 493 V N 0.966 120.869 119.914 -0.018 0.000 2.295 493 V HA -0.257 3.857 4.120 -0.010 0.000 0.246 493 V C 2.445 178.507 176.094 -0.054 0.000 1.049 493 V CA 2.409 64.688 62.300 -0.036 0.000 1.024 493 V CB -0.633 31.137 31.823 -0.088 0.000 0.648 493 V HN 0.499 nan 8.190 nan 0.000 0.447 494 L N 0.500 121.661 121.223 -0.104 0.000 2.005 494 L HA -0.186 4.148 4.340 -0.010 0.000 0.207 494 L C 2.495 179.297 176.870 -0.114 0.000 1.072 494 L CA 2.414 57.176 54.840 -0.129 0.000 0.744 494 L CB -0.273 41.658 42.059 -0.213 0.000 0.895 494 L HN 0.651 nan 8.230 nan 0.000 0.433 495 C N -1.806 117.422 119.300 -0.120 0.000 2.563 495 C HA 0.202 4.656 4.460 -0.010 0.000 0.268 495 C C 1.214 176.183 174.990 -0.035 0.000 1.365 495 C CA -0.275 58.690 59.018 -0.089 0.000 1.754 495 C CB -0.993 26.694 27.740 -0.089 0.000 1.932 495 C HN 0.595 nan 8.230 nan 0.000 0.536 496 N N 1.130 119.821 118.700 -0.015 0.000 2.703 496 N HA 0.285 5.019 4.740 -0.010 0.000 0.283 496 N C -1.828 173.691 175.510 0.015 0.000 1.851 496 N CA -1.523 51.531 53.050 0.006 0.000 0.826 496 N CB 0.741 39.242 38.487 0.022 0.000 1.239 496 N HN 0.251 nan 8.380 nan 0.000 0.495 497 P HA -0.029 nan 4.420 nan 0.000 0.218 497 P C 1.417 178.731 177.300 0.023 0.000 1.149 497 P CA 0.839 63.948 63.100 0.014 0.000 0.817 497 P CB 0.246 31.947 31.700 0.002 0.000 0.785 498 G N 0.784 109.593 108.800 0.015 0.000 2.446 498 G HA2 -0.260 3.694 3.960 -0.010 0.000 0.217 498 G HA3 -0.260 3.694 3.960 -0.010 0.000 0.217 498 G C 1.516 176.425 174.900 0.015 0.000 1.168 498 G CA 0.762 45.869 45.100 0.011 0.000 0.771 498 G HN 0.251 nan 8.290 nan 0.000 0.551 499 L N 1.303 122.537 121.223 0.017 0.000 2.056 499 L HA 0.241 4.575 4.340 -0.010 0.000 0.207 499 L C 3.097 180.000 176.870 0.053 0.000 1.078 499 L CA 2.022 56.873 54.840 0.018 0.000 0.749 499 L CB -0.795 41.274 42.059 0.017 0.000 0.901 499 L HN 0.241 nan 8.230 nan 0.000 0.433 500 A N -0.719 122.153 122.820 0.087 0.000 1.917 500 A HA -0.281 4.033 4.320 -0.010 0.000 0.219 500 A C 2.255 179.936 177.584 0.161 0.000 1.182 500 A CA 1.944 54.084 52.037 0.172 0.000 0.633 500 A CB -0.704 18.387 19.000 0.152 0.000 0.819 500 A HN 0.555 nan 8.150 nan 0.000 0.448 501 E N 0.572 120.828 120.200 0.093 0.000 2.047 501 E HA -0.152 4.192 4.350 -0.010 0.000 0.191 501 E C 1.848 178.489 176.600 0.067 0.000 0.987 501 E CA 1.555 58.000 56.400 0.074 0.000 0.799 501 E CB -0.518 29.207 29.700 0.043 0.000 0.752 501 E HN 0.743 nan 8.360 nan 0.000 0.449 502 I N -1.625 118.981 120.570 0.058 0.000 2.361 502 I HA -0.152 4.012 4.170 -0.010 0.000 0.251 502 I C 2.157 178.345 176.117 0.117 0.000 1.133 502 I CA 1.160 62.508 61.300 0.080 0.000 1.413 502 I CB -0.381 37.652 38.000 0.055 0.000 1.073 502 I HN 0.021 nan 8.210 nan 0.000 0.424 503 I N 1.993 122.609 120.570 0.077 0.000 2.202 503 I HA -0.210 3.954 4.170 -0.010 0.000 0.242 503 I C 3.020 179.095 176.117 -0.069 0.000 1.091 503 I CA 1.397 62.665 61.300 -0.053 0.000 1.368 503 I CB -0.521 37.325 38.000 -0.257 0.000 1.058 503 I HN 0.310 nan 8.210 nan 0.000 0.410 504 A N 0.412 123.285 122.820 0.090 0.000 1.933 504 A HA -0.227 4.087 4.320 -0.010 0.000 0.218 504 A C 2.170 179.786 177.584 0.054 0.000 1.175 504 A CA 1.624 53.760 52.037 0.165 0.000 0.628 504 A CB -0.604 18.517 19.000 0.202 0.000 0.814 504 A HN 0.453 nan 8.150 nan 0.000 0.444 505 E N -0.716 119.495 120.200 0.019 0.000 2.118 505 E HA -0.214 4.130 4.350 -0.010 0.000 0.195 505 E C 2.229 178.789 176.600 -0.066 0.000 0.992 505 E CA 1.159 57.553 56.400 -0.010 0.000 0.804 505 E CB -0.071 29.628 29.700 -0.001 0.000 0.741 505 E HN 0.411 nan 8.360 nan 0.000 0.458 506 R N 0.166 120.568 120.500 -0.163 0.000 2.075 506 R HA 0.064 4.398 4.340 -0.010 0.000 0.220 506 R C 2.343 178.554 176.300 -0.148 0.000 1.118 506 R CA 0.932 56.850 56.100 -0.303 0.000 0.986 506 R CB -0.404 29.388 30.300 -0.847 0.000 0.884 506 R HN 0.343 nan 8.270 nan 0.000 0.439 507 I N -3.151 117.354 120.570 -0.109 0.000 4.081 507 I HA 0.448 4.612 4.170 -0.010 0.000 0.333 507 I C 0.481 176.637 176.117 0.066 0.000 1.413 507 I CA 0.123 61.415 61.300 -0.014 0.000 1.110 507 I CB 0.708 38.687 38.000 -0.036 0.000 1.082 507 I HN 0.180 nan 8.210 nan 0.000 0.402 508 G N 2.085 110.933 108.800 0.080 0.000 2.660 508 G HA2 -0.231 3.723 3.960 -0.010 0.000 0.215 508 G HA3 -0.231 3.723 3.960 -0.010 0.000 0.215 508 G C 0.001 175.022 174.900 0.202 0.000 1.345 508 G CA 0.257 45.424 45.100 0.111 0.000 0.877 508 G HN 0.438 nan 8.290 nan 0.000 0.549 509 E N -0.153 120.116 120.200 0.115 0.000 2.460 509 E HA 0.112 4.457 4.350 -0.010 0.000 0.200 509 E C 2.024 178.574 176.600 -0.084 0.000 1.011 509 E CA 0.337 56.748 56.400 0.018 0.000 0.912 509 E CB 0.267 29.972 29.700 0.008 0.000 0.953 509 E HN 0.626 nan 8.360 nan 0.000 0.494 510 E N 0.343 120.561 120.200 0.031 0.000 2.267 510 E HA -0.217 4.127 4.350 -0.010 0.000 0.197 510 E C 1.643 178.241 176.600 -0.003 0.000 0.998 510 E CA 1.103 57.516 56.400 0.022 0.000 0.830 510 E CB -0.158 29.577 29.700 0.059 0.000 0.751 510 E HN 0.489 nan 8.360 nan 0.000 0.491 511 Y N -0.717 119.588 120.300 0.009 0.000 2.421 511 Y HA -0.075 4.470 4.550 -0.009 0.000 0.292 511 Y C 1.774 177.653 175.900 -0.034 0.000 1.136 511 Y CA 0.579 58.675 58.100 -0.005 0.000 1.255 511 Y CB -0.519 37.941 38.460 -0.001 0.000 0.991 511 Y HN -0.063 nan 8.280 nan 0.000 0.552 512 I N 0.997 121.110 120.570 -0.761 0.000 2.361 512 I HA -0.241 3.923 4.170 -0.010 0.000 0.251 512 I C 1.793 177.665 176.117 -0.408 0.000 1.133 512 I CA 1.830 62.726 61.300 -0.673 0.000 1.413 512 I CB -0.395 37.114 38.000 -0.818 0.000 1.073 512 I HN 0.480 nan 8.210 nan 0.000 0.424 513 S N -2.080 113.487 115.700 -0.222 0.000 2.650 513 S HA 0.165 4.629 4.470 -0.010 0.000 0.240 513 S C 0.177 174.766 174.600 -0.019 0.000 1.007 513 S CA -0.458 57.689 58.200 -0.088 0.000 0.984 513 S CB 0.299 63.520 63.200 0.036 0.000 0.910 513 S HN 0.294 nan 8.310 nan 0.000 0.509 514 D N 0.619 121.016 120.400 -0.005 0.000 2.823 514 D HA 0.251 4.885 4.640 -0.010 0.000 0.255 514 D C 0.313 176.657 176.300 0.072 0.000 1.257 514 D CA -0.371 53.649 54.000 0.032 0.000 0.803 514 D CB 0.403 41.226 40.800 0.038 0.000 1.384 514 D HN 0.087 nan 8.370 nan 0.000 0.541 515 L N 1.185 122.450 121.223 0.071 0.000 2.265 515 L HA 0.006 4.340 4.340 -0.010 0.000 0.215 515 L C 1.427 178.348 176.870 0.085 0.000 1.117 515 L CA 1.504 56.415 54.840 0.117 0.000 0.782 515 L CB -0.072 42.050 42.059 0.104 0.000 0.914 515 L HN 0.281 nan 8.230 nan 0.000 0.441 516 D N -0.718 119.709 120.400 0.045 0.000 2.265 516 D HA -0.215 4.419 4.640 -0.010 0.000 0.208 516 D C 1.895 178.214 176.300 0.032 0.000 0.977 516 D CA 0.811 54.823 54.000 0.020 0.000 0.871 516 D CB 0.067 40.866 40.800 -0.001 0.000 0.925 516 D HN 0.558 nan 8.370 nan 0.000 0.485 517 Q N -0.206 119.631 119.800 0.062 0.000 2.364 517 Q HA -0.099 4.235 4.340 -0.010 0.000 0.209 517 Q C 1.832 177.851 176.000 0.031 0.000 0.977 517 Q CA 0.172 56.013 55.803 0.063 0.000 0.885 517 Q CB 0.062 28.866 28.738 0.110 0.000 0.941 517 Q HN 0.198 nan 8.270 nan 0.000 0.464 518 L N 0.772 122.006 121.223 0.019 0.000 2.261 518 L HA -0.195 4.139 4.340 -0.010 0.000 0.216 518 L C 2.070 178.935 176.870 -0.008 0.000 1.114 518 L CA 1.559 56.377 54.840 -0.036 0.000 0.777 518 L CB -0.490 41.560 42.059 -0.016 0.000 0.910 518 L HN 0.142 nan 8.230 nan 0.000 0.440 519 R N -0.543 119.961 120.500 0.008 0.000 2.159 519 R HA -0.182 4.152 4.340 -0.010 0.000 0.237 519 R C 1.995 178.301 176.300 0.009 0.000 1.131 519 R CA 1.006 57.112 56.100 0.009 0.000 0.982 519 R CB -0.249 30.053 30.300 0.003 0.000 0.868 519 R HN 0.417 nan 8.270 nan 0.000 0.453 520 K N 0.606 121.012 120.400 0.010 0.000 2.360 520 K HA -0.100 4.214 4.320 -0.010 0.000 0.201 520 K C 1.829 178.470 176.600 0.068 0.000 1.046 520 K CA 0.828 57.130 56.287 0.025 0.000 0.945 520 K CB -0.068 32.454 32.500 0.036 0.000 0.750 520 K HN 0.229 nan 8.250 nan 0.000 0.464 521 L N 0.534 121.786 121.223 0.047 0.000 2.465 521 L HA -0.129 4.205 4.340 -0.010 0.000 0.224 521 L C 1.836 178.769 176.870 0.105 0.000 1.145 521 L CA 0.017 54.903 54.840 0.077 0.000 0.834 521 L CB -0.247 41.810 42.059 -0.003 0.000 0.944 521 L HN 0.109 nan 8.230 nan 0.000 0.451 522 L N 0.119 121.370 121.223 0.047 0.000 2.127 522 L HA -0.193 4.141 4.340 -0.010 0.000 0.211 522 L C 2.745 179.595 176.870 -0.033 0.000 1.089 522 L CA 1.967 56.820 54.840 0.021 0.000 0.757 522 L CB -0.977 41.083 42.059 0.001 0.000 0.899 522 L HN 0.374 nan 8.230 nan 0.000 0.434 523 S N -2.582 113.045 115.700 -0.122 0.000 2.603 523 S HA -0.111 4.353 4.470 -0.010 0.000 0.229 523 S C 1.278 175.590 174.600 -0.479 0.000 0.972 523 S CA 0.401 58.417 58.200 -0.307 0.000 0.935 523 S CB -0.557 62.394 63.200 -0.414 0.000 0.769 523 S HN 0.479 nan 8.310 nan 0.000 0.536 524 Y N -0.346 119.887 120.300 -0.112 0.000 2.531 524 Y HA 0.449 4.997 4.550 -0.003 0.000 0.249 524 Y C 1.910 177.847 175.900 0.062 0.000 1.168 524 Y CA -0.591 57.440 58.100 -0.114 0.000 1.226 524 Y CB 0.144 38.326 38.460 -0.464 0.000 1.177 524 Y HN 0.236 nan 8.280 nan 0.000 0.527 525 V N 0.400 120.403 119.914 0.149 0.000 2.759 525 V HA -0.197 3.917 4.120 -0.010 0.000 0.256 525 V C 0.941 177.105 176.094 0.117 0.000 1.080 525 V CA 2.160 64.549 62.300 0.149 0.000 1.101 525 V CB -0.001 31.871 31.823 0.083 0.000 0.698 525 V HN 0.352 nan 8.190 nan 0.000 0.477 526 D N -0.682 119.766 120.400 0.081 0.000 2.395 526 D HA 0.112 4.746 4.640 -0.010 0.000 0.213 526 D C 0.327 176.675 176.300 0.081 0.000 1.110 526 D CA -0.021 54.016 54.000 0.062 0.000 0.835 526 D CB 0.145 40.959 40.800 0.023 0.000 0.965 526 D HN 0.434 nan 8.370 nan 0.000 0.505 527 D N 1.511 121.996 120.400 0.141 0.000 2.336 527 D HA -0.021 4.613 4.640 -0.010 0.000 0.249 527 D C 1.114 177.521 176.300 0.178 0.000 1.213 527 D CA -0.003 54.103 54.000 0.176 0.000 0.870 527 D CB 1.649 42.628 40.800 0.297 0.000 1.076 527 D HN -0.178 nan 8.370 nan 0.000 0.483 528 E N 3.221 123.490 120.200 0.116 0.000 2.150 528 E HA -0.121 4.223 4.350 -0.010 0.000 0.193 528 E C 1.727 178.379 176.600 0.088 0.000 0.985 528 E CA 1.282 57.733 56.400 0.085 0.000 0.814 528 E CB 0.019 29.752 29.700 0.055 0.000 0.752 528 E HN 0.585 nan 8.360 nan 0.000 0.466 529 A N -0.275 122.612 122.820 0.112 0.000 1.873 529 A HA -0.129 4.185 4.320 -0.010 0.000 0.215 529 A C 2.207 179.871 177.584 0.133 0.000 1.186 529 A CA 1.275 53.375 52.037 0.104 0.000 0.616 529 A CB -0.944 18.120 19.000 0.106 0.000 0.823 529 A HN 0.441 nan 8.150 nan 0.000 0.442 530 F N 0.442 120.407 119.950 0.025 0.000 2.102 530 F HA -0.153 4.368 4.527 -0.009 0.000 0.298 530 F C 2.044 177.850 175.800 0.011 0.000 1.105 530 F CA 1.655 59.656 58.000 0.001 0.000 1.239 530 F CB -0.132 38.876 39.000 0.014 0.000 0.991 530 F HN 0.166 nan 8.300 nan 0.000 0.474 531 I N 0.273 120.865 120.570 0.037 0.000 2.151 531 I HA -0.385 3.780 4.170 -0.010 0.000 0.243 531 I C 2.610 178.669 176.117 -0.096 0.000 1.080 531 I CA 1.843 63.114 61.300 -0.049 0.000 1.339 531 I CB -0.533 37.489 38.000 0.037 0.000 1.039 531 I HN 0.117 nan 8.210 nan 0.000 0.409 532 R N 0.817 121.287 120.500 -0.050 0.000 2.081 532 R HA -0.195 4.139 4.340 -0.010 0.000 0.235 532 R C 1.883 178.129 176.300 -0.090 0.000 1.131 532 R CA 1.942 58.011 56.100 -0.052 0.000 0.960 532 R CB -0.143 30.147 30.300 -0.017 0.000 0.856 532 R HN 0.296 nan 8.270 nan 0.000 0.436 533 D N -0.274 120.052 120.400 -0.125 0.000 2.117 533 D HA -0.115 4.519 4.640 -0.010 0.000 0.198 533 D C 1.939 178.106 176.300 -0.223 0.000 0.982 533 D CA 1.190 55.102 54.000 -0.148 0.000 0.828 533 D CB -0.136 40.593 40.800 -0.117 0.000 0.967 533 D HN 0.089 nan 8.370 nan 0.000 0.464 534 V N 1.422 121.107 119.914 -0.382 0.000 2.295 534 V HA -0.236 3.878 4.120 -0.010 0.000 0.246 534 V C 2.509 178.508 176.094 -0.159 0.000 1.049 534 V CA 1.871 63.966 62.300 -0.342 0.000 1.024 534 V CB -0.784 30.760 31.823 -0.464 0.000 0.648 534 V HN 0.185 nan 8.190 nan 0.000 0.447 535 A N -0.579 122.168 122.820 -0.122 0.000 1.969 535 A HA -0.225 4.089 4.320 -0.010 0.000 0.218 535 A C 2.351 179.897 177.584 -0.063 0.000 1.169 535 A CA 1.971 53.969 52.037 -0.064 0.000 0.635 535 A CB -0.435 18.531 19.000 -0.055 0.000 0.810 535 A HN 0.516 nan 8.150 nan 0.000 0.445 536 K N -0.190 120.168 120.400 -0.071 0.000 2.025 536 K HA -0.084 4.230 4.320 -0.010 0.000 0.207 536 K C 1.842 178.414 176.600 -0.046 0.000 1.049 536 K CA 1.559 57.814 56.287 -0.054 0.000 0.933 536 K CB -0.259 32.211 32.500 -0.049 0.000 0.714 536 K HN 0.230 nan 8.250 nan 0.000 0.438 537 V N 1.740 121.621 119.914 -0.055 0.000 2.287 537 V HA -0.254 3.860 4.120 -0.010 0.000 0.248 537 V C 2.380 178.457 176.094 -0.027 0.000 1.053 537 V CA 2.014 64.290 62.300 -0.039 0.000 1.027 537 V CB -0.470 31.324 31.823 -0.048 0.000 0.646 537 V HN 0.350 nan 8.190 nan 0.000 0.447 538 K N 0.399 120.781 120.400 -0.030 0.000 2.032 538 K HA -0.237 4.077 4.320 -0.010 0.000 0.209 538 K C 2.174 178.744 176.600 -0.049 0.000 1.048 538 K CA 1.845 58.120 56.287 -0.021 0.000 0.927 538 K CB -0.532 31.971 32.500 0.006 0.000 0.712 538 K HN 0.376 nan 8.250 nan 0.000 0.441 539 Q N 0.991 120.757 119.800 -0.057 0.000 2.084 539 Q HA -0.119 4.215 4.340 -0.010 0.000 0.202 539 Q C 1.696 177.673 176.000 -0.038 0.000 0.978 539 Q CA 1.995 57.756 55.803 -0.070 0.000 0.844 539 Q CB -0.101 28.601 28.738 -0.060 0.000 0.898 539 Q HN 0.516 nan 8.270 nan 0.000 0.426 540 E N -0.526 119.664 120.200 -0.017 0.000 2.077 540 E HA -0.161 4.183 4.350 -0.010 0.000 0.193 540 E C 1.743 178.363 176.600 0.033 0.000 0.989 540 E CA 0.985 57.391 56.400 0.009 0.000 0.800 540 E CB -0.077 29.626 29.700 0.006 0.000 0.746 540 E HN 0.405 nan 8.360 nan 0.000 0.452 541 N N 1.028 119.743 118.700 0.026 0.000 2.120 541 N HA -0.140 4.594 4.740 -0.010 0.000 0.188 541 N C 1.511 177.089 175.510 0.113 0.000 1.024 541 N CA 1.085 54.169 53.050 0.057 0.000 0.852 541 N CB -0.102 38.403 38.487 0.030 0.000 1.003 541 N HN 0.134 nan 8.380 nan 0.000 0.424 542 K N 0.500 120.923 120.400 0.038 0.000 2.097 542 K HA 0.029 4.343 4.320 -0.010 0.000 0.205 542 K C 2.092 178.802 176.600 0.183 0.000 1.050 542 K CA 0.630 56.938 56.287 0.034 0.000 0.938 542 K CB -0.130 32.124 32.500 -0.410 0.000 0.718 542 K HN 0.106 nan 8.250 nan 0.000 0.442 543 L N 1.101 122.385 121.223 0.103 0.000 2.056 543 L HA -0.166 4.168 4.340 -0.010 0.000 0.207 543 L C 2.616 179.582 176.870 0.160 0.000 1.078 543 L CA 1.097 56.010 54.840 0.121 0.000 0.749 543 L CB -0.322 41.778 42.059 0.068 0.000 0.901 543 L HN 0.113 nan 8.230 nan 0.000 0.433 544 K N -0.111 120.387 120.400 0.163 0.000 2.057 544 K HA -0.220 4.094 4.320 -0.010 0.000 0.207 544 K C 2.186 178.944 176.600 0.263 0.000 1.049 544 K CA 1.727 58.121 56.287 0.177 0.000 0.931 544 K CB -0.249 32.339 32.500 0.146 0.000 0.714 544 K HN 0.135 nan 8.250 nan 0.000 0.440 545 F N 1.152 121.205 119.950 0.171 0.000 2.206 545 F HA -0.040 4.481 4.527 -0.010 0.000 0.298 545 F C 2.071 178.033 175.800 0.269 0.000 1.090 545 F CA 1.109 59.244 58.000 0.225 0.000 1.323 545 F CB -0.337 38.800 39.000 0.229 0.000 1.028 545 F HN 0.030 nan 8.300 nan 0.000 0.492 546 A N 0.200 123.183 122.820 0.273 0.000 1.972 546 A HA -0.058 4.256 4.320 -0.010 0.000 0.219 546 A C 2.371 179.992 177.584 0.063 0.000 1.169 546 A CA 1.692 53.821 52.037 0.153 0.000 0.635 546 A CB -1.414 17.739 19.000 0.255 0.000 0.810 546 A HN 0.441 nan 8.150 nan 0.000 0.446 547 A N -1.690 121.189 122.820 0.099 0.000 1.929 547 A HA -0.026 4.288 4.320 -0.010 0.000 0.216 547 A C 2.094 179.710 177.584 0.053 0.000 1.176 547 A CA 1.396 53.479 52.037 0.077 0.000 0.628 547 A CB -0.736 18.322 19.000 0.096 0.000 0.816 547 A HN 0.726 nan 8.150 nan 0.000 0.444 548 Y N 0.506 120.768 120.300 -0.063 0.000 2.181 548 Y HA -0.155 4.389 4.550 -0.010 0.000 0.288 548 Y C 1.899 177.727 175.900 -0.119 0.000 1.146 548 Y CA 1.789 59.837 58.100 -0.087 0.000 1.164 548 Y CB -0.193 38.215 38.460 -0.086 0.000 0.982 548 Y HN 0.209 nan 8.280 nan 0.000 0.515 549 L N 0.056 121.138 121.223 -0.233 0.000 2.083 549 L HA -0.202 4.132 4.340 -0.010 0.000 0.209 549 L C 2.378 179.152 176.870 -0.160 0.000 1.083 549 L CA 1.629 56.327 54.840 -0.236 0.000 0.752 549 L CB -0.472 41.420 42.059 -0.278 0.000 0.899 549 L HN 0.331 nan 8.230 nan 0.000 0.433 550 E N -0.331 119.797 120.200 -0.120 0.000 2.072 550 E HA -0.166 4.178 4.350 -0.010 0.000 0.190 550 E C 2.350 178.887 176.600 -0.104 0.000 0.982 550 E CA 0.772 57.123 56.400 -0.081 0.000 0.803 550 E CB 0.083 29.790 29.700 0.012 0.000 0.755 550 E HN 0.449 nan 8.360 nan 0.000 0.453 551 R N 0.592 121.009 120.500 -0.139 0.000 2.057 551 R HA -0.085 4.249 4.340 -0.010 0.000 0.229 551 R C 1.855 178.005 176.300 -0.250 0.000 1.136 551 R CA 1.057 57.066 56.100 -0.152 0.000 0.952 551 R CB -0.039 30.191 30.300 -0.117 0.000 0.848 551 R HN -0.011 nan 8.270 nan 0.000 0.430 552 E N -1.311 118.625 120.200 -0.440 0.000 2.447 552 E HA 0.004 4.348 4.350 -0.010 0.000 0.195 552 E C 0.109 176.207 176.600 -0.837 0.000 1.028 552 E CA 0.607 56.611 56.400 -0.660 0.000 0.876 552 E CB 0.499 29.633 29.700 -0.945 0.000 0.885 552 E HN 0.328 nan 8.360 nan 0.000 0.500 553 Y N -0.917 119.230 120.300 -0.255 0.000 2.590 553 Y HA 0.232 4.776 4.550 -0.010 0.000 0.263 553 Y C 0.125 175.926 175.900 -0.165 0.000 1.069 553 Y CA -0.521 57.472 58.100 -0.178 0.000 1.242 553 Y CB 0.940 39.294 38.460 -0.178 0.000 1.357 553 Y HN -0.277 nan 8.280 nan 0.000 0.556 554 K N 0.331 120.684 120.400 -0.078 0.000 3.129 554 K HA -0.126 4.188 4.320 -0.010 0.000 0.273 554 K C -0.435 175.968 176.600 -0.328 0.000 1.123 554 K CA 0.871 57.073 56.287 -0.142 0.000 0.800 554 K CB -2.413 30.041 32.500 -0.076 0.000 1.238 554 K HN 0.255 nan 8.250 nan 0.000 0.492 555 V N -1.668 118.066 119.914 -0.299 0.000 2.483 555 V HA 0.544 4.658 4.120 -0.010 0.000 0.295 555 V C 0.288 176.149 176.094 -0.389 0.000 1.035 555 V CA -0.867 61.202 62.300 -0.385 0.000 0.896 555 V CB 1.433 33.144 31.823 -0.186 0.000 0.986 555 V HN 0.273 nan 8.190 nan 0.000 0.447 556 H N 5.169 124.225 119.070 -0.022 0.000 2.476 556 H HA 0.786 5.336 4.556 -0.010 0.000 0.328 556 H C -0.050 175.266 175.328 -0.021 0.000 1.073 556 H CA -0.461 55.578 56.048 -0.015 0.000 1.229 556 H CB 1.500 31.259 29.762 -0.004 0.000 1.432 556 H HN 0.930 nan 8.280 nan 0.000 0.477 557 I N -0.439 120.189 120.570 0.098 0.000 2.689 557 I HA 0.451 4.615 4.170 -0.010 0.000 0.299 557 I C -0.489 175.704 176.117 0.126 0.000 1.059 557 I CA -1.359 59.982 61.300 0.068 0.000 1.055 557 I CB 2.183 40.179 38.000 -0.007 0.000 1.243 557 I HN 0.367 nan 8.210 nan 0.000 0.425 558 N N 5.655 124.430 118.700 0.125 0.000 2.405 558 N HA 0.339 5.073 4.740 -0.010 0.000 0.260 558 N C -1.961 173.696 175.510 0.246 0.000 1.152 558 N CA -2.101 51.035 53.050 0.144 0.000 0.948 558 N CB 0.953 39.499 38.487 0.097 0.000 1.111 558 N HN 0.399 nan 8.380 nan 0.000 0.485 559 P HA 0.044 nan 4.420 nan 0.000 0.233 559 P C -0.127 177.186 177.300 0.022 0.000 1.167 559 P CA 0.957 64.160 63.100 0.172 0.000 0.770 559 P CB 0.228 31.992 31.700 0.107 0.000 0.837 560 N N -1.082 117.655 118.700 0.063 0.000 2.412 560 N HA -0.010 4.724 4.740 -0.010 0.000 0.184 560 N C 0.409 175.963 175.510 0.074 0.000 1.101 560 N CA -0.007 53.066 53.050 0.038 0.000 0.881 560 N CB -0.061 38.453 38.487 0.046 0.000 0.969 560 N HN 0.141 nan 8.380 nan 0.000 0.459 561 S N 0.236 115.999 115.700 0.106 0.000 2.614 561 S HA 0.173 4.637 4.470 -0.010 0.000 0.265 561 S C 0.086 174.686 174.600 -0.001 0.000 1.303 561 S CA -0.922 57.323 58.200 0.074 0.000 1.000 561 S CB 1.013 64.278 63.200 0.107 0.000 0.935 561 S HN 0.197 nan 8.310 nan 0.000 0.551 562 L N 2.092 123.141 121.223 -0.290 0.000 2.418 562 L HA 0.340 4.674 4.340 -0.010 0.000 0.274 562 L C -0.851 176.012 176.870 -0.012 0.000 1.135 562 L CA -0.441 54.047 54.840 -0.587 0.000 0.870 562 L CB -0.237 41.202 42.059 -1.033 0.000 1.154 562 L HN 0.699 nan 8.230 nan 0.000 0.462 563 F N 4.315 124.133 119.950 -0.219 0.000 2.405 563 F HA 0.109 4.631 4.527 -0.009 0.000 0.358 563 F C 0.415 176.152 175.800 -0.105 0.000 1.151 563 F CA -0.786 57.155 58.000 -0.098 0.000 1.161 563 F CB 0.532 39.523 39.000 -0.016 0.000 1.245 563 F HN 0.517 nan 8.300 nan 0.000 0.545 564 D N 4.744 125.141 120.400 -0.006 0.000 2.412 564 D HA 0.321 4.955 4.640 -0.010 0.000 0.224 564 D C -1.028 175.213 176.300 -0.097 0.000 1.093 564 D CA -0.167 53.790 54.000 -0.072 0.000 0.850 564 D CB 1.398 42.140 40.800 -0.097 0.000 1.046 564 D HN 0.110 nan 8.370 nan 0.000 0.507 565 V N 4.581 124.420 119.914 -0.125 0.000 2.487 565 V HA 0.362 4.476 4.120 -0.010 0.000 0.298 565 V C -0.210 175.741 176.094 -0.239 0.000 1.028 565 V CA -0.821 61.393 62.300 -0.143 0.000 0.860 565 V CB 1.718 33.532 31.823 -0.016 0.000 0.991 565 V HN 0.513 nan 8.190 nan 0.000 0.427 566 Q N 3.915 123.594 119.800 -0.201 0.000 2.401 566 Q HA 0.642 4.976 4.340 -0.010 0.000 0.260 566 Q C -1.315 174.535 176.000 -0.251 0.000 1.034 566 Q CA -0.463 55.210 55.803 -0.218 0.000 0.737 566 Q CB 1.894 30.531 28.738 -0.169 0.000 1.227 566 Q HN 0.797 nan 8.270 nan 0.000 0.488 567 V N 2.143 121.899 119.914 -0.263 0.000 2.487 567 V HA 0.860 4.974 4.120 -0.010 0.000 0.298 567 V C -0.894 174.943 176.094 -0.427 0.000 1.028 567 V CA -0.582 61.382 62.300 -0.560 0.000 0.860 567 V CB 1.369 32.618 31.823 -0.956 0.000 0.991 567 V HN 0.783 nan 8.190 nan 0.000 0.427 568 K N 2.594 122.780 120.400 -0.356 0.000 3.040 568 K HA 0.344 4.658 4.320 -0.010 0.000 0.300 568 K C -1.293 175.334 176.600 0.046 0.000 1.092 568 K CA -0.983 55.286 56.287 -0.031 0.000 0.831 568 K CB 0.808 33.286 32.500 -0.037 0.000 1.469 568 K HN 0.537 nan 8.250 nan 0.000 0.365 569 R N 0.797 121.396 120.500 0.165 0.000 2.698 569 R HA 0.166 4.500 4.340 -0.010 0.000 0.266 569 R C 0.418 176.812 176.300 0.157 0.000 1.026 569 R CA -0.290 55.935 56.100 0.208 0.000 1.102 569 R CB -0.124 30.378 30.300 0.337 0.000 0.978 569 R HN 0.464 nan 8.270 nan 0.000 0.436 570 I N 4.788 125.373 120.570 0.024 0.000 2.379 570 I HA 0.136 4.300 4.170 -0.010 0.000 0.290 570 I C 0.736 176.681 176.117 -0.286 0.000 1.063 570 I CA 0.463 61.706 61.300 -0.094 0.000 1.351 570 I CB -0.219 37.718 38.000 -0.104 0.000 1.410 570 I HN 0.286 nan 8.210 nan 0.000 0.505 571 H N 4.419 123.414 119.070 -0.126 0.000 2.930 571 H HA 0.245 4.795 4.556 -0.010 0.000 0.371 571 H C 0.404 175.635 175.328 -0.161 0.000 1.169 571 H CA -0.534 55.489 56.048 -0.041 0.000 1.157 571 H CB 2.196 31.892 29.762 -0.111 0.000 1.789 571 H HN 0.482 nan 8.280 nan 0.000 0.547 572 E N 0.996 121.265 120.200 0.115 0.000 2.085 572 E HA -0.226 4.118 4.350 -0.010 0.000 0.194 572 E C 1.564 177.926 176.600 -0.397 0.000 0.994 572 E CA 1.751 58.145 56.400 -0.009 0.000 0.801 572 E CB -0.050 29.830 29.700 0.301 0.000 0.743 572 E HN 0.581 nan 8.360 nan 0.000 0.453 573 Y N 0.703 120.496 120.300 -0.846 0.000 2.352 573 Y HA -0.043 4.500 4.550 -0.010 0.000 0.292 573 Y C 1.560 177.204 175.900 -0.427 0.000 1.136 573 Y CA 0.866 58.298 58.100 -1.114 0.000 1.227 573 Y CB -0.103 37.753 38.460 -1.007 0.000 0.991 573 Y HN -0.200 nan 8.280 nan 0.000 0.545 574 K N 0.632 120.551 120.400 -0.802 0.000 2.366 574 K HA 0.075 4.389 4.320 -0.010 0.000 0.198 574 K C 0.178 176.603 176.600 -0.291 0.000 1.044 574 K CA 0.517 56.459 56.287 -0.576 0.000 0.973 574 K CB -0.009 32.154 32.500 -0.563 0.000 0.767 574 K HN 0.254 nan 8.250 nan 0.000 0.475 575 R N 0.286 120.646 120.500 -0.234 0.000 3.423 575 R HA -0.227 4.107 4.340 -0.010 0.000 0.271 575 R C 0.328 176.553 176.300 -0.126 0.000 1.093 575 R CA 0.247 56.264 56.100 -0.139 0.000 0.730 575 R CB -1.990 28.244 30.300 -0.110 0.000 1.190 575 R HN 0.293 nan 8.270 nan 0.000 0.437 576 Q N 0.385 120.110 119.800 -0.124 0.000 2.248 576 Q HA -0.104 4.230 4.340 -0.010 0.000 0.208 576 Q C 2.049 178.005 176.000 -0.073 0.000 0.984 576 Q CA 1.650 57.395 55.803 -0.096 0.000 0.875 576 Q CB -0.039 28.646 28.738 -0.088 0.000 0.910 576 Q HN 0.584 nan 8.270 nan 0.000 0.433 577 L N -0.660 120.524 121.223 -0.065 0.000 2.083 577 L HA -0.188 4.146 4.340 -0.010 0.000 0.209 577 L C 2.034 178.908 176.870 0.008 0.000 1.083 577 L CA 0.567 55.385 54.840 -0.037 0.000 0.752 577 L CB -0.330 41.721 42.059 -0.014 0.000 0.899 577 L HN 0.313 nan 8.230 nan 0.000 0.433 578 L N 0.036 121.254 121.223 -0.009 0.000 2.046 578 L HA -0.244 4.090 4.340 -0.010 0.000 0.208 578 L C 2.049 178.965 176.870 0.075 0.000 1.077 578 L CA 1.920 56.761 54.840 0.001 0.000 0.747 578 L CB -0.824 41.128 42.059 -0.178 0.000 0.896 578 L HN 0.280 nan 8.230 nan 0.000 0.432 579 N N -1.537 117.176 118.700 0.022 0.000 2.061 579 N HA -0.267 4.467 4.740 -0.010 0.000 0.193 579 N C 1.965 177.557 175.510 0.137 0.000 1.030 579 N CA 1.870 55.013 53.050 0.154 0.000 0.856 579 N CB -0.178 38.334 38.487 0.043 0.000 1.023 579 N HN 0.506 nan 8.380 nan 0.000 0.424 580 C N 0.572 119.889 119.300 0.028 0.000 2.401 580 C HA -0.114 4.340 4.460 -0.010 0.000 0.276 580 C C 2.601 177.585 174.990 -0.011 0.000 1.233 580 C CA 0.481 59.471 59.018 -0.047 0.000 1.753 580 C CB -1.296 26.367 27.740 -0.129 0.000 2.029 580 C HN 0.500 nan 8.230 nan 0.000 0.478 581 L N -0.535 120.742 121.223 0.090 0.000 2.093 581 L HA -0.181 4.153 4.340 -0.010 0.000 0.208 581 L C 2.747 179.771 176.870 0.257 0.000 1.085 581 L CA 1.739 56.677 54.840 0.163 0.000 0.755 581 L CB -1.059 41.153 42.059 0.256 0.000 0.904 581 L HN 0.584 nan 8.230 nan 0.000 0.435 582 H N 0.010 119.191 119.070 0.186 0.000 2.357 582 H HA -0.128 4.422 4.556 -0.010 0.000 0.301 582 H C 2.220 177.544 175.328 -0.007 0.000 1.082 582 H CA 1.794 57.873 56.048 0.050 0.000 1.342 582 H CB 0.371 30.096 29.762 -0.061 0.000 1.389 582 H HN 0.099 nan 8.280 nan 0.000 0.511 583 V N 1.486 121.327 119.914 -0.121 0.000 2.332 583 V HA -0.270 3.844 4.120 -0.010 0.000 0.248 583 V C 2.793 178.825 176.094 -0.103 0.000 1.055 583 V CA 1.873 64.065 62.300 -0.180 0.000 1.038 583 V CB -0.486 31.273 31.823 -0.107 0.000 0.651 583 V HN 0.381 nan 8.190 nan 0.000 0.450 584 I N -0.191 120.353 120.570 -0.043 0.000 2.315 584 I HA -0.205 3.959 4.170 -0.010 0.000 0.248 584 I C 2.506 178.683 176.117 0.101 0.000 1.117 584 I CA 1.635 62.978 61.300 0.072 0.000 1.404 584 I CB -0.706 37.312 38.000 0.029 0.000 1.071 584 I HN 0.309 nan 8.210 nan 0.000 0.419 585 T N 1.271 115.844 114.554 0.031 0.000 2.684 585 T HA -0.161 4.183 4.350 -0.010 0.000 0.267 585 T C 1.872 176.531 174.700 -0.069 0.000 1.036 585 T CA 1.287 63.395 62.100 0.014 0.000 1.148 585 T CB -0.257 68.647 68.868 0.060 0.000 0.863 585 T HN 0.078 nan 8.240 nan 0.000 0.436 586 L N 0.019 121.134 121.223 -0.181 0.000 2.046 586 L HA 0.000 4.334 4.340 -0.010 0.000 0.208 586 L C 2.097 178.929 176.870 -0.062 0.000 1.077 586 L CA 1.530 56.258 54.840 -0.187 0.000 0.747 586 L CB -1.112 40.760 42.059 -0.312 0.000 0.896 586 L HN 0.360 nan 8.230 nan 0.000 0.432 587 Y N 0.349 120.589 120.300 -0.101 0.000 2.145 587 Y HA -0.304 4.240 4.550 -0.010 0.000 0.286 587 Y C 2.458 178.342 175.900 -0.027 0.000 1.145 587 Y CA 1.883 59.963 58.100 -0.034 0.000 1.148 587 Y CB -0.107 38.378 38.460 0.043 0.000 0.981 587 Y HN 0.272 nan 8.280 nan 0.000 0.507 588 N N 0.478 119.138 118.700 -0.067 0.000 2.120 588 N HA -0.157 4.577 4.740 -0.010 0.000 0.188 588 N C 1.840 177.241 175.510 -0.182 0.000 1.024 588 N CA 1.605 54.554 53.050 -0.169 0.000 0.852 588 N CB -0.398 38.057 38.487 -0.054 0.000 1.003 588 N HN 0.432 nan 8.380 nan 0.000 0.424 589 R N 0.343 120.765 120.500 -0.131 0.000 2.096 589 R HA 0.044 4.378 4.340 -0.010 0.000 0.235 589 R C 2.207 178.423 176.300 -0.140 0.000 1.127 589 R CA 0.803 56.832 56.100 -0.118 0.000 0.968 589 R CB -0.267 29.973 30.300 -0.099 0.000 0.861 589 R HN 0.256 nan 8.270 nan 0.000 0.440 590 I N 0.888 121.354 120.570 -0.173 0.000 2.202 590 I HA -0.263 3.901 4.170 -0.010 0.000 0.242 590 I C 2.095 178.094 176.117 -0.197 0.000 1.091 590 I CA 1.183 62.379 61.300 -0.172 0.000 1.368 590 I CB -0.167 37.735 38.000 -0.162 0.000 1.058 590 I HN 0.012 nan 8.210 nan 0.000 0.410 591 K N 0.796 121.013 120.400 -0.305 0.000 2.147 591 K HA -0.201 4.113 4.320 -0.010 0.000 0.205 591 K C 2.029 178.528 176.600 -0.168 0.000 1.049 591 K CA 1.145 57.267 56.287 -0.275 0.000 0.936 591 K CB -0.264 31.991 32.500 -0.408 0.000 0.722 591 K HN 0.154 nan 8.250 nan 0.000 0.446 592 K N 1.539 121.848 120.400 -0.152 0.000 2.031 592 K HA -0.071 4.243 4.320 -0.010 0.000 0.205 592 K C 0.142 176.695 176.600 -0.079 0.000 1.049 592 K CA 1.262 57.486 56.287 -0.104 0.000 0.939 592 K CB 0.325 32.769 32.500 -0.095 0.000 0.717 592 K HN 0.039 nan 8.250 nan 0.000 0.438 593 E N 0.017 120.169 120.200 -0.080 0.000 3.037 593 E HA 0.155 4.500 4.350 -0.010 0.000 0.220 593 E C -2.282 174.284 176.600 -0.057 0.000 1.142 593 E CA -1.618 54.748 56.400 -0.057 0.000 0.888 593 E CB 1.573 31.246 29.700 -0.045 0.000 1.329 593 E HN 0.130 nan 8.360 nan 0.000 0.409 594 P HA -0.107 nan 4.420 nan 0.000 0.220 594 P C 0.237 177.521 177.300 -0.028 0.000 1.148 594 P CA 1.115 64.184 63.100 -0.052 0.000 0.803 594 P CB 0.222 31.895 31.700 -0.044 0.000 0.782 595 N N -1.233 117.459 118.700 -0.014 0.000 2.270 595 N HA 0.014 4.748 4.740 -0.010 0.000 0.198 595 N C 0.569 176.095 175.510 0.027 0.000 1.117 595 N CA -0.124 52.931 53.050 0.008 0.000 0.845 595 N CB 0.127 38.618 38.487 0.007 0.000 0.980 595 N HN -0.015 nan 8.380 nan 0.000 0.486 596 K N 1.320 121.730 120.400 0.016 0.000 2.172 596 K HA 0.124 4.438 4.320 -0.010 0.000 0.276 596 K C -0.919 175.719 176.600 0.064 0.000 1.013 596 K CA -0.521 55.790 56.287 0.041 0.000 0.913 596 K CB 0.597 33.101 32.500 0.007 0.000 1.055 596 K HN -0.051 nan 8.250 nan 0.000 0.461 597 F N 4.901 124.838 119.950 -0.022 0.000 2.495 597 F HA 0.195 4.716 4.527 -0.010 0.000 0.365 597 F C -0.374 175.412 175.800 -0.023 0.000 1.090 597 F CA -0.173 57.815 58.000 -0.019 0.000 1.235 597 F CB 0.594 39.586 39.000 -0.014 0.000 1.119 597 F HN 0.187 nan 8.300 nan 0.000 0.562 598 V N 4.233 123.588 119.914 -0.931 0.000 2.876 598 V HA 0.551 4.665 4.120 -0.010 0.000 0.312 598 V C -0.682 174.750 176.094 -1.104 0.000 1.085 598 V CA -1.237 60.604 62.300 -0.765 0.000 0.945 598 V CB 1.043 32.642 31.823 -0.374 0.000 1.017 598 V HN 0.580 nan 8.190 nan 0.000 0.428 599 V N 4.459 124.005 119.914 -0.613 0.000 2.493 599 V HA 0.184 4.298 4.120 -0.010 0.000 0.292 599 V C -1.859 174.062 176.094 -0.288 0.000 1.016 599 V CA -0.490 61.607 62.300 -0.339 0.000 1.097 599 V CB 0.248 32.008 31.823 -0.106 0.000 0.947 599 V HN 0.889 nan 8.190 nan 0.000 0.479 600 P HA 0.281 nan 4.420 nan 0.000 0.268 600 P C -0.345 176.867 177.300 -0.147 0.000 1.204 600 P CA 0.060 63.072 63.100 -0.146 0.000 0.768 600 P CB 0.489 32.155 31.700 -0.056 0.000 0.842 601 R N 1.266 121.690 120.500 -0.127 0.000 2.686 601 R HA 0.516 4.850 4.340 -0.010 0.000 0.283 601 R C -0.770 175.482 176.300 -0.080 0.000 0.978 601 R CA -0.614 55.411 56.100 -0.125 0.000 0.897 601 R CB 1.970 32.180 30.300 -0.150 0.000 1.192 601 R HN 0.307 nan 8.270 nan 0.000 0.457 602 T N 2.234 116.750 114.554 -0.065 0.000 2.770 602 T HA 0.243 4.587 4.350 -0.010 0.000 0.297 602 T C -0.203 174.397 174.700 -0.167 0.000 0.997 602 T CA -0.482 61.533 62.100 -0.142 0.000 0.949 602 T CB 1.168 69.862 68.868 -0.290 0.000 0.941 602 T HN 0.133 nan 8.240 nan 0.000 0.457 603 V N 5.930 125.760 119.914 -0.139 0.000 2.364 603 V HA 0.415 4.529 4.120 -0.010 0.000 0.272 603 V C 0.056 176.069 176.094 -0.134 0.000 1.036 603 V CA -0.437 61.790 62.300 -0.122 0.000 0.880 603 V CB 0.652 32.420 31.823 -0.092 0.000 0.991 603 V HN 0.861 nan 8.190 nan 0.000 0.460 604 M N 6.759 126.271 119.600 -0.146 0.000 2.181 604 M HA 0.615 5.090 4.480 -0.010 0.000 0.323 604 M C -1.011 175.187 176.300 -0.170 0.000 1.004 604 M CA -0.179 55.027 55.300 -0.155 0.000 0.941 604 M CB 1.994 34.502 32.600 -0.154 0.000 1.579 604 M HN 0.407 nan 8.290 nan 0.000 0.427 605 I N 1.894 122.348 120.570 -0.193 0.000 2.465 605 I HA 0.827 4.991 4.170 -0.010 0.000 0.291 605 I C 0.116 175.924 176.117 -0.515 0.000 1.014 605 I CA -0.629 60.531 61.300 -0.233 0.000 1.093 605 I CB 2.265 40.216 38.000 -0.082 0.000 1.267 605 I HN 0.806 nan 8.210 nan 0.000 0.431 606 G N 2.986 111.448 108.800 -0.563 0.000 2.696 606 G HA2 0.836 4.790 3.960 -0.010 0.000 0.295 606 G HA3 0.836 4.790 3.960 -0.010 0.000 0.295 606 G C -0.994 173.619 174.900 -0.478 0.000 1.398 606 G CA -0.812 43.810 45.100 -0.796 0.000 0.920 606 G HN 0.986 nan 8.290 nan 0.000 0.492 607 G N -0.292 108.370 108.800 -0.231 0.000 2.352 607 G HA2 0.397 4.351 3.960 -0.010 0.000 0.303 607 G HA3 0.397 4.351 3.960 -0.010 0.000 0.303 607 G C -1.229 173.805 174.900 0.223 0.000 1.593 607 G CA -1.051 44.090 45.100 0.069 0.000 0.963 607 G HN 0.612 nan 8.290 nan 0.000 0.685 608 K N -0.091 120.440 120.400 0.218 0.000 2.118 608 K HA 0.732 5.046 4.320 -0.010 0.000 0.267 608 K C 0.284 177.014 176.600 0.216 0.000 0.991 608 K CA -0.136 56.294 56.287 0.238 0.000 0.916 608 K CB 1.947 34.491 32.500 0.074 0.000 1.041 608 K HN 0.856 nan 8.250 nan 0.000 0.455 609 A N 1.438 124.420 122.820 0.269 0.000 2.317 609 A HA 0.617 4.931 4.320 -0.010 0.000 0.327 609 A C -0.431 177.334 177.584 0.302 0.000 1.178 609 A CA -0.751 51.385 52.037 0.165 0.000 0.817 609 A CB 1.016 20.045 19.000 0.048 0.000 1.189 609 A HN 0.778 nan 8.150 nan 0.000 0.489 610 A N 3.732 126.713 122.820 0.268 0.000 2.546 610 A HA 0.437 4.751 4.320 -0.010 0.000 0.243 610 A C -1.368 176.338 177.584 0.203 0.000 1.063 610 A CA -0.662 51.551 52.037 0.294 0.000 0.757 610 A CB -0.386 18.781 19.000 0.278 0.000 0.991 610 A HN 0.602 nan 8.150 nan 0.000 0.503 611 P HA -0.151 nan 4.420 nan 0.000 0.217 611 P C 1.341 178.658 177.300 0.029 0.000 1.148 611 P CA 2.016 65.090 63.100 -0.044 0.000 0.834 611 P CB 0.197 31.816 31.700 -0.136 0.000 0.783 612 G N -3.055 105.792 108.800 0.079 0.000 3.042 612 G HA2 -0.088 3.866 3.960 -0.010 0.000 0.212 612 G HA3 -0.088 3.866 3.960 -0.010 0.000 0.212 612 G C -0.149 174.839 174.900 0.147 0.000 1.166 612 G CA -0.133 45.013 45.100 0.077 0.000 0.767 612 G HN 0.309 nan 8.290 nan 0.000 0.546 613 Y N 1.496 121.818 120.300 0.035 0.000 2.691 613 Y HA 0.217 4.761 4.550 -0.010 0.000 0.338 613 Y C 1.740 177.678 175.900 0.064 0.000 1.148 613 Y CA -1.100 57.025 58.100 0.043 0.000 1.430 613 Y CB 0.228 38.704 38.460 0.027 0.000 1.303 613 Y HN 0.353 nan 8.280 nan 0.000 0.499 614 H N 3.404 122.618 119.070 0.240 0.000 2.289 614 H HA -0.282 4.268 4.556 -0.010 0.000 0.296 614 H C 1.981 177.357 175.328 0.080 0.000 1.091 614 H CA 2.849 58.972 56.048 0.125 0.000 1.274 614 H CB 0.207 30.024 29.762 0.092 0.000 1.364 614 H HN 0.700 nan 8.280 nan 0.000 0.490 615 M N 0.405 120.019 119.600 0.024 0.000 2.108 615 M HA -0.051 4.423 4.480 -0.010 0.000 0.261 615 M C 2.404 178.501 176.300 -0.339 0.000 1.066 615 M CA 1.909 57.135 55.300 -0.124 0.000 1.107 615 M CB -0.846 31.812 32.600 0.097 0.000 1.356 615 M HN 0.415 nan 8.290 nan 0.000 0.406 616 A N -0.430 121.975 122.820 -0.693 0.000 1.933 616 A HA -0.195 4.119 4.320 -0.010 0.000 0.218 616 A C 2.199 179.597 177.584 -0.309 0.000 1.175 616 A CA 1.863 53.503 52.037 -0.661 0.000 0.628 616 A CB -0.657 17.724 19.000 -1.031 0.000 0.814 616 A HN 0.588 nan 8.150 nan 0.000 0.444 617 K N -1.146 119.129 120.400 -0.209 0.000 2.097 617 K HA -0.056 4.259 4.320 -0.010 0.000 0.205 617 K C 1.932 178.489 176.600 -0.071 0.000 1.050 617 K CA 1.260 57.505 56.287 -0.070 0.000 0.938 617 K CB -0.221 32.301 32.500 0.036 0.000 0.718 617 K HN 0.346 nan 8.250 nan 0.000 0.442 618 M N 0.524 120.035 119.600 -0.149 0.000 2.229 618 M HA -0.085 4.389 4.480 -0.010 0.000 0.264 618 M C 2.105 178.339 176.300 -0.111 0.000 1.063 618 M CA 1.403 56.646 55.300 -0.096 0.000 1.114 618 M CB -0.623 31.908 32.600 -0.114 0.000 1.387 618 M HN 0.124 nan 8.290 nan 0.000 0.420 619 I N -0.262 120.211 120.570 -0.162 0.000 2.252 619 I HA -0.288 3.876 4.170 -0.010 0.000 0.245 619 I C 2.275 178.265 176.117 -0.211 0.000 1.102 619 I CA 0.985 62.180 61.300 -0.175 0.000 1.385 619 I CB -0.303 37.596 38.000 -0.168 0.000 1.064 619 I HN 0.161 nan 8.210 nan 0.000 0.414 620 I N 0.725 121.152 120.570 -0.238 0.000 2.163 620 I HA -0.318 3.846 4.170 -0.010 0.000 0.243 620 I C 2.609 178.441 176.117 -0.475 0.000 1.085 620 I CA 1.312 62.376 61.300 -0.395 0.000 1.347 620 I CB -0.321 37.434 38.000 -0.408 0.000 1.044 620 I HN 0.154 nan 8.210 nan 0.000 0.408 621 K N 1.489 121.621 120.400 -0.447 0.000 2.063 621 K HA -0.163 4.151 4.320 -0.010 0.000 0.208 621 K C 2.035 178.466 176.600 -0.282 0.000 1.048 621 K CA 1.536 57.478 56.287 -0.574 0.000 0.928 621 K CB -0.582 31.294 32.500 -1.040 0.000 0.713 621 K HN 0.241 nan 8.250 nan 0.000 0.442 622 L N 0.317 121.405 121.223 -0.225 0.000 2.012 622 L HA -0.178 4.156 4.340 -0.010 0.000 0.210 622 L C 2.200 178.838 176.870 -0.387 0.000 1.073 622 L CA 1.709 56.266 54.840 -0.471 0.000 0.748 622 L CB -0.280 41.429 42.059 -0.583 0.000 0.891 622 L HN 0.267 nan 8.230 nan 0.000 0.431 623 I N -0.263 120.130 120.570 -0.295 0.000 2.163 623 I HA -0.338 3.826 4.170 -0.010 0.000 0.243 623 I C 2.640 178.650 176.117 -0.179 0.000 1.085 623 I CA 1.948 63.126 61.300 -0.203 0.000 1.347 623 I CB -0.610 37.350 38.000 -0.066 0.000 1.044 623 I HN 0.428 nan 8.210 nan 0.000 0.408 624 T N -0.763 113.655 114.554 -0.228 0.000 2.821 624 T HA -0.090 4.254 4.350 -0.010 0.000 0.267 624 T C 2.007 176.638 174.700 -0.114 0.000 1.046 624 T CA 0.958 62.955 62.100 -0.171 0.000 1.139 624 T CB -0.547 68.174 68.868 -0.244 0.000 0.871 624 T HN 0.340 nan 8.240 nan 0.000 0.454 625 A N 1.533 124.283 122.820 -0.117 0.000 1.933 625 A HA 0.109 4.423 4.320 -0.010 0.000 0.218 625 A C 2.386 179.982 177.584 0.019 0.000 1.175 625 A CA 1.381 53.419 52.037 -0.000 0.000 0.628 625 A CB -0.851 18.242 19.000 0.155 0.000 0.814 625 A HN 0.602 nan 8.150 nan 0.000 0.444 626 I N -0.352 120.126 120.570 -0.152 0.000 2.179 626 I HA -0.192 3.972 4.170 -0.010 0.000 0.242 626 I C 2.726 178.799 176.117 -0.073 0.000 1.088 626 I CA 1.116 62.307 61.300 -0.182 0.000 1.357 626 I CB -0.650 37.121 38.000 -0.382 0.000 1.051 626 I HN 0.388 nan 8.210 nan 0.000 0.409 627 G N 0.489 109.239 108.800 -0.082 0.000 2.440 627 G HA2 -0.270 3.684 3.960 -0.010 0.000 0.218 627 G HA3 -0.270 3.684 3.960 -0.010 0.000 0.218 627 G C 1.264 176.151 174.900 -0.021 0.000 1.154 627 G CA 1.064 46.125 45.100 -0.065 0.000 0.767 627 G HN 0.288 nan 8.290 nan 0.000 0.552 628 D N 0.039 120.465 120.400 0.043 0.000 2.149 628 D HA -0.087 4.547 4.640 -0.010 0.000 0.198 628 D C 2.728 179.129 176.300 0.169 0.000 0.990 628 D CA 0.773 54.863 54.000 0.151 0.000 0.839 628 D CB -0.277 40.570 40.800 0.079 0.000 0.948 628 D HN 0.249 nan 8.370 nan 0.000 0.460 629 V N 0.274 120.218 119.914 0.050 0.000 2.302 629 V HA -0.146 3.968 4.120 -0.010 0.000 0.243 629 V C 2.619 178.658 176.094 -0.091 0.000 1.036 629 V CA 0.838 63.109 62.300 -0.048 0.000 1.020 629 V CB -0.341 31.403 31.823 -0.131 0.000 0.657 629 V HN 0.029 nan 8.190 nan 0.000 0.453 630 V N 0.893 120.701 119.914 -0.177 0.000 2.358 630 V HA -0.195 3.919 4.120 -0.010 0.000 0.246 630 V C 2.138 178.187 176.094 -0.076 0.000 1.047 630 V CA 1.989 64.174 62.300 -0.191 0.000 1.035 630 V CB -0.849 30.856 31.823 -0.196 0.000 0.658 630 V HN 0.565 nan 8.190 nan 0.000 0.452 631 N N -0.363 118.241 118.700 -0.161 0.000 2.512 631 N HA -0.081 4.653 4.740 -0.010 0.000 0.183 631 N C 1.138 176.390 175.510 -0.431 0.000 1.073 631 N CA 0.886 53.753 53.050 -0.304 0.000 0.911 631 N CB -0.248 37.988 38.487 -0.419 0.000 0.964 631 N HN 0.689 nan 8.380 nan 0.000 0.447 632 H N -1.549 117.528 119.070 0.012 0.000 2.674 632 H HA 0.206 4.756 4.556 -0.010 0.000 0.274 632 H C -0.543 174.805 175.328 0.033 0.000 1.121 632 H CA -0.493 55.565 56.048 0.017 0.000 1.132 632 H CB 0.686 30.448 29.762 0.000 0.000 1.606 632 H HN -0.024 nan 8.280 nan 0.000 0.558 633 D N 1.741 122.219 120.400 0.130 0.000 2.316 633 D HA 0.046 4.680 4.640 -0.010 0.000 0.245 633 D C -1.645 174.717 176.300 0.102 0.000 1.171 633 D CA -1.991 52.097 54.000 0.147 0.000 0.856 633 D CB 1.737 42.699 40.800 0.269 0.000 1.090 633 D HN 0.112 nan 8.370 nan 0.000 0.476 634 P HA -0.103 nan 4.420 nan 0.000 0.218 634 P C 1.551 178.875 177.300 0.039 0.000 1.149 634 P CA 0.349 63.480 63.100 0.052 0.000 0.817 634 P CB 0.437 32.163 31.700 0.043 0.000 0.785 635 V N -0.636 119.301 119.914 0.040 0.000 2.515 635 V HA -0.156 3.958 4.120 -0.010 0.000 0.250 635 V C 2.423 178.523 176.094 0.010 0.000 1.058 635 V CA 1.446 63.756 62.300 0.015 0.000 1.064 635 V CB -1.000 30.821 31.823 -0.003 0.000 0.675 635 V HN -0.017 nan 8.190 nan 0.000 0.461 636 V N -0.129 119.808 119.914 0.039 0.000 2.379 636 V HA 0.103 4.217 4.120 -0.010 0.000 0.245 636 V C 1.832 177.936 176.094 0.017 0.000 1.044 636 V CA 1.561 63.883 62.300 0.038 0.000 1.036 636 V CB -1.190 30.701 31.823 0.114 0.000 0.664 636 V HN 0.729 nan 8.190 nan 0.000 0.453 637 G N 1.587 110.401 108.800 0.023 0.000 2.556 637 G HA2 -0.377 3.577 3.960 -0.010 0.000 0.283 637 G HA3 -0.377 3.577 3.960 -0.010 0.000 0.283 637 G C 0.255 175.159 174.900 0.006 0.000 1.177 637 G CA 0.493 45.601 45.100 0.014 0.000 0.978 637 G HN 0.702 nan 8.290 nan 0.000 0.554 638 D N 0.256 120.658 120.400 0.004 0.000 2.427 638 D HA 0.267 4.901 4.640 -0.010 0.000 0.224 638 D C 1.782 178.076 176.300 -0.011 0.000 1.157 638 D CA 0.055 54.057 54.000 0.003 0.000 0.828 638 D CB 0.016 40.825 40.800 0.017 0.000 0.974 638 D HN 0.581 nan 8.370 nan 0.000 0.498 639 R N -0.717 119.767 120.500 -0.027 0.000 2.200 639 R HA 0.271 4.605 4.340 -0.010 0.000 0.208 639 R C -0.063 176.194 176.300 -0.073 0.000 1.033 639 R CA 0.288 56.349 56.100 -0.065 0.000 1.000 639 R CB 0.261 30.506 30.300 -0.091 0.000 0.906 639 R HN 0.119 nan 8.270 nan 0.000 0.462 640 L N 0.530 121.727 121.223 -0.044 0.000 2.562 640 L HA 0.396 4.730 4.340 -0.010 0.000 0.266 640 L C -1.609 175.235 176.870 -0.043 0.000 0.949 640 L CA -0.491 54.321 54.840 -0.048 0.000 0.879 640 L CB 1.716 43.759 42.059 -0.027 0.000 1.278 640 L HN -0.154 nan 8.230 nan 0.000 0.404 641 R N 3.846 124.306 120.500 -0.066 0.000 2.621 641 R HA 0.787 5.121 4.340 -0.010 0.000 0.292 641 R C -1.601 174.641 176.300 -0.096 0.000 0.969 641 R CA -0.811 55.240 56.100 -0.081 0.000 0.887 641 R CB 2.442 32.695 30.300 -0.080 0.000 1.180 641 R HN 0.406 nan 8.270 nan 0.000 0.450 642 V N 4.723 124.578 119.914 -0.098 0.000 2.407 642 V HA 0.468 4.582 4.120 -0.010 0.000 0.291 642 V C -0.317 175.729 176.094 -0.080 0.000 1.018 642 V CA -0.734 61.510 62.300 -0.093 0.000 0.842 642 V CB 1.542 33.308 31.823 -0.095 0.000 0.996 642 V HN 0.536 nan 8.190 nan 0.000 0.426 643 I N 4.862 125.384 120.570 -0.080 0.000 2.465 643 I HA 0.442 4.606 4.170 -0.010 0.000 0.291 643 I C -0.621 175.479 176.117 -0.028 0.000 1.014 643 I CA -0.360 60.901 61.300 -0.064 0.000 1.093 643 I CB 1.853 39.787 38.000 -0.109 0.000 1.267 643 I HN 0.558 nan 8.210 nan 0.000 0.431 644 F N 7.188 127.066 119.950 -0.120 0.000 2.411 644 F HA 0.460 4.981 4.527 -0.009 0.000 0.355 644 F C -0.511 175.217 175.800 -0.120 0.000 1.117 644 F CA -0.613 57.320 58.000 -0.112 0.000 1.139 644 F CB 0.627 39.566 39.000 -0.101 0.000 1.120 644 F HN 0.162 nan 8.300 nan 0.000 0.493 645 L N 6.205 127.023 121.223 -0.675 0.000 2.342 645 L HA 0.171 4.505 4.340 -0.010 0.000 0.285 645 L C 0.239 176.825 176.870 -0.472 0.000 1.095 645 L CA 0.091 54.654 54.840 -0.461 0.000 0.843 645 L CB 0.153 42.032 42.059 -0.300 0.000 1.201 645 L HN 0.607 nan 8.230 nan 0.000 0.445 646 E N 3.235 123.304 120.200 -0.219 0.000 2.360 646 E HA -0.018 4.326 4.350 -0.010 0.000 0.269 646 E C 0.500 177.160 176.600 0.099 0.000 1.022 646 E CA -0.127 56.299 56.400 0.042 0.000 0.887 646 E CB 0.287 30.015 29.700 0.047 0.000 0.990 646 E HN 0.537 nan 8.360 nan 0.000 0.426 647 N N 2.665 121.484 118.700 0.197 0.000 2.738 647 N HA -0.280 4.454 4.740 -0.010 0.000 0.249 647 N C -1.539 174.073 175.510 0.171 0.000 1.047 647 N CA 0.501 53.668 53.050 0.195 0.000 0.707 647 N CB -1.611 37.008 38.487 0.220 0.000 0.937 647 N HN 0.486 nan 8.380 nan 0.000 0.545 648 Y N 1.594 121.909 120.300 0.024 0.000 2.721 648 Y HA 0.162 4.706 4.550 -0.010 0.000 0.329 648 Y C 1.153 177.081 175.900 0.047 0.000 1.211 648 Y CA 0.769 58.873 58.100 0.007 0.000 1.512 648 Y CB 0.305 38.735 38.460 -0.049 0.000 1.249 648 Y HN 0.379 nan 8.280 nan 0.000 0.549 649 R N 2.406 122.570 120.500 -0.561 0.000 2.756 649 R HA 0.412 4.746 4.340 -0.010 0.000 0.273 649 R C -0.599 175.388 176.300 -0.521 0.000 1.030 649 R CA -0.566 55.305 56.100 -0.382 0.000 0.887 649 R CB 0.282 30.550 30.300 -0.053 0.000 1.274 649 R HN 0.358 nan 8.270 nan 0.000 0.461 650 V N 1.128 120.769 119.914 -0.454 0.000 2.287 650 V HA -0.282 3.832 4.120 -0.010 0.000 0.248 650 V C 2.609 178.578 176.094 -0.208 0.000 1.053 650 V CA 2.815 64.891 62.300 -0.372 0.000 1.027 650 V CB -0.795 30.754 31.823 -0.456 0.000 0.646 650 V HN 0.915 nan 8.190 nan 0.000 0.447 651 S N 0.078 115.682 115.700 -0.160 0.000 2.382 651 S HA -0.182 4.282 4.470 -0.010 0.000 0.228 651 S C 1.938 176.491 174.600 -0.079 0.000 1.027 651 S CA 1.670 59.803 58.200 -0.112 0.000 0.991 651 S CB -0.519 62.645 63.200 -0.060 0.000 0.823 651 S HN 0.391 nan 8.310 nan 0.000 0.469 652 L N 2.015 123.205 121.223 -0.055 0.000 2.109 652 L HA 0.328 4.662 4.340 -0.010 0.000 0.207 652 L C 2.703 179.604 176.870 0.053 0.000 1.086 652 L CA 1.410 56.271 54.840 0.035 0.000 0.760 652 L CB -1.350 40.792 42.059 0.138 0.000 0.910 652 L HN 0.354 nan 8.230 nan 0.000 0.437 653 A N -0.639 122.180 122.820 -0.002 0.000 1.940 653 A HA -0.251 4.063 4.320 -0.010 0.000 0.219 653 A C 2.131 179.779 177.584 0.107 0.000 1.176 653 A CA 1.931 54.040 52.037 0.119 0.000 0.631 653 A CB -0.629 18.423 19.000 0.086 0.000 0.814 653 A HN 0.611 nan 8.150 nan 0.000 0.446 654 E N -0.452 119.784 120.200 0.060 0.000 2.268 654 E HA -0.153 4.191 4.350 -0.010 0.000 0.195 654 E C 1.895 178.462 176.600 -0.055 0.000 0.995 654 E CA 1.150 57.541 56.400 -0.016 0.000 0.836 654 E CB -0.052 29.546 29.700 -0.169 0.000 0.763 654 E HN 0.635 nan 8.360 nan 0.000 0.491 655 K N 0.113 120.471 120.400 -0.070 0.000 2.099 655 K HA 0.017 4.331 4.320 -0.010 0.000 0.203 655 K C 2.171 178.619 176.600 -0.253 0.000 1.047 655 K CA 0.492 56.732 56.287 -0.079 0.000 0.963 655 K CB 0.023 32.488 32.500 -0.058 0.000 0.759 655 K HN -0.041 nan 8.250 nan 0.000 0.451 656 V N 1.803 121.493 119.914 -0.374 0.000 2.488 656 V HA -0.112 4.002 4.120 -0.010 0.000 0.246 656 V C 1.895 177.755 176.094 -0.390 0.000 1.046 656 V CA 1.130 62.980 62.300 -0.749 0.000 1.053 656 V CB -0.138 31.373 31.823 -0.520 0.000 0.679 656 V HN 0.230 nan 8.190 nan 0.000 0.458 657 I N 0.803 121.200 120.570 -0.288 0.000 2.179 657 I HA -0.131 4.033 4.170 -0.010 0.000 0.242 657 I C -0.237 175.770 176.117 -0.184 0.000 1.088 657 I CA 1.671 62.733 61.300 -0.397 0.000 1.357 657 I CB -1.533 36.105 38.000 -0.603 0.000 1.051 657 I HN 0.367 nan 8.210 nan 0.000 0.409 658 P HA -0.123 nan 4.420 nan 0.000 0.222 658 P C 1.006 178.299 177.300 -0.012 0.000 1.147 658 P CA 1.270 64.347 63.100 -0.040 0.000 0.790 658 P CB 0.008 31.693 31.700 -0.026 0.000 0.780 659 A N -1.063 121.731 122.820 -0.043 0.000 2.218 659 A HA 0.436 4.750 4.320 -0.010 0.000 0.209 659 A C 1.224 178.897 177.584 0.149 0.000 1.168 659 A CA 0.188 52.248 52.037 0.038 0.000 0.804 659 A CB -0.728 18.292 19.000 0.033 0.000 0.834 659 A HN 0.208 nan 8.150 nan 0.000 0.482 660 A N -0.024 122.891 122.820 0.158 0.000 2.388 660 A HA 0.455 4.769 4.320 -0.010 0.000 0.257 660 A C 0.379 178.110 177.584 0.245 0.000 1.095 660 A CA -0.128 52.070 52.037 0.268 0.000 0.791 660 A CB 0.322 19.578 19.000 0.427 0.000 1.029 660 A HN 0.281 nan 8.150 nan 0.000 0.489 661 D N 0.481 121.028 120.400 0.246 0.000 2.338 661 D HA 0.117 4.751 4.640 -0.010 0.000 0.224 661 D C 0.062 176.573 176.300 0.352 0.000 0.967 661 D CA 0.764 54.958 54.000 0.323 0.000 0.896 661 D CB 0.276 41.188 40.800 0.187 0.000 1.028 661 D HN 0.367 nan 8.370 nan 0.000 0.493 662 L N 1.094 122.410 121.223 0.155 0.000 2.381 662 L HA 0.294 4.628 4.340 -0.010 0.000 0.274 662 L C -0.853 175.904 176.870 -0.188 0.000 0.988 662 L CA -0.293 54.563 54.840 0.026 0.000 0.824 662 L CB 2.077 44.125 42.059 -0.018 0.000 1.263 662 L HN -0.182 nan 8.230 nan 0.000 0.410 663 S N 4.334 119.835 115.700 -0.332 0.000 2.429 663 S HA 0.333 4.797 4.470 -0.010 0.000 0.302 663 S C -0.401 173.931 174.600 -0.448 0.000 1.115 663 S CA -0.665 57.094 58.200 -0.735 0.000 1.095 663 S CB 0.655 63.359 63.200 -0.826 0.000 0.987 663 S HN 0.560 nan 8.310 nan 0.000 0.474 664 E N 4.153 124.101 120.200 -0.420 0.000 2.089 664 E HA 0.210 4.554 4.350 -0.010 0.000 0.284 664 E C -0.540 175.952 176.600 -0.180 0.000 1.023 664 E CA -0.401 55.878 56.400 -0.202 0.000 0.819 664 E CB 0.990 30.603 29.700 -0.145 0.000 1.076 664 E HN 0.608 nan 8.360 nan 0.000 0.396 665 Q N 2.831 122.579 119.800 -0.088 0.000 3.064 665 Q HA 0.270 4.604 4.340 -0.010 0.000 0.258 665 Q C 0.583 176.564 176.000 -0.033 0.000 0.972 665 Q CA -0.127 55.634 55.803 -0.071 0.000 0.761 665 Q CB 0.240 28.946 28.738 -0.053 0.000 1.281 665 Q HN 0.614 nan 8.270 nan 0.000 0.455 666 I N -1.803 118.734 120.570 -0.055 0.000 3.569 666 I HA 0.270 4.434 4.170 -0.010 0.000 0.334 666 I C 0.429 176.488 176.117 -0.096 0.000 1.570 666 I CA -0.688 60.590 61.300 -0.038 0.000 1.082 666 I CB 0.526 38.518 38.000 -0.013 0.000 1.323 666 I HN 0.001 nan 8.210 nan 0.000 0.489 667 S N 0.379 116.020 115.700 -0.099 0.000 2.573 667 S HA 0.175 4.639 4.470 -0.010 0.000 0.277 667 S C 0.577 175.153 174.600 -0.040 0.000 1.346 667 S CA -0.247 57.912 58.200 -0.069 0.000 1.034 667 S CB 0.264 63.466 63.200 0.003 0.000 0.879 667 S HN 0.382 nan 8.310 nan 0.000 0.528 668 T N 2.714 117.280 114.554 0.020 0.000 2.902 668 T HA 0.380 4.724 4.350 -0.010 0.000 0.301 668 T C 0.746 175.462 174.700 0.027 0.000 1.012 668 T CA 0.258 62.384 62.100 0.043 0.000 1.151 668 T CB 0.010 68.978 68.868 0.166 0.000 0.946 668 T HN 1.011 nan 8.240 nan 0.000 0.542 669 A N 2.744 125.549 122.820 -0.024 0.000 2.566 669 A HA 0.451 4.765 4.320 -0.010 0.000 0.245 669 A C 1.621 179.205 177.584 0.000 0.000 1.056 669 A CA 0.282 52.300 52.037 -0.031 0.000 0.757 669 A CB -0.916 18.052 19.000 -0.053 0.000 0.979 669 A HN 1.726 nan 8.150 nan 0.000 0.508 670 G N 1.484 110.284 108.800 -0.000 0.000 2.157 670 G HA2 -0.222 3.732 3.960 -0.010 0.000 0.239 670 G HA3 -0.222 3.732 3.960 -0.010 0.000 0.239 670 G C 0.780 175.683 174.900 0.004 0.000 0.982 670 G CA 1.136 46.239 45.100 0.005 0.000 0.650 670 G HN 2.014 nan 8.290 nan 0.000 0.527 671 T N -2.774 111.785 114.554 0.008 0.000 3.026 671 T HA 0.410 4.754 4.350 -0.010 0.000 0.245 671 T C 0.713 175.310 174.700 -0.173 0.000 1.004 671 T CA 1.001 63.060 62.100 -0.068 0.000 1.069 671 T CB 0.560 69.449 68.868 0.034 0.000 1.005 671 T HN 0.280 nan 8.240 nan 0.000 0.472 672 E N 1.586 121.805 120.200 0.032 0.000 2.052 672 E HA 0.658 5.002 4.350 -0.010 0.000 0.283 672 E C 1.167 177.728 176.600 -0.065 0.000 1.071 672 E CA 0.130 56.580 56.400 0.083 0.000 0.851 672 E CB 0.871 30.658 29.700 0.144 0.000 1.066 672 E HN 0.365 nan 8.360 nan 0.000 0.396 673 A N 3.464 126.165 122.820 -0.199 0.000 1.892 673 A HA -0.208 4.106 4.320 -0.010 0.000 0.218 673 A C 1.994 179.451 177.584 -0.212 0.000 1.188 673 A CA 2.239 54.014 52.037 -0.438 0.000 0.631 673 A CB -0.291 18.208 19.000 -0.835 0.000 0.822 673 A HN 0.608 nan 8.150 nan 0.000 0.447 674 S N -3.786 111.849 115.700 -0.108 0.000 3.624 674 S HA 0.452 4.916 4.470 -0.010 0.000 0.244 674 S C 0.719 175.304 174.600 -0.025 0.000 1.115 674 S CA 1.455 59.635 58.200 -0.032 0.000 0.820 674 S CB -0.114 63.090 63.200 0.007 0.000 0.964 674 S HN 2.257 nan 8.310 nan 0.000 0.508 675 G N 0.421 109.210 108.800 -0.018 0.000 2.722 675 G HA2 -0.074 3.880 3.960 -0.010 0.000 0.686 675 G HA3 -0.074 3.880 3.960 -0.010 0.000 0.686 675 G C 0.257 175.131 174.900 -0.042 0.000 1.282 675 G CA 0.454 45.539 45.100 -0.025 0.000 0.817 675 G HN 1.289 nan 8.290 nan 0.000 0.605 676 T N -1.634 112.881 114.554 -0.064 0.000 3.010 676 T HA 0.380 4.724 4.350 -0.010 0.000 0.253 676 T C 2.433 177.027 174.700 -0.177 0.000 0.939 676 T CA 1.277 63.310 62.100 -0.112 0.000 0.910 676 T CB 0.199 68.992 68.868 -0.125 0.000 1.226 676 T HN 1.910 nan 8.240 nan 0.000 0.508 677 G N 3.296 112.019 108.800 -0.129 0.000 2.469 677 G HA2 -0.328 3.626 3.960 -0.010 0.000 0.219 677 G HA3 -0.328 3.626 3.960 -0.010 0.000 0.219 677 G C 1.477 176.429 174.900 0.087 0.000 1.150 677 G CA 1.334 46.386 45.100 -0.080 0.000 0.763 677 G HN 0.841 nan 8.290 nan 0.000 0.561 678 N N -0.027 118.709 118.700 0.061 0.000 2.091 678 N HA -0.133 4.601 4.740 -0.010 0.000 0.193 678 N C 1.461 176.978 175.510 0.012 0.000 1.021 678 N CA 0.779 53.864 53.050 0.057 0.000 0.862 678 N CB -0.370 38.102 38.487 -0.026 0.000 1.018 678 N HN 0.354 nan 8.380 nan 0.000 0.429 682 M N 0.301 119.985 119.600 0.141 0.000 2.117 682 M HA -0.155 4.319 4.480 -0.010 0.000 0.262 682 M C 1.990 178.344 176.300 0.090 0.000 1.065 682 M CA 1.821 57.176 55.300 0.092 0.000 1.114 682 M CB -0.075 32.574 32.600 0.082 0.000 1.361 682 M HN 0.317 nan 8.290 nan 0.000 0.408 683 L N 0.726 121.998 121.223 0.082 0.000 2.275 683 L HA -0.092 4.242 4.340 -0.010 0.000 0.215 683 L C 1.310 178.224 176.870 0.073 0.000 1.119 683 L CA 1.622 56.516 54.840 0.090 0.000 0.790 683 L CB -0.571 41.549 42.059 0.103 0.000 0.919 683 L HN 0.354 nan 8.230 nan 0.000 0.443 684 N N -0.435 118.301 118.700 0.059 0.000 2.214 684 N HA 0.179 4.913 4.740 -0.010 0.000 0.214 684 N C 0.817 176.364 175.510 0.061 0.000 1.132 684 N CA 0.775 53.854 53.050 0.048 0.000 0.856 684 N CB 0.650 39.145 38.487 0.013 0.000 1.020 684 N HN 0.388 nan 8.380 nan 0.000 0.509 685 G N 0.619 109.460 108.800 0.069 0.000 2.142 685 G HA2 -0.197 3.757 3.960 -0.010 0.000 0.225 685 G HA3 -0.197 3.757 3.960 -0.010 0.000 0.225 685 G C -0.010 174.958 174.900 0.114 0.000 1.015 685 G CA 0.108 45.249 45.100 0.069 0.000 0.716 685 G HN 0.503 nan 8.290 nan 0.000 0.508 686 A N -0.223 122.674 122.820 0.129 0.000 2.312 686 A HA 0.873 5.187 4.320 -0.010 0.000 0.328 686 A C 0.461 178.048 177.584 0.005 0.000 1.158 686 A CA -0.592 51.536 52.037 0.151 0.000 0.821 686 A CB 0.940 20.087 19.000 0.244 0.000 1.170 686 A HN 0.717 nan 8.150 nan 0.000 0.490 687 L N 0.846 122.034 121.223 -0.059 0.000 2.421 687 L HA 0.438 4.772 4.340 -0.010 0.000 0.263 687 L C 0.189 176.935 176.870 -0.206 0.000 1.122 687 L CA -0.326 54.383 54.840 -0.218 0.000 0.804 687 L CB 1.437 43.286 42.059 -0.350 0.000 1.150 687 L HN 0.679 nan 8.230 nan 0.000 0.457 688 T N 2.730 117.040 114.554 -0.407 0.000 2.779 688 T HA 0.441 4.785 4.350 -0.010 0.000 0.280 688 T C -0.365 174.211 174.700 -0.205 0.000 0.987 688 T CA -0.254 61.584 62.100 -0.437 0.000 0.966 688 T CB 1.411 69.821 68.868 -0.763 0.000 0.933 688 T HN 0.344 nan 8.240 nan 0.000 0.442 689 I N 3.196 123.738 120.570 -0.047 0.000 2.321 689 I HA 0.695 4.859 4.170 -0.010 0.000 0.291 689 I C 0.168 176.432 176.117 0.245 0.000 0.998 689 I CA 0.133 61.524 61.300 0.151 0.000 1.227 689 I CB 0.262 38.296 38.000 0.057 0.000 1.368 689 I HN 0.769 nan 8.210 nan 0.000 0.466 690 G N 4.031 113.042 108.800 0.352 0.000 2.646 690 G HA2 0.464 4.418 3.960 -0.010 0.000 0.291 690 G HA3 0.464 4.418 3.960 -0.010 0.000 0.291 690 G C -0.869 173.937 174.900 -0.157 0.000 1.445 690 G CA -0.460 44.741 45.100 0.168 0.000 0.814 690 G HN 0.579 nan 8.290 nan 0.000 0.495 691 T N -1.186 113.145 114.554 -0.371 0.000 2.816 691 T HA 0.484 4.828 4.350 -0.010 0.000 0.282 691 T C 0.801 175.382 174.700 -0.199 0.000 0.993 691 T CA -0.681 61.137 62.100 -0.469 0.000 0.994 691 T CB 1.060 69.671 68.868 -0.428 0.000 1.025 691 T HN 0.256 nan 8.240 nan 0.000 0.529 692 M N 2.753 122.250 119.600 -0.172 0.000 3.436 692 M HA 0.306 4.780 4.480 -0.010 0.000 0.240 692 M C -0.443 175.807 176.300 -0.084 0.000 1.469 692 M CA -0.023 55.213 55.300 -0.106 0.000 1.622 692 M CB -1.775 30.772 32.600 -0.089 0.000 1.098 692 M HN 0.713 nan 8.290 nan 0.000 0.568 693 D N -0.107 120.248 120.400 -0.074 0.000 2.671 693 D HA 0.671 5.305 4.640 -0.010 0.000 0.232 693 D C 0.750 177.031 176.300 -0.033 0.000 1.114 693 D CA 0.692 54.664 54.000 -0.047 0.000 0.858 693 D CB 1.762 42.536 40.800 -0.044 0.000 1.544 693 D HN 0.592 nan 8.370 nan 0.000 0.471 694 G N 1.833 110.624 108.800 -0.016 0.000 2.627 694 G HA2 -0.274 3.680 3.960 -0.010 0.000 0.312 694 G HA3 -0.274 3.680 3.960 -0.010 0.000 0.312 694 G C 1.061 175.955 174.900 -0.010 0.000 1.299 694 G CA 1.179 46.274 45.100 -0.009 0.000 0.989 694 G HN 1.036 nan 8.290 nan 0.000 0.547 695 A N -0.386 122.422 122.820 -0.020 0.000 2.168 695 A HA 0.076 4.390 4.320 -0.010 0.000 0.215 695 A C 2.129 179.653 177.584 -0.100 0.000 1.152 695 A CA 1.877 53.896 52.037 -0.030 0.000 0.716 695 A CB -0.474 18.496 19.000 -0.050 0.000 0.794 695 A HN 0.643 nan 8.150 nan 0.000 0.465 696 N N 0.605 119.254 118.700 -0.086 0.000 2.091 696 N HA -0.171 4.563 4.740 -0.010 0.000 0.193 696 N C 1.595 176.986 175.510 -0.197 0.000 1.021 696 N CA 1.667 54.662 53.050 -0.090 0.000 0.862 696 N CB -0.693 37.786 38.487 -0.013 0.000 1.018 696 N HN 0.289 nan 8.380 nan 0.000 0.429 697 V N 1.201 121.039 119.914 -0.127 0.000 2.287 697 V HA -0.228 3.886 4.120 -0.010 0.000 0.248 697 V C 1.987 178.006 176.094 -0.125 0.000 1.053 697 V CA 1.769 63.993 62.300 -0.127 0.000 1.027 697 V CB -0.501 31.282 31.823 -0.067 0.000 0.646 697 V HN 0.371 nan 8.190 nan 0.000 0.447 698 E N -0.683 119.496 120.200 -0.035 0.000 2.152 698 E HA -0.125 4.219 4.350 -0.010 0.000 0.192 698 E C 2.216 178.911 176.600 0.158 0.000 0.983 698 E CA 1.006 57.457 56.400 0.085 0.000 0.818 698 E CB -0.182 29.652 29.700 0.223 0.000 0.758 698 E HN 0.543 nan 8.360 nan 0.000 0.467 699 M N 0.496 120.078 119.600 -0.029 0.000 2.086 699 M HA -0.152 4.322 4.480 -0.010 0.000 0.261 699 M C 2.493 178.515 176.300 -0.462 0.000 1.067 699 M CA 1.570 56.769 55.300 -0.168 0.000 1.116 699 M CB -0.203 32.203 32.600 -0.324 0.000 1.348 699 M HN 0.141 nan 8.290 nan 0.000 0.407 700 A N -0.210 122.056 122.820 -0.923 0.000 1.933 700 A HA -0.209 4.105 4.320 -0.010 0.000 0.218 700 A C 1.981 179.355 177.584 -0.350 0.000 1.175 700 A CA 1.895 53.363 52.037 -0.949 0.000 0.628 700 A CB -0.772 17.730 19.000 -0.831 0.000 0.814 700 A HN 0.581 nan 8.150 nan 0.000 0.444 701 E N -0.376 119.695 120.200 -0.215 0.000 2.077 701 E HA -0.213 4.131 4.350 -0.010 0.000 0.193 701 E C 1.814 178.381 176.600 -0.055 0.000 0.989 701 E CA 1.270 57.609 56.400 -0.101 0.000 0.800 701 E CB -0.062 29.601 29.700 -0.063 0.000 0.746 701 E HN 0.548 nan 8.360 nan 0.000 0.452 702 E N 0.058 120.251 120.200 -0.012 0.000 2.047 702 E HA -0.135 4.209 4.350 -0.010 0.000 0.191 702 E C 1.866 178.484 176.600 0.030 0.000 0.987 702 E CA 1.142 57.558 56.400 0.027 0.000 0.799 702 E CB -0.195 29.572 29.700 0.110 0.000 0.752 702 E HN 0.355 nan 8.360 nan 0.000 0.449 703 A N 0.395 123.237 122.820 0.036 0.000 2.072 703 A HA 0.318 4.632 4.320 -0.010 0.000 0.216 703 A C 1.071 178.670 177.584 0.026 0.000 1.156 703 A CA 1.120 53.198 52.037 0.067 0.000 0.701 703 A CB -0.066 19.039 19.000 0.175 0.000 0.816 703 A HN 0.261 nan 8.150 nan 0.000 0.458 704 G N -0.651 108.137 108.800 -0.020 0.000 3.055 704 G HA2 -0.107 3.847 3.960 -0.010 0.000 0.686 704 G HA3 -0.107 3.847 3.960 -0.010 0.000 0.686 704 G C -0.003 174.879 174.900 -0.031 0.000 1.087 704 G CA 0.016 45.098 45.100 -0.029 0.000 0.779 704 G HN 0.247 nan 8.290 nan 0.000 0.599 705 E N 0.914 121.084 120.200 -0.050 0.000 2.204 705 E HA -0.160 4.184 4.350 -0.010 0.000 0.195 705 E C 2.064 178.649 176.600 -0.025 0.000 0.990 705 E CA 1.724 58.102 56.400 -0.037 0.000 0.821 705 E CB 0.084 29.759 29.700 -0.041 0.000 0.750 705 E HN 0.761 nan 8.360 nan 0.000 0.477 706 E N 0.649 120.823 120.200 -0.045 0.000 2.268 706 E HA -0.099 4.245 4.350 -0.010 0.000 0.195 706 E C 1.003 177.515 176.600 -0.148 0.000 0.995 706 E CA 0.658 57.009 56.400 -0.081 0.000 0.836 706 E CB -0.030 29.634 29.700 -0.059 0.000 0.763 706 E HN 0.139 nan 8.360 nan 0.000 0.491 707 N N -0.431 118.213 118.700 -0.093 0.000 2.235 707 N HA 0.142 4.876 4.740 -0.010 0.000 0.209 707 N C -0.944 174.491 175.510 -0.125 0.000 1.122 707 N CA 0.087 53.057 53.050 -0.133 0.000 0.845 707 N CB 0.382 38.847 38.487 -0.037 0.000 1.004 707 N HN 0.051 nan 8.380 nan 0.000 0.499 708 F N -0.388 119.349 119.950 -0.355 0.000 2.576 708 F HA 0.406 4.926 4.527 -0.011 0.000 0.313 708 F C -0.727 174.845 175.800 -0.380 0.000 1.078 708 F CA -1.117 56.715 58.000 -0.281 0.000 0.921 708 F CB 1.316 40.242 39.000 -0.123 0.000 1.232 708 F HN -0.217 nan 8.300 nan 0.000 0.459 709 F N 5.436 125.391 119.950 0.007 0.000 2.359 709 F HA 0.354 4.875 4.527 -0.010 0.000 0.355 709 F C -0.211 175.716 175.800 0.212 0.000 1.132 709 F CA -0.527 57.517 58.000 0.073 0.000 1.246 709 F CB -0.172 38.822 39.000 -0.010 0.000 1.569 709 F HN -0.002 nan 8.300 nan 0.000 0.561 710 I N 3.847 124.615 120.570 0.330 0.000 2.428 710 I HA 0.308 4.472 4.170 -0.010 0.000 0.289 710 I C -0.059 176.241 176.117 0.305 0.000 1.019 710 I CA -0.646 60.813 61.300 0.265 0.000 1.351 710 I CB 0.490 38.574 38.000 0.140 0.000 1.412 710 I HN 0.329 nan 8.210 nan 0.000 0.513 711 F N 2.760 122.778 119.950 0.113 0.000 2.685 711 F HA 0.885 5.406 4.527 -0.010 0.000 0.315 711 F C 0.042 175.884 175.800 0.069 0.000 1.126 711 F CA -0.527 57.528 58.000 0.093 0.000 0.950 711 F CB 1.324 40.393 39.000 0.114 0.000 1.360 711 F HN 0.800 nan 8.300 nan 0.000 0.469 712 G N 1.057 109.946 108.800 0.148 0.000 2.757 712 G HA2 -0.071 3.883 3.960 -0.010 0.000 0.638 712 G HA3 -0.071 3.883 3.960 -0.010 0.000 0.638 712 G C -0.902 173.984 174.900 -0.023 0.000 1.344 712 G CA -0.645 44.482 45.100 0.046 0.000 0.855 712 G HN 0.958 nan 8.290 nan 0.000 0.537 713 M N 0.919 120.514 119.600 -0.009 0.000 2.249 713 M HA 0.213 4.687 4.480 -0.010 0.000 0.340 713 M C 1.208 177.480 176.300 -0.047 0.000 1.166 713 M CA 0.074 55.371 55.300 -0.005 0.000 1.115 713 M CB 0.264 32.869 32.600 0.008 0.000 1.606 713 M HN 0.520 nan 8.290 nan 0.000 0.448 714 R N 1.815 122.299 120.500 -0.026 0.000 2.546 714 R HA 0.263 4.597 4.340 -0.010 0.000 0.266 714 R C 1.218 177.504 176.300 -0.024 0.000 1.086 714 R CA -0.581 55.498 56.100 -0.035 0.000 1.160 714 R CB -0.067 30.218 30.300 -0.025 0.000 1.138 714 R HN 0.575 nan 8.270 nan 0.000 0.567 715 V N 1.484 121.382 119.914 -0.026 0.000 2.324 715 V HA -0.282 3.832 4.120 -0.010 0.000 0.250 715 V C 1.888 177.975 176.094 -0.012 0.000 1.060 715 V CA 2.091 64.380 62.300 -0.019 0.000 1.042 715 V CB -0.496 31.314 31.823 -0.022 0.000 0.650 715 V HN 0.636 nan 8.190 nan 0.000 0.450 716 E N 0.110 120.304 120.200 -0.009 0.000 2.110 716 E HA -0.186 4.158 4.350 -0.010 0.000 0.193 716 E C 1.957 178.563 176.600 0.010 0.000 0.988 716 E CA 1.395 57.794 56.400 -0.001 0.000 0.804 716 E CB -0.333 29.367 29.700 -0.001 0.000 0.745 716 E HN 0.634 nan 8.360 nan 0.000 0.458 717 D N -0.213 120.195 120.400 0.013 0.000 2.149 717 D HA -0.090 4.544 4.640 -0.010 0.000 0.201 717 D C 1.982 178.301 176.300 0.032 0.000 0.972 717 D CA 0.755 54.773 54.000 0.030 0.000 0.835 717 D CB -0.083 40.739 40.800 0.036 0.000 0.966 717 D HN 0.064 nan 8.370 nan 0.000 0.476 718 V N 1.848 121.769 119.914 0.012 0.000 2.295 718 V HA -0.218 3.896 4.120 -0.010 0.000 0.246 718 V C 1.983 178.081 176.094 0.007 0.000 1.049 718 V CA 1.688 63.988 62.300 0.000 0.000 1.024 718 V CB -0.413 31.401 31.823 -0.015 0.000 0.648 718 V HN 0.023 nan 8.190 nan 0.000 0.447 719 D N -0.055 120.349 120.400 0.006 0.000 2.104 719 D HA -0.163 4.471 4.640 -0.010 0.000 0.194 719 D C 2.425 178.738 176.300 0.022 0.000 0.994 719 D CA 1.346 55.351 54.000 0.008 0.000 0.830 719 D CB -0.278 40.523 40.800 0.002 0.000 0.959 719 D HN 0.344 nan 8.370 nan 0.000 0.452 720 R N 0.041 120.559 120.500 0.030 0.000 2.091 720 R HA -0.037 4.297 4.340 -0.010 0.000 0.238 720 R C 2.498 178.835 176.300 0.062 0.000 1.136 720 R CA 0.524 56.649 56.100 0.042 0.000 0.959 720 R CB -0.358 29.969 30.300 0.044 0.000 0.856 720 R HN 0.209 nan 8.270 nan 0.000 0.437 721 L N 0.601 121.870 121.223 0.077 0.000 2.093 721 L HA -0.198 4.136 4.340 -0.010 0.000 0.208 721 L C 1.431 178.369 176.870 0.113 0.000 1.085 721 L CA 1.310 56.223 54.840 0.121 0.000 0.755 721 L CB -0.247 41.901 42.059 0.149 0.000 0.904 721 L HN 0.227 nan 8.230 nan 0.000 0.435 722 D N -0.698 119.742 120.400 0.068 0.000 2.144 722 D HA -0.181 4.453 4.640 -0.010 0.000 0.199 722 D C 2.271 178.602 176.300 0.052 0.000 0.984 722 D CA 0.882 54.915 54.000 0.054 0.000 0.834 722 D CB 0.021 40.833 40.800 0.019 0.000 0.955 722 D HN 0.324 nan 8.370 nan 0.000 0.465 723 Q N 0.445 120.272 119.800 0.045 0.000 2.050 723 Q HA -0.052 4.282 4.340 -0.010 0.000 0.202 723 Q C 2.268 178.295 176.000 0.045 0.000 0.980 723 Q CA 0.893 56.719 55.803 0.038 0.000 0.840 723 Q CB -0.369 28.388 28.738 0.031 0.000 0.898 723 Q HN 0.361 nan 8.270 nan 0.000 0.424 724 R N -0.153 120.382 120.500 0.058 0.000 2.092 724 R HA 0.041 4.376 4.340 -0.010 0.000 0.231 724 R C 0.418 176.757 176.300 0.065 0.000 1.119 724 R CA 0.926 57.061 56.100 0.059 0.000 0.970 724 R CB -0.104 30.239 30.300 0.072 0.000 0.864 724 R HN 0.359 nan 8.270 nan 0.000 0.440 725 G N 0.360 109.213 108.800 0.089 0.000 3.338 725 G HA2 -0.262 3.692 3.960 -0.010 0.000 0.686 725 G HA3 -0.262 3.692 3.960 -0.010 0.000 0.686 725 G C -1.211 173.782 174.900 0.155 0.000 1.053 725 G CA -0.664 44.498 45.100 0.103 0.000 0.852 725 G HN 0.291 nan 8.290 nan 0.000 0.545 726 Y N 3.580 123.911 120.300 0.052 0.000 2.436 726 Y HA 0.499 5.043 4.550 -0.010 0.000 0.336 726 Y C 0.602 176.552 175.900 0.083 0.000 1.049 726 Y CA -0.474 57.675 58.100 0.082 0.000 1.294 726 Y CB 0.785 39.276 38.460 0.052 0.000 1.179 726 Y HN 0.593 nan 8.280 nan 0.000 0.520 727 N N 5.177 123.663 118.700 -0.357 0.000 2.564 727 N HA 0.347 5.081 4.740 -0.010 0.000 0.248 727 N C 0.157 175.418 175.510 -0.415 0.000 0.986 727 N CA 0.176 53.022 53.050 -0.340 0.000 0.921 727 N CB 1.194 39.603 38.487 -0.129 0.000 1.136 727 N HN 0.866 nan 8.380 nan 0.000 0.509 728 A N 2.900 125.385 122.820 -0.558 0.000 1.972 728 A HA -0.201 4.113 4.320 -0.010 0.000 0.219 728 A C 1.990 179.687 177.584 0.188 0.000 1.169 728 A CA 1.218 53.141 52.037 -0.189 0.000 0.635 728 A CB -0.344 18.442 19.000 -0.356 0.000 0.810 728 A HN 0.760 nan 8.150 nan 0.000 0.446 729 Q N 0.270 120.077 119.800 0.011 0.000 2.135 729 Q HA -0.229 4.105 4.340 -0.010 0.000 0.204 729 Q C 1.875 177.946 176.000 0.118 0.000 0.981 729 Q CA 2.217 58.054 55.803 0.057 0.000 0.856 729 Q CB -0.344 28.378 28.738 -0.026 0.000 0.902 729 Q HN 0.779 nan 8.270 nan 0.000 0.425 730 E N -1.346 118.862 120.200 0.014 0.000 2.058 730 E HA -0.244 4.100 4.350 -0.010 0.000 0.194 730 E C 1.544 178.075 176.600 -0.114 0.000 0.997 730 E CA 1.518 57.854 56.400 -0.107 0.000 0.801 730 E CB -0.221 29.313 29.700 -0.276 0.000 0.746 730 E HN 0.594 nan 8.360 nan 0.000 0.450 731 Y N -1.102 119.267 120.300 0.115 0.000 2.200 731 Y HA -0.204 4.340 4.550 -0.010 0.000 0.290 731 Y C 2.226 178.132 175.900 0.009 0.000 1.137 731 Y CA 1.486 59.644 58.100 0.096 0.000 1.163 731 Y CB -0.661 37.911 38.460 0.188 0.000 0.988 731 Y HN 0.232 nan 8.280 nan 0.000 0.518 732 Y N 1.366 121.712 120.300 0.077 0.000 2.165 732 Y HA -0.282 4.262 4.550 -0.010 0.000 0.286 732 Y C 1.812 177.687 175.900 -0.041 0.000 1.155 732 Y CA 1.910 59.981 58.100 -0.048 0.000 1.164 732 Y CB -0.371 38.113 38.460 0.040 0.000 0.978 732 Y HN 0.079 nan 8.280 nan 0.000 0.513 733 D N -0.487 119.999 120.400 0.144 0.000 2.224 733 D HA -0.091 4.543 4.640 -0.010 0.000 0.205 733 D C 1.908 178.181 176.300 -0.044 0.000 0.965 733 D CA 1.086 55.113 54.000 0.045 0.000 0.852 733 D CB -0.060 40.788 40.800 0.080 0.000 0.947 733 D HN 0.459 nan 8.370 nan 0.000 0.494 734 R N -0.244 120.231 120.500 -0.041 0.000 2.282 734 R HA 0.264 4.598 4.340 -0.010 0.000 0.195 734 R C 0.425 176.704 176.300 -0.034 0.000 0.909 734 R CA 0.103 56.180 56.100 -0.038 0.000 1.039 734 R CB 1.107 31.383 30.300 -0.040 0.000 1.015 734 R HN 0.164 nan 8.270 nan 0.000 0.513 735 I N 2.423 122.957 120.570 -0.060 0.000 2.405 735 I HA 0.222 4.386 4.170 -0.010 0.000 0.280 735 I C -1.919 174.111 176.117 -0.145 0.000 1.027 735 I CA -2.266 59.003 61.300 -0.052 0.000 1.161 735 I CB 2.096 40.105 38.000 0.014 0.000 1.300 735 I HN -0.284 nan 8.210 nan 0.000 0.463 736 P HA -0.151 nan 4.420 nan 0.000 0.216 736 P C 1.182 178.392 177.300 -0.149 0.000 1.150 736 P CA 1.319 64.331 63.100 -0.147 0.000 0.837 736 P CB 0.305 31.950 31.700 -0.092 0.000 0.786 737 E N -1.000 119.149 120.200 -0.084 0.000 2.150 737 E HA -0.155 4.190 4.350 -0.010 0.000 0.193 737 E C 1.836 178.349 176.600 -0.145 0.000 0.985 737 E CA 0.643 57.011 56.400 -0.054 0.000 0.814 737 E CB -0.550 29.187 29.700 0.062 0.000 0.752 737 E HN 0.125 nan 8.360 nan 0.000 0.466 738 L N 1.187 122.237 121.223 -0.287 0.000 2.072 738 L HA -0.117 4.217 4.340 -0.010 0.000 0.205 738 L C 2.360 178.971 176.870 -0.431 0.000 1.079 738 L CA 1.585 56.087 54.840 -0.564 0.000 0.752 738 L CB -0.293 41.286 42.059 -0.800 0.000 0.906 738 L HN -0.094 nan 8.230 nan 0.000 0.436 739 R N -0.817 119.411 120.500 -0.454 0.000 2.083 739 R HA -0.253 4.081 4.340 -0.010 0.000 0.237 739 R C 2.400 178.543 176.300 -0.261 0.000 1.137 739 R CA 2.061 57.818 56.100 -0.571 0.000 0.951 739 R CB -0.368 29.517 30.300 -0.692 0.000 0.851 739 R HN 0.601 nan 8.270 nan 0.000 0.434 740 Q N 0.420 120.101 119.800 -0.199 0.000 2.061 740 Q HA -0.204 4.131 4.340 -0.010 0.000 0.204 740 Q C 2.081 178.035 176.000 -0.076 0.000 0.984 740 Q CA 2.160 57.889 55.803 -0.124 0.000 0.846 740 Q CB -0.142 28.525 28.738 -0.118 0.000 0.902 740 Q HN 0.479 nan 8.270 nan 0.000 0.421 741 I N 0.082 120.607 120.570 -0.075 0.000 2.179 741 I HA -0.293 3.871 4.170 -0.010 0.000 0.242 741 I C 2.102 178.251 176.117 0.054 0.000 1.088 741 I CA 0.830 62.127 61.300 -0.005 0.000 1.357 741 I CB -0.236 37.731 38.000 -0.055 0.000 1.051 741 I HN 0.244 nan 8.210 nan 0.000 0.409 742 I N 0.752 121.351 120.570 0.049 0.000 2.286 742 I HA -0.256 3.908 4.170 -0.010 0.000 0.248 742 I C 2.439 178.661 176.117 0.175 0.000 1.115 742 I CA 1.595 62.990 61.300 0.159 0.000 1.392 742 I CB -0.494 37.682 38.000 0.294 0.000 1.065 742 I HN 0.188 nan 8.210 nan 0.000 0.418 743 E N -0.246 120.038 120.200 0.139 0.000 2.106 743 E HA -0.257 4.087 4.350 -0.010 0.000 0.192 743 E C 2.190 178.855 176.600 0.108 0.000 0.984 743 E CA 0.994 57.465 56.400 0.118 0.000 0.806 743 E CB -0.140 29.599 29.700 0.065 0.000 0.750 743 E HN 0.583 nan 8.360 nan 0.000 0.458 744 Q N 0.407 120.258 119.800 0.085 0.000 2.084 744 Q HA -0.137 4.197 4.340 -0.010 0.000 0.202 744 Q C 2.358 178.546 176.000 0.314 0.000 0.978 744 Q CA 1.008 56.881 55.803 0.116 0.000 0.844 744 Q CB -0.052 28.700 28.738 0.023 0.000 0.898 744 Q HN 0.300 nan 8.270 nan 0.000 0.426 745 L N -0.023 121.391 121.223 0.319 0.000 2.017 745 L HA -0.196 4.138 4.340 -0.010 0.000 0.208 745 L C 2.445 179.502 176.870 0.312 0.000 1.073 745 L CA 1.043 56.085 54.840 0.337 0.000 0.745 745 L CB -0.368 41.806 42.059 0.191 0.000 0.894 745 L HN 0.144 nan 8.230 nan 0.000 0.432 746 S N -0.395 115.443 115.700 0.229 0.000 2.383 746 S HA -0.142 4.322 4.470 -0.010 0.000 0.227 746 S C 2.103 176.806 174.600 0.172 0.000 1.026 746 S CA 1.461 59.774 58.200 0.189 0.000 0.981 746 S CB -0.186 63.105 63.200 0.151 0.000 0.818 746 S HN 0.607 nan 8.310 nan 0.000 0.472 747 S N 0.385 116.188 115.700 0.172 0.000 2.496 747 S HA 0.324 4.789 4.470 -0.010 0.000 0.224 747 S C 1.438 176.129 174.600 0.152 0.000 0.996 747 S CA 0.694 58.980 58.200 0.143 0.000 0.927 747 S CB -0.032 63.244 63.200 0.126 0.000 0.774 747 S HN 0.808 nan 8.310 nan 0.000 0.524 748 G N 0.552 109.476 108.800 0.206 0.000 2.135 748 G HA2 -0.252 3.702 3.960 -0.010 0.000 0.183 748 G HA3 -0.252 3.702 3.960 -0.010 0.000 0.183 748 G C 0.141 175.139 174.900 0.162 0.000 1.004 748 G CA 0.067 45.278 45.100 0.186 0.000 0.677 748 G HN 0.486 nan 8.290 nan 0.000 0.512 749 F N 0.248 120.207 119.950 0.014 0.000 2.171 749 F HA 0.211 4.732 4.527 -0.010 0.000 0.300 749 F C 1.846 177.452 175.800 -0.323 0.000 1.090 749 F CA 1.830 59.712 58.000 -0.198 0.000 1.293 749 F CB -0.006 38.790 39.000 -0.339 0.000 1.013 749 F HN 0.173 nan 8.300 nan 0.000 0.486 750 F N -0.231 119.835 119.950 0.194 0.000 2.693 750 F HA 0.206 4.727 4.527 -0.010 0.000 0.303 750 F C 0.522 176.429 175.800 0.178 0.000 1.097 750 F CA 0.171 58.240 58.000 0.116 0.000 1.330 750 F CB -0.108 38.969 39.000 0.128 0.000 1.067 750 F HN -0.042 nan 8.300 nan 0.000 0.565 751 S N -1.889 113.953 115.700 0.237 0.000 2.680 751 S HA 0.300 4.765 4.470 -0.010 0.000 0.140 751 S C -2.521 172.099 174.600 0.033 0.000 1.357 751 S CA -0.968 57.301 58.200 0.115 0.000 1.201 751 S CB 0.917 64.145 63.200 0.046 0.000 1.547 751 S HN -0.180 nan 8.310 nan 0.000 0.411 752 P HA -0.037 nan 4.420 nan 0.000 0.217 752 P C 1.163 178.454 177.300 -0.014 0.000 1.150 752 P CA 1.108 64.189 63.100 -0.032 0.000 0.832 752 P CB 0.138 31.794 31.700 -0.073 0.000 0.787 753 K N -0.930 119.462 120.400 -0.013 0.000 2.243 753 K HA 0.014 4.328 4.320 -0.010 0.000 0.201 753 K C 0.668 177.266 176.600 -0.004 0.000 1.051 753 K CA 0.814 57.096 56.287 -0.008 0.000 0.970 753 K CB 0.050 32.546 32.500 -0.007 0.000 0.755 753 K HN 0.299 nan 8.250 nan 0.000 0.465 754 Q N 0.211 120.006 119.800 -0.009 0.000 2.700 754 Q HA 0.158 4.492 4.340 -0.010 0.000 0.249 754 Q C -2.340 173.650 176.000 -0.016 0.000 1.033 754 Q CA -1.718 54.075 55.803 -0.017 0.000 0.804 754 Q CB 1.536 30.255 28.738 -0.031 0.000 1.164 754 Q HN -0.069 nan 8.270 nan 0.000 0.500 755 P HA -0.207 nan 4.420 nan 0.000 0.218 755 P C 0.566 177.900 177.300 0.057 0.000 1.148 755 P CA 1.394 64.520 63.100 0.044 0.000 0.822 755 P CB 0.223 31.950 31.700 0.045 0.000 0.784 756 D N -1.301 119.116 120.400 0.030 0.000 2.388 756 D HA 0.003 4.637 4.640 -0.010 0.000 0.221 756 D C 1.539 177.840 176.300 0.001 0.000 1.133 756 D CA -0.297 53.729 54.000 0.043 0.000 0.831 756 D CB -0.672 40.155 40.800 0.045 0.000 0.962 756 D HN 0.006 nan 8.370 nan 0.000 0.502 757 L N -0.086 121.072 121.223 -0.108 0.000 2.043 757 L HA -0.044 4.290 4.340 -0.010 0.000 0.212 757 L C 1.190 177.872 176.870 -0.314 0.000 1.075 757 L CA 1.700 56.362 54.840 -0.296 0.000 0.752 757 L CB -0.616 41.078 42.059 -0.608 0.000 0.891 757 L HN -0.001 nan 8.230 nan 0.000 0.432 758 F N -0.366 119.641 119.950 0.097 0.000 2.660 758 F HA 0.126 4.647 4.527 -0.010 0.000 0.297 758 F C 1.907 177.763 175.800 0.094 0.000 1.132 758 F CA -0.126 57.922 58.000 0.080 0.000 1.372 758 F CB -0.338 38.698 39.000 0.061 0.000 1.003 758 F HN 0.126 nan 8.300 nan 0.000 0.524 759 K N -0.220 120.303 120.400 0.204 0.000 2.147 759 K HA -0.171 4.143 4.320 -0.010 0.000 0.205 759 K C 0.889 177.597 176.600 0.179 0.000 1.049 759 K CA 1.830 58.220 56.287 0.172 0.000 0.936 759 K CB -0.212 32.363 32.500 0.125 0.000 0.722 759 K HN 0.097 nan 8.250 nan 0.000 0.446 760 D N 1.425 121.942 120.400 0.195 0.000 2.117 760 D HA -0.076 4.558 4.640 -0.010 0.000 0.197 760 D C 2.049 178.468 176.300 0.199 0.000 0.987 760 D CA 1.080 55.206 54.000 0.211 0.000 0.829 760 D CB -0.099 40.866 40.800 0.274 0.000 0.961 760 D HN 0.306 nan 8.370 nan 0.000 0.460 761 I N 0.356 121.044 120.570 0.196 0.000 2.202 761 I HA -0.212 3.952 4.170 -0.010 0.000 0.242 761 I C 2.414 178.604 176.117 0.120 0.000 1.091 761 I CA 0.567 61.955 61.300 0.146 0.000 1.368 761 I CB -0.172 37.906 38.000 0.129 0.000 1.058 761 I HN -0.119 nan 8.210 nan 0.000 0.410 762 V N 0.959 120.958 119.914 0.141 0.000 2.287 762 V HA -0.328 3.786 4.120 -0.010 0.000 0.248 762 V C 2.122 178.253 176.094 0.062 0.000 1.053 762 V CA 2.485 64.852 62.300 0.111 0.000 1.027 762 V CB -1.015 30.888 31.823 0.134 0.000 0.646 762 V HN 0.470 nan 8.190 nan 0.000 0.447 763 N N -0.587 118.186 118.700 0.121 0.000 2.104 763 N HA -0.227 4.507 4.740 -0.010 0.000 0.190 763 N C 1.931 177.516 175.510 0.126 0.000 1.024 763 N CA 1.677 54.831 53.050 0.173 0.000 0.853 763 N CB -0.174 38.464 38.487 0.250 0.000 1.008 763 N HN 0.328 nan 8.380 nan 0.000 0.424 764 M N 0.195 119.895 119.600 0.168 0.000 2.086 764 M HA -0.130 4.344 4.480 -0.010 0.000 0.261 764 M C 1.485 177.777 176.300 -0.014 0.000 1.067 764 M CA 1.364 56.768 55.300 0.173 0.000 1.116 764 M CB -0.613 32.098 32.600 0.185 0.000 1.348 764 M HN 0.206 nan 8.290 nan 0.000 0.407 765 L N 0.643 121.812 121.223 -0.091 0.000 2.042 765 L HA -0.227 4.107 4.340 -0.010 0.000 0.210 765 L C 2.462 179.016 176.870 -0.526 0.000 1.076 765 L CA 1.663 56.309 54.840 -0.324 0.000 0.749 765 L CB -1.339 40.563 42.059 -0.262 0.000 0.893 765 L HN 0.368 nan 8.230 nan 0.000 0.432 766 M N -1.911 117.430 119.600 -0.431 0.000 2.288 766 M HA -0.071 4.403 4.480 -0.010 0.000 0.266 766 M C 1.870 177.714 176.300 -0.760 0.000 1.072 766 M CA 1.395 56.320 55.300 -0.624 0.000 1.132 766 M CB -0.749 31.378 32.600 -0.788 0.000 1.386 766 M HN 0.339 nan 8.290 nan 0.000 0.432 767 H N -2.413 116.443 119.070 -0.358 0.000 3.091 767 H HA 0.229 4.779 4.556 -0.010 0.000 0.249 767 H C 0.209 175.182 175.328 -0.592 0.000 0.985 767 H CA 0.559 56.266 56.048 -0.568 0.000 1.177 767 H CB 0.350 29.608 29.762 -0.840 0.000 1.456 767 H HN 0.523 nan 8.280 nan 0.000 0.467 768 H N -0.040 119.089 119.070 0.098 0.000 2.790 768 H HA 0.165 4.715 4.556 -0.010 0.000 0.232 768 H C -0.738 174.617 175.328 0.046 0.000 1.313 768 H CA -0.364 55.730 56.048 0.077 0.000 1.011 768 H CB 0.794 30.605 29.762 0.081 0.000 2.105 768 H HN -0.033 nan 8.280 nan 0.000 0.580 769 D N 1.257 121.715 120.400 0.097 0.000 2.393 769 D HA 0.102 4.736 4.640 -0.010 0.000 0.232 769 D C 1.006 177.265 176.300 -0.069 0.000 1.192 769 D CA -0.263 53.765 54.000 0.047 0.000 0.882 769 D CB 0.580 41.387 40.800 0.011 0.000 1.038 769 D HN 0.304 nan 8.370 nan 0.000 0.499 770 R N 2.223 122.589 120.500 -0.224 0.000 2.241 770 R HA -0.069 4.265 4.340 -0.010 0.000 0.224 770 R C 0.612 176.435 176.300 -0.795 0.000 1.101 770 R CA 0.957 56.704 56.100 -0.590 0.000 0.995 770 R CB 0.089 29.828 30.300 -0.934 0.000 0.870 770 R HN 0.418 nan 8.270 nan 0.000 0.463 771 F N 0.042 119.950 119.950 -0.070 0.000 2.661 771 F HA 0.266 4.787 4.527 -0.010 0.000 0.306 771 F C 0.093 175.777 175.800 -0.193 0.000 1.094 771 F CA -0.601 57.347 58.000 -0.086 0.000 1.254 771 F CB 0.304 39.312 39.000 0.014 0.000 1.040 771 F HN -0.250 nan 8.300 nan 0.000 0.562 772 K N -0.353 119.872 120.400 -0.293 0.000 3.150 772 K HA -0.169 4.145 4.320 -0.010 0.000 0.267 772 K C 0.938 177.434 176.600 -0.174 0.000 1.028 772 K CA 0.211 56.142 56.287 -0.593 0.000 0.753 772 K CB -1.927 30.143 32.500 -0.716 0.000 1.288 772 K HN 0.194 nan 8.250 nan 0.000 0.473 773 V N -0.030 119.866 119.914 -0.029 0.000 2.287 773 V HA -0.293 3.821 4.120 -0.010 0.000 0.248 773 V C 1.953 178.205 176.094 0.263 0.000 1.053 773 V CA 2.365 64.729 62.300 0.106 0.000 1.027 773 V CB -0.509 31.386 31.823 0.120 0.000 0.646 773 V HN 0.487 nan 8.190 nan 0.000 0.447 774 F N 0.233 120.189 119.950 0.010 0.000 2.216 774 F HA -0.191 4.330 4.527 -0.010 0.000 0.300 774 F C 2.518 178.099 175.800 -0.366 0.000 1.085 774 F CA 0.646 58.588 58.000 -0.096 0.000 1.326 774 F CB -0.374 38.583 39.000 -0.073 0.000 1.027 774 F HN 0.198 nan 8.300 nan 0.000 0.497 775 A N -0.507 122.156 122.820 -0.263 0.000 2.019 775 A HA -0.192 4.122 4.320 -0.010 0.000 0.219 775 A C 1.486 179.062 177.584 -0.012 0.000 1.164 775 A CA 1.860 53.663 52.037 -0.388 0.000 0.644 775 A CB -0.442 18.483 19.000 -0.125 0.000 0.805 775 A HN 0.227 nan 8.150 nan 0.000 0.449 776 D N -2.808 117.646 120.400 0.090 0.000 2.369 776 D HA 0.086 4.720 4.640 -0.010 0.000 0.211 776 D C 1.171 177.623 176.300 0.254 0.000 1.077 776 D CA -0.026 54.099 54.000 0.209 0.000 0.842 776 D CB -0.117 40.825 40.800 0.236 0.000 0.947 776 D HN 0.593 nan 8.370 nan 0.000 0.509 777 Y N 2.084 122.453 120.300 0.115 0.000 2.097 777 Y HA -0.223 4.321 4.550 -0.009 0.000 0.282 777 Y C 2.073 178.043 175.900 0.116 0.000 1.152 777 Y CA 1.886 60.060 58.100 0.124 0.000 1.136 777 Y CB 0.202 38.699 38.460 0.061 0.000 0.975 777 Y HN -0.103 nan 8.280 nan 0.000 0.498 778 E N -0.043 120.201 120.200 0.073 0.000 2.051 778 E HA -0.232 4.112 4.350 -0.010 0.000 0.192 778 E C 2.164 178.721 176.600 -0.070 0.000 0.991 778 E CA 1.503 57.878 56.400 -0.041 0.000 0.799 778 E CB -0.175 29.605 29.700 0.133 0.000 0.748 778 E HN 0.632 nan 8.360 nan 0.000 0.449 779 E N -0.116 120.118 120.200 0.056 0.000 2.110 779 E HA -0.205 4.139 4.350 -0.010 0.000 0.193 779 E C 1.922 178.492 176.600 -0.050 0.000 0.988 779 E CA 0.806 57.259 56.400 0.088 0.000 0.804 779 E CB -0.135 29.713 29.700 0.246 0.000 0.745 779 E HN 0.274 nan 8.360 nan 0.000 0.458 780 Y N 1.330 121.408 120.300 -0.369 0.000 2.133 780 Y HA -0.215 4.329 4.550 -0.010 0.000 0.287 780 Y C 2.180 177.670 175.900 -0.683 0.000 1.134 780 Y CA 0.970 58.533 58.100 -0.895 0.000 1.133 780 Y CB -0.506 37.480 38.460 -0.791 0.000 0.987 780 Y HN -0.216 nan 8.280 nan 0.000 0.502 781 V N 0.803 120.344 119.914 -0.622 0.000 2.287 781 V HA -0.338 3.776 4.120 -0.010 0.000 0.248 781 V C 2.343 178.197 176.094 -0.401 0.000 1.053 781 V CA 2.385 64.340 62.300 -0.574 0.000 1.027 781 V CB -0.624 30.890 31.823 -0.515 0.000 0.646 781 V HN 0.326 nan 8.190 nan 0.000 0.447 782 K N -0.945 119.287 120.400 -0.280 0.000 2.057 782 K HA -0.222 4.092 4.320 -0.010 0.000 0.207 782 K C 2.305 178.808 176.600 -0.162 0.000 1.049 782 K CA 1.759 57.949 56.287 -0.161 0.000 0.931 782 K CB -0.606 31.848 32.500 -0.076 0.000 0.714 782 K HN 0.536 nan 8.250 nan 0.000 0.440 783 C N 1.493 120.669 119.300 -0.207 0.000 2.425 783 C HA -0.101 4.353 4.460 -0.010 0.000 0.277 783 C C 2.661 177.473 174.990 -0.296 0.000 1.280 783 C CA 0.844 59.769 59.018 -0.154 0.000 1.744 783 C CB -0.660 27.008 27.740 -0.121 0.000 1.989 783 C HN 0.431 nan 8.230 nan 0.000 0.491 784 Q N 0.389 119.871 119.800 -0.529 0.000 2.170 784 Q HA -0.170 4.164 4.340 -0.010 0.000 0.203 784 Q C 1.989 177.799 176.000 -0.318 0.000 0.976 784 Q CA 1.601 57.056 55.803 -0.578 0.000 0.858 784 Q CB -0.394 27.750 28.738 -0.990 0.000 0.907 784 Q HN 0.759 nan 8.270 nan 0.000 0.433 785 E N 0.203 120.270 120.200 -0.220 0.000 2.110 785 E HA -0.142 4.202 4.350 -0.010 0.000 0.193 785 E C 2.071 178.632 176.600 -0.066 0.000 0.988 785 E CA 0.625 56.958 56.400 -0.113 0.000 0.804 785 E CB -0.005 29.647 29.700 -0.080 0.000 0.745 785 E HN 0.257 nan 8.360 nan 0.000 0.458 786 R N 0.371 120.840 120.500 -0.051 0.000 2.115 786 R HA -0.076 4.258 4.340 -0.010 0.000 0.230 786 R C 2.391 178.715 176.300 0.041 0.000 1.111 786 R CA 0.827 56.966 56.100 0.065 0.000 0.976 786 R CB -0.251 30.157 30.300 0.180 0.000 0.870 786 R HN 0.071 nan 8.270 nan 0.000 0.445 787 V N 0.598 120.342 119.914 -0.283 0.000 2.295 787 V HA -0.235 3.879 4.120 -0.010 0.000 0.246 787 V C 2.183 178.264 176.094 -0.021 0.000 1.049 787 V CA 1.964 63.991 62.300 -0.456 0.000 1.024 787 V CB -0.369 31.054 31.823 -0.667 0.000 0.648 787 V HN 0.277 nan 8.190 nan 0.000 0.447 788 S N 0.191 115.850 115.700 -0.068 0.000 2.382 788 S HA -0.171 4.293 4.470 -0.010 0.000 0.228 788 S C 2.213 176.870 174.600 0.095 0.000 1.027 788 S CA 1.388 59.580 58.200 -0.013 0.000 0.991 788 S CB -0.503 62.659 63.200 -0.062 0.000 0.823 788 S HN 0.651 nan 8.310 nan 0.000 0.469 789 A N 1.368 124.248 122.820 0.100 0.000 1.902 789 A HA -0.006 4.308 4.320 -0.010 0.000 0.217 789 A C 2.096 179.796 177.584 0.192 0.000 1.181 789 A CA 1.087 53.203 52.037 0.133 0.000 0.623 789 A CB -0.687 18.381 19.000 0.113 0.000 0.818 789 A HN 0.461 nan 8.150 nan 0.000 0.443 790 L N -2.099 119.297 121.223 0.289 0.000 2.093 790 L HA -0.142 4.192 4.340 -0.010 0.000 0.208 790 L C 2.457 179.594 176.870 0.446 0.000 1.085 790 L CA 1.719 56.805 54.840 0.409 0.000 0.755 790 L CB -0.408 42.010 42.059 0.599 0.000 0.904 790 L HN 0.593 nan 8.230 nan 0.000 0.435 791 Y N 0.938 121.359 120.300 0.202 0.000 2.333 791 Y HA -0.254 4.291 4.550 -0.008 0.000 0.290 791 Y C 2.379 178.212 175.900 -0.111 0.000 1.144 791 Y CA 1.526 59.494 58.100 -0.221 0.000 1.228 791 Y CB -0.032 38.098 38.460 -0.551 0.000 0.985 791 Y HN 0.067 nan 8.280 nan 0.000 0.542 792 K N -0.122 120.327 120.400 0.082 0.000 2.362 792 K HA -0.123 4.191 4.320 -0.010 0.000 0.200 792 K C 0.356 176.948 176.600 -0.013 0.000 1.046 792 K CA 0.681 56.997 56.287 0.048 0.000 0.952 792 K CB -0.061 32.507 32.500 0.113 0.000 0.753 792 K HN 0.048 nan 8.250 nan 0.000 0.466 793 N N 0.433 119.138 118.700 0.009 0.000 2.898 793 N HA 0.135 4.869 4.740 -0.010 0.000 0.245 793 N C -2.446 173.067 175.510 0.006 0.000 1.185 793 N CA -2.098 50.961 53.050 0.016 0.000 0.879 793 N CB 1.193 39.721 38.487 0.068 0.000 1.157 793 N HN -0.184 nan 8.380 nan 0.000 0.503 794 P HA -0.155 nan 4.420 nan 0.000 0.216 794 P C 1.399 178.708 177.300 0.016 0.000 1.154 794 P CA 1.119 64.147 63.100 -0.120 0.000 0.865 794 P CB 0.441 32.047 31.700 -0.157 0.000 0.789 795 R N -0.236 120.275 120.500 0.019 0.000 2.075 795 R HA -0.130 4.204 4.340 -0.010 0.000 0.232 795 R C 2.000 178.342 176.300 0.070 0.000 1.126 795 R CA 1.273 57.396 56.100 0.037 0.000 0.963 795 R CB -0.270 30.044 30.300 0.022 0.000 0.858 795 R HN 0.105 nan 8.270 nan 0.000 0.435 796 E N -0.206 120.047 120.200 0.087 0.000 2.158 796 E HA -0.208 4.136 4.350 -0.010 0.000 0.191 796 E C 1.562 178.240 176.600 0.131 0.000 0.982 796 E CA 0.501 56.956 56.400 0.093 0.000 0.823 796 E CB -0.370 29.382 29.700 0.087 0.000 0.766 796 E HN 0.492 nan 8.360 nan 0.000 0.468 797 W N 2.237 123.537 121.300 -0.001 0.000 2.333 797 W HA -0.209 4.445 4.660 -0.011 0.000 0.316 797 W C 1.618 178.144 176.519 0.011 0.000 1.215 797 W CA 2.217 59.574 57.345 0.020 0.000 1.278 797 W CB -0.447 28.993 29.460 -0.034 0.000 1.154 797 W HN 0.039 nan 8.180 nan 0.000 0.486 798 T N 1.097 115.784 114.554 0.223 0.000 2.821 798 T HA -0.165 4.179 4.350 -0.010 0.000 0.267 798 T C 1.858 176.568 174.700 0.017 0.000 1.046 798 T CA 1.658 63.821 62.100 0.105 0.000 1.139 798 T CB -0.312 68.604 68.868 0.080 0.000 0.871 798 T HN 0.174 nan 8.240 nan 0.000 0.454 799 R N 0.472 120.989 120.500 0.027 0.000 2.081 799 R HA 0.046 4.380 4.340 -0.010 0.000 0.235 799 R C 2.521 178.811 176.300 -0.016 0.000 1.131 799 R CA 1.332 57.446 56.100 0.024 0.000 0.960 799 R CB -0.359 29.961 30.300 0.033 0.000 0.856 799 R HN 0.365 nan 8.270 nan 0.000 0.436 800 M N 0.468 120.023 119.600 -0.076 0.000 2.175 800 M HA -0.147 4.327 4.480 -0.010 0.000 0.264 800 M C 1.971 178.177 176.300 -0.156 0.000 1.063 800 M CA 1.392 56.608 55.300 -0.140 0.000 1.119 800 M CB 0.151 32.612 32.600 -0.232 0.000 1.377 800 M HN -0.007 nan 8.290 nan 0.000 0.415 801 V N 0.928 120.727 119.914 -0.191 0.000 2.287 801 V HA -0.319 3.795 4.120 -0.010 0.000 0.248 801 V C 2.212 178.288 176.094 -0.030 0.000 1.053 801 V CA 2.059 64.280 62.300 -0.132 0.000 1.027 801 V CB -0.618 31.149 31.823 -0.093 0.000 0.646 801 V HN 0.512 nan 8.190 nan 0.000 0.447 802 I N -0.502 120.072 120.570 0.008 0.000 2.264 802 I HA -0.271 3.893 4.170 -0.010 0.000 0.248 802 I C 2.689 178.855 176.117 0.082 0.000 1.111 802 I CA 1.602 62.956 61.300 0.089 0.000 1.382 802 I CB -0.438 37.666 38.000 0.173 0.000 1.060 802 I HN 0.238 nan 8.210 nan 0.000 0.418 803 R N 0.466 120.991 120.500 0.042 0.000 2.115 803 R HA -0.104 4.230 4.340 -0.010 0.000 0.230 803 R C 2.027 178.358 176.300 0.052 0.000 1.111 803 R CA 1.179 57.303 56.100 0.039 0.000 0.976 803 R CB -0.436 29.871 30.300 0.012 0.000 0.870 803 R HN 0.536 nan 8.270 nan 0.000 0.445 804 N N 0.748 119.473 118.700 0.041 0.000 2.109 804 N HA -0.085 4.649 4.740 -0.010 0.000 0.188 804 N C 1.983 177.551 175.510 0.095 0.000 1.034 804 N CA 1.127 54.224 53.050 0.077 0.000 0.846 804 N CB -0.057 38.448 38.487 0.030 0.000 1.010 804 N HN 0.113 nan 8.380 nan 0.000 0.425 805 I N 1.681 122.295 120.570 0.074 0.000 2.208 805 I HA -0.255 3.910 4.170 -0.010 0.000 0.245 805 I C 2.444 178.609 176.117 0.081 0.000 1.097 805 I CA 0.993 62.341 61.300 0.080 0.000 1.363 805 I CB -0.324 37.718 38.000 0.070 0.000 1.051 805 I HN 0.105 nan 8.210 nan 0.000 0.413 806 A N 0.200 123.067 122.820 0.079 0.000 2.067 806 A HA -0.151 4.163 4.320 -0.010 0.000 0.219 806 A C 2.038 179.657 177.584 0.058 0.000 1.158 806 A CA 1.980 54.054 52.037 0.061 0.000 0.661 806 A CB -0.832 18.207 19.000 0.065 0.000 0.801 806 A HN 0.538 nan 8.150 nan 0.000 0.452 807 T N -2.978 111.626 114.554 0.083 0.000 3.174 807 T HA 0.200 4.544 4.350 -0.010 0.000 0.269 807 T C 1.106 175.895 174.700 0.147 0.000 1.017 807 T CA 0.590 62.742 62.100 0.087 0.000 0.899 807 T CB -0.165 68.754 68.868 0.084 0.000 1.077 807 T HN 0.463 nan 8.240 nan 0.000 0.552 808 S N 0.082 115.885 115.700 0.170 0.000 2.558 808 S HA 0.240 4.704 4.470 -0.010 0.000 0.217 808 S C 2.235 176.959 174.600 0.207 0.000 0.975 808 S CA 0.310 58.683 58.200 0.289 0.000 0.912 808 S CB -0.651 62.690 63.200 0.236 0.000 0.776 808 S HN 0.524 nan 8.310 nan 0.000 0.526 809 G N 2.673 111.517 108.800 0.073 0.000 2.505 809 G HA2 -0.315 3.639 3.960 -0.010 0.000 0.220 809 G HA3 -0.315 3.639 3.960 -0.010 0.000 0.220 809 G C 1.334 176.180 174.900 -0.090 0.000 1.145 809 G CA 1.114 46.222 45.100 0.014 0.000 0.761 809 G HN 0.597 nan 8.290 nan 0.000 0.571 810 K N -0.216 120.006 120.400 -0.297 0.000 2.211 810 K HA -0.049 4.265 4.320 -0.010 0.000 0.204 810 K C 1.282 177.552 176.600 -0.551 0.000 1.047 810 K CA 0.843 56.805 56.287 -0.542 0.000 0.935 810 K CB -0.248 31.718 32.500 -0.890 0.000 0.728 810 K HN 0.438 nan 8.250 nan 0.000 0.452 811 F N 0.621 120.599 119.950 0.046 0.000 2.645 811 F HA 0.144 4.665 4.527 -0.011 0.000 0.300 811 F C 0.764 176.606 175.800 0.070 0.000 1.115 811 F CA -0.621 57.412 58.000 0.055 0.000 1.355 811 F CB 0.464 39.493 39.000 0.049 0.000 1.026 811 F HN -0.139 nan 8.300 nan 0.000 0.536 812 S N 0.464 116.247 115.700 0.139 0.000 2.531 812 S HA 0.043 4.507 4.470 -0.010 0.000 0.279 812 S C 1.497 176.177 174.600 0.133 0.000 1.305 812 S CA -0.106 58.171 58.200 0.128 0.000 1.058 812 S CB 0.742 63.988 63.200 0.076 0.000 0.899 812 S HN 0.383 nan 8.310 nan 0.000 0.493 813 S N 3.421 119.224 115.700 0.172 0.000 2.469 813 S HA -0.102 4.362 4.470 -0.010 0.000 0.238 813 S C 1.011 175.668 174.600 0.095 0.000 0.998 813 S CA 0.901 59.223 58.200 0.204 0.000 0.957 813 S CB -0.384 63.005 63.200 0.316 0.000 0.764 813 S HN 0.794 nan 8.310 nan 0.000 0.514 814 D N 1.878 122.317 120.400 0.066 0.000 2.117 814 D HA -0.092 4.542 4.640 -0.010 0.000 0.197 814 D C 2.111 178.417 176.300 0.010 0.000 0.987 814 D CA 0.862 54.879 54.000 0.028 0.000 0.829 814 D CB -0.350 40.463 40.800 0.022 0.000 0.961 814 D HN 0.293 nan 8.370 nan 0.000 0.460 815 R N 0.760 121.268 120.500 0.013 0.000 2.073 815 R HA -0.094 4.240 4.340 -0.010 0.000 0.234 815 R C 1.933 178.226 176.300 -0.013 0.000 1.134 815 R CA 1.495 57.588 56.100 -0.012 0.000 0.952 815 R CB -0.851 29.429 30.300 -0.034 0.000 0.850 815 R HN 0.134 nan 8.270 nan 0.000 0.433 816 T N 2.332 116.902 114.554 0.026 0.000 2.635 816 T HA -0.150 4.194 4.350 -0.010 0.000 0.267 816 T C 1.947 176.648 174.700 0.002 0.000 1.040 816 T CA 1.548 63.680 62.100 0.054 0.000 1.156 816 T CB -0.166 68.814 68.868 0.186 0.000 0.863 816 T HN 0.116 nan 8.240 nan 0.000 0.430 817 I N 1.676 122.176 120.570 -0.116 0.000 2.226 817 I HA -0.109 4.055 4.170 -0.010 0.000 0.245 817 I C 2.954 179.032 176.117 -0.065 0.000 1.100 817 I CA 1.046 62.244 61.300 -0.171 0.000 1.374 817 I CB -1.666 36.233 38.000 -0.169 0.000 1.057 817 I HN 0.204 nan 8.210 nan 0.000 0.413 818 A N 0.238 123.036 122.820 -0.037 0.000 1.940 818 A HA -0.253 4.061 4.320 -0.010 0.000 0.219 818 A C 2.258 179.802 177.584 -0.067 0.000 1.176 818 A CA 1.602 53.623 52.037 -0.026 0.000 0.631 818 A CB -0.584 18.405 19.000 -0.018 0.000 0.814 818 A HN 0.530 nan 8.150 nan 0.000 0.446 819 Q N -1.938 117.801 119.800 -0.102 0.000 2.083 819 Q HA -0.154 4.180 4.340 -0.010 0.000 0.198 819 Q C 1.956 177.782 176.000 -0.290 0.000 0.969 819 Q CA 1.586 57.287 55.803 -0.170 0.000 0.838 819 Q CB -0.308 28.320 28.738 -0.183 0.000 0.900 819 Q HN 0.817 nan 8.270 nan 0.000 0.436 820 Y N 0.691 120.699 120.300 -0.486 0.000 2.128 820 Y HA -0.310 4.234 4.550 -0.010 0.000 0.284 820 Y C 2.488 177.824 175.900 -0.941 0.000 1.154 820 Y CA 1.334 58.881 58.100 -0.922 0.000 1.149 820 Y CB -0.477 37.104 38.460 -1.466 0.000 0.976 820 Y HN 0.166 nan 8.280 nan 0.000 0.505 821 A N 0.273 122.888 122.820 -0.343 0.000 1.865 821 A HA -0.238 4.077 4.320 -0.010 0.000 0.217 821 A C 2.250 179.855 177.584 0.035 0.000 1.191 821 A CA 2.125 54.205 52.037 0.072 0.000 0.623 821 A CB -0.609 18.494 19.000 0.173 0.000 0.826 821 A HN 0.432 nan 8.150 nan 0.000 0.444 822 R N -0.788 119.690 120.500 -0.036 0.000 2.090 822 R HA -0.035 4.300 4.340 -0.010 0.000 0.228 822 R C 1.813 178.092 176.300 -0.036 0.000 1.110 822 R CA 1.498 57.587 56.100 -0.019 0.000 0.973 822 R CB -0.159 30.124 30.300 -0.029 0.000 0.869 822 R HN 0.666 nan 8.270 nan 0.000 0.440 823 E N -0.659 119.479 120.200 -0.103 0.000 2.431 823 E HA 0.105 4.449 4.350 -0.010 0.000 0.200 823 E C 1.387 177.939 176.600 -0.081 0.000 0.995 823 E CA 0.369 56.711 56.400 -0.096 0.000 0.915 823 E CB 0.597 30.211 29.700 -0.142 0.000 0.930 823 E HN 0.278 nan 8.360 nan 0.000 0.496 824 I N -1.197 119.291 120.570 -0.135 0.000 3.873 824 I HA 0.028 4.193 4.170 -0.010 0.000 0.284 824 I C 1.255 177.513 176.117 0.235 0.000 1.186 824 I CA -0.063 61.217 61.300 -0.033 0.000 1.362 824 I CB 0.313 38.149 38.000 -0.274 0.000 1.432 824 I HN 0.107 nan 8.210 nan 0.000 0.454 825 W N 1.482 122.873 121.300 0.152 0.000 2.737 825 W HA 0.351 5.005 4.660 -0.010 0.000 0.262 825 W C 1.491 178.048 176.519 0.062 0.000 1.282 825 W CA 0.710 58.128 57.345 0.122 0.000 1.386 825 W CB -1.026 28.495 29.460 0.102 0.000 1.099 825 W HN 0.290 nan 8.180 nan 0.000 0.621 826 G N 1.348 110.288 108.800 0.233 0.000 2.272 826 G HA2 -0.114 3.840 3.960 -0.010 0.000 0.280 826 G HA3 -0.114 3.840 3.960 -0.010 0.000 0.280 826 G C -0.296 174.676 174.900 0.120 0.000 1.067 826 G CA 0.298 45.476 45.100 0.130 0.000 0.902 826 G HN 0.375 nan 8.290 nan 0.000 0.500 827 V N -4.240 115.765 119.914 0.152 0.000 2.962 827 V HA 0.905 5.019 4.120 -0.010 0.000 0.313 827 V C -0.333 175.820 176.094 0.097 0.000 1.099 827 V CA -1.723 60.646 62.300 0.115 0.000 0.971 827 V CB 2.345 34.244 31.823 0.126 0.000 1.028 827 V HN 0.131 nan 8.190 nan 0.000 0.430 828 E N 3.757 123.997 120.200 0.067 0.000 2.174 828 E HA 0.505 4.849 4.350 -0.010 0.000 0.282 828 E C -2.478 174.157 176.600 0.058 0.000 0.992 828 E CA -1.755 54.678 56.400 0.055 0.000 0.803 828 E CB 1.790 31.514 29.700 0.040 0.000 1.090 828 E HN 0.740 nan 8.360 nan 0.000 0.396 829 P HA 0.069 nan 4.420 nan 0.000 0.270 829 P C -0.480 176.848 177.300 0.046 0.000 1.223 829 P CA -0.271 62.862 63.100 0.054 0.000 0.785 829 P CB 0.865 32.592 31.700 0.046 0.000 0.923 830 S N 0.747 116.476 115.700 0.048 0.000 2.575 830 S HA 0.320 4.784 4.470 -0.010 0.000 0.278 830 S C 0.415 175.038 174.600 0.039 0.000 1.139 830 S CA -0.743 57.483 58.200 0.044 0.000 0.954 830 S CB 0.939 64.172 63.200 0.055 0.000 1.054 830 S HN 0.274 nan 8.310 nan 0.000 0.483 831 R N 2.382 122.901 120.500 0.031 0.000 2.359 831 R HA 0.186 4.520 4.340 -0.010 0.000 0.231 831 R C -0.060 176.250 176.300 0.017 0.000 0.913 831 R CA 0.050 56.166 56.100 0.027 0.000 1.075 831 R CB 0.142 30.459 30.300 0.027 0.000 1.087 831 R HN 0.688 nan 8.270 nan 0.000 0.515 832 Q N 1.130 120.939 119.800 0.016 0.000 2.313 832 Q HA 0.094 4.428 4.340 -0.010 0.000 0.266 832 Q C -0.242 175.750 176.000 -0.014 0.000 0.989 832 Q CA 0.120 55.925 55.803 0.003 0.000 0.890 832 Q CB 0.880 29.625 28.738 0.010 0.000 1.200 832 Q HN -0.195 nan 8.270 nan 0.000 0.396 833 R N 1.669 122.152 120.500 -0.028 0.000 2.590 833 R HA 0.151 4.485 4.340 -0.010 0.000 0.274 833 R C -0.425 175.831 176.300 -0.074 0.000 1.061 833 R CA 0.131 56.201 56.100 -0.050 0.000 1.081 833 R CB 0.342 30.612 30.300 -0.050 0.000 0.984 833 R HN 0.507 nan 8.270 nan 0.000 0.448 834 L N 5.721 126.883 121.223 -0.101 0.000 2.395 834 L HA 0.354 4.688 4.340 -0.010 0.000 0.269 834 L C -1.676 175.133 176.870 -0.101 0.000 1.133 834 L CA -2.044 52.708 54.840 -0.148 0.000 0.812 834 L CB 1.103 43.044 42.059 -0.197 0.000 1.125 834 L HN 0.490 nan 8.230 nan 0.000 0.452 835 P HA 0.012 nan 4.420 nan 0.000 0.265 835 P C -0.711 176.560 177.300 -0.048 0.000 1.193 835 P CA -0.291 62.775 63.100 -0.058 0.000 0.765 835 P CB 0.608 32.280 31.700 -0.046 0.000 0.823 836 A N 6.076 128.875 122.820 -0.035 0.000 2.511 836 A HA 0.339 4.653 4.320 -0.010 0.000 0.242 836 A C -1.122 176.454 177.584 -0.013 0.000 1.069 836 A CA -0.775 51.248 52.037 -0.024 0.000 0.763 836 A CB -1.331 17.658 19.000 -0.019 0.000 1.001 836 A HN 0.496 nan 8.150 nan 0.000 0.498 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.102 63.100 0.004 0.000 0.800 837 P CB 0.000 31.710 31.700 0.017 0.000 0.726