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 3l7b_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 XXXNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.981 176.000 -0.031 0.000 1.003 12 Q CA 0.000 55.771 55.803 -0.053 0.000 1.022 12 Q CB 0.000 28.701 28.738 -0.062 0.000 1.108 13 I N -0.227 120.330 120.570 -0.022 0.000 2.562 13 I HA 0.541 4.705 4.170 -0.010 0.000 0.301 13 I C 1.051 177.167 176.117 -0.002 0.000 1.003 13 I CA -0.063 61.232 61.300 -0.008 0.000 1.127 13 I CB 1.937 39.937 38.000 0.000 0.000 1.304 13 I HN 0.247 nan 8.210 nan 0.000 0.446 14 S N 4.006 119.710 115.700 0.006 0.000 2.359 14 S HA -0.167 4.298 4.470 -0.010 0.000 0.224 14 S C 1.749 176.358 174.600 0.014 0.000 1.035 14 S CA 1.844 60.049 58.200 0.009 0.000 1.018 14 S CB -0.730 62.480 63.200 0.016 0.000 0.876 14 S HN 0.879 nan 8.310 nan 0.000 0.448 15 V N -0.268 119.662 119.914 0.026 0.000 3.078 15 V HA 0.147 4.261 4.120 -0.010 0.000 0.265 15 V C 2.177 178.285 176.094 0.023 0.000 1.122 15 V CA 1.411 63.730 62.300 0.032 0.000 1.141 15 V CB -1.156 30.695 31.823 0.046 0.000 0.735 15 V HN 0.416 nan 8.190 nan 0.000 0.498 16 R N 1.220 121.725 120.500 0.009 0.000 2.313 16 R HA 0.406 4.740 4.340 -0.010 0.000 0.199 16 R C 1.220 177.511 176.300 -0.016 0.000 0.958 16 R CA 0.563 56.661 56.100 -0.003 0.000 1.047 16 R CB -0.139 30.155 30.300 -0.010 0.000 0.955 16 R HN 0.772 nan 8.270 nan 0.000 0.481 17 G N 0.692 109.483 108.800 -0.015 0.000 2.725 17 G HA2 -0.233 3.721 3.960 -0.010 0.000 0.220 17 G HA3 -0.233 3.721 3.960 -0.010 0.000 0.220 17 G C -0.870 174.014 174.900 -0.027 0.000 1.357 17 G CA -1.026 44.058 45.100 -0.028 0.000 0.866 17 G HN -0.006 nan 8.290 nan 0.000 0.548 18 L N 0.497 121.702 121.223 -0.030 0.000 2.350 18 L HA 0.657 4.991 4.340 -0.010 0.000 0.275 18 L C 1.188 178.043 176.870 -0.026 0.000 1.099 18 L CA 0.364 55.188 54.840 -0.025 0.000 0.808 18 L CB 0.967 43.013 42.059 -0.022 0.000 1.149 18 L HN 1.517 nan 8.230 nan 0.000 0.442 19 A N 2.671 125.478 122.820 -0.022 0.000 3.158 19 A HA 0.581 4.895 4.320 -0.010 0.000 0.319 19 A C 0.699 178.277 177.584 -0.011 0.000 1.204 19 A CA -0.364 51.662 52.037 -0.019 0.000 0.992 19 A CB -0.306 18.681 19.000 -0.022 0.000 1.110 19 A HN 0.787 nan 8.150 nan 0.000 0.519 20 G N -0.345 108.451 108.800 -0.008 0.000 2.442 20 G HA2 0.338 4.292 3.960 -0.010 0.000 0.249 20 G HA3 0.338 4.292 3.960 -0.010 0.000 0.249 20 G C 1.069 175.972 174.900 0.005 0.000 1.263 20 G CA 0.203 45.302 45.100 -0.001 0.000 0.846 20 G HN 0.681 nan 8.290 nan 0.000 0.555 21 V N 1.775 121.693 119.914 0.007 0.000 2.324 21 V HA -0.188 3.927 4.120 -0.010 0.000 0.250 21 V C 2.629 178.733 176.094 0.016 0.000 1.060 21 V CA 2.902 65.209 62.300 0.011 0.000 1.042 21 V CB -0.349 31.480 31.823 0.009 0.000 0.650 21 V HN 0.919 nan 8.190 nan 0.000 0.450 22 E N -0.041 120.168 120.200 0.016 0.000 2.051 22 E HA -0.215 4.129 4.350 -0.010 0.000 0.192 22 E C 2.054 178.674 176.600 0.033 0.000 0.991 22 E CA 1.784 58.198 56.400 0.023 0.000 0.799 22 E CB -0.254 29.458 29.700 0.021 0.000 0.748 22 E HN 0.650 nan 8.360 nan 0.000 0.449 23 N N -0.631 118.088 118.700 0.031 0.000 2.069 23 N HA -0.149 4.585 4.740 -0.010 0.000 0.191 23 N C 1.643 177.178 175.510 0.042 0.000 1.031 23 N CA 1.337 54.411 53.050 0.040 0.000 0.852 23 N CB -0.229 38.270 38.487 0.019 0.000 1.018 23 N HN 0.010 nan 8.380 nan 0.000 0.423 24 V N 0.042 119.972 119.914 0.026 0.000 2.407 24 V HA -0.220 3.895 4.120 -0.010 0.000 0.248 24 V C 2.072 178.186 176.094 0.033 0.000 1.055 24 V CA 1.918 64.232 62.300 0.024 0.000 1.049 24 V CB -0.939 30.893 31.823 0.016 0.000 0.662 24 V HN 0.400 nan 8.190 nan 0.000 0.455 25 T N -0.557 114.017 114.554 0.034 0.000 2.708 25 T HA -0.212 4.132 4.350 -0.010 0.000 0.266 25 T C 1.932 176.665 174.700 0.054 0.000 1.037 25 T CA 1.779 63.901 62.100 0.036 0.000 1.146 25 T CB -0.189 68.696 68.868 0.028 0.000 0.865 25 T HN 0.485 nan 8.240 nan 0.000 0.435 26 E N 1.059 121.298 120.200 0.065 0.000 2.077 26 E HA -0.043 4.301 4.350 -0.010 0.000 0.193 26 E C 2.049 178.725 176.600 0.127 0.000 0.989 26 E CA 0.982 57.435 56.400 0.088 0.000 0.800 26 E CB -0.553 29.205 29.700 0.096 0.000 0.746 26 E HN 0.438 nan 8.360 nan 0.000 0.452 27 L N 0.160 121.463 121.223 0.134 0.000 2.042 27 L HA -0.210 4.124 4.340 -0.010 0.000 0.210 27 L C 2.479 179.453 176.870 0.173 0.000 1.076 27 L CA 1.562 56.502 54.840 0.167 0.000 0.749 27 L CB -0.355 41.770 42.059 0.110 0.000 0.893 27 L HN 0.081 nan 8.230 nan 0.000 0.432 28 K N 0.395 120.858 120.400 0.105 0.000 2.057 28 K HA -0.202 4.112 4.320 -0.010 0.000 0.207 28 K C 2.152 178.849 176.600 0.161 0.000 1.049 28 K CA 1.692 58.033 56.287 0.090 0.000 0.931 28 K CB -0.082 32.434 32.500 0.025 0.000 0.714 28 K HN 0.383 nan 8.250 nan 0.000 0.440 29 K N 0.244 120.722 120.400 0.129 0.000 2.103 29 K HA -0.047 4.267 4.320 -0.010 0.000 0.204 29 K C 1.522 178.209 176.600 0.144 0.000 1.052 29 K CA 1.252 57.611 56.287 0.120 0.000 0.945 29 K CB -0.100 32.445 32.500 0.075 0.000 0.722 29 K HN 0.007 nan 8.250 nan 0.000 0.443 30 N N 0.536 119.335 118.700 0.165 0.000 2.270 30 N HA -0.107 4.628 4.740 -0.010 0.000 0.181 30 N C 1.599 177.268 175.510 0.265 0.000 1.016 30 N CA 0.890 54.036 53.050 0.160 0.000 0.870 30 N CB -0.257 38.337 38.487 0.179 0.000 0.979 30 N HN 0.207 nan 8.380 nan 0.000 0.431 31 F N 2.564 122.619 119.950 0.175 0.000 2.102 31 F HA -0.121 4.401 4.527 -0.009 0.000 0.298 31 F C 2.020 177.927 175.800 0.177 0.000 1.105 31 F CA 1.297 59.413 58.000 0.194 0.000 1.239 31 F CB -0.111 38.971 39.000 0.137 0.000 0.991 31 F HN -0.026 nan 8.300 nan 0.000 0.474 32 N N 0.401 119.331 118.700 0.384 0.000 2.188 32 N HA -0.175 4.559 4.740 -0.010 0.000 0.184 32 N C 2.017 177.614 175.510 0.144 0.000 1.018 32 N CA 1.089 54.288 53.050 0.248 0.000 0.858 32 N CB -0.524 38.085 38.487 0.203 0.000 0.989 32 N HN 0.375 nan 8.380 nan 0.000 0.426 33 R N 0.275 120.856 120.500 0.135 0.000 2.073 33 R HA -0.097 4.237 4.340 -0.010 0.000 0.234 33 R C 1.797 178.179 176.300 0.136 0.000 1.134 33 R CA 1.465 57.668 56.100 0.171 0.000 0.952 33 R CB -0.210 30.121 30.300 0.051 0.000 0.850 33 R HN 0.373 nan 8.270 nan 0.000 0.433 34 H N -0.316 118.799 119.070 0.075 0.000 2.389 34 H HA -0.127 4.423 4.556 -0.010 0.000 0.299 34 H C 1.899 177.166 175.328 -0.101 0.000 1.081 34 H CA 1.487 57.512 56.048 -0.038 0.000 1.345 34 H CB 0.048 29.748 29.762 -0.103 0.000 1.393 34 H HN 0.131 nan 8.280 nan 0.000 0.520 35 L N -0.045 121.165 121.223 -0.020 0.000 2.079 35 L HA -0.202 4.132 4.340 -0.010 0.000 0.210 35 L C 2.192 179.043 176.870 -0.031 0.000 1.081 35 L CA 1.861 56.662 54.840 -0.065 0.000 0.752 35 L CB -0.389 41.643 42.059 -0.046 0.000 0.896 35 L HN 0.308 nan 8.230 nan 0.000 0.433 36 H N -1.799 117.198 119.070 -0.121 0.000 2.287 36 H HA -0.048 4.502 4.556 -0.010 0.000 0.309 36 H C 1.799 176.939 175.328 -0.314 0.000 1.059 36 H CA 2.206 58.090 56.048 -0.274 0.000 1.357 36 H CB -0.275 29.227 29.762 -0.433 0.000 1.409 36 H HN 0.280 nan 8.280 nan 0.000 0.515 37 F N -0.389 119.550 119.950 -0.019 0.000 2.234 37 F HA -0.025 4.496 4.527 -0.010 0.000 0.296 37 F C 2.550 178.276 175.800 -0.123 0.000 1.089 37 F CA 1.415 59.361 58.000 -0.090 0.000 1.343 37 F CB -0.317 38.662 39.000 -0.035 0.000 1.040 37 F HN 0.191 nan 8.300 nan 0.000 0.498 38 T N -0.197 114.387 114.554 0.050 0.000 2.953 38 T HA 0.093 4.438 4.350 -0.010 0.000 0.247 38 T C 1.994 176.601 174.700 -0.154 0.000 1.029 38 T CA 0.750 62.806 62.100 -0.073 0.000 1.144 38 T CB -0.249 68.536 68.868 -0.137 0.000 0.870 38 T HN 0.097 nan 8.240 nan 0.000 0.446 39 L N 1.207 122.340 121.223 -0.150 0.000 2.446 39 L HA 0.184 4.518 4.340 -0.010 0.000 0.219 39 L C 0.405 177.181 176.870 -0.157 0.000 1.116 39 L CA -0.022 54.720 54.840 -0.163 0.000 0.844 39 L CB -0.128 41.844 42.059 -0.145 0.000 0.970 39 L HN -0.002 nan 8.230 nan 0.000 0.457 40 V N 0.654 120.458 119.914 -0.184 0.000 6.078 40 V HA -0.262 3.852 4.120 -0.010 0.000 0.301 40 V C -0.141 175.843 176.094 -0.184 0.000 0.571 40 V CA 1.055 63.218 62.300 -0.229 0.000 0.625 40 V CB -2.178 29.535 31.823 -0.183 0.000 0.271 40 V HN 0.418 nan 8.190 nan 0.000 0.788 41 K N 0.840 121.140 120.400 -0.166 0.000 2.482 41 K HA 0.664 4.978 4.320 -0.010 0.000 0.257 41 K C -0.356 176.212 176.600 -0.054 0.000 0.969 41 K CA -0.509 55.714 56.287 -0.106 0.000 0.842 41 K CB 2.774 35.211 32.500 -0.105 0.000 1.359 41 K HN 0.566 nan 8.250 nan 0.000 0.441 42 D N -0.492 119.896 120.400 -0.019 0.000 2.326 42 D HA 0.289 4.923 4.640 -0.010 0.000 0.251 42 D C 0.798 177.130 176.300 0.054 0.000 1.023 42 D CA -0.710 53.312 54.000 0.035 0.000 0.966 42 D CB 1.027 41.846 40.800 0.031 0.000 1.156 42 D HN 0.079 nan 8.370 nan 0.000 0.494 43 R N 0.460 121.022 120.500 0.104 0.000 2.200 43 R HA -0.063 4.271 4.340 -0.010 0.000 0.234 43 R C 0.724 177.099 176.300 0.125 0.000 1.127 43 R CA 0.660 56.860 56.100 0.166 0.000 0.989 43 R CB -0.685 29.718 30.300 0.171 0.000 0.869 43 R HN 0.568 nan 8.270 nan 0.000 0.459 44 N N 0.136 118.878 118.700 0.069 0.000 2.446 44 N HA -0.070 4.665 4.740 -0.010 0.000 0.179 44 N C 1.623 177.151 175.510 0.030 0.000 1.054 44 N CA 1.122 54.203 53.050 0.051 0.000 0.905 44 N CB 0.336 38.843 38.487 0.034 0.000 0.973 44 N HN 0.210 nan 8.380 nan 0.000 0.448 45 V N -2.445 117.474 119.914 0.009 0.000 3.621 45 V HA 0.472 4.586 4.120 -0.010 0.000 0.263 45 V C 1.013 177.074 176.094 -0.055 0.000 1.272 45 V CA -0.409 61.881 62.300 -0.017 0.000 1.080 45 V CB -0.477 31.331 31.823 -0.026 0.000 0.816 45 V HN 0.048 nan 8.190 nan 0.000 0.451 46 A N 2.443 125.207 122.820 -0.094 0.000 2.511 46 A HA 0.520 4.834 4.320 -0.010 0.000 0.242 46 A C 0.764 178.172 177.584 -0.294 0.000 1.069 46 A CA 0.846 52.717 52.037 -0.277 0.000 0.763 46 A CB -0.289 18.416 19.000 -0.492 0.000 1.001 46 A HN 0.827 nan 8.150 nan 0.000 0.498 47 T N 0.217 114.596 114.554 -0.292 0.000 2.948 47 T HA 0.574 4.918 4.350 -0.010 0.000 0.285 47 T C -2.085 172.522 174.700 -0.155 0.000 1.019 47 T CA -1.743 60.271 62.100 -0.142 0.000 1.013 47 T CB 1.141 69.977 68.868 -0.054 0.000 1.117 47 T HN 0.255 nan 8.240 nan 0.000 0.533 48 P HA -0.113 nan 4.420 nan 0.000 0.216 48 P C 1.598 179.005 177.300 0.177 0.000 1.150 48 P CA 1.004 64.236 63.100 0.221 0.000 0.843 48 P CB 0.052 31.849 31.700 0.162 0.000 0.787 49 R N -0.036 120.519 120.500 0.090 0.000 2.075 49 R HA -0.136 4.198 4.340 -0.010 0.000 0.232 49 R C 1.707 178.169 176.300 0.271 0.000 1.126 49 R CA 1.759 57.953 56.100 0.156 0.000 0.963 49 R CB -0.685 29.647 30.300 0.053 0.000 0.858 49 R HN 0.092 nan 8.270 nan 0.000 0.435 50 D N -0.276 120.166 120.400 0.069 0.000 2.123 50 D HA -0.202 4.432 4.640 -0.010 0.000 0.196 50 D C 1.753 178.071 176.300 0.030 0.000 0.992 50 D CA 1.392 55.387 54.000 -0.010 0.000 0.833 50 D CB -0.325 40.329 40.800 -0.244 0.000 0.954 50 D HN 0.312 nan 8.370 nan 0.000 0.455 51 Y N 0.098 120.503 120.300 0.176 0.000 2.200 51 Y HA -0.200 4.344 4.550 -0.009 0.000 0.290 51 Y C 2.334 178.370 175.900 0.227 0.000 1.137 51 Y CA 0.294 58.540 58.100 0.244 0.000 1.163 51 Y CB -1.223 37.439 38.460 0.337 0.000 0.988 51 Y HN 0.077 nan 8.280 nan 0.000 0.518 52 Y N -0.273 120.170 120.300 0.239 0.000 2.081 52 Y HA -0.327 4.217 4.550 -0.010 0.000 0.280 52 Y C 2.030 177.904 175.900 -0.043 0.000 1.163 52 Y CA 1.462 59.596 58.100 0.056 0.000 1.135 52 Y CB -1.198 37.197 38.460 -0.108 0.000 0.970 52 Y HN 0.053 nan 8.280 nan 0.000 0.498 53 F N 0.167 119.900 119.950 -0.362 0.000 2.171 53 F HA -0.161 4.360 4.527 -0.009 0.000 0.300 53 F C 2.641 178.281 175.800 -0.267 0.000 1.090 53 F CA 1.330 59.063 58.000 -0.445 0.000 1.293 53 F CB -0.839 38.074 39.000 -0.145 0.000 1.013 53 F HN 0.216 nan 8.300 nan 0.000 0.486 54 A N -0.224 122.541 122.820 -0.092 0.000 1.902 54 A HA -0.166 4.148 4.320 -0.010 0.000 0.217 54 A C 2.056 179.506 177.584 -0.224 0.000 1.181 54 A CA 1.472 53.323 52.037 -0.310 0.000 0.623 54 A CB -0.968 17.516 19.000 -0.859 0.000 0.818 54 A HN 0.337 nan 8.150 nan 0.000 0.443 55 L N -0.174 121.038 121.223 -0.018 0.000 2.027 55 L HA -0.031 4.303 4.340 -0.010 0.000 0.206 55 L C 2.691 179.548 176.870 -0.021 0.000 1.074 55 L CA 2.196 57.151 54.840 0.192 0.000 0.745 55 L CB -0.993 41.248 42.059 0.305 0.000 0.898 55 L HN 0.343 nan 8.230 nan 0.000 0.433 56 A N -1.203 121.433 122.820 -0.306 0.000 1.883 56 A HA -0.298 4.016 4.320 -0.010 0.000 0.217 56 A C 2.150 179.388 177.584 -0.576 0.000 1.186 56 A CA 2.090 53.826 52.037 -0.502 0.000 0.624 56 A CB -1.153 17.229 19.000 -1.030 0.000 0.822 56 A HN 0.687 nan 8.150 nan 0.000 0.444 57 H N -0.778 117.986 119.070 -0.509 0.000 2.387 57 H HA -0.070 4.481 4.556 -0.010 0.000 0.299 57 H C 2.356 177.417 175.328 -0.445 0.000 1.090 57 H CA 2.012 57.685 56.048 -0.625 0.000 1.332 57 H CB -0.220 28.931 29.762 -1.019 0.000 1.386 57 H HN 0.472 nan 8.280 nan 0.000 0.516 58 T N -0.284 114.224 114.554 -0.077 0.000 2.708 58 T HA -0.134 4.211 4.350 -0.010 0.000 0.266 58 T C 2.257 177.123 174.700 0.277 0.000 1.037 58 T CA 1.381 63.618 62.100 0.228 0.000 1.146 58 T CB -0.378 68.685 68.868 0.325 0.000 0.865 58 T HN 0.100 nan 8.240 nan 0.000 0.435 59 V N 1.690 121.723 119.914 0.199 0.000 2.358 59 V HA -0.113 4.001 4.120 -0.010 0.000 0.246 59 V C 2.630 178.890 176.094 0.278 0.000 1.047 59 V CA 1.535 63.980 62.300 0.241 0.000 1.035 59 V CB -0.662 31.302 31.823 0.234 0.000 0.658 59 V HN 0.382 nan 8.190 nan 0.000 0.452 60 R N 0.378 120.994 120.500 0.194 0.000 2.117 60 R HA -0.238 4.097 4.340 -0.010 0.000 0.243 60 R C 1.938 178.343 176.300 0.175 0.000 1.143 60 R CA 2.221 58.431 56.100 0.184 0.000 0.968 60 R CB -0.527 29.723 30.300 -0.083 0.000 0.863 60 R HN 0.469 nan 8.270 nan 0.000 0.444 61 D N 0.001 120.498 120.400 0.162 0.000 2.158 61 D HA -0.181 4.454 4.640 -0.010 0.000 0.197 61 D C 1.754 178.092 176.300 0.063 0.000 0.995 61 D CA 1.198 55.272 54.000 0.123 0.000 0.846 61 D CB -0.459 40.414 40.800 0.122 0.000 0.941 61 D HN 0.490 nan 8.370 nan 0.000 0.456 62 H N -0.330 118.803 119.070 0.105 0.000 2.521 62 H HA 0.039 4.589 4.556 -0.009 0.000 0.286 62 H C 2.172 177.540 175.328 0.067 0.000 1.034 62 H CA 0.340 56.434 56.048 0.076 0.000 1.278 62 H CB 0.315 30.114 29.762 0.062 0.000 1.386 62 H HN 0.200 nan 8.280 nan 0.000 0.567 63 L N 0.594 121.926 121.223 0.182 0.000 2.209 63 L HA -0.100 4.235 4.340 -0.010 0.000 0.207 63 L C 2.760 179.735 176.870 0.176 0.000 1.094 63 L CA 0.390 55.302 54.840 0.121 0.000 0.790 63 L CB -0.098 42.001 42.059 0.067 0.000 0.932 63 L HN 0.125 nan 8.230 nan 0.000 0.447 64 V N -2.357 117.678 119.914 0.201 0.000 2.358 64 V HA -0.079 4.035 4.120 -0.010 0.000 0.246 64 V C 2.274 178.478 176.094 0.184 0.000 1.047 64 V CA 1.930 64.384 62.300 0.258 0.000 1.035 64 V CB -1.531 30.409 31.823 0.195 0.000 0.658 64 V HN 0.342 nan 8.190 nan 0.000 0.452 65 G N 0.353 109.216 108.800 0.104 0.000 2.421 65 G HA2 -0.230 3.725 3.960 -0.010 0.000 0.216 65 G HA3 -0.230 3.725 3.960 -0.010 0.000 0.216 65 G C 1.746 176.689 174.900 0.071 0.000 1.171 65 G CA 0.962 46.098 45.100 0.061 0.000 0.775 65 G HN 0.552 nan 8.290 nan 0.000 0.543 66 R N -1.395 119.156 120.500 0.084 0.000 2.096 66 R HA -0.073 4.261 4.340 -0.010 0.000 0.235 66 R C 2.260 178.638 176.300 0.130 0.000 1.127 66 R CA 1.183 57.322 56.100 0.066 0.000 0.968 66 R CB -0.378 29.946 30.300 0.039 0.000 0.861 66 R HN 0.467 nan 8.270 nan 0.000 0.440 67 W N 1.614 122.893 121.300 -0.035 0.000 2.354 67 W HA -0.085 4.570 4.660 -0.009 0.000 0.315 67 W C 1.764 178.253 176.519 -0.051 0.000 1.206 67 W CA 0.965 58.286 57.345 -0.041 0.000 1.290 67 W CB -0.670 28.785 29.460 -0.009 0.000 1.152 67 W HN -0.042 nan 8.180 nan 0.000 0.489 68 I N 1.017 121.641 120.570 0.090 0.000 2.226 68 I HA -0.350 3.815 4.170 -0.010 0.000 0.245 68 I C 2.645 178.742 176.117 -0.034 0.000 1.100 68 I CA 2.094 63.363 61.300 -0.053 0.000 1.374 68 I CB -0.626 37.345 38.000 -0.048 0.000 1.057 68 I HN 0.005 nan 8.210 nan 0.000 0.413 69 R N 0.144 120.640 120.500 -0.006 0.000 2.161 69 R HA -0.001 4.333 4.340 -0.010 0.000 0.213 69 R C 1.886 178.149 176.300 -0.062 0.000 1.055 69 R CA 1.273 57.359 56.100 -0.024 0.000 0.996 69 R CB -1.058 29.230 30.300 -0.021 0.000 0.901 69 R HN 0.164 nan 8.270 nan 0.000 0.456 70 T N 1.727 116.224 114.554 -0.094 0.000 2.674 70 T HA -0.110 4.234 4.350 -0.010 0.000 0.265 70 T C 1.804 176.234 174.700 -0.449 0.000 1.039 70 T CA 1.384 63.321 62.100 -0.272 0.000 1.150 70 T CB -0.113 68.628 68.868 -0.211 0.000 0.864 70 T HN 0.248 nan 8.240 nan 0.000 0.427 71 Q N 0.805 120.477 119.800 -0.212 0.000 2.119 71 Q HA -0.084 4.251 4.340 -0.010 0.000 0.201 71 Q C 2.362 178.357 176.000 -0.007 0.000 0.972 71 Q CA 1.236 56.979 55.803 -0.100 0.000 0.847 71 Q CB -0.506 28.213 28.738 -0.032 0.000 0.903 71 Q HN 0.506 nan 8.270 nan 0.000 0.433 72 Q N 0.411 120.202 119.800 -0.014 0.000 2.050 72 Q HA -0.207 4.128 4.340 -0.010 0.000 0.202 72 Q C 1.947 178.026 176.000 0.132 0.000 0.980 72 Q CA 2.028 57.868 55.803 0.061 0.000 0.840 72 Q CB -0.430 28.326 28.738 0.030 0.000 0.898 72 Q HN 0.556 nan 8.270 nan 0.000 0.424 73 H N -0.970 118.072 119.070 -0.046 0.000 2.352 73 H HA -0.188 4.363 4.556 -0.010 0.000 0.299 73 H C 1.169 176.559 175.328 0.104 0.000 1.097 73 H CA 2.277 58.310 56.048 -0.024 0.000 1.311 73 H CB -0.337 29.350 29.762 -0.125 0.000 1.377 73 H HN 0.383 nan 8.280 nan 0.000 0.504 74 Y N -1.118 119.178 120.300 -0.006 0.000 2.293 74 Y HA -0.158 4.386 4.550 -0.010 0.000 0.291 74 Y C 2.389 178.293 175.900 0.007 0.000 1.137 74 Y CA 0.963 59.031 58.100 -0.053 0.000 1.202 74 Y CB -1.297 37.200 38.460 0.062 0.000 0.990 74 Y HN 0.369 nan 8.280 nan 0.000 0.537 75 Y N 1.258 121.622 120.300 0.107 0.000 2.200 75 Y HA -0.157 4.387 4.550 -0.010 0.000 0.290 75 Y C 2.076 177.980 175.900 0.007 0.000 1.137 75 Y CA 1.634 59.766 58.100 0.053 0.000 1.163 75 Y CB -0.034 38.449 38.460 0.040 0.000 0.988 75 Y HN 0.073 nan 8.280 nan 0.000 0.518 76 E N 0.328 120.526 120.200 -0.004 0.000 2.028 76 E HA -0.166 4.179 4.350 -0.010 0.000 0.190 76 E C 2.004 178.521 176.600 -0.138 0.000 0.984 76 E CA 1.207 57.555 56.400 -0.085 0.000 0.800 76 E CB -0.275 29.437 29.700 0.021 0.000 0.758 76 E HN 0.475 nan 8.360 nan 0.000 0.448 77 K N 0.660 120.965 120.400 -0.159 0.000 2.296 77 K HA -0.082 4.232 4.320 -0.010 0.000 0.200 77 K C -0.005 176.523 176.600 -0.121 0.000 1.048 77 K CA 0.477 56.671 56.287 -0.155 0.000 0.966 77 K CB -0.026 32.323 32.500 -0.253 0.000 0.754 77 K HN 0.006 nan 8.250 nan 0.000 0.466 78 D N 0.960 121.292 120.400 -0.114 0.000 2.735 78 D HA -0.102 4.532 4.640 -0.010 0.000 0.235 78 D C -2.406 173.851 176.300 -0.071 0.000 1.175 78 D CA 0.080 54.026 54.000 -0.091 0.000 0.683 78 D CB -0.092 40.630 40.800 -0.131 0.000 1.008 78 D HN 0.175 nan 8.370 nan 0.000 0.416 79 P HA 0.089 nan 4.420 nan 0.000 0.275 79 P C -0.075 177.176 177.300 -0.082 0.000 1.266 79 P CA -0.568 62.485 63.100 -0.079 0.000 0.793 79 P CB 0.606 32.240 31.700 -0.111 0.000 1.074 80 K N 1.126 121.485 120.400 -0.069 0.000 2.451 80 K HA 0.044 4.358 4.320 -0.010 0.000 0.280 80 K C 0.058 176.575 176.600 -0.139 0.000 1.020 80 K CA 0.104 56.346 56.287 -0.075 0.000 1.008 80 K CB 0.224 32.698 32.500 -0.043 0.000 0.917 80 K HN 0.315 nan 8.250 nan 0.000 0.478 81 R N 3.919 124.325 120.500 -0.157 0.000 2.407 81 R HA 0.367 4.701 4.340 -0.010 0.000 0.303 81 R C -0.537 175.517 176.300 -0.411 0.000 0.981 81 R CA -0.904 55.031 56.100 -0.276 0.000 0.905 81 R CB 1.012 31.166 30.300 -0.243 0.000 1.099 81 R HN 0.471 nan 8.270 nan 0.000 0.459 82 I N 3.911 124.180 120.570 -0.502 0.000 2.339 82 I HA 0.224 4.388 4.170 -0.010 0.000 0.290 82 I C -0.645 175.182 176.117 -0.483 0.000 0.994 82 I CA -0.940 60.022 61.300 -0.563 0.000 1.191 82 I CB 0.780 38.327 38.000 -0.756 0.000 1.343 82 I HN 0.519 nan 8.210 nan 0.000 0.458 83 Y N 6.022 126.283 120.300 -0.064 0.000 2.356 83 Y HA 0.300 4.845 4.550 -0.009 0.000 0.334 83 Y C -0.326 175.675 175.900 0.169 0.000 0.958 83 Y CA -0.687 57.492 58.100 0.131 0.000 1.196 83 Y CB 1.193 39.686 38.460 0.055 0.000 1.137 83 Y HN 0.408 nan 8.280 nan 0.000 0.485 84 Y N 4.583 125.063 120.300 0.300 0.000 2.434 84 Y HA 0.494 5.039 4.550 -0.009 0.000 0.341 84 Y C -1.305 174.857 175.900 0.437 0.000 0.965 84 Y CA -0.964 57.320 58.100 0.307 0.000 1.205 84 Y CB 0.336 38.975 38.460 0.298 0.000 1.121 84 Y HN 0.513 nan 8.280 nan 0.000 0.507 85 L N 5.007 126.287 121.223 0.096 0.000 2.265 85 L HA 0.502 4.836 4.340 -0.010 0.000 0.288 85 L C -0.230 176.667 176.870 0.045 0.000 1.058 85 L CA 0.106 55.056 54.840 0.184 0.000 0.809 85 L CB 1.356 43.486 42.059 0.119 0.000 1.179 85 L HN 0.581 nan 8.230 nan 0.000 0.429 86 S N 2.353 118.158 115.700 0.175 0.000 2.533 86 S HA 0.484 4.949 4.470 -0.010 0.000 0.271 86 S C 0.260 174.940 174.600 0.134 0.000 1.143 86 S CA -0.507 57.689 58.200 -0.006 0.000 0.891 86 S CB 1.005 63.959 63.200 -0.410 0.000 1.105 86 S HN 0.468 nan 8.310 nan 0.000 0.468 87 L N 2.828 124.168 121.223 0.194 0.000 2.599 87 L HA 0.419 4.753 4.340 -0.010 0.000 0.230 87 L C 0.334 177.387 176.870 0.305 0.000 1.141 87 L CA 1.047 56.066 54.840 0.298 0.000 0.877 87 L CB -0.072 42.181 42.059 0.323 0.000 1.009 87 L HN 0.638 nan 8.230 nan 0.000 0.447 88 E N -1.231 119.020 120.200 0.086 0.000 2.275 88 E HA 0.388 4.732 4.350 -0.010 0.000 0.270 88 E C -1.383 175.097 176.600 -0.201 0.000 0.882 88 E CA -0.411 56.026 56.400 0.062 0.000 0.758 88 E CB 1.781 31.499 29.700 0.031 0.000 1.195 88 E HN -0.157 nan 8.360 nan 0.000 0.419 89 F N 2.268 122.327 119.950 0.182 0.000 2.610 89 F HA 0.191 4.712 4.527 -0.010 0.000 0.355 89 F C -0.800 175.090 175.800 0.150 0.000 1.140 89 F CA -0.805 57.290 58.000 0.159 0.000 1.037 89 F CB 1.013 40.097 39.000 0.140 0.000 1.287 89 F HN 0.484 nan 8.300 nan 0.000 0.457 90 Y N 5.432 125.811 120.300 0.133 0.000 2.714 90 Y HA 0.246 4.790 4.550 -0.009 0.000 0.333 90 Y C 0.802 176.722 175.900 0.034 0.000 1.220 90 Y CA -1.124 57.003 58.100 0.044 0.000 1.513 90 Y CB 0.385 38.855 38.460 0.016 0.000 1.435 90 Y HN 0.561 nan 8.280 nan 0.000 0.489 91 M N 1.494 121.219 119.600 0.207 0.000 2.388 91 M HA 0.139 4.614 4.480 -0.010 0.000 0.265 91 M C 1.532 177.800 176.300 -0.053 0.000 1.088 91 M CA 1.029 56.359 55.300 0.051 0.000 1.134 91 M CB -1.115 31.494 32.600 0.015 0.000 1.384 91 M HN 0.690 nan 8.290 nan 0.000 0.447 92 G N 1.372 110.148 108.800 -0.040 0.000 2.569 92 G HA2 -0.275 3.679 3.960 -0.010 0.000 0.259 92 G HA3 -0.275 3.679 3.960 -0.010 0.000 0.259 92 G C -0.256 174.593 174.900 -0.086 0.000 1.263 92 G CA -0.316 44.723 45.100 -0.102 0.000 0.928 92 G HN 0.441 nan 8.290 nan 0.000 0.572 93 R N -0.755 119.676 120.500 -0.115 0.000 2.531 93 R HA 0.560 4.894 4.340 -0.010 0.000 0.273 93 R C 1.096 177.275 176.300 -0.201 0.000 1.070 93 R CA 0.325 56.365 56.100 -0.099 0.000 1.112 93 R CB 0.665 30.915 30.300 -0.085 0.000 1.049 93 R HN 0.517 nan 8.270 nan 0.000 0.508 94 T N 1.112 115.496 114.554 -0.284 0.000 2.969 94 T HA -0.004 4.340 4.350 -0.010 0.000 0.250 94 T C 1.401 175.718 174.700 -0.639 0.000 1.021 94 T CA -0.113 61.605 62.100 -0.636 0.000 1.003 94 T CB 0.153 68.257 68.868 -1.274 0.000 1.040 94 T HN 0.316 nan 8.240 nan 0.000 0.492 95 L N 1.845 122.919 121.223 -0.249 0.000 1.976 95 L HA 0.026 4.360 4.340 -0.010 0.000 0.209 95 L C 2.449 179.279 176.870 -0.067 0.000 1.071 95 L CA 1.984 56.825 54.840 0.001 0.000 0.746 95 L CB -0.678 41.590 42.059 0.349 0.000 0.890 95 L HN 0.158 nan 8.230 nan 0.000 0.432 96 Q N -0.684 119.075 119.800 -0.067 0.000 2.084 96 Q HA -0.254 4.080 4.340 -0.010 0.000 0.202 96 Q C 2.226 178.150 176.000 -0.126 0.000 0.978 96 Q CA 1.835 57.592 55.803 -0.078 0.000 0.844 96 Q CB -0.301 28.390 28.738 -0.079 0.000 0.898 96 Q HN 0.696 nan 8.270 nan 0.000 0.426 97 N N -0.989 117.596 118.700 -0.191 0.000 2.149 97 N HA -0.151 4.583 4.740 -0.010 0.000 0.188 97 N C 1.338 176.738 175.510 -0.183 0.000 1.019 97 N CA 1.775 54.703 53.050 -0.203 0.000 0.857 97 N CB 0.077 38.410 38.487 -0.257 0.000 0.997 97 N HN 0.216 nan 8.380 nan 0.000 0.426 98 T N 1.260 115.672 114.554 -0.237 0.000 2.777 98 T HA -0.043 4.302 4.350 -0.010 0.000 0.266 98 T C 2.080 176.716 174.700 -0.107 0.000 1.040 98 T CA 1.001 62.979 62.100 -0.203 0.000 1.141 98 T CB -0.058 68.645 68.868 -0.275 0.000 0.868 98 T HN 0.253 nan 8.240 nan 0.000 0.444 99 M N 0.646 120.198 119.600 -0.080 0.000 2.080 99 M HA -0.107 4.367 4.480 -0.010 0.000 0.260 99 M C 2.499 178.765 176.300 -0.057 0.000 1.068 99 M CA 1.345 56.612 55.300 -0.055 0.000 1.109 99 M CB -0.761 31.821 32.600 -0.030 0.000 1.342 99 M HN 0.095 nan 8.290 nan 0.000 0.405 100 V N 1.081 120.966 119.914 -0.047 0.000 2.252 100 V HA -0.307 3.807 4.120 -0.010 0.000 0.249 100 V C 1.866 177.971 176.094 0.018 0.000 1.056 100 V CA 2.121 64.420 62.300 -0.002 0.000 1.022 100 V CB -0.942 30.882 31.823 0.001 0.000 0.641 100 V HN 0.484 nan 8.190 nan 0.000 0.445 101 N N -0.496 118.200 118.700 -0.006 0.000 2.396 101 N HA -0.045 4.689 4.740 -0.010 0.000 0.180 101 N C 1.112 176.533 175.510 -0.148 0.000 1.028 101 N CA 0.742 53.776 53.050 -0.027 0.000 0.893 101 N CB -0.136 38.339 38.487 -0.020 0.000 0.967 101 N HN 0.288 nan 8.380 nan 0.000 0.440 102 L N -0.182 120.970 121.223 -0.120 0.000 2.640 102 L HA 0.391 4.725 4.340 -0.010 0.000 0.230 102 L C 0.593 177.384 176.870 -0.132 0.000 1.123 102 L CA -0.219 54.550 54.840 -0.119 0.000 0.900 102 L CB -0.819 41.191 42.059 -0.081 0.000 1.146 102 L HN 0.109 nan 8.230 nan 0.000 0.484 103 A N -0.473 122.264 122.820 -0.139 0.000 2.869 103 A HA -0.225 4.090 4.320 -0.010 0.000 0.280 103 A C 1.152 178.680 177.584 -0.093 0.000 1.458 103 A CA 1.125 53.091 52.037 -0.118 0.000 0.776 103 A CB -2.032 16.885 19.000 -0.138 0.000 1.028 103 A HN 0.322 nan 8.150 nan 0.000 0.547 104 L N -1.536 119.632 121.223 -0.090 0.000 2.693 104 L HA 0.162 4.496 4.340 -0.010 0.000 0.235 104 L C 1.956 178.788 176.870 -0.063 0.000 1.127 104 L CA 0.718 55.499 54.840 -0.098 0.000 0.914 104 L CB 0.107 42.079 42.059 -0.145 0.000 1.193 104 L HN 0.652 nan 8.230 nan 0.000 0.502 105 E N 0.635 120.807 120.200 -0.046 0.000 2.051 105 E HA -0.212 4.132 4.350 -0.010 0.000 0.192 105 E C 1.639 178.224 176.600 -0.025 0.000 0.991 105 E CA 1.230 57.613 56.400 -0.029 0.000 0.799 105 E CB 0.285 29.971 29.700 -0.023 0.000 0.748 105 E HN 0.407 nan 8.360 nan 0.000 0.449 106 N N 0.234 118.916 118.700 -0.030 0.000 2.142 106 N HA -0.124 4.610 4.740 -0.010 0.000 0.186 106 N C 1.601 177.094 175.510 -0.029 0.000 1.023 106 N CA 1.213 54.245 53.050 -0.030 0.000 0.852 106 N CB -0.393 38.075 38.487 -0.031 0.000 0.998 106 N HN 0.196 nan 8.380 nan 0.000 0.424 107 A N 0.535 123.336 122.820 -0.031 0.000 1.883 107 A HA -0.169 4.146 4.320 -0.010 0.000 0.217 107 A C 2.667 180.240 177.584 -0.017 0.000 1.186 107 A CA 1.489 53.511 52.037 -0.025 0.000 0.624 107 A CB -1.066 17.912 19.000 -0.037 0.000 0.822 107 A HN 0.450 nan 8.150 nan 0.000 0.444 108 C N -0.932 118.357 119.300 -0.018 0.000 2.440 108 C HA -0.060 4.394 4.460 -0.010 0.000 0.278 108 C C 2.462 177.451 174.990 -0.001 0.000 1.295 108 C CA 1.061 60.079 59.018 -0.001 0.000 1.738 108 C CB -1.149 26.601 27.740 0.015 0.000 1.987 108 C HN 0.692 nan 8.230 nan 0.000 0.492 109 D N 0.726 121.125 120.400 -0.002 0.000 2.097 109 D HA -0.142 4.492 4.640 -0.010 0.000 0.195 109 D C 2.128 178.438 176.300 0.017 0.000 0.989 109 D CA 1.514 55.515 54.000 0.002 0.000 0.827 109 D CB -0.253 40.537 40.800 -0.017 0.000 0.966 109 D HN 0.451 nan 8.370 nan 0.000 0.456 110 E N 0.285 120.487 120.200 0.003 0.000 2.031 110 E HA -0.081 4.263 4.350 -0.010 0.000 0.193 110 E C 1.907 178.544 176.600 0.062 0.000 0.994 110 E CA 1.683 58.103 56.400 0.033 0.000 0.800 110 E CB -0.639 29.064 29.700 0.005 0.000 0.752 110 E HN 0.212 nan 8.360 nan 0.000 0.447 111 A N -0.119 122.706 122.820 0.007 0.000 1.892 111 A HA -0.249 4.065 4.320 -0.010 0.000 0.218 111 A C 2.504 180.020 177.584 -0.114 0.000 1.188 111 A CA 3.115 55.130 52.037 -0.037 0.000 0.631 111 A CB -1.543 17.436 19.000 -0.033 0.000 0.822 111 A HN 0.537 nan 8.150 nan 0.000 0.447 112 T N -3.568 110.914 114.554 -0.121 0.000 2.777 112 T HA -0.224 4.120 4.350 -0.010 0.000 0.266 112 T C 1.855 176.477 174.700 -0.131 0.000 1.040 112 T CA 1.520 63.493 62.100 -0.211 0.000 1.141 112 T CB -0.657 68.126 68.868 -0.142 0.000 0.868 112 T HN 0.477 nan 8.240 nan 0.000 0.444 113 Y N 2.307 122.529 120.300 -0.130 0.000 2.114 113 Y HA -0.178 4.367 4.550 -0.009 0.000 0.282 113 Y C 2.642 178.481 175.900 -0.102 0.000 1.165 113 Y CA 1.772 59.813 58.100 -0.098 0.000 1.148 113 Y CB -0.547 37.874 38.460 -0.065 0.000 0.972 113 Y HN 0.257 nan 8.280 nan 0.000 0.504 114 Q N -0.963 118.777 119.800 -0.100 0.000 2.291 114 Q HA -0.119 4.215 4.340 -0.010 0.000 0.205 114 Q C 1.552 177.426 176.000 -0.211 0.000 0.970 114 Q CA 0.845 56.548 55.803 -0.167 0.000 0.876 114 Q CB -0.056 28.661 28.738 -0.036 0.000 0.935 114 Q HN 0.361 nan 8.270 nan 0.000 0.455 115 L N -0.975 120.104 121.223 -0.240 0.000 2.599 115 L HA 0.132 4.466 4.340 -0.010 0.000 0.230 115 L C 1.178 177.882 176.870 -0.276 0.000 1.141 115 L CA 1.285 55.965 54.840 -0.265 0.000 0.877 115 L CB -0.403 41.417 42.059 -0.399 0.000 1.009 115 L HN 0.329 nan 8.230 nan 0.000 0.447 116 G N -0.363 108.256 108.800 -0.300 0.000 2.132 116 G HA2 -0.236 3.718 3.960 -0.010 0.000 0.228 116 G HA3 -0.236 3.718 3.960 -0.010 0.000 0.228 116 G C 0.069 174.831 174.900 -0.230 0.000 1.000 116 G CA 0.241 45.176 45.100 -0.274 0.000 0.693 116 G HN 0.287 nan 8.290 nan 0.000 0.515 117 L N -0.262 120.822 121.223 -0.231 0.000 2.333 117 L HA 0.689 5.023 4.340 -0.010 0.000 0.269 117 L C -0.480 176.353 176.870 -0.061 0.000 1.010 117 L CA -1.208 53.529 54.840 -0.172 0.000 0.818 117 L CB 1.798 43.699 42.059 -0.263 0.000 1.306 117 L HN 0.067 nan 8.230 nan 0.000 0.430 118 D N 1.541 121.936 120.400 -0.008 0.000 2.373 118 D HA 0.210 4.844 4.640 -0.010 0.000 0.227 118 D C 0.550 176.878 176.300 0.046 0.000 1.091 118 D CA -0.292 53.730 54.000 0.037 0.000 0.840 118 D CB 1.591 42.418 40.800 0.045 0.000 1.060 118 D HN 0.512 nan 8.370 nan 0.000 0.502 119 M N 3.087 122.716 119.600 0.048 0.000 2.213 119 M HA -0.115 4.359 4.480 -0.010 0.000 0.263 119 M C 1.227 177.567 176.300 0.066 0.000 1.062 119 M CA 1.481 56.817 55.300 0.061 0.000 1.105 119 M CB 0.229 32.859 32.600 0.049 0.000 1.385 119 M HN 0.416 nan 8.290 nan 0.000 0.417 120 E N -0.219 120.012 120.200 0.051 0.000 2.150 120 E HA -0.239 4.105 4.350 -0.010 0.000 0.193 120 E C 1.815 178.444 176.600 0.048 0.000 0.985 120 E CA 1.224 57.651 56.400 0.043 0.000 0.814 120 E CB -0.133 29.589 29.700 0.037 0.000 0.752 120 E HN 0.644 nan 8.360 nan 0.000 0.466 121 E N 0.513 120.747 120.200 0.056 0.000 2.072 121 E HA -0.178 4.166 4.350 -0.010 0.000 0.190 121 E C 1.919 178.557 176.600 0.064 0.000 0.982 121 E CA 0.494 56.928 56.400 0.057 0.000 0.803 121 E CB 0.201 29.937 29.700 0.060 0.000 0.755 121 E HN 0.077 nan 8.360 nan 0.000 0.453 122 L N 1.534 122.817 121.223 0.099 0.000 2.093 122 L HA -0.140 4.195 4.340 -0.010 0.000 0.208 122 L C 2.077 178.999 176.870 0.087 0.000 1.085 122 L CA 1.632 56.562 54.840 0.151 0.000 0.755 122 L CB -0.711 41.490 42.059 0.237 0.000 0.904 122 L HN 0.141 nan 8.230 nan 0.000 0.435 123 E N -0.662 119.580 120.200 0.071 0.000 2.160 123 E HA -0.209 4.135 4.350 -0.010 0.000 0.195 123 E C 1.828 178.382 176.600 -0.077 0.000 0.991 123 E CA 0.904 57.316 56.400 0.019 0.000 0.810 123 E CB 0.003 29.720 29.700 0.029 0.000 0.742 123 E HN 0.412 nan 8.360 nan 0.000 0.466 124 E N 0.198 120.368 120.200 -0.049 0.000 2.409 124 E HA -0.112 4.232 4.350 -0.010 0.000 0.198 124 E C 1.850 178.379 176.600 -0.117 0.000 1.024 124 E CA 0.534 56.904 56.400 -0.050 0.000 0.861 124 E CB 0.037 29.743 29.700 0.010 0.000 0.788 124 E HN 0.402 nan 8.360 nan 0.000 0.521 125 I N 0.850 121.285 120.570 -0.224 0.000 2.500 125 I HA -0.114 4.050 4.170 -0.010 0.000 0.252 125 I C 1.395 177.200 176.117 -0.518 0.000 1.142 125 I CA 0.261 61.363 61.300 -0.331 0.000 1.451 125 I CB 0.091 37.904 38.000 -0.312 0.000 1.093 125 I HN -0.023 nan 8.210 nan 0.000 0.430 126 E N 2.654 122.410 120.200 -0.739 0.000 2.414 126 E HA -0.056 4.288 4.350 -0.010 0.000 0.263 126 E C -0.235 176.271 176.600 -0.156 0.000 1.000 126 E CA -0.152 55.899 56.400 -0.583 0.000 0.914 126 E CB 0.583 30.056 29.700 -0.377 0.000 0.948 126 E HN 0.097 nan 8.360 nan 0.000 0.444 127 E N 3.457 123.665 120.200 0.013 0.000 2.354 127 E HA 0.058 4.402 4.350 -0.010 0.000 0.269 127 E C -0.764 175.934 176.600 0.163 0.000 1.036 127 E CA -0.270 56.218 56.400 0.145 0.000 0.876 127 E CB 0.709 30.587 29.700 0.297 0.000 1.009 127 E HN 0.491 nan 8.360 nan 0.000 0.416 128 D N 0.847 121.314 120.400 0.113 0.000 2.443 128 D HA 0.121 4.755 4.640 -0.010 0.000 0.239 128 D C -0.297 176.037 176.300 0.056 0.000 1.136 128 D CA 0.264 54.305 54.000 0.068 0.000 0.879 128 D CB 0.534 41.358 40.800 0.040 0.000 1.195 128 D HN 0.373 nan 8.370 nan 0.000 0.443 129 A N 2.324 125.122 122.820 -0.036 0.000 2.527 129 A HA 0.485 4.799 4.320 -0.010 0.000 0.313 129 A C 0.991 178.403 177.584 -0.287 0.000 1.410 129 A CA -0.402 51.401 52.037 -0.389 0.000 1.060 129 A CB -0.180 18.666 19.000 -0.256 0.000 1.137 129 A HN 0.530 nan 8.150 nan 0.000 0.542 130 G N 2.179 110.753 108.800 -0.376 0.000 3.943 130 G HA2 0.425 4.379 3.960 -0.010 0.000 0.275 130 G HA3 0.425 4.379 3.960 -0.010 0.000 0.275 130 G C 0.278 174.967 174.900 -0.351 0.000 1.234 130 G CA -0.295 44.697 45.100 -0.179 0.000 1.522 130 G HN 0.687 nan 8.290 nan 0.000 0.636 131 L N 1.329 122.396 121.223 -0.260 0.000 2.862 131 L HA 0.392 4.726 4.340 -0.010 0.000 0.240 131 L C 1.050 177.856 176.870 -0.107 0.000 1.283 131 L CA -0.195 54.585 54.840 -0.099 0.000 1.117 131 L CB -0.331 41.789 42.059 0.101 0.000 1.444 131 L HN 0.333 nan 8.230 nan 0.000 0.456 132 G N -1.289 107.223 108.800 -0.478 0.000 2.608 132 G HA2 0.193 4.147 3.960 -0.010 0.000 0.291 132 G HA3 0.193 4.147 3.960 -0.010 0.000 0.291 132 G C -0.173 174.269 174.900 -0.762 0.000 1.425 132 G CA -0.443 44.360 45.100 -0.495 0.000 0.787 132 G HN -0.086 nan 8.290 nan 0.000 0.484 133 N N -0.905 117.572 118.700 -0.372 0.000 2.439 133 N HA 0.227 4.961 4.740 -0.010 0.000 0.176 133 N C 1.112 176.619 175.510 -0.005 0.000 1.029 133 N CA 1.267 54.198 53.050 -0.198 0.000 0.886 133 N CB 1.339 39.818 38.487 -0.014 0.000 1.057 133 N HN 0.828 nan 8.380 nan 0.000 0.437 134 G N -0.668 108.216 108.800 0.139 0.000 2.825 134 G HA2 0.194 4.148 3.960 -0.010 0.000 0.100 134 G HA3 0.194 4.148 3.960 -0.010 0.000 0.100 134 G C 0.673 175.710 174.900 0.228 0.000 1.195 134 G CA 0.249 45.518 45.100 0.282 0.000 1.317 134 G HN 0.154 nan 8.290 nan 0.000 0.632 135 G N 0.332 109.206 108.800 0.123 0.000 2.418 135 G HA2 -0.010 3.944 3.960 -0.010 0.000 0.217 135 G HA3 -0.010 3.944 3.960 -0.010 0.000 0.217 135 G C 1.865 176.768 174.900 0.005 0.000 1.158 135 G CA 1.458 46.589 45.100 0.052 0.000 0.771 135 G HN 0.757 nan 8.290 nan 0.000 0.545 136 L N 0.585 121.790 121.223 -0.031 0.000 2.056 136 L HA 0.134 4.468 4.340 -0.010 0.000 0.207 136 L C 2.802 179.615 176.870 -0.096 0.000 1.078 136 L CA 1.901 56.642 54.840 -0.166 0.000 0.749 136 L CB -0.545 41.356 42.059 -0.264 0.000 0.901 136 L HN 0.215 nan 8.230 nan 0.000 0.433 137 G N -0.540 108.265 108.800 0.007 0.000 2.408 137 G HA2 -0.289 3.665 3.960 -0.010 0.000 0.217 137 G HA3 -0.289 3.665 3.960 -0.010 0.000 0.217 137 G C 1.673 176.657 174.900 0.141 0.000 1.150 137 G CA 0.598 45.731 45.100 0.054 0.000 0.776 137 G HN 0.258 nan 8.290 nan 0.000 0.542 138 R N 0.310 120.918 120.500 0.179 0.000 2.115 138 R HA 0.129 4.463 4.340 -0.010 0.000 0.226 138 R C 2.325 178.633 176.300 0.014 0.000 1.100 138 R CA 0.749 56.918 56.100 0.115 0.000 0.980 138 R CB -1.124 29.204 30.300 0.046 0.000 0.875 138 R HN 0.349 nan 8.270 nan 0.000 0.445 139 L N 0.504 121.669 121.223 -0.096 0.000 2.046 139 L HA -0.033 4.301 4.340 -0.010 0.000 0.208 139 L C 2.144 178.732 176.870 -0.470 0.000 1.077 139 L CA 2.211 56.849 54.840 -0.336 0.000 0.747 139 L CB -0.850 40.973 42.059 -0.393 0.000 0.896 139 L HN 0.231 nan 8.230 nan 0.000 0.432 140 A N -0.623 122.064 122.820 -0.222 0.000 1.908 140 A HA -0.177 4.137 4.320 -0.010 0.000 0.218 140 A C 2.434 180.094 177.584 0.126 0.000 1.181 140 A CA 1.946 53.937 52.037 -0.077 0.000 0.627 140 A CB -1.146 17.780 19.000 -0.123 0.000 0.818 140 A HN 0.578 nan 8.150 nan 0.000 0.445 141 A N -1.064 121.855 122.820 0.164 0.000 1.873 141 A HA -0.143 4.171 4.320 -0.010 0.000 0.215 141 A C 2.314 179.976 177.584 0.130 0.000 1.186 141 A CA 1.607 53.758 52.037 0.191 0.000 0.616 141 A CB -1.277 17.821 19.000 0.165 0.000 0.823 141 A HN 0.603 nan 8.150 nan 0.000 0.442 142 C N -1.376 118.000 119.300 0.126 0.000 2.429 142 C HA -0.085 4.369 4.460 -0.010 0.000 0.277 142 C C 2.428 177.586 174.990 0.280 0.000 1.262 142 C CA 0.663 59.795 59.018 0.189 0.000 1.733 142 C CB -1.648 26.223 27.740 0.219 0.000 2.010 142 C HN 0.603 nan 8.230 nan 0.000 0.483 143 F N 1.160 121.103 119.950 -0.012 0.000 2.134 143 F HA -0.072 4.449 4.527 -0.010 0.000 0.299 143 F C 2.242 177.984 175.800 -0.096 0.000 1.097 143 F CA 0.999 58.939 58.000 -0.100 0.000 1.264 143 F CB -1.373 37.443 39.000 -0.306 0.000 1.001 143 F HN 0.204 nan 8.300 nan 0.000 0.479 144 L N -0.434 120.863 121.223 0.123 0.000 2.046 144 L HA -0.244 4.090 4.340 -0.010 0.000 0.208 144 L C 2.153 179.033 176.870 0.015 0.000 1.077 144 L CA 1.894 56.757 54.840 0.039 0.000 0.747 144 L CB -0.755 41.321 42.059 0.030 0.000 0.896 144 L HN 0.100 nan 8.230 nan 0.000 0.432 145 D N -0.442 119.979 120.400 0.035 0.000 2.097 145 D HA -0.179 4.456 4.640 -0.010 0.000 0.195 145 D C 2.205 178.522 176.300 0.029 0.000 0.989 145 D CA 1.559 55.567 54.000 0.013 0.000 0.827 145 D CB 0.197 41.005 40.800 0.012 0.000 0.966 145 D HN 0.082 nan 8.370 nan 0.000 0.456 146 S N -0.655 115.079 115.700 0.058 0.000 2.382 146 S HA -0.135 4.329 4.470 -0.010 0.000 0.228 146 S C 2.012 176.626 174.600 0.024 0.000 1.027 146 S CA 0.959 59.185 58.200 0.043 0.000 0.991 146 S CB -0.245 62.986 63.200 0.051 0.000 0.823 146 S HN 0.346 nan 8.310 nan 0.000 0.469 147 M N 1.049 120.656 119.600 0.011 0.000 2.117 147 M HA -0.117 4.357 4.480 -0.010 0.000 0.262 147 M C 2.495 178.798 176.300 0.005 0.000 1.065 147 M CA 1.503 56.806 55.300 0.006 0.000 1.114 147 M CB -0.574 32.010 32.600 -0.027 0.000 1.361 147 M HN 0.401 nan 8.290 nan 0.000 0.408 148 A N -0.206 122.613 122.820 -0.002 0.000 1.898 148 A HA -0.128 4.186 4.320 -0.010 0.000 0.216 148 A C 2.182 179.782 177.584 0.026 0.000 1.181 148 A CA 2.093 54.132 52.037 0.004 0.000 0.620 148 A CB -1.123 17.863 19.000 -0.024 0.000 0.819 148 A HN 0.428 nan 8.150 nan 0.000 0.442 149 T N 0.291 114.865 114.554 0.033 0.000 2.833 149 T HA -0.029 4.316 4.350 -0.010 0.000 0.269 149 T C 1.342 176.073 174.700 0.052 0.000 1.054 149 T CA 1.240 63.373 62.100 0.056 0.000 1.135 149 T CB -0.285 68.623 68.868 0.066 0.000 0.869 149 T HN 0.348 nan 8.240 nan 0.000 0.466 150 L N 0.291 121.541 121.223 0.045 0.000 2.653 150 L HA 0.309 4.643 4.340 -0.010 0.000 0.231 150 L C 1.649 178.552 176.870 0.055 0.000 1.153 150 L CA -0.017 54.851 54.840 0.048 0.000 0.933 150 L CB -0.296 41.791 42.059 0.046 0.000 1.175 150 L HN 0.399 nan 8.230 nan 0.000 0.473 151 G N 1.013 109.849 108.800 0.060 0.000 2.198 151 G HA2 -0.282 3.673 3.960 -0.010 0.000 0.260 151 G HA3 -0.282 3.673 3.960 -0.010 0.000 0.260 151 G C 0.118 175.070 174.900 0.086 0.000 1.025 151 G CA -0.009 45.143 45.100 0.088 0.000 0.769 151 G HN 0.273 nan 8.290 nan 0.000 0.507 152 L N -0.029 121.215 121.223 0.035 0.000 2.350 152 L HA 0.611 4.945 4.340 -0.010 0.000 0.275 152 L C 1.236 178.000 176.870 -0.177 0.000 1.099 152 L CA -0.343 54.472 54.840 -0.042 0.000 0.808 152 L CB 1.527 43.572 42.059 -0.023 0.000 1.149 152 L HN 0.260 nan 8.230 nan 0.000 0.442 153 A N 3.051 125.629 122.820 -0.404 0.000 2.981 153 A HA 0.547 4.861 4.320 -0.010 0.000 0.280 153 A C 0.285 177.533 177.584 -0.560 0.000 1.743 153 A CA -0.118 51.401 52.037 -0.864 0.000 1.430 153 A CB -0.685 17.666 19.000 -1.081 0.000 1.085 153 A HN 0.705 nan 8.150 nan 0.000 0.597 154 A N 1.794 124.327 122.820 -0.478 0.000 2.350 154 A HA 0.801 5.115 4.320 -0.010 0.000 0.324 154 A C -1.035 176.301 177.584 -0.414 0.000 1.118 154 A CA -0.479 51.349 52.037 -0.348 0.000 0.783 154 A CB 0.854 19.715 19.000 -0.232 0.000 1.236 154 A HN 0.639 nan 8.150 nan 0.000 0.457 155 Y N 0.344 120.562 120.300 -0.136 0.000 2.406 155 Y HA 0.544 5.089 4.550 -0.009 0.000 0.340 155 Y C 0.834 176.809 175.900 0.125 0.000 0.975 155 Y CA -0.600 57.493 58.100 -0.012 0.000 1.056 155 Y CB 2.464 40.992 38.460 0.113 0.000 1.210 155 Y HN 0.840 nan 8.280 nan 0.000 0.448 156 G N 2.124 111.003 108.800 0.131 0.000 2.338 156 G HA2 0.466 4.420 3.960 -0.010 0.000 0.298 156 G HA3 0.466 4.420 3.960 -0.010 0.000 0.298 156 G C -1.787 173.138 174.900 0.041 0.000 1.140 156 G CA -0.256 44.951 45.100 0.178 0.000 0.860 156 G HN 0.528 nan 8.290 nan 0.000 0.470 157 Y N 0.855 121.388 120.300 0.388 0.000 2.361 157 Y HA 0.631 5.175 4.550 -0.010 0.000 0.337 157 Y C 0.727 176.936 175.900 0.516 0.000 0.965 157 Y CA 0.156 58.455 58.100 0.330 0.000 1.091 157 Y CB 2.721 41.400 38.460 0.363 0.000 1.182 157 Y HN 0.886 nan 8.280 nan 0.000 0.450 158 G N 2.291 111.420 108.800 0.548 0.000 2.753 158 G HA2 0.608 4.562 3.960 -0.010 0.000 0.303 158 G HA3 0.608 4.562 3.960 -0.010 0.000 0.303 158 G C -1.776 173.362 174.900 0.397 0.000 1.242 158 G CA -0.822 44.616 45.100 0.564 0.000 0.810 158 G HN 0.434 nan 8.290 nan 0.000 0.515 159 I N 0.519 121.220 120.570 0.218 0.000 2.441 159 I HA 0.439 4.603 4.170 -0.010 0.000 0.295 159 I C 0.277 176.307 176.117 -0.144 0.000 0.994 159 I CA -0.732 60.589 61.300 0.034 0.000 1.144 159 I CB 2.235 40.077 38.000 -0.264 0.000 1.314 159 I HN 0.336 nan 8.210 nan 0.000 0.445 160 R N 6.018 126.526 120.500 0.014 0.000 2.419 160 R HA 0.238 4.572 4.340 -0.010 0.000 0.305 160 R C -1.307 175.043 176.300 0.083 0.000 1.242 160 R CA -0.434 55.704 56.100 0.064 0.000 1.105 160 R CB 0.006 30.319 30.300 0.021 0.000 1.116 160 R HN 0.405 nan 8.270 nan 0.000 0.523 161 Y N 1.575 122.038 120.300 0.272 0.000 2.425 161 Y HA -0.066 4.478 4.550 -0.010 0.000 0.331 161 Y C 1.588 177.672 175.900 0.307 0.000 1.157 161 Y CA 0.016 58.267 58.100 0.252 0.000 1.372 161 Y CB 0.893 39.480 38.460 0.212 0.000 1.253 161 Y HN 0.596 nan 8.280 nan 0.000 0.536 162 E N 2.166 122.555 120.200 0.315 0.000 2.152 162 E HA -0.066 4.279 4.350 -0.010 0.000 0.192 162 E C -0.744 175.742 176.600 -0.190 0.000 0.983 162 E CA 0.720 57.113 56.400 -0.013 0.000 0.818 162 E CB 0.168 29.776 29.700 -0.152 0.000 0.758 162 E HN 0.506 nan 8.360 nan 0.000 0.467 163 F N -0.138 120.030 119.950 0.364 0.000 2.460 163 F HA 0.441 4.962 4.527 -0.010 0.000 0.341 163 F C 0.802 176.700 175.800 0.164 0.000 1.130 163 F CA -0.830 57.343 58.000 0.289 0.000 0.962 163 F CB 1.836 40.935 39.000 0.166 0.000 1.171 163 F HN -0.088 nan 8.300 nan 0.000 0.436 164 G N 1.951 110.871 108.800 0.200 0.000 2.546 164 G HA2 0.306 4.260 3.960 -0.010 0.000 0.239 164 G HA3 0.306 4.260 3.960 -0.010 0.000 0.239 164 G C -0.460 174.407 174.900 -0.054 0.000 1.476 164 G CA -0.623 44.439 45.100 -0.063 0.000 1.064 164 G HN 0.532 nan 8.290 nan 0.000 0.561 165 I N 0.917 121.377 120.570 -0.183 0.000 2.710 165 I HA 0.215 4.379 4.170 -0.010 0.000 0.286 165 I C 0.527 176.555 176.117 -0.148 0.000 1.181 165 I CA -1.067 60.094 61.300 -0.232 0.000 1.430 165 I CB -0.222 37.539 38.000 -0.398 0.000 1.367 165 I HN 0.322 nan 8.210 nan 0.000 0.577 166 F N 6.152 126.116 119.950 0.023 0.000 2.589 166 F HA 0.257 4.779 4.527 -0.009 0.000 0.352 166 F C 0.530 176.382 175.800 0.086 0.000 1.168 166 F CA -0.639 57.396 58.000 0.059 0.000 1.353 166 F CB -0.351 38.670 39.000 0.036 0.000 1.116 166 F HN 0.412 nan 8.300 nan 0.000 0.608 167 N N 2.253 121.133 118.700 0.300 0.000 2.497 167 N HA 0.039 4.774 4.740 -0.010 0.000 0.271 167 N C -0.766 174.982 175.510 0.396 0.000 1.142 167 N CA -0.238 52.964 53.050 0.254 0.000 0.965 167 N CB 1.125 39.745 38.487 0.221 0.000 1.077 167 N HN 0.757 nan 8.380 nan 0.000 0.462 168 Q N 2.518 122.524 119.800 0.343 0.000 2.303 168 Q HA 0.172 4.507 4.340 -0.010 0.000 0.257 168 Q C -0.946 175.219 176.000 0.274 0.000 0.941 168 Q CA -0.438 55.596 55.803 0.385 0.000 0.931 168 Q CB 0.683 29.652 28.738 0.385 0.000 1.215 168 Q HN 0.238 nan 8.270 nan 0.000 0.437 169 K N 4.056 124.593 120.400 0.228 0.000 2.203 169 K HA 0.487 4.801 4.320 -0.010 0.000 0.251 169 K C -0.599 176.097 176.600 0.160 0.000 0.944 169 K CA -0.908 55.491 56.287 0.187 0.000 0.829 169 K CB 1.587 34.177 32.500 0.151 0.000 1.125 169 K HN 0.625 nan 8.250 nan 0.000 0.430 170 I N 1.656 122.312 120.570 0.144 0.000 2.339 170 I HA 0.192 4.356 4.170 -0.010 0.000 0.290 170 I C -0.214 175.959 176.117 0.093 0.000 0.994 170 I CA -0.707 60.649 61.300 0.093 0.000 1.191 170 I CB 1.066 39.101 38.000 0.059 0.000 1.343 170 I HN 0.466 nan 8.210 nan 0.000 0.458 171 C N 4.869 124.233 119.300 0.107 0.000 2.346 171 C HA 0.624 5.078 4.460 -0.010 0.000 0.326 171 C C 1.089 176.178 174.990 0.165 0.000 1.224 171 C CA 0.226 59.314 59.018 0.117 0.000 1.408 171 C CB 0.003 27.809 27.740 0.109 0.000 2.089 171 C HN 1.102 nan 8.230 nan 0.000 0.456 172 G N 3.917 112.785 108.800 0.114 0.000 2.249 172 G HA2 0.068 4.022 3.960 -0.010 0.000 0.273 172 G HA3 0.068 4.022 3.960 -0.010 0.000 0.273 172 G C 1.192 176.082 174.900 -0.017 0.000 1.036 172 G CA 1.146 46.315 45.100 0.115 0.000 0.824 172 G HN 2.552 nan 8.290 nan 0.000 0.504 173 G N -2.876 105.863 108.800 -0.101 0.000 2.179 173 G HA2 -0.297 3.657 3.960 -0.010 0.000 0.260 173 G HA3 -0.297 3.657 3.960 -0.010 0.000 0.260 173 G C 0.365 174.998 174.900 -0.446 0.000 0.977 173 G CA 0.719 45.633 45.100 -0.310 0.000 0.641 173 G HN 1.237 nan 8.290 nan 0.000 0.533 174 W N 0.764 122.012 121.300 -0.087 0.000 2.512 174 W HA 0.653 5.307 4.660 -0.009 0.000 0.335 174 W C 0.638 177.103 176.519 -0.090 0.000 1.088 174 W CA -0.935 56.352 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 3.394 123.280 119.800 0.144 0.000 2.289 175 Q HA 0.184 4.519 4.340 -0.010 0.000 0.273 175 Q C -0.513 175.539 176.000 0.086 0.000 1.029 175 Q CA 0.241 56.101 55.803 0.095 0.000 0.896 175 Q CB 0.512 29.295 28.738 0.076 0.000 1.182 175 Q HN 0.335 nan 8.270 nan 0.000 0.385 176 M N 3.122 122.769 119.600 0.077 0.000 2.528 176 M HA 0.393 4.867 4.480 -0.010 0.000 0.321 176 M C -1.027 175.278 176.300 0.009 0.000 1.153 176 M CA -0.691 54.623 55.300 0.025 0.000 0.951 176 M CB 1.796 34.425 32.600 0.048 0.000 1.705 176 M HN 0.598 nan 8.290 nan 0.000 0.451 177 E N 1.193 121.333 120.200 -0.101 0.000 2.179 177 E HA 0.489 4.833 4.350 -0.010 0.000 0.275 177 E C -0.998 175.596 176.600 -0.009 0.000 0.945 177 E CA -0.407 55.901 56.400 -0.153 0.000 0.792 177 E CB 1.819 31.179 29.700 -0.567 0.000 1.125 177 E HN 0.388 nan 8.360 nan 0.000 0.397 178 E N 0.958 121.232 120.200 0.124 0.000 2.266 178 E HA 0.557 4.901 4.350 -0.010 0.000 0.268 178 E C -0.974 175.723 176.600 0.163 0.000 0.879 178 E CA -1.246 55.223 56.400 0.115 0.000 0.762 178 E CB 1.937 31.719 29.700 0.136 0.000 1.199 178 E HN 0.596 nan 8.360 nan 0.000 0.422 179 A N 2.274 125.151 122.820 0.094 0.000 2.567 179 A HA -0.043 4.271 4.320 -0.010 0.000 0.240 179 A C 0.030 177.792 177.584 0.297 0.000 1.053 179 A CA 0.253 52.360 52.037 0.118 0.000 0.755 179 A CB -0.084 18.863 19.000 -0.088 0.000 0.978 179 A HN 0.584 nan 8.150 nan 0.000 0.507 180 D N 1.897 122.539 120.400 0.403 0.000 2.494 180 D HA 0.192 4.827 4.640 -0.010 0.000 0.217 180 D C -0.374 176.249 176.300 0.538 0.000 1.153 180 D CA -0.203 54.035 54.000 0.396 0.000 0.954 180 D CB 0.350 41.318 40.800 0.280 0.000 1.034 180 D HN 0.385 nan 8.370 nan 0.000 0.518 181 D N 3.798 124.474 120.400 0.460 0.000 2.801 181 D HA -0.025 4.609 4.640 -0.010 0.000 0.232 181 D C 1.137 177.556 176.300 0.198 0.000 1.128 181 D CA -0.568 53.608 54.000 0.293 0.000 1.003 181 D CB -0.204 40.778 40.800 0.303 0.000 1.110 181 D HN 0.559 nan 8.370 nan 0.000 0.477 182 W N 1.609 122.933 121.300 0.040 0.000 2.525 182 W HA -0.041 4.613 4.660 -0.010 0.000 0.259 182 W C 0.106 176.675 176.519 0.083 0.000 1.253 182 W CA 0.108 57.504 57.345 0.085 0.000 1.262 182 W CB -0.737 28.778 29.460 0.092 0.000 1.122 182 W HN 0.179 nan 8.180 nan 0.000 0.607 183 L N 0.953 121.834 121.223 -0.570 0.000 2.607 183 L HA 0.183 4.517 4.340 -0.010 0.000 0.228 183 L C 2.760 179.464 176.870 -0.277 0.000 1.123 183 L CA -0.017 54.451 54.840 -0.620 0.000 0.890 183 L CB -0.618 40.950 42.059 -0.818 0.000 1.103 183 L HN -0.109 nan 8.230 nan 0.000 0.468 184 R N 0.569 120.962 120.500 -0.178 0.000 2.113 184 R HA -0.234 4.101 4.340 -0.010 0.000 0.244 184 R C 1.399 177.515 176.300 -0.307 0.000 1.142 184 R CA 2.114 58.064 56.100 -0.249 0.000 0.953 184 R CB -0.199 29.926 30.300 -0.293 0.000 0.860 184 R HN 0.305 nan 8.270 nan 0.000 0.438 185 Y N -0.410 119.903 120.300 0.022 0.000 2.466 185 Y HA 0.318 4.862 4.550 -0.009 0.000 0.272 185 Y C 0.868 176.753 175.900 -0.025 0.000 1.169 185 Y CA 0.487 58.609 58.100 0.037 0.000 1.285 185 Y CB 0.837 39.434 38.460 0.228 0.000 1.078 185 Y HN 0.444 nan 8.280 nan 0.000 0.523 186 G N 1.289 110.126 108.800 0.061 0.000 2.699 186 G HA2 -0.219 3.735 3.960 -0.010 0.000 0.686 186 G HA3 -0.219 3.735 3.960 -0.010 0.000 0.686 186 G C -1.246 173.721 174.900 0.111 0.000 1.301 186 G CA -0.774 44.331 45.100 0.007 0.000 0.816 186 G HN 0.257 nan 8.290 nan 0.000 0.595 187 N N 1.061 119.775 118.700 0.024 0.000 2.531 187 N HA 0.583 5.318 4.740 -0.010 0.000 0.268 187 N C -0.769 174.740 175.510 -0.001 0.000 1.023 187 N CA -1.957 51.125 53.050 0.054 0.000 0.896 187 N CB 2.085 40.538 38.487 -0.057 0.000 1.233 187 N HN 0.247 nan 8.380 nan 0.000 0.512 188 P HA 0.047 nan 4.420 nan 0.000 0.233 188 P C 0.587 177.576 177.300 -0.519 0.000 1.167 188 P CA 0.621 63.419 63.100 -0.503 0.000 0.770 188 P CB 0.087 31.202 31.700 -0.976 0.000 0.837 189 W N 1.937 123.251 121.300 0.022 0.000 2.576 189 W HA 0.050 4.704 4.660 -0.009 0.000 0.270 189 W C 1.242 177.802 176.519 0.069 0.000 1.255 189 W CA -0.326 57.028 57.345 0.015 0.000 1.314 189 W CB -0.236 29.234 29.460 0.018 0.000 1.101 189 W HN 0.016 nan 8.180 nan 0.000 0.595 190 E N 1.620 121.989 120.200 0.281 0.000 2.319 190 E HA 0.349 4.693 4.350 -0.010 0.000 0.268 190 E C -0.669 176.100 176.600 0.281 0.000 1.050 190 E CA -0.828 55.753 56.400 0.301 0.000 0.878 190 E CB 1.374 31.267 29.700 0.322 0.000 1.066 190 E HN -0.316 nan 8.360 nan 0.000 0.406 191 K N 1.547 122.130 120.400 0.304 0.000 2.483 191 K HA 0.419 4.733 4.320 -0.010 0.000 0.256 191 K C -1.133 175.495 176.600 0.048 0.000 0.961 191 K CA -0.484 55.913 56.287 0.184 0.000 0.873 191 K CB 1.517 34.124 32.500 0.178 0.000 1.107 191 K HN 0.664 nan 8.250 nan 0.000 0.432 192 A N 4.271 127.030 122.820 -0.101 0.000 2.511 192 A HA 0.315 4.629 4.320 -0.010 0.000 0.242 192 A C -0.256 177.147 177.584 -0.301 0.000 1.069 192 A CA -0.070 51.654 52.037 -0.523 0.000 0.763 192 A CB 0.207 18.892 19.000 -0.526 0.000 1.001 192 A HN 0.690 nan 8.150 nan 0.000 0.498 193 R N 3.180 123.495 120.500 -0.309 0.000 2.835 193 R HA 0.199 4.533 4.340 -0.010 0.000 0.290 193 R C -2.370 173.835 176.300 -0.157 0.000 1.410 193 R CA -1.573 54.441 56.100 -0.142 0.000 1.590 193 R CB 0.712 31.081 30.300 0.114 0.000 1.288 193 R HN 0.572 nan 8.270 nan 0.000 0.637 194 P HA -0.181 nan 4.420 nan 0.000 0.223 194 P C 0.952 178.167 177.300 -0.141 0.000 1.144 194 P CA 1.083 64.109 63.100 -0.123 0.000 0.783 194 P CB 0.374 32.007 31.700 -0.111 0.000 0.771 195 E N -0.151 119.866 120.200 -0.304 0.000 2.338 195 E HA -0.135 4.209 4.350 -0.010 0.000 0.197 195 E C 0.582 176.931 176.600 -0.418 0.000 1.007 195 E CA 0.873 57.015 56.400 -0.430 0.000 0.849 195 E CB -0.832 28.486 29.700 -0.636 0.000 0.774 195 E HN 0.272 nan 8.360 nan 0.000 0.506 196 F N 1.883 121.850 119.950 0.027 0.000 2.684 196 F HA 0.278 4.799 4.527 -0.010 0.000 0.298 196 F C 0.444 176.338 175.800 0.157 0.000 1.120 196 F CA -0.538 57.510 58.000 0.079 0.000 1.332 196 F CB 0.037 39.081 39.000 0.074 0.000 0.986 196 F HN -0.299 nan 8.300 nan 0.000 0.524 197 T N 2.825 117.515 114.554 0.226 0.000 2.928 197 T HA 0.291 4.635 4.350 -0.010 0.000 0.305 197 T C -0.253 174.545 174.700 0.164 0.000 1.035 197 T CA 0.378 62.607 62.100 0.216 0.000 1.145 197 T CB 0.661 69.605 68.868 0.127 0.000 0.963 197 T HN -0.149 nan 8.240 nan 0.000 0.545 198 L N 5.589 126.878 121.223 0.111 0.000 2.401 198 L HA 0.550 4.884 4.340 -0.010 0.000 0.266 198 L C -2.261 174.565 176.870 -0.074 0.000 0.991 198 L CA -2.600 52.235 54.840 -0.008 0.000 0.818 198 L CB 2.010 43.993 42.059 -0.127 0.000 1.321 198 L HN 0.382 nan 8.230 nan 0.000 0.413 199 P HA 0.371 nan 4.420 nan 0.000 0.284 199 P C -1.155 176.018 177.300 -0.212 0.000 1.253 199 P CA -0.350 62.669 63.100 -0.135 0.000 0.800 199 P CB 1.576 33.197 31.700 -0.133 0.000 0.961 200 V N 3.873 123.642 119.914 -0.242 0.000 2.604 200 V HA 0.333 4.447 4.120 -0.010 0.000 0.305 200 V C 0.157 176.017 176.094 -0.389 0.000 1.043 200 V CA -0.618 61.519 62.300 -0.271 0.000 0.888 200 V CB 1.456 33.161 31.823 -0.196 0.000 0.995 200 V HN 0.597 nan 8.190 nan 0.000 0.429 201 H N 3.756 122.659 119.070 -0.278 0.000 2.472 201 H HA 0.632 5.182 4.556 -0.010 0.000 0.338 201 H C -1.299 173.759 175.328 -0.451 0.000 1.133 201 H CA -0.138 55.680 56.048 -0.384 0.000 1.216 201 H CB 1.914 31.226 29.762 -0.749 0.000 1.497 201 H HN 0.490 nan 8.280 nan 0.000 0.500 202 F N 0.368 120.380 119.950 0.103 0.000 2.613 202 F HA 0.212 4.733 4.527 -0.010 0.000 0.314 202 F C -0.297 175.623 175.800 0.200 0.000 1.075 202 F CA -0.560 57.510 58.000 0.116 0.000 0.945 202 F CB 1.140 40.128 39.000 -0.020 0.000 1.310 202 F HN 0.556 nan 8.300 nan 0.000 0.467 203 Y N 0.158 120.753 120.300 0.490 0.000 2.904 203 Y HA 0.005 4.550 4.550 -0.010 0.000 0.466 203 Y C 1.317 177.459 175.900 0.404 0.000 1.202 203 Y CA 0.635 58.943 58.100 0.346 0.000 2.492 203 Y CB -1.896 36.698 38.460 0.223 0.000 1.237 203 Y HN 1.300 nan 8.280 nan 0.000 0.633 204 G N 0.645 109.714 108.800 0.448 0.000 2.593 204 G HA2 0.117 4.072 3.960 -0.010 0.000 0.237 204 G HA3 0.117 4.072 3.960 -0.010 0.000 0.237 204 G C -0.593 174.517 174.900 0.351 0.000 1.312 204 G CA 0.947 46.234 45.100 0.311 0.000 0.896 204 G HN 1.400 nan 8.290 nan 0.000 0.574 205 R N -2.542 118.164 120.500 0.342 0.000 2.716 205 R HA 0.689 5.023 4.340 -0.010 0.000 0.271 205 R C -1.343 175.100 176.300 0.238 0.000 1.028 205 R CA -0.985 55.261 56.100 0.244 0.000 0.883 205 R CB 1.266 31.655 30.300 0.148 0.000 1.250 205 R HN 0.896 nan 8.270 nan 0.000 0.465 206 V N 0.900 120.871 119.914 0.095 0.000 2.427 206 V HA 0.359 4.473 4.120 -0.010 0.000 0.286 206 V C -0.139 175.901 176.094 -0.090 0.000 1.034 206 V CA -0.470 61.814 62.300 -0.028 0.000 0.893 206 V CB 1.303 33.038 31.823 -0.147 0.000 0.982 206 V HN 0.723 nan 8.190 nan 0.000 0.452 207 E N 2.753 122.872 120.200 -0.136 0.000 2.171 207 E HA 0.406 4.751 4.350 -0.010 0.000 0.271 207 E C -1.050 175.406 176.600 -0.241 0.000 0.916 207 E CA -0.721 55.614 56.400 -0.107 0.000 0.774 207 E CB 0.971 30.658 29.700 -0.022 0.000 1.128 207 E HN 0.715 nan 8.360 nan 0.000 0.403 208 H N 2.405 121.490 119.070 0.024 0.000 2.552 208 H HA 0.199 4.749 4.556 -0.010 0.000 0.311 208 H C 0.221 175.558 175.328 0.014 0.000 1.071 208 H CA -0.243 55.814 56.048 0.015 0.000 1.307 208 H CB 1.325 31.091 29.762 0.007 0.000 1.416 208 H HN 0.572 nan 8.280 nan 0.000 0.464 209 T N -0.732 113.882 114.554 0.100 0.000 2.889 209 T HA 0.185 4.530 4.350 -0.010 0.000 0.278 209 T C 1.408 176.146 174.700 0.063 0.000 0.995 209 T CA -0.567 61.572 62.100 0.065 0.000 0.966 209 T CB 1.008 69.898 68.868 0.036 0.000 1.237 209 T HN 0.391 nan 8.240 nan 0.000 0.591 210 S N -0.087 115.638 115.700 0.043 0.000 2.383 210 S HA -0.097 4.367 4.470 -0.010 0.000 0.229 210 S C 1.350 175.970 174.600 0.035 0.000 1.030 210 S CA 0.966 59.186 58.200 0.034 0.000 1.002 210 S CB -0.502 62.714 63.200 0.025 0.000 0.829 210 S HN 0.734 nan 8.310 nan 0.000 0.467 211 Q N 1.075 120.895 119.800 0.034 0.000 2.735 211 Q HA 0.500 4.834 4.340 -0.010 0.000 0.380 211 Q C 0.417 176.438 176.000 0.035 0.000 1.060 211 Q CA 0.212 56.034 55.803 0.031 0.000 1.025 211 Q CB -0.198 28.554 28.738 0.024 0.000 1.350 211 Q HN 0.533 nan 8.270 nan 0.000 0.424 212 G N -0.030 108.802 108.800 0.053 0.000 2.728 212 G HA2 -0.012 3.942 3.960 -0.010 0.000 0.294 212 G HA3 -0.012 3.942 3.960 -0.010 0.000 0.294 212 G C -0.569 174.365 174.900 0.057 0.000 1.342 212 G CA -0.672 44.467 45.100 0.066 0.000 0.866 212 G HN 0.659 nan 8.290 nan 0.000 0.534 213 A N 0.045 122.885 122.820 0.033 0.000 2.351 213 A HA 0.713 5.027 4.320 -0.010 0.000 0.257 213 A C 0.385 177.921 177.584 -0.080 0.000 1.087 213 A CA 0.297 52.270 52.037 -0.107 0.000 0.798 213 A CB 0.621 19.526 19.000 -0.159 0.000 1.033 213 A HN 0.755 nan 8.150 nan 0.000 0.488 214 K N 0.740 121.078 120.400 -0.102 0.000 2.482 214 K HA 0.189 4.503 4.320 -0.010 0.000 0.251 214 K C -1.877 174.755 176.600 0.053 0.000 0.936 214 K CA -0.236 56.041 56.287 -0.017 0.000 0.791 214 K CB 2.088 34.581 32.500 -0.013 0.000 1.213 214 K HN 0.761 nan 8.250 nan 0.000 0.428 215 W N 5.152 126.372 121.300 -0.133 0.000 2.308 215 W HA 0.385 5.039 4.660 -0.010 0.000 0.311 215 W C -0.544 175.919 176.519 -0.093 0.000 1.088 215 W CA -0.880 56.394 57.345 -0.118 0.000 1.309 215 W CB 0.163 29.541 29.460 -0.138 0.000 1.229 215 W HN 0.310 nan 8.180 nan 0.000 0.427 216 V N 2.747 122.715 119.914 0.090 0.000 3.126 216 V HA 0.617 4.731 4.120 -0.010 0.000 0.314 216 V C -0.203 175.871 176.094 -0.033 0.000 1.138 216 V CA -0.952 61.328 62.300 -0.035 0.000 1.034 216 V CB 2.009 33.839 31.823 0.011 0.000 1.075 216 V HN 0.461 nan 8.190 nan 0.000 0.442 217 D N 0.221 120.603 120.400 -0.030 0.000 2.800 217 D HA -0.136 4.499 4.640 -0.010 0.000 0.232 217 D C 0.537 176.842 176.300 0.009 0.000 1.137 217 D CA 1.528 55.532 54.000 0.006 0.000 0.718 217 D CB -1.593 39.233 40.800 0.043 0.000 1.084 217 D HN 1.320 nan 8.370 nan 0.000 0.432 218 T N -2.725 111.791 114.554 -0.064 0.000 2.874 218 T HA 0.494 4.839 4.350 -0.010 0.000 0.281 218 T C 0.490 175.241 174.700 0.085 0.000 0.994 218 T CA -0.742 61.332 62.100 -0.044 0.000 1.015 218 T CB 1.916 70.612 68.868 -0.287 0.000 1.028 218 T HN 0.034 nan 8.240 nan 0.000 0.523 219 Q N 0.547 120.465 119.800 0.196 0.000 2.235 219 Q HA 0.572 4.906 4.340 -0.010 0.000 0.250 219 Q C -0.924 175.191 176.000 0.192 0.000 0.909 219 Q CA -0.899 55.043 55.803 0.232 0.000 0.910 219 Q CB 1.825 30.777 28.738 0.356 0.000 1.223 219 Q HN 0.507 nan 8.270 nan 0.000 0.432 220 V N 2.894 122.886 119.914 0.129 0.000 2.435 220 V HA 0.403 4.517 4.120 -0.010 0.000 0.290 220 V C -0.319 175.846 176.094 0.118 0.000 1.030 220 V CA -0.681 61.609 62.300 -0.015 0.000 0.881 220 V CB 1.693 33.449 31.823 -0.112 0.000 0.983 220 V HN 0.492 nan 8.190 nan 0.000 0.445 221 V N 5.887 125.880 119.914 0.133 0.000 2.555 221 V HA 0.485 4.600 4.120 -0.010 0.000 0.302 221 V C -0.110 176.066 176.094 0.137 0.000 1.038 221 V CA -0.650 61.745 62.300 0.159 0.000 0.887 221 V CB 1.914 33.915 31.823 0.297 0.000 0.991 221 V HN 0.641 nan 8.190 nan 0.000 0.434 222 L N 3.533 124.828 121.223 0.119 0.000 2.350 222 L HA 0.711 5.045 4.340 -0.010 0.000 0.275 222 L C 0.479 177.517 176.870 0.279 0.000 1.099 222 L CA -0.298 54.621 54.840 0.132 0.000 0.808 222 L CB 1.227 43.343 42.059 0.096 0.000 1.149 222 L HN 0.755 nan 8.230 nan 0.000 0.442 223 A N 5.085 128.020 122.820 0.192 0.000 2.267 223 A HA 0.578 4.892 4.320 -0.010 0.000 0.315 223 A C -0.461 177.384 177.584 0.435 0.000 1.297 223 A CA -0.476 51.708 52.037 0.245 0.000 0.865 223 A CB 0.876 19.595 19.000 -0.469 0.000 1.165 223 A HN 0.788 nan 8.150 nan 0.000 0.513 224 M N 5.938 125.852 119.600 0.523 0.000 2.129 224 M HA 0.480 4.955 4.480 -0.010 0.000 0.348 224 M C -2.628 173.939 176.300 0.445 0.000 1.116 224 M CA -2.106 53.447 55.300 0.422 0.000 1.022 224 M CB 1.983 34.751 32.600 0.281 0.000 1.599 224 M HN 0.332 nan 8.290 nan 0.000 0.449 225 P HA 0.267 nan 4.420 nan 0.000 0.284 225 P C -1.945 175.301 177.300 -0.090 0.000 1.253 225 P CA -0.013 63.011 63.100 -0.125 0.000 0.800 225 P CB 0.505 31.956 31.700 -0.415 0.000 0.961 226 Y N 0.527 120.774 120.300 -0.089 0.000 2.350 226 Y HA 0.343 4.887 4.550 -0.010 0.000 0.338 226 Y C 0.218 176.110 175.900 -0.014 0.000 0.961 226 Y CA -0.313 57.786 58.100 -0.001 0.000 1.100 226 Y CB 1.285 39.775 38.460 0.050 0.000 1.179 226 Y HN 0.215 nan 8.280 nan 0.000 0.454 227 D N 1.880 122.389 120.400 0.181 0.000 2.193 227 D HA 0.407 5.042 4.640 -0.010 0.000 0.244 227 D C -0.609 175.915 176.300 0.373 0.000 1.064 227 D CA -0.243 53.899 54.000 0.237 0.000 0.845 227 D CB 1.750 42.711 40.800 0.268 0.000 1.148 227 D HN 0.375 nan 8.370 nan 0.000 0.464 228 T N 3.207 117.892 114.554 0.219 0.000 2.824 228 T HA 0.473 4.817 4.350 -0.010 0.000 0.282 228 T C -2.512 172.049 174.700 -0.232 0.000 0.993 228 T CA -1.472 60.661 62.100 0.055 0.000 0.967 228 T CB 2.028 70.920 68.868 0.041 0.000 0.960 228 T HN 0.169 nan 8.240 nan 0.000 0.441 229 P HA 0.327 nan 4.420 nan 0.000 0.275 229 P C -1.019 175.959 177.300 -0.536 0.000 1.227 229 P CA -0.412 62.039 63.100 -1.083 0.000 0.781 229 P CB 0.832 31.646 31.700 -1.477 0.000 0.906 230 V N 4.898 124.555 119.914 -0.429 0.000 2.305 230 V HA 0.265 4.379 4.120 -0.010 0.000 0.275 230 V C -2.138 173.824 176.094 -0.220 0.000 1.020 230 V CA -1.911 60.228 62.300 -0.268 0.000 0.811 230 V CB 1.345 33.056 31.823 -0.187 0.000 1.031 230 V HN 0.539 nan 8.190 nan 0.000 0.439 231 P HA 0.283 nan 4.420 nan 0.000 0.280 231 P C 0.373 177.624 177.300 -0.081 0.000 1.244 231 P CA 0.284 63.297 63.100 -0.144 0.000 0.784 231 P CB 1.496 33.109 31.700 -0.146 0.000 0.913 232 G N 2.128 110.899 108.800 -0.048 0.000 2.599 232 G HA2 0.143 4.097 3.960 -0.010 0.000 0.264 232 G HA3 0.143 4.097 3.960 -0.010 0.000 0.264 232 G C -1.161 173.756 174.900 0.028 0.000 1.200 232 G CA -0.579 44.522 45.100 0.002 0.000 0.896 232 G HN 0.506 nan 8.290 nan 0.000 0.536 233 Y N 1.272 121.537 120.300 -0.058 0.000 2.624 233 Y HA 0.211 4.755 4.550 -0.010 0.000 0.354 233 Y C 1.396 177.262 175.900 -0.056 0.000 1.051 233 Y CA -0.136 57.926 58.100 -0.064 0.000 1.377 233 Y CB -0.096 38.324 38.460 -0.066 0.000 1.168 233 Y HN 0.721 nan 8.280 nan 0.000 0.525 234 R N 3.031 123.269 120.500 -0.438 0.000 3.627 234 R HA -0.328 4.006 4.340 -0.010 0.000 0.281 234 R C 0.038 176.215 176.300 -0.205 0.000 1.140 234 R CA 1.324 57.180 56.100 -0.406 0.000 0.761 234 R CB -2.325 27.576 30.300 -0.665 0.000 1.181 234 R HN 0.949 nan 8.270 nan 0.000 0.472 235 N N -0.611 118.016 118.700 -0.121 0.000 2.171 235 N HA 0.036 4.771 4.740 -0.010 0.000 0.212 235 N C -0.035 175.437 175.510 -0.063 0.000 1.184 235 N CA -0.453 52.556 53.050 -0.069 0.000 0.888 235 N CB 0.466 38.938 38.487 -0.026 0.000 1.038 235 N HN 0.085 nan 8.380 nan 0.000 0.517 236 N N -0.214 118.443 118.700 -0.071 0.000 2.778 236 N HA -0.136 4.598 4.740 -0.010 0.000 0.249 236 N C -0.891 174.587 175.510 -0.053 0.000 1.069 236 N CA 0.618 53.633 53.050 -0.058 0.000 0.831 236 N CB -1.319 37.134 38.487 -0.058 0.000 1.142 236 N HN 0.189 nan 8.380 nan 0.000 0.573 237 V N 1.222 121.110 119.914 -0.044 0.000 2.498 237 V HA 0.394 4.508 4.120 -0.010 0.000 0.279 237 V C 0.646 176.717 176.094 -0.037 0.000 1.048 237 V CA -0.413 61.870 62.300 -0.029 0.000 0.967 237 V CB 2.040 33.872 31.823 0.015 0.000 0.988 237 V HN -0.025 nan 8.190 nan 0.000 0.473 238 V N 5.398 125.294 119.914 -0.030 0.000 2.419 238 V HA 0.430 4.544 4.120 -0.010 0.000 0.287 238 V C -0.100 175.990 176.094 -0.006 0.000 1.017 238 V CA -0.870 61.383 62.300 -0.079 0.000 0.844 238 V CB 1.441 33.186 31.823 -0.131 0.000 1.011 238 V HN 0.842 nan 8.190 nan 0.000 0.429 239 N N 1.961 120.629 118.700 -0.053 0.000 2.405 239 N HA 0.563 5.297 4.740 -0.010 0.000 0.269 239 N C -0.040 175.451 175.510 -0.031 0.000 1.249 239 N CA -0.290 52.747 53.050 -0.021 0.000 0.974 239 N CB 1.157 39.592 38.487 -0.086 0.000 1.204 239 N HN 0.578 nan 8.380 nan 0.000 0.565 240 T N 0.762 115.305 114.554 -0.019 0.000 2.824 240 T HA 0.395 4.739 4.350 -0.010 0.000 0.282 240 T C -0.267 174.393 174.700 -0.066 0.000 0.993 240 T CA -0.513 61.643 62.100 0.094 0.000 0.967 240 T CB 1.041 70.068 68.868 0.265 0.000 0.960 240 T HN 0.301 nan 8.240 nan 0.000 0.441 241 M N 3.881 123.410 119.600 -0.117 0.000 2.101 241 M HA 0.505 4.980 4.480 -0.010 0.000 0.340 241 M C -0.504 175.652 176.300 -0.240 0.000 1.057 241 M CA -0.738 54.406 55.300 -0.259 0.000 0.984 241 M CB 0.713 33.098 32.600 -0.358 0.000 1.560 241 M HN 0.485 nan 8.290 nan 0.000 0.435 242 R N 6.008 126.260 120.500 -0.414 0.000 2.265 242 R HA 0.621 4.955 4.340 -0.010 0.000 0.328 242 R C -1.940 174.087 176.300 -0.456 0.000 0.969 242 R CA -0.433 55.381 56.100 -0.477 0.000 0.832 242 R CB 0.874 30.715 30.300 -0.765 0.000 1.139 242 R HN 0.820 nan 8.270 nan 0.000 0.457 243 L N 5.042 126.100 121.223 -0.274 0.000 2.322 243 L HA 0.505 4.839 4.340 -0.010 0.000 0.281 243 L C -0.814 176.015 176.870 -0.068 0.000 1.014 243 L CA -0.924 53.848 54.840 -0.114 0.000 0.815 243 L CB 1.488 43.570 42.059 0.038 0.000 1.247 243 L HN 0.580 nan 8.230 nan 0.000 0.421 244 W N 1.781 123.209 121.300 0.214 0.000 2.376 244 W HA 0.492 5.146 4.660 -0.009 0.000 0.322 244 W C 0.536 177.282 176.519 0.379 0.000 1.160 244 W CA -0.199 57.290 57.345 0.240 0.000 1.218 244 W CB 1.509 30.963 29.460 -0.009 0.000 1.205 244 W HN 0.341 nan 8.180 nan 0.000 0.559 245 S N 1.744 117.852 115.700 0.681 0.000 2.500 245 S HA 0.768 5.233 4.470 -0.010 0.000 0.301 245 S C -0.504 174.435 174.600 0.564 0.000 1.092 245 S CA -0.719 57.785 58.200 0.507 0.000 1.030 245 S CB 0.655 64.099 63.200 0.407 0.000 1.031 245 S HN 0.529 nan 8.310 nan 0.000 0.483 246 A N 4.814 127.808 122.820 0.291 0.000 2.366 246 A HA 0.647 4.961 4.320 -0.010 0.000 0.272 246 A C -0.120 177.523 177.584 0.098 0.000 1.135 246 A CA -0.264 51.837 52.037 0.108 0.000 0.804 246 A CB 0.352 19.143 19.000 -0.349 0.000 1.064 246 A HN 0.668 nan 8.150 nan 0.000 0.499 247 K N 1.160 121.625 120.400 0.109 0.000 2.427 247 K HA 0.597 4.912 4.320 -0.010 0.000 0.252 247 K C -0.454 176.114 176.600 -0.053 0.000 0.931 247 K CA -0.444 55.865 56.287 0.037 0.000 0.793 247 K CB 2.278 34.832 32.500 0.091 0.000 1.211 247 K HN 0.841 nan 8.250 nan 0.000 0.426 248 A N 4.178 126.897 122.820 -0.169 0.000 2.388 248 A HA 0.436 4.750 4.320 -0.010 0.000 0.257 248 A C -2.112 175.407 177.584 -0.108 0.000 1.095 248 A CA -0.980 50.855 52.037 -0.337 0.000 0.791 248 A CB -0.317 18.289 19.000 -0.656 0.000 1.029 248 A HN 0.344 nan 8.150 nan 0.000 0.489 249 P HA 0.122 nan 4.420 nan 0.000 0.272 249 P C 0.042 177.419 177.300 0.129 0.000 1.230 249 P CA -0.387 62.763 63.100 0.083 0.000 0.788 249 P CB 0.589 32.364 31.700 0.125 0.000 0.949 250 N N 0.865 119.626 118.700 0.102 0.000 2.396 250 N HA -0.112 4.622 4.740 -0.010 0.000 0.180 250 N C 0.738 176.323 175.510 0.124 0.000 1.028 250 N CA 1.055 54.167 53.050 0.103 0.000 0.893 250 N CB -0.502 38.029 38.487 0.073 0.000 0.967 250 N HN 0.546 nan 8.380 nan 0.000 0.440 251 D N -0.805 119.669 120.400 0.124 0.000 2.319 251 D HA -0.070 4.564 4.640 -0.010 0.000 0.230 251 D C 0.083 176.457 176.300 0.123 0.000 1.094 251 D CA -0.516 53.547 54.000 0.105 0.000 0.856 251 D CB -1.015 39.829 40.800 0.073 0.000 0.915 251 D HN 0.048 nan 8.370 nan 0.000 0.517 252 F N 1.904 121.866 119.950 0.021 0.000 2.602 252 F HA 0.062 4.583 4.527 -0.009 0.000 0.385 252 F C 0.820 176.623 175.800 0.006 0.000 1.063 252 F CA 0.216 58.225 58.000 0.015 0.000 1.233 252 F CB 0.096 39.105 39.000 0.014 0.000 1.067 252 F HN -0.138 nan 8.300 nan 0.000 0.564 253 N N 2.075 120.382 118.700 -0.656 0.000 2.809 253 N HA -0.294 4.441 4.740 -0.010 0.000 0.244 253 N C -0.612 174.796 175.510 -0.170 0.000 1.018 253 N CA 1.646 54.425 53.050 -0.453 0.000 0.917 253 N CB -1.192 37.034 38.487 -0.435 0.000 1.130 253 N HN 0.535 nan 8.380 nan 0.000 0.591 262 Y N 1.965 122.266 120.300 0.002 0.000 2.114 262 Y HA 0.003 4.548 4.550 -0.010 0.000 0.284 262 Y C 2.696 178.605 175.900 0.015 0.000 1.143 262 Y CA 2.199 60.303 58.100 0.008 0.000 1.135 262 Y CB -0.139 38.326 38.460 0.009 0.000 0.980 262 Y HN 0.190 nan 8.280 nan 0.000 0.499 263 I N 0.432 120.951 120.570 -0.086 0.000 2.163 263 I HA -0.307 3.858 4.170 -0.010 0.000 0.243 263 I C 2.356 178.380 176.117 -0.155 0.000 1.085 263 I CA 1.483 62.681 61.300 -0.169 0.000 1.347 263 I CB -1.353 36.649 38.000 0.003 0.000 1.044 263 I HN 0.371 nan 8.210 nan 0.000 0.408 264 Q N 0.590 120.344 119.800 -0.076 0.000 2.096 264 Q HA -0.144 4.190 4.340 -0.010 0.000 0.204 264 Q C 2.389 178.351 176.000 -0.064 0.000 0.982 264 Q CA 1.960 57.732 55.803 -0.052 0.000 0.850 264 Q CB -0.458 28.265 28.738 -0.026 0.000 0.901 264 Q HN 0.557 nan 8.270 nan 0.000 0.422 265 A N -0.079 122.684 122.820 -0.095 0.000 1.902 265 A HA -0.136 4.178 4.320 -0.010 0.000 0.217 265 A C 2.414 179.964 177.584 -0.057 0.000 1.181 265 A CA 1.657 53.644 52.037 -0.083 0.000 0.623 265 A CB -0.621 18.325 19.000 -0.090 0.000 0.818 265 A HN 0.228 nan 8.150 nan 0.000 0.443 266 V N 0.168 119.976 119.914 -0.178 0.000 2.358 266 V HA -0.232 3.882 4.120 -0.010 0.000 0.246 266 V C 2.516 178.586 176.094 -0.041 0.000 1.047 266 V CA 1.858 64.076 62.300 -0.137 0.000 1.035 266 V CB -0.776 30.871 31.823 -0.292 0.000 0.658 266 V HN 0.571 nan 8.190 nan 0.000 0.452 267 L N -0.194 120.999 121.223 -0.050 0.000 2.141 267 L HA -0.143 4.191 4.340 -0.010 0.000 0.209 267 L C 1.999 178.889 176.870 0.034 0.000 1.094 267 L CA 1.199 56.034 54.840 -0.009 0.000 0.763 267 L CB -0.681 41.369 42.059 -0.016 0.000 0.908 267 L HN 0.323 nan 8.230 nan 0.000 0.437 268 D N 0.042 120.482 120.400 0.067 0.000 2.371 268 D HA -0.073 4.561 4.640 -0.010 0.000 0.221 268 D C 2.125 178.595 176.300 0.284 0.000 0.986 268 D CA 0.436 54.521 54.000 0.142 0.000 0.899 268 D CB -0.001 40.869 40.800 0.117 0.000 0.902 268 D HN 0.221 nan 8.370 nan 0.000 0.530 269 R N 1.007 121.634 120.500 0.212 0.000 2.159 269 R HA -0.127 4.207 4.340 -0.010 0.000 0.237 269 R C 1.911 178.155 176.300 -0.093 0.000 1.131 269 R CA 1.072 57.178 56.100 0.011 0.000 0.982 269 R CB -0.308 29.979 30.300 -0.021 0.000 0.868 269 R HN 0.297 nan 8.270 nan 0.000 0.453 270 N N 1.317 120.014 118.700 -0.004 0.000 2.137 270 N HA -0.210 4.524 4.740 -0.010 0.000 0.190 270 N C 1.489 176.991 175.510 -0.013 0.000 1.017 270 N CA 1.447 54.493 53.050 -0.007 0.000 0.859 270 N CB -0.309 38.189 38.487 0.018 0.000 1.002 270 N HN 0.105 nan 8.380 nan 0.000 0.428 271 L N 1.155 122.394 121.223 0.026 0.000 2.012 271 L HA -0.040 4.294 4.340 -0.010 0.000 0.210 271 L C 2.858 179.714 176.870 -0.024 0.000 1.073 271 L CA 1.731 56.595 54.840 0.041 0.000 0.748 271 L CB -1.471 40.668 42.059 0.132 0.000 0.891 271 L HN 0.386 nan 8.230 nan 0.000 0.431 272 A N -0.982 121.761 122.820 -0.128 0.000 1.930 272 A HA -0.160 4.154 4.320 -0.010 0.000 0.217 272 A C 2.129 179.604 177.584 -0.181 0.000 1.175 272 A CA 1.336 53.248 52.037 -0.208 0.000 0.627 272 A CB -0.408 18.305 19.000 -0.478 0.000 0.815 272 A HN 0.534 nan 8.150 nan 0.000 0.443 273 E N 0.020 120.128 120.200 -0.153 0.000 2.427 273 E HA -0.077 4.267 4.350 -0.010 0.000 0.196 273 E C 1.048 177.615 176.600 -0.055 0.000 1.028 273 E CA 0.233 56.573 56.400 -0.099 0.000 0.864 273 E CB -0.161 29.501 29.700 -0.065 0.000 0.813 273 E HN 0.453 nan 8.360 nan 0.000 0.514 274 N N 1.171 119.846 118.700 -0.041 0.000 2.348 274 N HA -0.129 4.605 4.740 -0.010 0.000 0.185 274 N C 1.602 177.109 175.510 -0.004 0.000 1.019 274 N CA 0.714 53.765 53.050 0.002 0.000 0.880 274 N CB -0.097 38.396 38.487 0.009 0.000 0.965 274 N HN 0.262 nan 8.380 nan 0.000 0.437 275 I N 0.269 120.778 120.570 -0.102 0.000 2.208 275 I HA -0.245 3.919 4.170 -0.010 0.000 0.245 275 I C 1.494 177.579 176.117 -0.054 0.000 1.097 275 I CA 1.259 62.466 61.300 -0.154 0.000 1.363 275 I CB -0.185 37.552 38.000 -0.438 0.000 1.051 275 I HN 0.134 nan 8.210 nan 0.000 0.413 276 S N -0.449 115.215 115.700 -0.060 0.000 2.583 276 S HA 0.168 4.632 4.470 -0.010 0.000 0.239 276 S C 1.505 176.243 174.600 0.230 0.000 0.966 276 S CA -0.486 57.768 58.200 0.089 0.000 0.973 276 S CB 0.169 63.410 63.200 0.068 0.000 0.794 276 S HN 0.215 nan 8.310 nan 0.000 0.463 277 R N 1.141 121.780 120.500 0.231 0.000 2.075 277 R HA 0.300 4.634 4.340 -0.010 0.000 0.226 277 R C 0.332 176.887 176.300 0.426 0.000 1.114 277 R CA 1.007 57.283 56.100 0.294 0.000 0.972 277 R CB -0.160 30.276 30.300 0.226 0.000 0.869 277 R HN 0.388 nan 8.270 nan 0.000 0.437 278 V N 0.440 120.569 119.914 0.358 0.000 2.932 278 V HA 0.349 4.463 4.120 -0.010 0.000 0.307 278 V C -1.631 174.439 176.094 -0.041 0.000 1.147 278 V CA -1.376 61.053 62.300 0.215 0.000 0.951 278 V CB 1.780 33.651 31.823 0.080 0.000 1.031 278 V HN 0.138 nan 8.190 nan 0.000 0.426 279 L N 6.924 127.888 121.223 -0.432 0.000 2.410 279 L HA 0.455 4.789 4.340 -0.010 0.000 0.273 279 L C -0.794 175.921 176.870 -0.258 0.000 1.144 279 L CA 0.458 54.845 54.840 -0.755 0.000 0.863 279 L CB 0.375 41.936 42.059 -0.829 0.000 1.140 279 L HN 0.675 nan 8.230 nan 0.000 0.463 280 Y N 7.103 127.313 120.300 -0.150 0.000 2.569 280 Y HA 0.174 4.719 4.550 -0.010 0.000 0.332 280 Y C -1.344 174.551 175.900 -0.009 0.000 1.120 280 Y CA -1.136 56.949 58.100 -0.025 0.000 1.416 280 Y CB 0.298 38.768 38.460 0.016 0.000 1.210 280 Y HN 0.574 nan 8.280 nan 0.000 0.528 281 P HA 0.032 nan 4.420 nan 0.000 0.249 281 P C -0.913 176.521 177.300 0.223 0.000 1.544 281 P CA 0.078 63.285 63.100 0.177 0.000 0.932 281 P CB 0.114 32.007 31.700 0.321 0.000 1.524 282 N N 1.331 120.173 118.700 0.236 0.000 2.434 282 N HA 0.147 4.881 4.740 -0.010 0.000 0.272 282 N C -0.622 175.050 175.510 0.270 0.000 1.040 282 N CA 0.072 53.289 53.050 0.279 0.000 0.956 282 N CB 1.109 39.804 38.487 0.347 0.000 1.108 282 N HN 0.069 nan 8.380 nan 0.000 0.481 283 D N 1.115 121.714 120.400 0.332 0.000 2.280 283 D HA 0.190 4.825 4.640 -0.010 0.000 0.236 283 D C -0.167 176.415 176.300 0.470 0.000 1.082 283 D CA -0.278 53.946 54.000 0.373 0.000 0.834 283 D CB 0.259 41.341 40.800 0.471 0.000 1.100 283 D HN 0.322 nan 8.370 nan 0.000 0.486 284 N N 2.920 121.805 118.700 0.309 0.000 2.738 284 N HA -0.247 4.488 4.740 -0.010 0.000 0.249 284 N C -1.352 174.384 175.510 0.377 0.000 1.047 284 N CA 0.671 53.873 53.050 0.254 0.000 0.707 284 N CB -0.829 37.719 38.487 0.102 0.000 0.937 284 N HN 0.377 nan 8.380 nan 0.000 0.545 285 F N 0.484 120.535 119.950 0.168 0.000 2.654 285 F HA 0.451 4.972 4.527 -0.010 0.000 0.314 285 F C -1.577 174.306 175.800 0.138 0.000 1.116 285 F CA -1.123 56.953 58.000 0.127 0.000 1.017 285 F CB 0.963 40.010 39.000 0.078 0.000 1.285 285 F HN -0.032 nan 8.300 nan 0.000 0.448 286 F N 5.701 125.130 119.950 -0.869 0.000 2.404 286 F HA 0.518 5.039 4.527 -0.010 0.000 0.354 286 F C -0.624 174.671 175.800 -0.842 0.000 1.122 286 F CA -0.184 57.404 58.000 -0.686 0.000 1.080 286 F CB 0.871 39.551 39.000 -0.533 0.000 1.131 286 F HN 0.585 nan 8.300 nan 0.000 0.471 287 E N 4.023 123.551 120.200 -1.120 0.000 2.155 287 E HA 0.320 4.664 4.350 -0.010 0.000 0.264 287 E C -0.091 175.765 176.600 -1.239 0.000 0.886 287 E CA -0.771 55.075 56.400 -0.923 0.000 0.752 287 E CB 1.438 30.974 29.700 -0.273 0.000 1.133 287 E HN 0.927 nan 8.360 nan 0.000 0.414 288 G N 5.153 113.209 108.800 -1.240 0.000 3.401 288 G HA2 0.030 3.984 3.960 -0.010 0.000 0.251 288 G HA3 0.030 3.984 3.960 -0.010 0.000 0.251 288 G C -0.049 174.800 174.900 -0.085 0.000 0.960 288 G CA -0.219 44.364 45.100 -0.862 0.000 1.900 288 G HN 0.187 nan 8.290 nan 0.000 0.645 289 K N 0.470 120.866 120.400 -0.007 0.000 2.143 289 K HA 0.184 4.498 4.320 -0.010 0.000 0.272 289 K C 0.993 177.721 176.600 0.214 0.000 1.001 289 K CA -0.649 55.711 56.287 0.122 0.000 0.915 289 K CB 2.177 34.745 32.500 0.115 0.000 1.047 289 K HN 0.409 nan 8.250 nan 0.000 0.458 290 E N 1.730 122.023 120.200 0.156 0.000 2.085 290 E HA -0.225 4.120 4.350 -0.010 0.000 0.194 290 E C 1.500 178.120 176.600 0.033 0.000 0.994 290 E CA 1.109 57.552 56.400 0.072 0.000 0.801 290 E CB 0.158 29.903 29.700 0.075 0.000 0.743 290 E HN 0.401 nan 8.360 nan 0.000 0.453 291 L N 1.315 122.600 121.223 0.104 0.000 2.079 291 L HA -0.177 4.158 4.340 -0.010 0.000 0.210 291 L C 2.462 179.410 176.870 0.130 0.000 1.081 291 L CA 1.809 56.727 54.840 0.130 0.000 0.752 291 L CB -0.543 41.663 42.059 0.244 0.000 0.896 291 L HN 0.014 nan 8.230 nan 0.000 0.433 292 R N -0.579 119.940 120.500 0.033 0.000 2.081 292 R HA -0.166 4.168 4.340 -0.010 0.000 0.235 292 R C 2.107 178.433 176.300 0.044 0.000 1.131 292 R CA 1.878 57.921 56.100 -0.094 0.000 0.960 292 R CB -1.049 28.999 30.300 -0.420 0.000 0.856 292 R HN 0.415 nan 8.270 nan 0.000 0.436 293 L N 0.886 122.052 121.223 -0.096 0.000 2.046 293 L HA -0.077 4.258 4.340 -0.010 0.000 0.208 293 L C 1.691 178.496 176.870 -0.109 0.000 1.077 293 L CA 1.915 56.504 54.840 -0.419 0.000 0.747 293 L CB -0.434 41.088 42.059 -0.896 0.000 0.896 293 L HN 0.157 nan 8.230 nan 0.000 0.432 294 K N -1.002 119.378 120.400 -0.035 0.000 2.097 294 K HA -0.198 4.116 4.320 -0.010 0.000 0.206 294 K C 2.084 178.838 176.600 0.256 0.000 1.049 294 K CA 1.734 58.069 56.287 0.079 0.000 0.933 294 K CB -0.190 32.175 32.500 -0.224 0.000 0.717 294 K HN 0.512 nan 8.250 nan 0.000 0.442 295 Q N 0.696 120.613 119.800 0.194 0.000 2.050 295 Q HA -0.197 4.137 4.340 -0.010 0.000 0.202 295 Q C 1.984 178.179 176.000 0.324 0.000 0.980 295 Q CA 1.512 57.487 55.803 0.287 0.000 0.840 295 Q CB -0.051 28.873 28.738 0.309 0.000 0.898 295 Q HN 0.392 nan 8.270 nan 0.000 0.424 296 E N -0.215 120.130 120.200 0.241 0.000 2.077 296 E HA -0.214 4.130 4.350 -0.010 0.000 0.193 296 E C 1.746 178.462 176.600 0.193 0.000 0.989 296 E CA 1.056 57.582 56.400 0.211 0.000 0.800 296 E CB -0.141 29.663 29.700 0.173 0.000 0.746 296 E HN 0.328 nan 8.360 nan 0.000 0.452 297 Y N 0.311 120.661 120.300 0.083 0.000 2.263 297 Y HA -0.186 4.358 4.550 -0.010 0.000 0.292 297 Y C 1.949 177.888 175.900 0.066 0.000 1.130 297 Y CA 0.957 59.064 58.100 0.012 0.000 1.179 297 Y CB -0.332 38.106 38.460 -0.037 0.000 0.998 297 Y HN 0.013 nan 8.280 nan 0.000 0.532 298 F N -0.367 119.576 119.950 -0.012 0.000 2.095 298 F HA -0.225 4.296 4.527 -0.010 0.000 0.298 298 F C 2.455 178.110 175.800 -0.243 0.000 1.104 298 F CA 1.948 59.888 58.000 -0.100 0.000 1.232 298 F CB -1.007 38.090 39.000 0.163 0.000 0.987 298 F HN -0.058 nan 8.300 nan 0.000 0.475 299 V N -0.450 119.431 119.914 -0.055 0.000 2.358 299 V HA -0.198 3.916 4.120 -0.010 0.000 0.246 299 V C 2.183 178.134 176.094 -0.239 0.000 1.047 299 V CA 1.977 64.212 62.300 -0.108 0.000 1.035 299 V CB -0.388 31.562 31.823 0.212 0.000 0.658 299 V HN 0.249 nan 8.190 nan 0.000 0.452 300 V N 0.511 120.291 119.914 -0.222 0.000 2.307 300 V HA -0.178 3.937 4.120 -0.010 0.000 0.245 300 V C 2.809 178.651 176.094 -0.420 0.000 1.045 300 V CA 2.145 64.297 62.300 -0.246 0.000 1.024 300 V CB -1.102 30.636 31.823 -0.141 0.000 0.651 300 V HN 0.647 nan 8.190 nan 0.000 0.449 301 A N -0.200 122.202 122.820 -0.697 0.000 1.873 301 A HA -0.040 4.274 4.320 -0.010 0.000 0.215 301 A C 2.404 179.622 177.584 -0.610 0.000 1.186 301 A CA 1.925 53.545 52.037 -0.694 0.000 0.616 301 A CB -0.768 17.610 19.000 -1.036 0.000 0.823 301 A HN 0.543 nan 8.150 nan 0.000 0.442 302 A N -0.944 121.355 122.820 -0.868 0.000 1.873 302 A HA -0.067 4.247 4.320 -0.010 0.000 0.215 302 A C 2.312 179.415 177.584 -0.801 0.000 1.186 302 A CA 2.283 53.631 52.037 -1.149 0.000 0.616 302 A CB -1.308 16.350 19.000 -2.237 0.000 0.823 302 A HN 0.418 nan 8.150 nan 0.000 0.442 303 T N 0.466 114.680 114.554 -0.568 0.000 2.684 303 T HA -0.114 4.230 4.350 -0.010 0.000 0.267 303 T C 1.826 176.258 174.700 -0.446 0.000 1.036 303 T CA 1.514 63.382 62.100 -0.387 0.000 1.148 303 T CB -0.395 68.246 68.868 -0.378 0.000 0.863 303 T HN 0.336 nan 8.240 nan 0.000 0.436 304 L N 0.659 121.667 121.223 -0.359 0.000 2.083 304 L HA -0.155 4.179 4.340 -0.010 0.000 0.209 304 L C 2.910 179.661 176.870 -0.198 0.000 1.083 304 L CA 1.359 56.038 54.840 -0.269 0.000 0.752 304 L CB -0.484 41.457 42.059 -0.196 0.000 0.899 304 L HN 0.352 nan 8.230 nan 0.000 0.433 305 Q N -0.638 119.045 119.800 -0.194 0.000 2.124 305 Q HA -0.249 4.086 4.340 -0.010 0.000 0.202 305 Q C 1.736 177.702 176.000 -0.056 0.000 0.977 305 Q CA 1.694 57.433 55.803 -0.106 0.000 0.850 305 Q CB -0.100 28.567 28.738 -0.120 0.000 0.901 305 Q HN 0.406 nan 8.270 nan 0.000 0.429 306 D N 0.514 120.870 120.400 -0.073 0.000 2.117 306 D HA -0.093 4.542 4.640 -0.010 0.000 0.198 306 D C 1.674 177.917 176.300 -0.094 0.000 0.982 306 D CA 0.828 54.829 54.000 0.002 0.000 0.828 306 D CB -0.020 40.874 40.800 0.157 0.000 0.967 306 D HN 0.154 nan 8.370 nan 0.000 0.464 307 I N 0.172 120.571 120.570 -0.284 0.000 2.163 307 I HA -0.257 3.907 4.170 -0.010 0.000 0.243 307 I C 2.283 178.400 176.117 -0.000 0.000 1.085 307 I CA 0.834 61.908 61.300 -0.376 0.000 1.347 307 I CB -0.152 37.478 38.000 -0.616 0.000 1.044 307 I HN 0.053 nan 8.210 nan 0.000 0.408 308 I N -0.073 120.550 120.570 0.089 0.000 2.252 308 I HA -0.260 3.904 4.170 -0.010 0.000 0.245 308 I C 2.781 179.055 176.117 0.260 0.000 1.102 308 I CA 0.983 62.452 61.300 0.282 0.000 1.385 308 I CB -0.415 37.706 38.000 0.202 0.000 1.064 308 I HN 0.167 nan 8.210 nan 0.000 0.414 309 R N 1.074 121.657 120.500 0.138 0.000 2.094 309 R HA -0.242 4.092 4.340 -0.010 0.000 0.239 309 R C 2.489 178.857 176.300 0.113 0.000 1.137 309 R CA 1.945 58.111 56.100 0.110 0.000 0.943 309 R CB -0.285 30.058 30.300 0.071 0.000 0.850 309 R HN 0.237 nan 8.270 nan 0.000 0.433 310 R N -0.692 119.872 120.500 0.108 0.000 2.115 310 R HA -0.156 4.179 4.340 -0.010 0.000 0.230 310 R C 2.189 178.580 176.300 0.152 0.000 1.111 310 R CA 1.555 57.724 56.100 0.114 0.000 0.976 310 R CB -0.308 30.050 30.300 0.098 0.000 0.870 310 R HN 0.254 nan 8.270 nan 0.000 0.445 311 F N 1.278 121.259 119.950 0.052 0.000 2.186 311 F HA -0.073 4.449 4.527 -0.010 0.000 0.299 311 F C 1.612 177.417 175.800 0.009 0.000 1.090 311 F CA 1.425 59.447 58.000 0.037 0.000 1.307 311 F CB 0.097 39.165 39.000 0.114 0.000 1.019 311 F HN -0.156 nan 8.300 nan 0.000 0.489 312 K N -0.335 120.033 120.400 -0.053 0.000 2.217 312 K HA 0.010 4.324 4.320 -0.010 0.000 0.202 312 K C 1.225 177.734 176.600 -0.152 0.000 1.051 312 K CA 1.095 57.272 56.287 -0.184 0.000 0.952 312 K CB -0.162 32.341 32.500 0.005 0.000 0.736 312 K HN 0.085 nan 8.250 nan 0.000 0.453 313 S N 1.335 117.003 115.700 -0.053 0.000 2.667 313 S HA 0.136 4.600 4.470 -0.010 0.000 0.251 313 S C 0.006 174.601 174.600 -0.009 0.000 1.075 313 S CA -0.337 57.871 58.200 0.013 0.000 1.130 313 S CB 0.240 63.499 63.200 0.098 0.000 0.795 313 S HN 0.107 nan 8.310 nan 0.000 0.462 326 F N 1.608 121.662 119.950 0.174 0.000 2.797 326 F HA 0.169 4.690 4.527 -0.010 0.000 0.302 326 F C 1.453 177.318 175.800 0.109 0.000 1.130 326 F CA 0.078 58.155 58.000 0.128 0.000 1.387 326 F CB 0.342 39.294 39.000 -0.079 0.000 1.107 326 F HN 0.519 nan 8.300 nan 0.000 0.577 327 D N 0.521 121.056 120.400 0.226 0.000 2.218 327 D HA -0.165 4.469 4.640 -0.010 0.000 0.204 327 D C 2.114 178.506 176.300 0.152 0.000 0.976 327 D CA 1.250 55.343 54.000 0.154 0.000 0.853 327 D CB -0.089 40.776 40.800 0.108 0.000 0.939 327 D HN 0.247 nan 8.370 nan 0.000 0.481 328 A N -0.761 122.176 122.820 0.196 0.000 2.275 328 A HA 0.132 4.446 4.320 -0.010 0.000 0.212 328 A C 1.491 179.202 177.584 0.212 0.000 1.201 328 A CA -0.354 51.796 52.037 0.189 0.000 0.843 328 A CB -0.739 18.372 19.000 0.186 0.000 0.873 328 A HN 0.212 nan 8.150 nan 0.000 0.492 329 F N 1.988 121.916 119.950 -0.036 0.000 2.065 329 F HA -0.138 4.383 4.527 -0.009 0.000 0.298 329 F C -0.791 174.910 175.800 -0.164 0.000 1.112 329 F CA 2.545 60.325 58.000 -0.366 0.000 1.212 329 F CB -0.450 38.333 39.000 -0.362 0.000 0.975 329 F HN 0.206 nan 8.300 nan 0.000 0.476 330 P HA -0.069 nan 4.420 nan 0.000 0.233 330 P C 0.621 177.882 177.300 -0.065 0.000 1.167 330 P CA 1.232 64.301 63.100 -0.051 0.000 0.770 330 P CB -0.064 31.633 31.700 -0.004 0.000 0.837 331 D N -0.603 119.780 120.400 -0.029 0.000 2.277 331 D HA -0.035 4.600 4.640 -0.010 0.000 0.208 331 D C 1.510 177.796 176.300 -0.022 0.000 0.962 331 D CA 0.922 54.916 54.000 -0.010 0.000 0.865 331 D CB 0.122 40.936 40.800 0.024 0.000 0.939 331 D HN 0.129 nan 8.370 nan 0.000 0.510 332 K N 0.013 120.378 120.400 -0.057 0.000 2.380 332 K HA 0.212 4.526 4.320 -0.010 0.000 0.198 332 K C -0.128 176.392 176.600 -0.133 0.000 1.070 332 K CA 0.067 56.330 56.287 -0.039 0.000 1.040 332 K CB 2.288 34.867 32.500 0.131 0.000 0.903 332 K HN -0.062 nan 8.250 nan 0.000 0.549 333 V N 0.965 120.717 119.914 -0.270 0.000 2.686 333 V HA 0.608 4.722 4.120 -0.010 0.000 0.306 333 V C -1.081 174.926 176.094 -0.145 0.000 1.065 333 V CA -1.303 60.834 62.300 -0.270 0.000 0.894 333 V CB 1.819 33.187 31.823 -0.758 0.000 1.004 333 V HN 0.101 nan 8.190 nan 0.000 0.424 334 A N 5.709 128.497 122.820 -0.054 0.000 2.343 334 A HA 0.932 5.246 4.320 -0.010 0.000 0.316 334 A C -0.941 176.669 177.584 0.043 0.000 1.104 334 A CA -0.497 51.539 52.037 -0.001 0.000 0.768 334 A CB 0.987 19.943 19.000 -0.073 0.000 1.213 334 A HN 0.775 nan 8.150 nan 0.000 0.456 335 I N 1.791 122.427 120.570 0.109 0.000 2.382 335 I HA 0.310 4.474 4.170 -0.010 0.000 0.286 335 I C -0.310 175.896 176.117 0.148 0.000 1.002 335 I CA -0.559 60.816 61.300 0.124 0.000 1.135 335 I CB 1.932 39.986 38.000 0.088 0.000 1.288 335 I HN 0.686 nan 8.210 nan 0.000 0.448 336 Q N 6.835 126.720 119.800 0.141 0.000 2.340 336 Q HA 0.499 4.834 4.340 -0.010 0.000 0.259 336 Q C -1.325 174.673 176.000 -0.002 0.000 0.964 336 Q CA -0.275 55.636 55.803 0.180 0.000 0.900 336 Q CB 1.288 30.236 28.738 0.350 0.000 1.228 336 Q HN 0.571 nan 8.270 nan 0.000 0.449 337 L N 3.748 125.009 121.223 0.064 0.000 2.261 337 L HA 0.390 4.725 4.340 -0.010 0.000 0.289 337 L C 0.084 176.985 176.870 0.051 0.000 1.059 337 L CA -0.718 54.152 54.840 0.049 0.000 0.816 337 L CB 0.596 42.729 42.059 0.123 0.000 1.191 337 L HN 0.563 nan 8.230 nan 0.000 0.431 338 N N 4.506 123.161 118.700 -0.075 0.000 2.508 338 N HA 0.061 4.795 4.740 -0.010 0.000 0.253 338 N C -0.137 175.395 175.510 0.036 0.000 1.145 338 N CA 0.492 53.549 53.050 0.011 0.000 0.973 338 N CB -0.069 38.335 38.487 -0.138 0.000 1.305 338 N HN 0.635 nan 8.380 nan 0.000 0.506 339 D N -0.107 120.415 120.400 0.203 0.000 4.199 339 D HA -0.224 4.410 4.640 -0.010 0.000 0.291 339 D C 0.254 176.645 176.300 0.151 0.000 2.213 339 D CA 1.536 55.628 54.000 0.152 0.000 1.174 339 D CB -0.533 40.080 40.800 -0.312 0.000 1.012 339 D HN 0.507 nan 8.370 nan 0.000 1.213 340 T N -2.458 112.122 114.554 0.043 0.000 3.129 340 T HA 0.110 4.454 4.350 -0.010 0.000 0.251 340 T C 1.611 176.384 174.700 0.123 0.000 1.117 340 T CA 1.388 63.503 62.100 0.024 0.000 1.034 340 T CB -0.498 68.354 68.868 -0.027 0.000 0.968 340 T HN 0.497 nan 8.240 nan 0.000 0.526 341 H N 2.636 121.791 119.070 0.142 0.000 2.353 341 H HA -0.008 4.542 4.556 -0.010 0.000 0.298 341 H C -0.864 174.550 175.328 0.144 0.000 1.103 341 H CA 1.013 57.158 56.048 0.162 0.000 1.293 341 H CB -0.932 28.926 29.762 0.160 0.000 1.372 341 H HN 0.437 nan 8.280 nan 0.000 0.501 342 P HA 0.083 nan 4.420 nan 0.000 0.254 342 P C 0.704 178.047 177.300 0.072 0.000 1.620 342 P CA 0.328 63.506 63.100 0.131 0.000 1.050 342 P CB 0.314 32.079 31.700 0.109 0.000 1.539 343 S N -0.241 115.495 115.700 0.060 0.000 2.440 343 S HA -0.133 4.332 4.470 -0.010 0.000 0.238 343 S C 1.745 176.346 174.600 0.002 0.000 1.010 343 S CA 0.800 58.996 58.200 -0.007 0.000 0.972 343 S CB -1.472 61.701 63.200 -0.045 0.000 0.774 343 S HN 0.159 nan 8.310 nan 0.000 0.501 344 L N 1.027 122.265 121.223 0.026 0.000 2.456 344 L HA 0.021 4.355 4.340 -0.010 0.000 0.224 344 L C 2.932 179.832 176.870 0.049 0.000 1.148 344 L CA 0.602 55.457 54.840 0.024 0.000 0.825 344 L CB -0.783 41.287 42.059 0.018 0.000 0.937 344 L HN 0.466 nan 8.230 nan 0.000 0.450 345 A N 0.641 123.474 122.820 0.022 0.000 1.986 345 A HA -0.218 4.096 4.320 -0.010 0.000 0.220 345 A C 2.177 179.759 177.584 -0.003 0.000 1.171 345 A CA 1.624 53.661 52.037 -0.001 0.000 0.640 345 A CB -0.490 18.501 19.000 -0.014 0.000 0.811 345 A HN 0.382 nan 8.150 nan 0.000 0.451 346 I N 0.199 120.770 120.570 0.000 0.000 2.110 346 I HA -0.140 4.024 4.170 -0.010 0.000 0.236 346 I C -0.354 175.783 176.117 0.033 0.000 1.068 346 I CA 1.549 62.849 61.300 -0.001 0.000 1.333 346 I CB -0.998 37.003 38.000 0.002 0.000 1.054 346 I HN 0.243 nan 8.210 nan 0.000 0.402 347 P HA -0.160 nan 4.420 nan 0.000 0.221 347 P C 1.266 178.603 177.300 0.062 0.000 1.150 347 P CA 1.432 64.573 63.100 0.068 0.000 0.800 347 P CB 0.037 31.796 31.700 0.098 0.000 0.787 348 E N 0.300 120.597 120.200 0.161 0.000 2.072 348 E HA -0.156 4.189 4.350 -0.010 0.000 0.191 348 E C 1.918 178.509 176.600 -0.016 0.000 0.985 348 E CA 0.710 57.215 56.400 0.176 0.000 0.801 348 E CB -1.215 28.628 29.700 0.238 0.000 0.750 348 E HN -0.000 nan 8.360 nan 0.000 0.452 349 L N -0.003 121.179 121.223 -0.068 0.000 2.046 349 L HA -0.124 4.210 4.340 -0.010 0.000 0.208 349 L C 2.106 178.837 176.870 -0.231 0.000 1.077 349 L CA 1.798 56.538 54.840 -0.166 0.000 0.747 349 L CB -0.585 41.377 42.059 -0.161 0.000 0.896 349 L HN 0.237 nan 8.230 nan 0.000 0.432 350 M N -0.762 118.719 119.600 -0.199 0.000 2.080 350 M HA -0.242 4.232 4.480 -0.010 0.000 0.260 350 M C 2.439 178.582 176.300 -0.262 0.000 1.068 350 M CA 1.668 56.801 55.300 -0.279 0.000 1.109 350 M CB -1.271 31.151 32.600 -0.297 0.000 1.342 350 M HN 0.344 nan 8.290 nan 0.000 0.405 351 R N 0.090 120.461 120.500 -0.216 0.000 2.080 351 R HA -0.146 4.188 4.340 -0.010 0.000 0.236 351 R C 2.100 178.294 176.300 -0.176 0.000 1.137 351 R CA 1.860 57.831 56.100 -0.215 0.000 0.943 351 R CB -0.245 29.876 30.300 -0.298 0.000 0.846 351 R HN 0.215 nan 8.270 nan 0.000 0.431 352 V N 1.474 121.283 119.914 -0.175 0.000 2.295 352 V HA -0.264 3.850 4.120 -0.010 0.000 0.246 352 V C 2.426 178.356 176.094 -0.274 0.000 1.049 352 V CA 1.849 64.037 62.300 -0.187 0.000 1.024 352 V CB -0.437 31.274 31.823 -0.186 0.000 0.648 352 V HN 0.353 nan 8.190 nan 0.000 0.447 353 L N -0.638 120.360 121.223 -0.375 0.000 2.083 353 L HA -0.133 4.202 4.340 -0.010 0.000 0.209 353 L C 2.377 179.067 176.870 -0.301 0.000 1.083 353 L CA 1.095 55.651 54.840 -0.473 0.000 0.752 353 L CB -0.633 41.096 42.059 -0.549 0.000 0.899 353 L HN 0.211 nan 8.230 nan 0.000 0.433 354 V N -0.609 119.171 119.914 -0.224 0.000 2.331 354 V HA -0.168 3.946 4.120 -0.010 0.000 0.242 354 V C 1.930 177.981 176.094 -0.072 0.000 1.034 354 V CA 1.654 63.883 62.300 -0.118 0.000 1.027 354 V CB -0.318 31.465 31.823 -0.067 0.000 0.667 354 V HN 0.333 nan 8.190 nan 0.000 0.457 355 D N -0.127 120.225 120.400 -0.080 0.000 2.194 355 D HA 0.010 4.644 4.640 -0.010 0.000 0.204 355 D C 1.974 178.245 176.300 -0.048 0.000 0.964 355 D CA 1.112 55.081 54.000 -0.051 0.000 0.846 355 D CB 0.144 40.910 40.800 -0.056 0.000 0.962 355 D HN 0.336 nan 8.370 nan 0.000 0.490 356 L N 0.029 121.208 121.223 -0.074 0.000 2.445 356 L HA 0.146 4.480 4.340 -0.010 0.000 0.207 356 L C 1.766 178.605 176.870 -0.051 0.000 1.053 356 L CA 0.395 55.202 54.840 -0.054 0.000 0.841 356 L CB 0.145 42.172 42.059 -0.054 0.000 1.074 356 L HN -0.202 nan 8.230 nan 0.000 0.479 357 E N 0.416 120.553 120.200 -0.105 0.000 2.447 357 E HA 0.049 4.394 4.350 -0.010 0.000 0.195 357 E C 0.037 176.606 176.600 -0.052 0.000 1.028 357 E CA -0.046 56.303 56.400 -0.085 0.000 0.876 357 E CB 0.385 29.934 29.700 -0.252 0.000 0.885 357 E HN 0.185 nan 8.360 nan 0.000 0.500 358 R N -0.167 120.297 120.500 -0.059 0.000 3.656 358 R HA -0.182 4.152 4.340 -0.010 0.000 0.297 358 R C -0.349 175.939 176.300 -0.020 0.000 1.166 358 R CA 0.238 56.324 56.100 -0.023 0.000 0.799 358 R CB -2.942 27.362 30.300 0.006 0.000 1.285 358 R HN 0.080 nan 8.270 nan 0.000 0.477 359 L N 2.140 123.324 121.223 -0.065 0.000 2.436 359 L HA 0.161 4.495 4.340 -0.010 0.000 0.265 359 L C 1.498 178.361 176.870 -0.010 0.000 1.168 359 L CA 0.212 55.023 54.840 -0.048 0.000 0.815 359 L CB 0.406 42.392 42.059 -0.123 0.000 1.109 359 L HN 0.152 nan 8.230 nan 0.000 0.462 360 D N 0.731 121.149 120.400 0.029 0.000 2.357 360 D HA -0.129 4.505 4.640 -0.010 0.000 0.242 360 D C 0.930 177.295 176.300 0.109 0.000 1.153 360 D CA -0.542 53.509 54.000 0.084 0.000 0.918 360 D CB 0.736 41.591 40.800 0.092 0.000 1.181 360 D HN 0.604 nan 8.370 nan 0.000 0.435 361 W N 1.740 123.042 121.300 0.002 0.000 2.301 361 W HA -0.245 4.409 4.660 -0.010 0.000 0.325 361 W C 1.100 177.660 176.519 0.067 0.000 1.250 361 W CA 2.006 59.358 57.345 0.012 0.000 1.261 361 W CB -0.323 29.125 29.460 -0.021 0.000 1.157 361 W HN 0.451 nan 8.180 nan 0.000 0.473 362 D N 0.258 120.847 120.400 0.315 0.000 2.123 362 D HA -0.209 4.425 4.640 -0.010 0.000 0.196 362 D C 1.883 178.276 176.300 0.154 0.000 0.992 362 D CA 2.058 56.215 54.000 0.263 0.000 0.833 362 D CB -0.429 40.501 40.800 0.217 0.000 0.954 362 D HN 0.088 nan 8.370 nan 0.000 0.455 363 K N 1.200 121.652 120.400 0.086 0.000 2.025 363 K HA 0.026 4.341 4.320 -0.010 0.000 0.207 363 K C 1.851 178.438 176.600 -0.022 0.000 1.049 363 K CA 1.498 57.810 56.287 0.042 0.000 0.933 363 K CB -0.617 31.905 32.500 0.036 0.000 0.714 363 K HN -0.013 nan 8.250 nan 0.000 0.438 364 A N 0.770 123.533 122.820 -0.094 0.000 1.908 364 A HA -0.202 4.112 4.320 -0.010 0.000 0.218 364 A C 2.278 179.762 177.584 -0.166 0.000 1.181 364 A CA 1.609 53.522 52.037 -0.205 0.000 0.627 364 A CB -1.275 17.537 19.000 -0.314 0.000 0.818 364 A HN 0.709 nan 8.150 nan 0.000 0.445 365 W N 0.551 121.635 121.300 -0.360 0.000 2.358 365 W HA -0.168 4.486 4.660 -0.009 0.000 0.303 365 W C 2.003 178.457 176.519 -0.109 0.000 1.208 365 W CA 1.776 58.956 57.345 -0.274 0.000 1.274 365 W CB -0.119 29.211 29.460 -0.216 0.000 1.138 365 W HN 0.622 nan 8.180 nan 0.000 0.515 366 E N 0.125 120.313 120.200 -0.019 0.000 2.058 366 E HA -0.231 4.113 4.350 -0.010 0.000 0.194 366 E C 2.045 178.568 176.600 -0.128 0.000 0.997 366 E CA 1.975 58.328 56.400 -0.077 0.000 0.801 366 E CB -0.323 29.388 29.700 0.018 0.000 0.746 366 E HN 0.051 nan 8.360 nan 0.000 0.450 367 V N 0.687 120.540 119.914 -0.102 0.000 2.295 367 V HA -0.266 3.848 4.120 -0.010 0.000 0.246 367 V C 2.398 178.427 176.094 -0.109 0.000 1.049 367 V CA 2.204 64.462 62.300 -0.070 0.000 1.024 367 V CB -0.791 30.984 31.823 -0.081 0.000 0.648 367 V HN 0.397 nan 8.190 nan 0.000 0.447 368 T N 0.052 114.470 114.554 -0.226 0.000 2.652 368 T HA -0.195 4.149 4.350 -0.010 0.000 0.267 368 T C 1.948 176.470 174.700 -0.297 0.000 1.039 368 T CA 1.845 63.785 62.100 -0.266 0.000 1.153 368 T CB -0.333 68.322 68.868 -0.355 0.000 0.863 368 T HN 0.265 nan 8.240 nan 0.000 0.428 369 V N 1.435 121.054 119.914 -0.492 0.000 2.287 369 V HA -0.199 3.915 4.120 -0.010 0.000 0.248 369 V C 2.380 178.425 176.094 -0.083 0.000 1.053 369 V CA 1.713 63.778 62.300 -0.391 0.000 1.027 369 V CB -0.508 30.999 31.823 -0.527 0.000 0.646 369 V HN 0.473 nan 8.190 nan 0.000 0.447 370 K N -0.531 119.805 120.400 -0.107 0.000 2.283 370 K HA -0.103 4.211 4.320 -0.010 0.000 0.202 370 K C 2.080 178.646 176.600 -0.057 0.000 1.048 370 K CA 1.584 57.791 56.287 -0.134 0.000 0.948 370 K CB -0.228 32.196 32.500 -0.127 0.000 0.742 370 K HN 0.485 nan 8.250 nan 0.000 0.458 371 T N 0.159 114.739 114.554 0.045 0.000 2.976 371 T HA 0.017 4.361 4.350 -0.010 0.000 0.257 371 T C 0.926 175.732 174.700 0.176 0.000 1.051 371 T CA 0.400 62.562 62.100 0.104 0.000 1.141 371 T CB 0.096 69.055 68.868 0.150 0.000 0.881 371 T HN 0.168 nan 8.240 nan 0.000 0.461 372 C N 2.284 121.672 119.300 0.145 0.000 2.405 372 C HA 0.882 5.336 4.460 -0.010 0.000 0.365 372 C C 0.608 175.650 174.990 0.085 0.000 1.233 372 C CA -1.166 57.915 59.018 0.104 0.000 2.230 372 C CB 0.131 27.873 27.740 0.002 0.000 2.443 372 C HN 0.605 nan 8.230 nan 0.000 0.556 373 A N 1.958 124.821 122.820 0.072 0.000 2.539 373 A HA 0.786 5.101 4.320 -0.010 0.000 0.296 373 A C -1.623 176.030 177.584 0.115 0.000 1.073 373 A CA -0.436 51.593 52.037 -0.015 0.000 0.700 373 A CB 1.126 20.108 19.000 -0.030 0.000 1.296 373 A HN 0.962 nan 8.150 nan 0.000 0.405 374 Y N 0.916 121.166 120.300 -0.083 0.000 2.373 374 Y HA 0.628 5.173 4.550 -0.009 0.000 0.336 374 Y C -0.624 175.256 175.900 -0.033 0.000 0.979 374 Y CA -0.321 57.742 58.100 -0.061 0.000 1.080 374 Y CB 2.077 40.459 38.460 -0.129 0.000 1.190 374 Y HN 0.585 nan 8.280 nan 0.000 0.446 375 T N 6.499 120.857 114.554 -0.326 0.000 2.771 375 T HA 0.198 4.542 4.350 -0.010 0.000 0.281 375 T C -0.752 173.498 174.700 -0.749 0.000 0.982 375 T CA -0.772 61.061 62.100 -0.445 0.000 0.978 375 T CB 0.497 69.322 68.868 -0.072 0.000 0.930 375 T HN 0.649 nan 8.240 nan 0.000 0.447 376 N N 1.663 119.922 118.700 -0.734 0.000 2.473 376 N HA 0.149 4.883 4.740 -0.010 0.000 0.291 376 N C 0.014 175.411 175.510 -0.189 0.000 1.083 376 N CA -0.358 52.492 53.050 -0.333 0.000 0.951 376 N CB 0.834 39.288 38.487 -0.054 0.000 1.164 376 N HN 0.674 nan 8.380 nan 0.000 0.480 377 H N 0.806 119.909 119.070 0.055 0.000 3.058 377 H HA 0.164 4.714 4.556 -0.010 0.000 0.266 377 H C -0.215 175.031 175.328 -0.137 0.000 1.135 377 H CA -0.010 56.018 56.048 -0.034 0.000 1.174 377 H CB 1.219 30.967 29.762 -0.024 0.000 1.581 377 H HN 0.526 nan 8.280 nan 0.000 0.553 378 T N 0.276 114.860 114.554 0.051 0.000 2.830 378 T HA 0.231 4.575 4.350 -0.010 0.000 0.322 378 T C 0.362 175.094 174.700 0.053 0.000 1.501 378 T CA -0.351 61.730 62.100 -0.031 0.000 1.036 378 T CB 1.394 70.240 68.868 -0.037 0.000 1.379 378 T HN -0.039 nan 8.240 nan 0.000 0.493 379 V N 1.671 121.576 119.914 -0.014 0.000 3.528 379 V HA 0.554 4.669 4.120 -0.010 0.000 0.294 379 V C 0.650 176.709 176.094 -0.059 0.000 1.404 379 V CA -0.045 62.234 62.300 -0.035 0.000 1.065 379 V CB -0.390 31.411 31.823 -0.036 0.000 0.904 379 V HN 0.701 nan 8.190 nan 0.000 0.435 380 L N 3.082 124.259 121.223 -0.076 0.000 2.477 380 L HA 0.214 4.548 4.340 -0.010 0.000 0.272 380 L C -0.601 176.268 176.870 -0.001 0.000 1.157 380 L CA -0.985 53.829 54.840 -0.042 0.000 0.889 380 L CB 0.842 42.858 42.059 -0.072 0.000 1.158 380 L HN 0.143 nan 8.230 nan 0.000 0.473 381 P HA -0.207 nan 4.420 nan 0.000 0.216 381 P C 0.995 178.305 177.300 0.017 0.000 1.150 381 P CA 1.226 64.329 63.100 0.006 0.000 0.837 381 P CB 0.055 31.763 31.700 0.013 0.000 0.786 382 E N 0.355 120.597 120.200 0.070 0.000 2.418 382 E HA -0.057 4.288 4.350 -0.010 0.000 0.197 382 E C 1.616 178.230 176.600 0.024 0.000 1.026 382 E CA 1.075 57.529 56.400 0.090 0.000 0.862 382 E CB -0.761 29.102 29.700 0.273 0.000 0.799 382 E HN 0.198 nan 8.360 nan 0.000 0.518 383 A N 1.272 124.122 122.820 0.050 0.000 2.195 383 A HA 0.229 4.543 4.320 -0.010 0.000 0.210 383 A C 1.320 178.895 177.584 -0.015 0.000 1.165 383 A CA -0.275 51.794 52.037 0.054 0.000 0.806 383 A CB -0.093 18.961 19.000 0.090 0.000 0.847 383 A HN 0.145 nan 8.150 nan 0.000 0.482 384 L N 1.343 122.513 121.223 -0.088 0.000 2.380 384 L HA 0.175 4.510 4.340 -0.010 0.000 0.273 384 L C -0.105 176.441 176.870 -0.539 0.000 1.138 384 L CA -0.212 54.515 54.840 -0.188 0.000 0.832 384 L CB 0.625 42.608 42.059 -0.126 0.000 1.124 384 L HN 0.307 nan 8.230 nan 0.000 0.454 385 E N 4.173 123.967 120.200 -0.677 0.000 2.180 385 E HA 0.232 4.576 4.350 -0.010 0.000 0.283 385 E C -0.601 175.354 176.600 -1.074 0.000 1.061 385 E CA -0.182 55.374 56.400 -1.407 0.000 0.861 385 E CB 0.743 29.968 29.700 -0.791 0.000 1.056 385 E HN 0.403 nan 8.360 nan 0.000 0.407 386 R N 3.817 123.525 120.500 -1.319 0.000 2.472 386 R HA 0.190 4.524 4.340 -0.010 0.000 0.294 386 R C -1.211 174.900 176.300 -0.315 0.000 1.243 386 R CA -0.574 55.202 56.100 -0.539 0.000 1.023 386 R CB 0.852 30.974 30.300 -0.298 0.000 1.157 386 R HN 0.450 nan 8.270 nan 0.000 0.530 387 W N 4.382 125.623 121.300 -0.098 0.000 2.287 387 W HA 0.263 4.917 4.660 -0.010 0.000 0.313 387 W C -1.885 174.609 176.519 -0.043 0.000 1.267 387 W CA -2.115 55.237 57.345 0.011 0.000 1.201 387 W CB 0.725 30.169 29.460 -0.026 0.000 1.196 387 W HN 0.250 nan 8.180 nan 0.000 0.536 388 P HA -0.096 nan 4.420 nan 0.000 0.264 388 P C 0.798 178.039 177.300 -0.099 0.000 1.193 388 P CA 0.250 63.325 63.100 -0.042 0.000 0.763 388 P CB 0.697 32.197 31.700 -0.334 0.000 0.810 389 V N 3.337 123.242 119.914 -0.015 0.000 2.392 389 V HA -0.292 3.823 4.120 -0.010 0.000 0.249 389 V C 2.130 178.226 176.094 0.004 0.000 1.059 389 V CA 2.569 64.879 62.300 0.016 0.000 1.051 389 V CB -1.701 30.191 31.823 0.116 0.000 0.658 389 V HN 0.760 nan 8.190 nan 0.000 0.455 390 H N -1.070 118.055 119.070 0.093 0.000 2.423 390 H HA -0.077 4.474 4.556 -0.010 0.000 0.297 390 H C 2.029 177.403 175.328 0.076 0.000 1.075 390 H CA 1.587 57.685 56.048 0.083 0.000 1.342 390 H CB -0.616 29.197 29.762 0.084 0.000 1.395 390 H HN 0.348 nan 8.280 nan 0.000 0.530 391 L N 0.024 121.101 121.223 -0.243 0.000 2.017 391 L HA -0.123 4.212 4.340 -0.010 0.000 0.208 391 L C 2.415 179.237 176.870 -0.081 0.000 1.073 391 L CA 1.191 55.982 54.840 -0.082 0.000 0.745 391 L CB -0.308 41.694 42.059 -0.095 0.000 0.894 391 L HN 0.317 nan 8.230 nan 0.000 0.432 392 L N -0.651 120.500 121.223 -0.120 0.000 2.083 392 L HA -0.230 4.104 4.340 -0.010 0.000 0.209 392 L C 2.484 179.291 176.870 -0.105 0.000 1.083 392 L CA 1.088 55.832 54.840 -0.161 0.000 0.752 392 L CB -0.426 41.526 42.059 -0.179 0.000 0.899 392 L HN 0.302 nan 8.230 nan 0.000 0.433 393 E N -0.366 119.814 120.200 -0.033 0.000 2.058 393 E HA -0.222 4.122 4.350 -0.010 0.000 0.194 393 E C 1.966 178.601 176.600 0.059 0.000 0.997 393 E CA 2.008 58.421 56.400 0.021 0.000 0.801 393 E CB 0.118 29.869 29.700 0.085 0.000 0.746 393 E HN 0.431 nan 8.360 nan 0.000 0.450 394 T N 0.596 115.207 114.554 0.095 0.000 2.851 394 T HA -0.082 4.262 4.350 -0.010 0.000 0.262 394 T C 1.712 176.509 174.700 0.162 0.000 1.043 394 T CA 0.717 62.921 62.100 0.174 0.000 1.140 394 T CB -0.107 68.896 68.868 0.224 0.000 0.872 394 T HN 0.060 nan 8.240 nan 0.000 0.446 395 L N -0.046 121.175 121.223 -0.004 0.000 2.127 395 L HA 0.367 4.701 4.340 -0.010 0.000 0.203 395 L C 0.437 177.247 176.870 -0.101 0.000 1.080 395 L CA 1.550 56.275 54.840 -0.191 0.000 0.768 395 L CB 0.053 41.963 42.059 -0.249 0.000 0.924 395 L HN 0.172 nan 8.230 nan 0.000 0.444 396 L N 0.747 121.877 121.223 -0.155 0.000 2.625 396 L HA 0.288 4.622 4.340 -0.010 0.000 0.255 396 L C -1.717 174.979 176.870 -0.290 0.000 1.493 396 L CA -0.908 53.759 54.840 -0.288 0.000 0.796 396 L CB 0.902 42.646 42.059 -0.523 0.000 1.064 396 L HN -0.046 nan 8.230 nan 0.000 0.516 397 P HA -0.180 nan 4.420 nan 0.000 0.217 397 P C 1.449 178.555 177.300 -0.324 0.000 1.150 397 P CA 1.077 64.060 63.100 -0.195 0.000 0.832 397 P CB 0.384 32.047 31.700 -0.062 0.000 0.787 398 R N -0.113 120.007 120.500 -0.635 0.000 2.090 398 R HA -0.122 4.212 4.340 -0.010 0.000 0.228 398 R C 2.272 178.257 176.300 -0.525 0.000 1.110 398 R CA 1.608 57.334 56.100 -0.623 0.000 0.973 398 R CB -1.614 28.141 30.300 -0.907 0.000 0.869 398 R HN 0.237 nan 8.270 nan 0.000 0.440 399 H N -0.328 118.427 119.070 -0.523 0.000 2.387 399 H HA -0.041 4.510 4.556 -0.010 0.000 0.299 399 H C 1.792 176.943 175.328 -0.295 0.000 1.090 399 H CA 1.591 57.417 56.048 -0.371 0.000 1.332 399 H CB -0.091 29.419 29.762 -0.421 0.000 1.386 399 H HN 0.085 nan 8.280 nan 0.000 0.516 400 L N 0.514 121.606 121.223 -0.217 0.000 2.017 400 L HA -0.250 4.084 4.340 -0.010 0.000 0.208 400 L C 1.925 178.583 176.870 -0.353 0.000 1.073 400 L CA 1.598 56.238 54.840 -0.334 0.000 0.745 400 L CB -0.303 41.573 42.059 -0.304 0.000 0.894 400 L HN 0.443 nan 8.230 nan 0.000 0.432 401 Q N -0.286 119.416 119.800 -0.164 0.000 2.096 401 Q HA -0.255 4.079 4.340 -0.010 0.000 0.204 401 Q C 2.157 178.160 176.000 0.005 0.000 0.982 401 Q CA 1.769 57.566 55.803 -0.010 0.000 0.850 401 Q CB -0.148 28.593 28.738 0.005 0.000 0.901 401 Q HN 0.552 nan 8.270 nan 0.000 0.422 402 I N 0.297 120.850 120.570 -0.028 0.000 2.315 402 I HA -0.266 3.899 4.170 -0.010 0.000 0.248 402 I C 2.126 178.309 176.117 0.111 0.000 1.117 402 I CA 0.998 62.362 61.300 0.107 0.000 1.404 402 I CB -0.103 37.923 38.000 0.043 0.000 1.071 402 I HN 0.191 nan 8.210 nan 0.000 0.419 403 I N -0.568 119.990 120.570 -0.020 0.000 2.286 403 I HA -0.311 3.853 4.170 -0.010 0.000 0.248 403 I C 2.340 178.471 176.117 0.025 0.000 1.115 403 I CA 1.319 62.600 61.300 -0.032 0.000 1.392 403 I CB -0.339 37.578 38.000 -0.139 0.000 1.065 403 I HN 0.159 nan 8.210 nan 0.000 0.418 404 Y N 0.838 121.140 120.300 0.002 0.000 2.181 404 Y HA -0.275 4.269 4.550 -0.010 0.000 0.288 404 Y C 2.606 178.469 175.900 -0.061 0.000 1.146 404 Y CA 1.524 59.612 58.100 -0.020 0.000 1.164 404 Y CB -0.815 37.626 38.460 -0.032 0.000 0.982 404 Y HN 0.188 nan 8.280 nan 0.000 0.515 405 E N 0.410 120.644 120.200 0.057 0.000 2.077 405 E HA -0.153 4.192 4.350 -0.010 0.000 0.193 405 E C 2.075 178.588 176.600 -0.145 0.000 0.989 405 E CA 1.314 57.607 56.400 -0.179 0.000 0.800 405 E CB -0.563 28.858 29.700 -0.465 0.000 0.746 405 E HN 0.478 nan 8.360 nan 0.000 0.452 406 I N 0.669 121.255 120.570 0.027 0.000 2.208 406 I HA -0.297 3.867 4.170 -0.010 0.000 0.245 406 I C 2.272 178.393 176.117 0.007 0.000 1.097 406 I CA 1.426 62.701 61.300 -0.042 0.000 1.363 406 I CB -0.398 37.583 38.000 -0.032 0.000 1.051 406 I HN 0.215 nan 8.210 nan 0.000 0.413 407 N N 0.643 119.392 118.700 0.081 0.000 2.084 407 N HA -0.263 4.471 4.740 -0.010 0.000 0.190 407 N C 1.875 177.469 175.510 0.140 0.000 1.030 407 N CA 1.506 54.651 53.050 0.159 0.000 0.849 407 N CB -0.152 38.446 38.487 0.185 0.000 1.012 407 N HN 0.331 nan 8.380 nan 0.000 0.423 408 Q N 0.108 119.937 119.800 0.047 0.000 2.050 408 Q HA -0.142 4.193 4.340 -0.010 0.000 0.202 408 Q C 1.995 177.981 176.000 -0.023 0.000 0.980 408 Q CA 1.375 57.172 55.803 -0.011 0.000 0.840 408 Q CB -0.020 28.672 28.738 -0.077 0.000 0.898 408 Q HN 0.377 nan 8.270 nan 0.000 0.424 409 R N -0.626 119.838 120.500 -0.059 0.000 2.096 409 R HA -0.130 4.204 4.340 -0.010 0.000 0.235 409 R C 2.183 178.511 176.300 0.046 0.000 1.127 409 R CA 1.424 57.490 56.100 -0.056 0.000 0.968 409 R CB -0.401 29.816 30.300 -0.138 0.000 0.861 409 R HN 0.276 nan 8.270 nan 0.000 0.440 410 F N 1.360 121.288 119.950 -0.036 0.000 2.113 410 F HA -0.101 4.420 4.527 -0.010 0.000 0.297 410 F C 1.815 177.638 175.800 0.040 0.000 1.103 410 F CA 1.361 59.386 58.000 0.042 0.000 1.248 410 F CB -0.135 38.921 39.000 0.093 0.000 0.999 410 F HN -0.107 nan 8.300 nan 0.000 0.475 411 L N -0.080 121.164 121.223 0.035 0.000 2.201 411 L HA -0.208 4.127 4.340 -0.010 0.000 0.212 411 L C 1.962 178.776 176.870 -0.094 0.000 1.105 411 L CA 1.375 56.176 54.840 -0.065 0.000 0.775 411 L CB -0.853 41.228 42.059 0.036 0.000 0.913 411 L HN 0.252 nan 8.230 nan 0.000 0.440 412 N N -0.125 118.534 118.700 -0.067 0.000 2.166 412 N HA -0.163 4.572 4.740 -0.010 0.000 0.186 412 N C 1.897 177.355 175.510 -0.087 0.000 1.019 412 N CA 0.781 53.791 53.050 -0.067 0.000 0.856 412 N CB 0.020 38.474 38.487 -0.054 0.000 0.993 412 N HN 0.288 nan 8.380 nan 0.000 0.426 413 R N 0.501 120.929 120.500 -0.119 0.000 2.092 413 R HA -0.033 4.302 4.340 -0.010 0.000 0.231 413 R C 2.165 178.363 176.300 -0.171 0.000 1.119 413 R CA 0.784 56.804 56.100 -0.134 0.000 0.970 413 R CB -0.245 29.978 30.300 -0.129 0.000 0.864 413 R HN 0.083 nan 8.270 nan 0.000 0.440 414 V N 0.963 120.728 119.914 -0.248 0.000 2.307 414 V HA -0.228 3.887 4.120 -0.010 0.000 0.245 414 V C 2.442 178.528 176.094 -0.012 0.000 1.045 414 V CA 1.952 64.168 62.300 -0.141 0.000 1.024 414 V CB -0.725 30.953 31.823 -0.240 0.000 0.651 414 V HN 0.392 nan 8.190 nan 0.000 0.449 415 A N 0.101 122.891 122.820 -0.050 0.000 1.940 415 A HA -0.150 4.164 4.320 -0.010 0.000 0.219 415 A C 2.384 179.946 177.584 -0.036 0.000 1.176 415 A CA 2.201 54.224 52.037 -0.023 0.000 0.631 415 A CB -0.731 18.248 19.000 -0.035 0.000 0.814 415 A HN 0.588 nan 8.150 nan 0.000 0.446 416 A N -0.667 122.112 122.820 -0.069 0.000 1.968 416 A HA 0.295 4.610 4.320 -0.010 0.000 0.217 416 A C 2.363 179.859 177.584 -0.146 0.000 1.169 416 A CA 1.739 53.724 52.037 -0.087 0.000 0.638 416 A CB -0.648 18.304 19.000 -0.080 0.000 0.812 416 A HN 0.971 nan 8.150 nan 0.000 0.446 417 A N -1.625 121.066 122.820 -0.215 0.000 1.975 417 A HA 0.394 4.709 4.320 -0.010 0.000 0.215 417 A C 0.443 177.591 177.584 -0.726 0.000 1.170 417 A CA 0.497 52.239 52.037 -0.492 0.000 0.656 417 A CB -0.116 18.514 19.000 -0.616 0.000 0.821 417 A HN 0.415 nan 8.150 nan 0.000 0.449 418 F N 0.192 120.096 119.950 -0.076 0.000 2.584 418 F HA 0.349 4.870 4.527 -0.010 0.000 0.328 418 F C -2.780 172.986 175.800 -0.058 0.000 1.407 418 F CA -2.826 55.134 58.000 -0.066 0.000 1.145 418 F CB 0.765 39.718 39.000 -0.077 0.000 1.440 418 F HN -0.060 nan 8.300 nan 0.000 0.580 419 P HA 0.212 nan 4.420 nan 0.000 0.268 419 P C 1.024 178.344 177.300 0.035 0.000 1.204 419 P CA 0.862 63.975 63.100 0.022 0.000 0.768 419 P CB 0.997 32.691 31.700 -0.009 0.000 0.842 420 G N 2.223 111.036 108.800 0.021 0.000 2.212 420 G HA2 -0.251 3.703 3.960 -0.010 0.000 0.266 420 G HA3 -0.251 3.703 3.960 -0.010 0.000 0.266 420 G C 0.330 175.240 174.900 0.016 0.000 0.978 420 G CA 0.121 45.229 45.100 0.014 0.000 0.632 420 G HN 0.624 nan 8.290 nan 0.000 0.537 421 D N 1.357 121.775 120.400 0.029 0.000 2.508 421 D HA 0.373 5.007 4.640 -0.010 0.000 0.224 421 D C 2.060 178.352 176.300 -0.013 0.000 1.171 421 D CA 0.392 54.396 54.000 0.006 0.000 1.006 421 D CB 0.400 41.203 40.800 0.004 0.000 1.073 421 D HN 0.603 nan 8.370 nan 0.000 0.513 422 V N 0.758 120.666 119.914 -0.011 0.000 2.548 422 V HA -0.110 4.004 4.120 -0.010 0.000 0.249 422 V C 1.749 177.833 176.094 -0.016 0.000 1.055 422 V CA 1.402 63.696 62.300 -0.011 0.000 1.065 422 V CB -0.396 31.424 31.823 -0.005 0.000 0.681 422 V HN 0.203 nan 8.190 nan 0.000 0.462 423 D N 0.426 120.813 120.400 -0.022 0.000 2.183 423 D HA -0.143 4.492 4.640 -0.010 0.000 0.203 423 D C 2.328 178.604 176.300 -0.039 0.000 0.969 423 D CA 1.199 55.187 54.000 -0.021 0.000 0.842 423 D CB -0.200 40.588 40.800 -0.020 0.000 0.957 423 D HN 0.429 nan 8.370 nan 0.000 0.484 424 R N -0.090 120.364 120.500 -0.077 0.000 2.091 424 R HA -0.113 4.221 4.340 -0.010 0.000 0.238 424 R C 2.226 178.467 176.300 -0.098 0.000 1.136 424 R CA 0.961 56.982 56.100 -0.132 0.000 0.959 424 R CB -0.265 29.898 30.300 -0.229 0.000 0.856 424 R HN 0.257 nan 8.270 nan 0.000 0.437 425 L N 0.188 121.376 121.223 -0.058 0.000 2.012 425 L HA -0.213 4.121 4.340 -0.010 0.000 0.210 425 L C 2.926 179.806 176.870 0.016 0.000 1.073 425 L CA 1.739 56.564 54.840 -0.025 0.000 0.748 425 L CB -0.581 41.471 42.059 -0.013 0.000 0.891 425 L HN 0.296 nan 8.230 nan 0.000 0.431 426 R N 0.463 120.976 120.500 0.021 0.000 2.091 426 R HA -0.165 4.169 4.340 -0.010 0.000 0.238 426 R C 2.446 178.798 176.300 0.085 0.000 1.136 426 R CA 1.483 57.614 56.100 0.052 0.000 0.959 426 R CB -0.084 30.239 30.300 0.039 0.000 0.856 426 R HN 0.312 nan 8.270 nan 0.000 0.437 427 R N -0.426 120.109 120.500 0.059 0.000 2.115 427 R HA -0.028 4.306 4.340 -0.010 0.000 0.230 427 R C 2.091 178.483 176.300 0.154 0.000 1.111 427 R CA 1.473 57.635 56.100 0.103 0.000 0.976 427 R CB -0.056 30.268 30.300 0.041 0.000 0.870 427 R HN 0.331 nan 8.270 nan 0.000 0.445 428 M N 0.026 119.649 119.600 0.038 0.000 2.509 428 M HA 0.058 4.532 4.480 -0.010 0.000 0.250 428 M C 0.821 177.275 176.300 0.257 0.000 1.132 428 M CA -0.048 55.225 55.300 -0.045 0.000 1.080 428 M CB 0.547 32.972 32.600 -0.291 0.000 1.408 428 M HN -0.083 nan 8.290 nan 0.000 0.484 429 S N 1.121 116.983 115.700 0.270 0.000 2.563 429 S HA 0.062 4.526 4.470 -0.010 0.000 0.284 429 S C 1.147 175.993 174.600 0.411 0.000 1.331 429 S CA -0.243 58.138 58.200 0.301 0.000 1.047 429 S CB 0.579 63.902 63.200 0.205 0.000 0.859 429 S HN 0.375 nan 8.310 nan 0.000 0.514 430 L N 3.884 125.301 121.223 0.322 0.000 2.313 430 L HA 0.108 4.442 4.340 -0.010 0.000 0.214 430 L C 0.301 177.277 176.870 0.176 0.000 1.119 430 L CA 0.285 55.276 54.840 0.252 0.000 0.809 430 L CB -0.461 41.690 42.059 0.154 0.000 0.933 430 L HN 0.397 nan 8.230 nan 0.000 0.449 431 V N 0.922 120.952 119.914 0.192 0.000 2.383 431 V HA 0.164 4.278 4.120 -0.010 0.000 0.275 431 V C 0.123 176.302 176.094 0.141 0.000 1.036 431 V CA -0.583 61.818 62.300 0.169 0.000 0.889 431 V CB 1.339 33.292 31.823 0.216 0.000 0.985 431 V HN 0.178 nan 8.190 nan 0.000 0.459 432 E N 3.228 123.491 120.200 0.105 0.000 2.174 432 E HA 0.397 4.741 4.350 -0.010 0.000 0.282 432 E C -0.667 175.983 176.600 0.083 0.000 0.992 432 E CA -0.596 55.856 56.400 0.087 0.000 0.803 432 E CB 1.762 31.494 29.700 0.052 0.000 1.090 432 E HN 0.580 nan 8.360 nan 0.000 0.396 433 E N 0.855 121.101 120.200 0.076 0.000 2.314 433 E HA 0.644 4.988 4.350 -0.010 0.000 0.262 433 E C 0.130 176.765 176.600 0.058 0.000 1.093 433 E CA 0.168 56.608 56.400 0.066 0.000 0.908 433 E CB 1.522 31.255 29.700 0.055 0.000 1.091 433 E HN 0.655 nan 8.360 nan 0.000 0.425 434 G N -0.433 108.400 108.800 0.055 0.000 2.339 434 G HA2 0.290 4.244 3.960 -0.010 0.000 0.275 434 G HA3 0.290 4.244 3.960 -0.010 0.000 0.275 434 G C 0.386 175.318 174.900 0.054 0.000 1.323 434 G CA 0.221 45.351 45.100 0.050 0.000 0.927 434 G HN 0.564 nan 8.290 nan 0.000 0.486 435 A N -0.945 121.905 122.820 0.051 0.000 1.881 435 A HA 0.269 4.583 4.320 -0.010 0.000 0.219 435 A C 1.780 179.405 177.584 0.069 0.000 1.215 435 A CA 3.822 55.890 52.037 0.052 0.000 0.648 435 A CB -1.155 17.874 19.000 0.048 0.000 0.832 435 A HN 2.365 nan 8.150 nan 0.000 0.455 436 V N -2.274 117.692 119.914 0.086 0.000 2.459 436 V HA 0.536 4.650 4.120 -0.010 0.000 0.295 436 V C -0.509 175.653 176.094 0.113 0.000 1.029 436 V CA -1.334 61.040 62.300 0.123 0.000 0.874 436 V CB 1.438 33.362 31.823 0.169 0.000 0.985 436 V HN 0.346 nan 8.190 nan 0.000 0.438 437 K N 4.814 125.289 120.400 0.126 0.000 2.350 437 K HA 0.492 4.806 4.320 -0.010 0.000 0.279 437 K C -0.386 176.279 176.600 0.108 0.000 1.027 437 K CA -0.202 56.155 56.287 0.116 0.000 0.969 437 K CB 0.966 33.547 32.500 0.135 0.000 0.954 437 K HN 0.753 nan 8.250 nan 0.000 0.474 438 R N 1.468 122.021 120.500 0.088 0.000 2.837 438 R HA 0.484 4.818 4.340 -0.010 0.000 0.271 438 R C -0.523 175.813 176.300 0.060 0.000 0.993 438 R CA -1.040 55.100 56.100 0.067 0.000 0.931 438 R CB 1.296 31.617 30.300 0.035 0.000 1.206 438 R HN 0.378 nan 8.270 nan 0.000 0.474 439 I N 1.894 122.495 120.570 0.052 0.000 2.336 439 I HA 0.154 4.318 4.170 -0.010 0.000 0.292 439 I C -0.118 175.981 176.117 -0.030 0.000 0.991 439 I CA -0.706 60.613 61.300 0.030 0.000 1.227 439 I CB 1.067 39.085 38.000 0.030 0.000 1.366 439 I HN 0.504 nan 8.210 nan 0.000 0.466 440 N N 7.059 125.712 118.700 -0.078 0.000 2.402 440 N HA 0.101 4.835 4.740 -0.010 0.000 0.252 440 N C 0.764 176.174 175.510 -0.166 0.000 1.118 440 N CA -0.309 52.616 53.050 -0.209 0.000 0.945 440 N CB 1.008 39.233 38.487 -0.436 0.000 1.147 440 N HN 0.384 nan 8.380 nan 0.000 0.495 441 M N 2.465 121.967 119.600 -0.163 0.000 2.319 441 M HA -0.027 4.447 4.480 -0.010 0.000 0.265 441 M C 1.907 178.071 176.300 -0.226 0.000 1.068 441 M CA 0.605 55.829 55.300 -0.126 0.000 1.118 441 M CB -1.500 31.070 32.600 -0.051 0.000 1.395 441 M HN 0.608 nan 8.290 nan 0.000 0.435 442 A N -0.383 122.300 122.820 -0.227 0.000 1.898 442 A HA -0.171 4.143 4.320 -0.010 0.000 0.216 442 A C 1.983 179.363 177.584 -0.340 0.000 1.181 442 A CA 1.459 53.331 52.037 -0.274 0.000 0.620 442 A CB -1.113 17.920 19.000 0.054 0.000 0.819 442 A HN 0.592 nan 8.150 nan 0.000 0.442 443 H N -1.512 117.359 119.070 -0.332 0.000 2.389 443 H HA -0.089 4.462 4.556 -0.010 0.000 0.299 443 H C 2.093 177.214 175.328 -0.346 0.000 1.081 443 H CA 1.076 56.898 56.048 -0.377 0.000 1.345 443 H CB -0.012 29.733 29.762 -0.029 0.000 1.393 443 H HN 0.442 nan 8.280 nan 0.000 0.520 444 L N 0.644 121.794 121.223 -0.122 0.000 2.046 444 L HA -0.165 4.169 4.340 -0.010 0.000 0.208 444 L C 2.237 178.977 176.870 -0.217 0.000 1.077 444 L CA 1.437 56.198 54.840 -0.131 0.000 0.747 444 L CB -0.713 41.300 42.059 -0.077 0.000 0.896 444 L HN 0.279 nan 8.230 nan 0.000 0.432 445 C N -0.385 118.685 119.300 -0.383 0.000 2.429 445 C HA -0.109 4.345 4.460 -0.010 0.000 0.277 445 C C 2.694 177.431 174.990 -0.421 0.000 1.262 445 C CA 0.953 59.661 59.018 -0.516 0.000 1.733 445 C CB -0.929 26.124 27.740 -1.145 0.000 2.010 445 C HN 0.618 nan 8.230 nan 0.000 0.483 446 I N 1.459 121.736 120.570 -0.488 0.000 2.179 446 I HA -0.195 3.970 4.170 -0.010 0.000 0.242 446 I C 2.765 178.738 176.117 -0.239 0.000 1.088 446 I CA 1.624 62.682 61.300 -0.404 0.000 1.357 446 I CB -0.591 37.019 38.000 -0.650 0.000 1.051 446 I HN 0.259 nan 8.210 nan 0.000 0.409 447 A N 0.587 123.238 122.820 -0.282 0.000 1.908 447 A HA -0.139 4.175 4.320 -0.010 0.000 0.218 447 A C 2.205 179.839 177.584 0.083 0.000 1.181 447 A CA 2.029 53.942 52.037 -0.206 0.000 0.627 447 A CB -1.209 17.491 19.000 -0.500 0.000 0.818 447 A HN 0.492 nan 8.150 nan 0.000 0.445 448 G N -1.319 107.465 108.800 -0.027 0.000 3.337 448 G HA2 0.428 4.382 3.960 -0.010 0.000 0.246 448 G HA3 0.428 4.382 3.960 -0.010 0.000 0.246 448 G C 0.043 174.781 174.900 -0.270 0.000 1.131 448 G CA 0.483 45.445 45.100 -0.230 0.000 0.773 448 G HN 0.340 nan 8.290 nan 0.000 0.544 449 S N -0.194 115.403 115.700 -0.172 0.000 2.513 449 S HA 0.308 4.772 4.470 -0.010 0.000 0.299 449 S C 0.768 175.314 174.600 -0.090 0.000 1.087 449 S CA -0.708 57.415 58.200 -0.127 0.000 1.012 449 S CB 1.274 64.401 63.200 -0.120 0.000 1.044 449 S HN 0.502 nan 8.310 nan 0.000 0.485 450 H N 0.127 119.157 119.070 -0.066 0.000 2.548 450 H HA 0.451 5.001 4.556 -0.010 0.000 0.268 450 H C 0.151 175.464 175.328 -0.025 0.000 0.975 450 H CA 0.356 56.392 56.048 -0.019 0.000 1.195 450 H CB 0.136 29.901 29.762 0.006 0.000 1.397 450 H HN 0.514 nan 8.280 nan 0.000 0.572 451 A N 0.942 123.458 122.820 -0.507 0.000 2.488 451 A HA 0.563 4.877 4.320 -0.010 0.000 0.298 451 A C -1.405 175.979 177.584 -0.333 0.000 1.044 451 A CA -0.580 51.218 52.037 -0.399 0.000 0.693 451 A CB 2.263 20.998 19.000 -0.443 0.000 1.272 451 A HN 0.099 nan 8.150 nan 0.000 0.402 452 V N 4.069 123.755 119.914 -0.380 0.000 2.577 452 V HA 0.529 4.643 4.120 -0.010 0.000 0.303 452 V C -0.804 175.111 176.094 -0.298 0.000 1.042 452 V CA -0.788 61.281 62.300 -0.385 0.000 0.872 452 V CB 1.810 33.247 31.823 -0.643 0.000 0.998 452 V HN 1.015 nan 8.190 nan 0.000 0.423 453 N N 3.144 121.684 118.700 -0.266 0.000 2.240 453 N HA 0.624 5.358 4.740 -0.010 0.000 0.302 453 N C -0.258 175.151 175.510 -0.168 0.000 1.106 453 N CA -0.352 52.584 53.050 -0.190 0.000 0.778 453 N CB 2.916 41.269 38.487 -0.224 0.000 1.431 453 N HN 0.640 nan 8.380 nan 0.000 0.479 454 G N -0.731 108.007 108.800 -0.104 0.000 2.531 454 G HA2 0.434 4.389 3.960 -0.010 0.000 0.313 454 G HA3 0.434 4.389 3.960 -0.010 0.000 0.313 454 G C 0.707 175.671 174.900 0.107 0.000 1.238 454 G CA -0.477 44.616 45.100 -0.011 0.000 0.994 454 G HN 0.638 nan 8.290 nan 0.000 0.493 455 V N -3.873 116.225 119.914 0.307 0.000 3.380 455 V HA 0.703 4.818 4.120 -0.010 0.000 0.307 455 V C 0.527 176.702 176.094 0.135 0.000 1.434 455 V CA 0.382 62.770 62.300 0.145 0.000 1.075 455 V CB -0.705 31.158 31.823 0.066 0.000 0.954 455 V HN 1.354 nan 8.190 nan 0.000 0.444 456 A N -0.076 122.835 122.820 0.152 0.000 2.608 456 A HA 0.643 4.957 4.320 -0.010 0.000 0.292 456 A C 0.678 178.312 177.584 0.084 0.000 1.066 456 A CA -0.113 51.990 52.037 0.109 0.000 0.676 456 A CB 1.182 20.236 19.000 0.089 0.000 1.277 456 A HN 0.005 nan 8.150 nan 0.000 0.413 457 R N 0.629 121.159 120.500 0.049 0.000 2.096 457 R HA -0.151 4.183 4.340 -0.010 0.000 0.240 457 R C 1.657 177.957 176.300 -0.000 0.000 1.139 457 R CA 2.262 58.368 56.100 0.011 0.000 0.952 457 R CB -0.232 30.070 30.300 0.003 0.000 0.854 457 R HN 0.815 nan 8.270 nan 0.000 0.436 458 I N 0.222 120.801 120.570 0.014 0.000 2.286 458 I HA -0.291 3.873 4.170 -0.010 0.000 0.248 458 I C 2.322 178.451 176.117 0.019 0.000 1.115 458 I CA 1.768 63.069 61.300 0.002 0.000 1.392 458 I CB -0.194 37.806 38.000 -0.001 0.000 1.065 458 I HN 0.336 nan 8.210 nan 0.000 0.418 459 H N 0.188 119.231 119.070 -0.045 0.000 2.326 459 H HA -0.100 4.450 4.556 -0.010 0.000 0.301 459 H C 2.274 177.569 175.328 -0.054 0.000 1.081 459 H CA 2.135 58.152 56.048 -0.052 0.000 1.334 459 H CB -0.262 29.475 29.762 -0.041 0.000 1.385 459 H HN 0.216 nan 8.280 nan 0.000 0.504 460 S N 0.482 116.070 115.700 -0.187 0.000 2.400 460 S HA -0.136 4.329 4.470 -0.010 0.000 0.232 460 S C 1.872 176.352 174.600 -0.200 0.000 1.025 460 S CA 1.274 59.341 58.200 -0.222 0.000 0.993 460 S CB -0.083 63.054 63.200 -0.104 0.000 0.808 460 S HN 0.493 nan 8.310 nan 0.000 0.478 461 E N 1.138 121.244 120.200 -0.157 0.000 2.072 461 E HA 0.012 4.356 4.350 -0.010 0.000 0.190 461 E C 2.050 178.538 176.600 -0.187 0.000 0.982 461 E CA 0.608 56.905 56.400 -0.170 0.000 0.803 461 E CB -0.392 29.239 29.700 -0.115 0.000 0.755 461 E HN 0.500 nan 8.360 nan 0.000 0.453 462 I N 1.117 121.594 120.570 -0.157 0.000 2.264 462 I HA -0.288 3.876 4.170 -0.010 0.000 0.248 462 I C 2.417 178.411 176.117 -0.205 0.000 1.111 462 I CA 0.846 62.057 61.300 -0.149 0.000 1.382 462 I CB -0.239 37.706 38.000 -0.091 0.000 1.060 462 I HN 0.064 nan 8.210 nan 0.000 0.418 463 L N 0.387 121.452 121.223 -0.263 0.000 2.042 463 L HA -0.240 4.094 4.340 -0.010 0.000 0.210 463 L C 2.427 179.175 176.870 -0.203 0.000 1.076 463 L CA 1.629 56.324 54.840 -0.241 0.000 0.749 463 L CB -0.574 41.407 42.059 -0.129 0.000 0.893 463 L HN 0.234 nan 8.230 nan 0.000 0.432 464 K N -0.229 119.975 120.400 -0.327 0.000 2.296 464 K HA -0.075 4.239 4.320 -0.010 0.000 0.200 464 K C 1.935 178.333 176.600 -0.337 0.000 1.048 464 K CA 0.713 56.671 56.287 -0.548 0.000 0.966 464 K CB 0.100 31.985 32.500 -1.026 0.000 0.754 464 K HN 0.288 nan 8.250 nan 0.000 0.466 465 K N 0.117 120.376 120.400 -0.235 0.000 2.284 465 K HA -0.009 4.305 4.320 -0.010 0.000 0.198 465 K C 1.894 178.438 176.600 -0.093 0.000 1.048 465 K CA 1.340 57.542 56.287 -0.141 0.000 0.987 465 K CB 0.517 32.942 32.500 -0.125 0.000 0.800 465 K HN 0.235 nan 8.250 nan 0.000 0.486 466 T N -1.200 113.288 114.554 -0.110 0.000 3.257 466 T HA 0.065 4.410 4.350 -0.010 0.000 0.176 466 T C 1.934 176.585 174.700 -0.083 0.000 0.892 466 T CA -0.020 62.028 62.100 -0.086 0.000 1.147 466 T CB -0.758 68.054 68.868 -0.094 0.000 1.840 466 T HN 0.113 nan 8.240 nan 0.000 0.375 467 I N -0.972 119.484 120.570 -0.189 0.000 2.361 467 I HA 0.226 4.391 4.170 -0.010 0.000 0.251 467 I C 1.356 177.414 176.117 -0.098 0.000 1.133 467 I CA 1.342 62.494 61.300 -0.247 0.000 1.413 467 I CB -0.575 37.136 38.000 -0.481 0.000 1.073 467 I HN 0.251 nan 8.210 nan 0.000 0.424 468 F N 0.885 120.901 119.950 0.110 0.000 2.735 468 F HA 0.338 4.860 4.527 -0.010 0.000 0.304 468 F C 1.982 177.868 175.800 0.143 0.000 1.119 468 F CA -0.648 57.485 58.000 0.221 0.000 1.280 468 F CB 0.165 39.292 39.000 0.212 0.000 0.994 468 F HN -0.089 nan 8.300 nan 0.000 0.520 469 K N 1.060 121.574 120.400 0.190 0.000 2.044 469 K HA -0.222 4.093 4.320 -0.010 0.000 0.210 469 K C 1.320 177.983 176.600 0.105 0.000 1.049 469 K CA 2.230 58.574 56.287 0.095 0.000 0.927 469 K CB -0.007 32.513 32.500 0.032 0.000 0.713 469 K HN 0.158 nan 8.250 nan 0.000 0.443 470 D N -0.198 120.245 120.400 0.071 0.000 2.144 470 D HA -0.150 4.485 4.640 -0.010 0.000 0.199 470 D C 1.799 178.020 176.300 -0.132 0.000 0.984 470 D CA 1.197 55.111 54.000 -0.143 0.000 0.834 470 D CB -0.271 40.350 40.800 -0.299 0.000 0.955 470 D HN 0.250 nan 8.370 nan 0.000 0.465 471 F N -0.201 119.830 119.950 0.135 0.000 2.206 471 F HA -0.133 4.388 4.527 -0.010 0.000 0.298 471 F C 2.336 178.288 175.800 0.252 0.000 1.090 471 F CA 0.482 58.639 58.000 0.262 0.000 1.323 471 F CB -0.650 38.576 39.000 0.377 0.000 1.028 471 F HN -0.038 nan 8.300 nan 0.000 0.492 472 Y N 1.392 121.683 120.300 -0.016 0.000 2.224 472 Y HA -0.193 4.351 4.550 -0.010 0.000 0.289 472 Y C 2.100 177.990 175.900 -0.016 0.000 1.146 472 Y CA 1.596 59.505 58.100 -0.319 0.000 1.182 472 Y CB -0.585 37.505 38.460 -0.617 0.000 0.983 472 Y HN 0.136 nan 8.280 nan 0.000 0.524 473 E N -0.383 119.770 120.200 -0.080 0.000 2.106 473 E HA -0.191 4.153 4.350 -0.010 0.000 0.192 473 E C 2.006 178.667 176.600 0.101 0.000 0.984 473 E CA 1.203 57.568 56.400 -0.058 0.000 0.806 473 E CB -0.267 29.433 29.700 -0.001 0.000 0.750 473 E HN 0.438 nan 8.360 nan 0.000 0.458 474 L N 0.986 122.308 121.223 0.167 0.000 2.072 474 L HA -0.064 4.270 4.340 -0.010 0.000 0.205 474 L C 0.244 177.202 176.870 0.146 0.000 1.079 474 L CA 1.671 56.642 54.840 0.218 0.000 0.752 474 L CB 0.356 42.535 42.059 0.200 0.000 0.906 474 L HN -0.093 nan 8.230 nan 0.000 0.436 475 E N -0.210 120.076 120.200 0.143 0.000 3.386 475 E HA 0.180 4.525 4.350 -0.010 0.000 0.236 475 E C -2.011 174.550 176.600 -0.064 0.000 1.227 475 E CA -1.266 55.143 56.400 0.014 0.000 0.970 475 E CB 0.766 30.456 29.700 -0.017 0.000 1.343 475 E HN 0.193 nan 8.360 nan 0.000 0.397 476 P HA -0.243 nan 4.420 nan 0.000 0.218 476 P C 1.079 178.482 177.300 0.172 0.000 1.148 476 P CA 1.495 64.516 63.100 -0.130 0.000 0.822 476 P CB -0.007 31.512 31.700 -0.301 0.000 0.784 477 H N -0.439 118.733 119.070 0.170 0.000 2.489 477 H HA 0.038 4.588 4.556 -0.010 0.000 0.293 477 H C 1.794 177.211 175.328 0.149 0.000 1.066 477 H CA 1.021 57.157 56.048 0.148 0.000 1.305 477 H CB -0.879 28.940 29.762 0.096 0.000 1.386 477 H HN 0.093 nan 8.280 nan 0.000 0.551 478 K N 0.052 120.331 120.400 -0.202 0.000 2.217 478 K HA 0.007 4.322 4.320 -0.010 0.000 0.202 478 K C -0.444 176.018 176.600 -0.229 0.000 1.051 478 K CA 0.356 56.512 56.287 -0.219 0.000 0.952 478 K CB 0.077 32.316 32.500 -0.435 0.000 0.736 478 K HN 0.219 nan 8.250 nan 0.000 0.453 479 F N 1.730 121.704 119.950 0.040 0.000 2.420 479 F HA 0.177 4.698 4.527 -0.010 0.000 0.352 479 F C 0.494 176.297 175.800 0.005 0.000 1.108 479 F CA -0.228 57.799 58.000 0.045 0.000 1.162 479 F CB 0.984 40.068 39.000 0.141 0.000 1.118 479 F HN -0.111 nan 8.300 nan 0.000 0.510 480 Q N 1.770 121.603 119.800 0.056 0.000 2.528 480 Q HA 0.346 4.680 4.340 -0.010 0.000 0.289 480 Q C -1.161 174.803 176.000 -0.060 0.000 1.091 480 Q CA -1.248 54.541 55.803 -0.024 0.000 0.797 480 Q CB 3.090 31.759 28.738 -0.114 0.000 1.466 480 Q HN 0.617 nan 8.270 nan 0.000 0.436 481 N N 0.760 119.408 118.700 -0.087 0.000 2.321 481 N HA 0.261 4.996 4.740 -0.010 0.000 0.299 481 N C -1.415 174.001 175.510 -0.158 0.000 1.048 481 N CA -0.390 52.604 53.050 -0.094 0.000 0.836 481 N CB 0.950 39.404 38.487 -0.057 0.000 1.269 481 N HN 0.271 nan 8.380 nan 0.000 0.486 482 K N 2.784 123.089 120.400 -0.158 0.000 2.675 482 K HA 0.193 4.507 4.320 -0.010 0.000 0.224 482 K C -0.882 175.725 176.600 0.012 0.000 1.003 482 K CA -0.502 55.672 56.287 -0.190 0.000 1.034 482 K CB 1.300 33.470 32.500 -0.550 0.000 1.218 482 K HN 0.536 nan 8.250 nan 0.000 0.507 483 T N 2.109 116.689 114.554 0.044 0.000 2.928 483 T HA 0.050 4.394 4.350 -0.010 0.000 0.305 483 T C 0.796 175.623 174.700 0.212 0.000 1.035 483 T CA 0.323 62.501 62.100 0.128 0.000 1.145 483 T CB 0.323 69.271 68.868 0.134 0.000 0.963 483 T HN 0.366 nan 8.240 nan 0.000 0.545 484 N N 0.496 119.343 118.700 0.245 0.000 2.297 484 N HA 0.419 5.154 4.740 -0.010 0.000 0.232 484 N C 0.465 176.164 175.510 0.315 0.000 1.311 484 N CA -0.189 53.041 53.050 0.300 0.000 0.897 484 N CB 0.401 39.005 38.487 0.194 0.000 1.137 484 N HN 0.762 nan 8.380 nan 0.000 0.449 485 G N -0.657 108.339 108.800 0.327 0.000 2.645 485 G HA2 0.600 4.554 3.960 -0.010 0.000 0.292 485 G HA3 0.600 4.554 3.960 -0.010 0.000 0.292 485 G C -1.416 173.621 174.900 0.229 0.000 1.415 485 G CA -0.729 44.547 45.100 0.293 0.000 0.785 485 G HN 0.599 nan 8.290 nan 0.000 0.483 486 I N -2.446 118.242 120.570 0.197 0.000 2.934 486 I HA 0.759 4.923 4.170 -0.010 0.000 0.306 486 I C -0.305 175.969 176.117 0.261 0.000 1.110 486 I CA -0.944 60.465 61.300 0.181 0.000 1.019 486 I CB 2.441 40.441 38.000 -0.001 0.000 1.227 486 I HN 0.500 nan 8.210 nan 0.000 0.434 487 T N 4.004 118.768 114.554 0.349 0.000 2.794 487 T HA 0.371 4.715 4.350 -0.010 0.000 0.296 487 T C -1.487 173.336 174.700 0.205 0.000 0.949 487 T CA -1.627 60.607 62.100 0.223 0.000 1.101 487 T CB 0.767 69.715 68.868 0.134 0.000 0.905 487 T HN 0.626 nan 8.240 nan 0.000 0.516 488 P HA 0.069 nan 4.420 nan 0.000 0.237 488 P C 1.065 178.336 177.300 -0.047 0.000 1.178 488 P CA 0.273 63.414 63.100 0.068 0.000 0.766 488 P CB 0.349 32.077 31.700 0.045 0.000 0.876 489 R N 0.428 120.855 120.500 -0.122 0.000 2.056 489 R HA 0.009 4.343 4.340 -0.010 0.000 0.227 489 R C 2.665 178.848 176.300 -0.195 0.000 1.149 489 R CA 1.530 57.517 56.100 -0.188 0.000 0.937 489 R CB -1.201 28.989 30.300 -0.183 0.000 0.835 489 R HN 0.040 nan 8.270 nan 0.000 0.430 490 R N -0.794 119.532 120.500 -0.290 0.000 2.081 490 R HA -0.129 4.206 4.340 -0.010 0.000 0.235 490 R C 0.989 176.931 176.300 -0.597 0.000 1.131 490 R CA 1.725 57.486 56.100 -0.566 0.000 0.960 490 R CB -0.146 29.607 30.300 -0.912 0.000 0.856 490 R HN 0.302 nan 8.270 nan 0.000 0.436 491 W N -0.534 120.724 121.300 -0.070 0.000 3.330 491 W HA 0.186 4.840 4.660 -0.011 0.000 0.348 491 W C 0.910 177.399 176.519 -0.050 0.000 1.205 491 W CA -0.709 56.593 57.345 -0.072 0.000 1.841 491 W CB 0.461 29.882 29.460 -0.065 0.000 1.084 491 W HN 0.208 nan 8.180 nan 0.000 0.665 492 L N -2.153 119.124 121.223 0.091 0.000 2.511 492 L HA 0.203 4.537 4.340 -0.010 0.000 0.173 492 L C 1.744 178.629 176.870 0.024 0.000 1.160 492 L CA 0.801 55.688 54.840 0.078 0.000 0.964 492 L CB -0.785 41.348 42.059 0.123 0.000 1.892 492 L HN -0.244 nan 8.230 nan 0.000 0.497 493 V N 0.912 120.818 119.914 -0.013 0.000 2.343 493 V HA -0.246 3.868 4.120 -0.010 0.000 0.247 493 V C 2.418 178.484 176.094 -0.047 0.000 1.051 493 V CA 2.371 64.655 62.300 -0.026 0.000 1.036 493 V CB -0.558 31.223 31.823 -0.069 0.000 0.654 493 V HN 0.485 nan 8.190 nan 0.000 0.451 494 L N 0.459 121.624 121.223 -0.097 0.000 2.023 494 L HA -0.179 4.156 4.340 -0.010 0.000 0.205 494 L C 2.494 179.298 176.870 -0.111 0.000 1.073 494 L CA 2.365 57.130 54.840 -0.123 0.000 0.745 494 L CB -0.250 41.685 42.059 -0.206 0.000 0.900 494 L HN 0.644 nan 8.230 nan 0.000 0.435 495 C N -1.828 117.400 119.300 -0.120 0.000 2.563 495 C HA 0.202 4.656 4.460 -0.010 0.000 0.268 495 C C 1.199 176.168 174.990 -0.034 0.000 1.365 495 C CA -0.284 58.680 59.018 -0.089 0.000 1.754 495 C CB -0.995 26.689 27.740 -0.093 0.000 1.932 495 C HN 0.588 nan 8.230 nan 0.000 0.536 496 N N 1.148 119.840 118.700 -0.014 0.000 2.703 496 N HA 0.284 5.018 4.740 -0.010 0.000 0.283 496 N C -1.775 173.744 175.510 0.016 0.000 1.851 496 N CA -1.573 51.481 53.050 0.007 0.000 0.826 496 N CB 0.740 39.240 38.487 0.021 0.000 1.239 496 N HN 0.245 nan 8.380 nan 0.000 0.495 497 P HA -0.041 nan 4.420 nan 0.000 0.218 497 P C 1.423 178.738 177.300 0.025 0.000 1.149 497 P CA 0.891 64.001 63.100 0.016 0.000 0.817 497 P CB 0.213 31.916 31.700 0.004 0.000 0.785 498 G N 0.613 109.423 108.800 0.017 0.000 2.440 498 G HA2 -0.256 3.698 3.960 -0.010 0.000 0.218 498 G HA3 -0.256 3.698 3.960 -0.010 0.000 0.218 498 G C 1.525 176.436 174.900 0.018 0.000 1.154 498 G CA 0.724 45.832 45.100 0.013 0.000 0.767 498 G HN 0.258 nan 8.290 nan 0.000 0.552 499 L N 1.078 122.314 121.223 0.021 0.000 2.072 499 L HA 0.328 4.662 4.340 -0.010 0.000 0.205 499 L C 3.065 179.971 176.870 0.059 0.000 1.079 499 L CA 1.890 56.744 54.840 0.023 0.000 0.752 499 L CB -0.668 41.402 42.059 0.019 0.000 0.906 499 L HN 0.218 nan 8.230 nan 0.000 0.436 500 A N -0.736 122.138 122.820 0.090 0.000 1.940 500 A HA -0.258 4.056 4.320 -0.010 0.000 0.219 500 A C 2.237 179.921 177.584 0.167 0.000 1.176 500 A CA 1.881 54.023 52.037 0.175 0.000 0.631 500 A CB -0.625 18.468 19.000 0.155 0.000 0.814 500 A HN 0.538 nan 8.150 nan 0.000 0.446 501 E N 0.581 120.839 120.200 0.098 0.000 2.046 501 E HA -0.135 4.209 4.350 -0.010 0.000 0.190 501 E C 1.864 178.506 176.600 0.070 0.000 0.982 501 E CA 1.467 57.914 56.400 0.078 0.000 0.800 501 E CB -0.502 29.226 29.700 0.046 0.000 0.756 501 E HN 0.731 nan 8.360 nan 0.000 0.449 502 I N -1.562 119.046 120.570 0.064 0.000 2.361 502 I HA -0.158 4.007 4.170 -0.010 0.000 0.251 502 I C 2.126 178.315 176.117 0.120 0.000 1.133 502 I CA 1.177 62.529 61.300 0.088 0.000 1.413 502 I CB -0.372 37.672 38.000 0.074 0.000 1.073 502 I HN 0.019 nan 8.210 nan 0.000 0.424 503 I N 1.991 122.612 120.570 0.084 0.000 2.202 503 I HA -0.200 3.964 4.170 -0.010 0.000 0.242 503 I C 3.011 179.087 176.117 -0.068 0.000 1.091 503 I CA 1.379 62.651 61.300 -0.046 0.000 1.368 503 I CB -0.518 37.344 38.000 -0.229 0.000 1.058 503 I HN 0.308 nan 8.210 nan 0.000 0.410 504 A N 0.376 123.250 122.820 0.091 0.000 1.972 504 A HA -0.212 4.103 4.320 -0.010 0.000 0.219 504 A C 2.149 179.765 177.584 0.053 0.000 1.169 504 A CA 1.475 53.611 52.037 0.165 0.000 0.635 504 A CB -0.587 18.538 19.000 0.209 0.000 0.810 504 A HN 0.445 nan 8.150 nan 0.000 0.446 505 E N -0.775 119.435 120.200 0.018 0.000 2.171 505 E HA -0.230 4.114 4.350 -0.010 0.000 0.197 505 E C 2.172 178.735 176.600 -0.062 0.000 0.997 505 E CA 1.406 57.800 56.400 -0.011 0.000 0.810 505 E CB -0.085 29.612 29.700 -0.005 0.000 0.738 505 E HN 0.582 nan 8.360 nan 0.000 0.467 506 R N -0.254 120.157 120.500 -0.148 0.000 2.167 506 R HA 0.160 4.494 4.340 -0.010 0.000 0.201 506 R C 2.166 178.393 176.300 -0.121 0.000 1.024 506 R CA 0.623 56.572 56.100 -0.252 0.000 1.053 506 R CB 0.329 30.188 30.300 -0.734 0.000 0.987 506 R HN 0.211 nan 8.270 nan 0.000 0.493 507 I N -3.472 117.044 120.570 -0.089 0.000 4.154 507 I HA 0.496 4.660 4.170 -0.010 0.000 0.334 507 I C 0.430 176.591 176.117 0.074 0.000 1.371 507 I CA -0.075 61.223 61.300 -0.003 0.000 1.110 507 I CB 0.923 38.906 38.000 -0.028 0.000 1.085 507 I HN 0.169 nan 8.210 nan 0.000 0.398 508 G N 2.118 110.971 108.800 0.089 0.000 2.698 508 G HA2 -0.214 3.740 3.960 -0.010 0.000 0.225 508 G HA3 -0.214 3.740 3.960 -0.010 0.000 0.225 508 G C -0.047 174.978 174.900 0.208 0.000 1.345 508 G CA 0.181 45.350 45.100 0.116 0.000 0.871 508 G HN 0.425 nan 8.290 nan 0.000 0.540 509 E N -0.438 119.830 120.200 0.113 0.000 2.476 509 E HA 0.071 4.416 4.350 -0.010 0.000 0.199 509 E C 1.791 178.325 176.600 -0.111 0.000 1.021 509 E CA -0.065 56.337 56.400 0.003 0.000 0.907 509 E CB 0.317 30.019 29.700 0.003 0.000 0.974 509 E HN 0.452 nan 8.360 nan 0.000 0.489 510 E N 0.580 120.790 120.200 0.017 0.000 2.338 510 E HA -0.159 4.186 4.350 -0.010 0.000 0.197 510 E C 1.645 178.235 176.600 -0.017 0.000 1.007 510 E CA 0.703 57.108 56.400 0.009 0.000 0.849 510 E CB 0.052 29.783 29.700 0.052 0.000 0.774 510 E HN 0.498 nan 8.360 nan 0.000 0.506 511 Y N -1.168 119.137 120.300 0.009 0.000 2.421 511 Y HA -0.029 4.516 4.550 -0.008 0.000 0.292 511 Y C 1.968 177.847 175.900 -0.034 0.000 1.136 511 Y CA 0.576 58.673 58.100 -0.005 0.000 1.255 511 Y CB -0.779 37.681 38.460 0.001 0.000 0.991 511 Y HN -0.100 nan 8.280 nan 0.000 0.552 512 I N 0.996 121.094 120.570 -0.787 0.000 2.335 512 I HA -0.244 3.920 4.170 -0.010 0.000 0.251 512 I C 1.647 177.517 176.117 -0.412 0.000 1.129 512 I CA 1.861 62.758 61.300 -0.671 0.000 1.402 512 I CB -0.377 37.137 38.000 -0.810 0.000 1.069 512 I HN 0.482 nan 8.210 nan 0.000 0.424 513 S N -2.064 113.497 115.700 -0.232 0.000 2.663 513 S HA 0.192 4.656 4.470 -0.010 0.000 0.243 513 S C 0.094 174.680 174.600 -0.023 0.000 1.009 513 S CA -0.518 57.621 58.200 -0.101 0.000 0.988 513 S CB 0.299 63.502 63.200 0.006 0.000 0.896 513 S HN 0.274 nan 8.310 nan 0.000 0.502 514 D N 0.751 121.147 120.400 -0.007 0.000 2.823 514 D HA 0.235 4.870 4.640 -0.010 0.000 0.255 514 D C 0.358 176.701 176.300 0.071 0.000 1.257 514 D CA -0.383 53.636 54.000 0.032 0.000 0.803 514 D CB 0.450 41.273 40.800 0.037 0.000 1.384 514 D HN 0.121 nan 8.370 nan 0.000 0.541 515 L N 1.204 122.469 121.223 0.071 0.000 2.265 515 L HA -0.003 4.331 4.340 -0.010 0.000 0.215 515 L C 1.441 178.363 176.870 0.087 0.000 1.117 515 L CA 1.519 56.430 54.840 0.117 0.000 0.782 515 L CB -0.088 42.033 42.059 0.104 0.000 0.914 515 L HN 0.262 nan 8.230 nan 0.000 0.441 516 D N -0.656 119.771 120.400 0.046 0.000 2.265 516 D HA -0.226 4.409 4.640 -0.010 0.000 0.208 516 D C 1.891 178.211 176.300 0.034 0.000 0.977 516 D CA 0.859 54.872 54.000 0.021 0.000 0.871 516 D CB 0.065 40.865 40.800 0.001 0.000 0.925 516 D HN 0.568 nan 8.370 nan 0.000 0.485 517 Q N -0.078 119.761 119.800 0.065 0.000 2.364 517 Q HA -0.040 4.294 4.340 -0.010 0.000 0.207 517 Q C 2.304 178.323 176.000 0.032 0.000 0.970 517 Q CA 0.240 56.082 55.803 0.066 0.000 0.888 517 Q CB 0.036 28.844 28.738 0.117 0.000 0.951 517 Q HN 0.400 nan 8.270 nan 0.000 0.469 518 L N 0.213 121.447 121.223 0.018 0.000 2.349 518 L HA -0.187 4.147 4.340 -0.010 0.000 0.220 518 L C 2.295 179.161 176.870 -0.007 0.000 1.130 518 L CA 0.826 55.643 54.840 -0.038 0.000 0.791 518 L CB -0.387 41.657 42.059 -0.024 0.000 0.918 518 L HN 0.211 nan 8.230 nan 0.000 0.444 519 R N 0.521 121.027 120.500 0.009 0.000 2.127 519 R HA -0.191 4.143 4.340 -0.010 0.000 0.238 519 R C 2.105 178.410 176.300 0.010 0.000 1.134 519 R CA 1.220 57.327 56.100 0.011 0.000 0.975 519 R CB -0.250 30.052 30.300 0.005 0.000 0.865 519 R HN 0.405 nan 8.270 nan 0.000 0.447 520 K N 0.594 121.000 120.400 0.010 0.000 2.281 520 K HA -0.121 4.194 4.320 -0.010 0.000 0.203 520 K C 1.836 178.471 176.600 0.058 0.000 1.046 520 K CA 0.898 57.197 56.287 0.020 0.000 0.938 520 K CB -0.111 32.408 32.500 0.031 0.000 0.737 520 K HN 0.219 nan 8.250 nan 0.000 0.458 521 L N 0.436 121.687 121.223 0.045 0.000 2.465 521 L HA -0.117 4.217 4.340 -0.010 0.000 0.224 521 L C 1.730 178.668 176.870 0.114 0.000 1.145 521 L CA 0.017 54.908 54.840 0.085 0.000 0.834 521 L CB -0.209 41.865 42.059 0.025 0.000 0.944 521 L HN 0.131 nan 8.230 nan 0.000 0.451 522 L N 0.022 121.277 121.223 0.053 0.000 2.191 522 L HA -0.156 4.179 4.340 -0.010 0.000 0.212 522 L C 2.681 179.538 176.870 -0.020 0.000 1.103 522 L CA 1.812 56.670 54.840 0.031 0.000 0.769 522 L CB -0.967 41.098 42.059 0.009 0.000 0.908 522 L HN 0.349 nan 8.230 nan 0.000 0.438 523 S N -2.574 113.063 115.700 -0.105 0.000 2.603 523 S HA -0.090 4.374 4.470 -0.010 0.000 0.229 523 S C 1.183 175.510 174.600 -0.455 0.000 0.972 523 S CA 0.311 58.346 58.200 -0.275 0.000 0.935 523 S CB -0.534 62.455 63.200 -0.352 0.000 0.769 523 S HN 0.460 nan 8.310 nan 0.000 0.536 524 Y N -0.611 119.638 120.300 -0.086 0.000 2.557 524 Y HA 0.436 4.984 4.550 -0.003 0.000 0.247 524 Y C 1.886 177.839 175.900 0.087 0.000 1.164 524 Y CA -0.621 57.432 58.100 -0.078 0.000 1.218 524 Y CB 0.201 38.429 38.460 -0.387 0.000 1.210 524 Y HN 0.253 nan 8.280 nan 0.000 0.529 525 V N 0.408 120.421 119.914 0.166 0.000 2.759 525 V HA -0.201 3.913 4.120 -0.010 0.000 0.256 525 V C 0.967 177.133 176.094 0.119 0.000 1.080 525 V CA 2.189 64.582 62.300 0.155 0.000 1.101 525 V CB -0.006 31.871 31.823 0.089 0.000 0.698 525 V HN 0.341 nan 8.190 nan 0.000 0.477 526 D N -0.646 119.804 120.400 0.085 0.000 2.363 526 D HA 0.104 4.739 4.640 -0.010 0.000 0.214 526 D C 0.346 176.696 176.300 0.084 0.000 1.093 526 D CA 0.004 54.043 54.000 0.064 0.000 0.837 526 D CB 0.133 40.949 40.800 0.025 0.000 0.948 526 D HN 0.431 nan 8.370 nan 0.000 0.507 527 D N 1.408 121.896 120.400 0.146 0.000 2.336 527 D HA -0.009 4.625 4.640 -0.010 0.000 0.249 527 D C 1.063 177.470 176.300 0.178 0.000 1.213 527 D CA -0.039 54.070 54.000 0.181 0.000 0.870 527 D CB 1.619 42.606 40.800 0.312 0.000 1.076 527 D HN -0.198 nan 8.370 nan 0.000 0.483 528 E N 2.946 123.215 120.200 0.116 0.000 2.150 528 E HA -0.100 4.245 4.350 -0.010 0.000 0.193 528 E C 1.721 178.375 176.600 0.089 0.000 0.985 528 E CA 1.122 57.573 56.400 0.085 0.000 0.814 528 E CB 0.057 29.790 29.700 0.055 0.000 0.752 528 E HN 0.592 nan 8.360 nan 0.000 0.466 529 A N -0.198 122.692 122.820 0.115 0.000 1.855 529 A HA -0.143 4.171 4.320 -0.010 0.000 0.215 529 A C 2.191 179.859 177.584 0.141 0.000 1.191 529 A CA 1.266 53.368 52.037 0.108 0.000 0.613 529 A CB -0.990 18.076 19.000 0.110 0.000 0.829 529 A HN 0.429 nan 8.150 nan 0.000 0.442 530 F N 0.468 120.430 119.950 0.020 0.000 2.095 530 F HA -0.194 4.327 4.527 -0.009 0.000 0.298 530 F C 2.087 177.890 175.800 0.005 0.000 1.104 530 F CA 1.723 59.719 58.000 -0.008 0.000 1.232 530 F CB -0.146 38.855 39.000 0.001 0.000 0.987 530 F HN 0.173 nan 8.300 nan 0.000 0.475 531 I N 0.202 120.793 120.570 0.035 0.000 2.151 531 I HA -0.389 3.775 4.170 -0.010 0.000 0.243 531 I C 2.595 178.653 176.117 -0.098 0.000 1.080 531 I CA 1.844 63.110 61.300 -0.056 0.000 1.339 531 I CB -0.544 37.472 38.000 0.027 0.000 1.039 531 I HN 0.120 nan 8.210 nan 0.000 0.409 532 R N 0.770 121.240 120.500 -0.050 0.000 2.081 532 R HA -0.186 4.148 4.340 -0.010 0.000 0.235 532 R C 1.883 178.132 176.300 -0.086 0.000 1.131 532 R CA 1.860 57.929 56.100 -0.051 0.000 0.960 532 R CB -0.123 30.166 30.300 -0.018 0.000 0.856 532 R HN 0.295 nan 8.270 nan 0.000 0.436 533 D N -0.206 120.125 120.400 -0.114 0.000 2.097 533 D HA -0.121 4.513 4.640 -0.010 0.000 0.197 533 D C 1.967 178.142 176.300 -0.208 0.000 0.984 533 D CA 1.253 55.174 54.000 -0.132 0.000 0.826 533 D CB -0.232 40.510 40.800 -0.096 0.000 0.973 533 D HN 0.067 nan 8.370 nan 0.000 0.460 534 V N 1.579 121.267 119.914 -0.377 0.000 2.282 534 V HA -0.284 3.830 4.120 -0.010 0.000 0.249 534 V C 2.539 178.536 176.094 -0.163 0.000 1.057 534 V CA 2.049 64.141 62.300 -0.346 0.000 1.032 534 V CB -0.880 30.652 31.823 -0.485 0.000 0.645 534 V HN 0.201 nan 8.190 nan 0.000 0.447 535 A N -0.598 122.147 122.820 -0.126 0.000 1.933 535 A HA -0.258 4.056 4.320 -0.010 0.000 0.218 535 A C 2.356 179.900 177.584 -0.066 0.000 1.175 535 A CA 2.120 54.116 52.037 -0.068 0.000 0.628 535 A CB -0.483 18.481 19.000 -0.059 0.000 0.814 535 A HN 0.547 nan 8.150 nan 0.000 0.444 536 K N -0.223 120.134 120.400 -0.072 0.000 2.057 536 K HA -0.087 4.227 4.320 -0.010 0.000 0.207 536 K C 1.818 178.390 176.600 -0.046 0.000 1.049 536 K CA 1.575 57.830 56.287 -0.054 0.000 0.931 536 K CB -0.262 32.209 32.500 -0.048 0.000 0.714 536 K HN 0.228 nan 8.250 nan 0.000 0.440 537 V N 1.722 121.604 119.914 -0.054 0.000 2.343 537 V HA -0.247 3.867 4.120 -0.010 0.000 0.247 537 V C 2.385 178.463 176.094 -0.026 0.000 1.051 537 V CA 1.992 64.270 62.300 -0.037 0.000 1.036 537 V CB -0.474 31.322 31.823 -0.045 0.000 0.654 537 V HN 0.350 nan 8.190 nan 0.000 0.451 538 K N 0.436 120.818 120.400 -0.030 0.000 2.026 538 K HA -0.232 4.083 4.320 -0.010 0.000 0.208 538 K C 2.190 178.761 176.600 -0.047 0.000 1.048 538 K CA 1.839 58.113 56.287 -0.021 0.000 0.929 538 K CB -0.564 31.938 32.500 0.003 0.000 0.713 538 K HN 0.369 nan 8.250 nan 0.000 0.439 539 Q N 1.020 120.785 119.800 -0.058 0.000 2.096 539 Q HA -0.144 4.190 4.340 -0.010 0.000 0.204 539 Q C 1.753 177.730 176.000 -0.037 0.000 0.982 539 Q CA 2.109 57.870 55.803 -0.070 0.000 0.850 539 Q CB -0.153 28.547 28.738 -0.062 0.000 0.901 539 Q HN 0.510 nan 8.270 nan 0.000 0.422 540 E N -0.510 119.680 120.200 -0.018 0.000 2.058 540 E HA -0.190 4.154 4.350 -0.010 0.000 0.194 540 E C 1.799 178.417 176.600 0.031 0.000 0.997 540 E CA 1.111 57.515 56.400 0.006 0.000 0.801 540 E CB -0.122 29.580 29.700 0.004 0.000 0.746 540 E HN 0.404 nan 8.360 nan 0.000 0.450 541 N N 0.884 119.599 118.700 0.026 0.000 2.120 541 N HA -0.142 4.592 4.740 -0.010 0.000 0.188 541 N C 1.518 177.099 175.510 0.117 0.000 1.024 541 N CA 1.097 54.182 53.050 0.059 0.000 0.852 541 N CB -0.100 38.406 38.487 0.033 0.000 1.003 541 N HN 0.138 nan 8.380 nan 0.000 0.424 542 K N 0.487 120.918 120.400 0.052 0.000 2.097 542 K HA 0.033 4.347 4.320 -0.010 0.000 0.205 542 K C 2.098 178.813 176.600 0.193 0.000 1.050 542 K CA 0.582 56.911 56.287 0.069 0.000 0.938 542 K CB -0.101 32.182 32.500 -0.362 0.000 0.718 542 K HN 0.112 nan 8.250 nan 0.000 0.442 543 L N 1.146 122.430 121.223 0.102 0.000 2.027 543 L HA -0.184 4.150 4.340 -0.010 0.000 0.206 543 L C 2.616 179.570 176.870 0.141 0.000 1.074 543 L CA 1.281 56.185 54.840 0.107 0.000 0.745 543 L CB -0.332 41.761 42.059 0.055 0.000 0.898 543 L HN 0.159 nan 8.230 nan 0.000 0.433 544 K N -0.202 120.286 120.400 0.146 0.000 2.063 544 K HA -0.250 4.065 4.320 -0.010 0.000 0.208 544 K C 2.190 178.931 176.600 0.236 0.000 1.048 544 K CA 1.737 58.119 56.287 0.159 0.000 0.928 544 K CB -0.175 32.407 32.500 0.136 0.000 0.713 544 K HN 0.085 nan 8.250 nan 0.000 0.442 545 F N 1.040 121.081 119.950 0.153 0.000 2.206 545 F HA -0.015 4.506 4.527 -0.010 0.000 0.298 545 F C 2.013 177.958 175.800 0.242 0.000 1.090 545 F CA 1.134 59.250 58.000 0.193 0.000 1.323 545 F CB -0.391 38.725 39.000 0.194 0.000 1.028 545 F HN 0.083 nan 8.300 nan 0.000 0.492 546 A N 0.205 123.175 122.820 0.250 0.000 1.940 546 A HA -0.087 4.227 4.320 -0.010 0.000 0.219 546 A C 2.384 179.975 177.584 0.011 0.000 1.176 546 A CA 1.791 53.904 52.037 0.128 0.000 0.631 546 A CB -1.446 17.691 19.000 0.230 0.000 0.814 546 A HN 0.448 nan 8.150 nan 0.000 0.446 547 A N -1.609 121.238 122.820 0.045 0.000 1.897 547 A HA -0.029 4.285 4.320 -0.010 0.000 0.215 547 A C 2.103 179.680 177.584 -0.012 0.000 1.181 547 A CA 1.455 53.498 52.037 0.009 0.000 0.620 547 A CB -0.787 18.236 19.000 0.040 0.000 0.821 547 A HN 0.736 nan 8.150 nan 0.000 0.443 548 Y N 0.656 120.885 120.300 -0.118 0.000 2.165 548 Y HA -0.211 4.334 4.550 -0.009 0.000 0.286 548 Y C 1.925 177.727 175.900 -0.164 0.000 1.155 548 Y CA 1.936 59.953 58.100 -0.140 0.000 1.164 548 Y CB -0.290 38.078 38.460 -0.154 0.000 0.978 548 Y HN 0.214 nan 8.280 nan 0.000 0.513 549 L N 0.093 121.207 121.223 -0.181 0.000 2.042 549 L HA -0.231 4.103 4.340 -0.010 0.000 0.210 549 L C 2.456 179.251 176.870 -0.125 0.000 1.076 549 L CA 1.810 56.554 54.840 -0.160 0.000 0.749 549 L CB -0.536 41.403 42.059 -0.200 0.000 0.893 549 L HN 0.359 nan 8.230 nan 0.000 0.432 550 E N -0.296 119.815 120.200 -0.147 0.000 2.047 550 E HA -0.189 4.156 4.350 -0.010 0.000 0.191 550 E C 2.321 178.827 176.600 -0.156 0.000 0.987 550 E CA 0.857 57.167 56.400 -0.150 0.000 0.799 550 E CB -0.006 29.574 29.700 -0.200 0.000 0.752 550 E HN 0.448 nan 8.360 nan 0.000 0.449 551 R N 0.810 121.193 120.500 -0.196 0.000 2.075 551 R HA -0.145 4.190 4.340 -0.010 0.000 0.230 551 R C 2.181 178.299 176.300 -0.304 0.000 1.140 551 R CA 1.403 57.376 56.100 -0.212 0.000 0.928 551 R CB -0.116 30.068 30.300 -0.195 0.000 0.834 551 R HN -0.013 nan 8.270 nan 0.000 0.429 552 E N -1.286 118.602 120.200 -0.520 0.000 2.371 552 E HA -0.053 4.292 4.350 -0.010 0.000 0.194 552 E C 0.174 176.233 176.600 -0.902 0.000 1.012 552 E CA 0.857 56.795 56.400 -0.770 0.000 0.860 552 E CB 0.415 29.423 29.700 -1.152 0.000 0.811 552 E HN 0.374 nan 8.360 nan 0.000 0.502 553 Y N -0.688 119.480 120.300 -0.220 0.000 2.767 553 Y HA 0.242 4.786 4.550 -0.010 0.000 0.254 553 Y C -0.146 175.716 175.900 -0.063 0.000 1.133 553 Y CA -0.697 57.336 58.100 -0.113 0.000 1.225 553 Y CB 0.754 39.156 38.460 -0.096 0.000 1.312 553 Y HN -0.271 nan 8.280 nan 0.000 0.560 554 K N 0.508 120.920 120.400 0.020 0.000 3.071 554 K HA -0.144 4.170 4.320 -0.010 0.000 0.262 554 K C -0.471 176.198 176.600 0.115 0.000 0.977 554 K CA 0.900 57.214 56.287 0.045 0.000 0.721 554 K CB -2.269 30.262 32.500 0.052 0.000 1.293 554 K HN 0.285 nan 8.250 nan 0.000 0.475 555 V N -2.481 117.485 119.914 0.087 0.000 2.604 555 V HA 0.475 4.589 4.120 -0.010 0.000 0.305 555 V C 0.352 176.503 176.094 0.094 0.000 1.043 555 V CA -0.886 61.488 62.300 0.124 0.000 0.888 555 V CB 2.220 34.082 31.823 0.065 0.000 0.995 555 V HN 0.270 nan 8.190 nan 0.000 0.429 556 H N 5.220 124.282 119.070 -0.014 0.000 2.552 556 H HA 0.671 5.221 4.556 -0.010 0.000 0.311 556 H C -0.331 174.989 175.328 -0.013 0.000 1.071 556 H CA -0.141 55.903 56.048 -0.008 0.000 1.307 556 H CB 1.986 31.746 29.762 -0.003 0.000 1.416 556 H HN 0.871 nan 8.280 nan 0.000 0.464 557 I N 0.345 120.960 120.570 0.074 0.000 2.892 557 I HA 0.367 4.531 4.170 -0.010 0.000 0.306 557 I C -0.380 175.807 176.117 0.116 0.000 1.078 557 I CA -1.290 60.051 61.300 0.068 0.000 1.032 557 I CB 2.205 40.209 38.000 0.007 0.000 1.229 557 I HN 0.282 nan 8.210 nan 0.000 0.435 558 N N 4.535 123.316 118.700 0.136 0.000 2.437 558 N HA 0.438 5.173 4.740 -0.010 0.000 0.243 558 N C -2.091 173.564 175.510 0.242 0.000 1.041 558 N CA -2.490 50.650 53.050 0.150 0.000 0.940 558 N CB 1.109 39.659 38.487 0.104 0.000 1.133 558 N HN 0.380 nan 8.380 nan 0.000 0.506 559 P HA 0.054 nan 4.420 nan 0.000 0.237 559 P C 0.030 177.322 177.300 -0.014 0.000 1.178 559 P CA 0.873 64.058 63.100 0.141 0.000 0.766 559 P CB 0.156 31.912 31.700 0.092 0.000 0.876 560 N N -0.869 117.857 118.700 0.043 0.000 2.412 560 N HA 0.011 4.746 4.740 -0.010 0.000 0.184 560 N C 0.441 175.985 175.510 0.058 0.000 1.101 560 N CA -0.089 52.976 53.050 0.025 0.000 0.881 560 N CB 0.110 38.622 38.487 0.042 0.000 0.969 560 N HN 0.192 nan 8.380 nan 0.000 0.459 561 S N 0.424 116.174 115.700 0.083 0.000 2.632 561 S HA 0.213 4.677 4.470 -0.010 0.000 0.267 561 S C 0.021 174.594 174.600 -0.044 0.000 1.276 561 S CA -0.844 57.391 58.200 0.058 0.000 0.998 561 S CB 1.336 64.601 63.200 0.108 0.000 0.953 561 S HN 0.158 nan 8.310 nan 0.000 0.547 562 L N 1.954 122.987 121.223 -0.317 0.000 2.410 562 L HA 0.359 4.693 4.340 -0.010 0.000 0.273 562 L C -0.898 175.957 176.870 -0.024 0.000 1.144 562 L CA -0.494 53.977 54.840 -0.615 0.000 0.863 562 L CB -0.189 41.223 42.059 -1.078 0.000 1.140 562 L HN 0.697 nan 8.230 nan 0.000 0.463 563 F N 4.267 124.091 119.950 -0.211 0.000 2.405 563 F HA 0.114 4.636 4.527 -0.008 0.000 0.358 563 F C 0.375 176.117 175.800 -0.098 0.000 1.151 563 F CA -0.829 57.115 58.000 -0.094 0.000 1.161 563 F CB 0.603 39.594 39.000 -0.015 0.000 1.245 563 F HN 0.517 nan 8.300 nan 0.000 0.545 564 D N 4.795 125.205 120.400 0.017 0.000 2.412 564 D HA 0.320 4.954 4.640 -0.010 0.000 0.224 564 D C -1.031 175.219 176.300 -0.083 0.000 1.093 564 D CA -0.177 53.790 54.000 -0.056 0.000 0.850 564 D CB 1.415 42.165 40.800 -0.083 0.000 1.046 564 D HN 0.108 nan 8.370 nan 0.000 0.507 565 V N 4.566 124.413 119.914 -0.113 0.000 2.487 565 V HA 0.372 4.486 4.120 -0.010 0.000 0.298 565 V C -0.220 175.733 176.094 -0.236 0.000 1.028 565 V CA -0.801 61.417 62.300 -0.136 0.000 0.860 565 V CB 1.743 33.560 31.823 -0.010 0.000 0.991 565 V HN 0.523 nan 8.190 nan 0.000 0.427 566 Q N 3.898 123.576 119.800 -0.203 0.000 2.394 566 Q HA 0.637 4.971 4.340 -0.010 0.000 0.261 566 Q C -1.380 174.463 176.000 -0.261 0.000 1.023 566 Q CA -0.457 55.212 55.803 -0.224 0.000 0.720 566 Q CB 1.904 30.539 28.738 -0.173 0.000 1.241 566 Q HN 0.785 nan 8.270 nan 0.000 0.483 567 V N 1.599 121.344 119.914 -0.281 0.000 2.444 567 V HA 0.866 4.980 4.120 -0.010 0.000 0.294 567 V C -0.947 174.887 176.094 -0.434 0.000 1.022 567 V CA -0.552 61.405 62.300 -0.572 0.000 0.850 567 V CB 1.174 32.430 31.823 -0.945 0.000 0.992 567 V HN 0.820 nan 8.190 nan 0.000 0.426 568 K N 2.621 122.808 120.400 -0.355 0.000 3.040 568 K HA 0.447 4.761 4.320 -0.010 0.000 0.300 568 K C -1.226 175.386 176.600 0.019 0.000 1.092 568 K CA -1.211 55.046 56.287 -0.051 0.000 0.831 568 K CB 0.887 33.353 32.500 -0.056 0.000 1.469 568 K HN 0.444 nan 8.250 nan 0.000 0.365 569 R N 0.901 121.479 120.500 0.130 0.000 2.698 569 R HA 0.161 4.495 4.340 -0.010 0.000 0.266 569 R C 0.322 176.670 176.300 0.081 0.000 1.026 569 R CA -0.319 55.873 56.100 0.152 0.000 1.102 569 R CB -0.110 30.350 30.300 0.266 0.000 0.978 569 R HN 0.477 nan 8.270 nan 0.000 0.436 570 I N 4.120 124.670 120.570 -0.033 0.000 2.436 570 I HA 0.113 4.278 4.170 -0.010 0.000 0.289 570 I C 0.270 176.183 176.117 -0.340 0.000 1.083 570 I CA 0.262 61.477 61.300 -0.141 0.000 1.372 570 I CB -0.374 37.543 38.000 -0.138 0.000 1.408 570 I HN 0.433 nan 8.210 nan 0.000 0.516 571 H N 2.931 121.896 119.070 -0.175 0.000 2.930 571 H HA 0.240 4.790 4.556 -0.010 0.000 0.371 571 H C 0.594 175.802 175.328 -0.199 0.000 1.169 571 H CA -0.556 55.425 56.048 -0.112 0.000 1.157 571 H CB 1.830 31.461 29.762 -0.219 0.000 1.789 571 H HN 0.476 nan 8.280 nan 0.000 0.547 572 E N 0.923 121.168 120.200 0.076 0.000 2.085 572 E HA -0.264 4.081 4.350 -0.010 0.000 0.194 572 E C 1.245 177.619 176.600 -0.378 0.000 0.994 572 E CA 1.728 58.115 56.400 -0.023 0.000 0.801 572 E CB -0.026 29.832 29.700 0.262 0.000 0.743 572 E HN 0.668 nan 8.360 nan 0.000 0.453 573 Y N 0.657 120.460 120.300 -0.828 0.000 2.352 573 Y HA -0.030 4.514 4.550 -0.010 0.000 0.292 573 Y C 1.507 177.148 175.900 -0.431 0.000 1.136 573 Y CA 0.853 58.283 58.100 -1.116 0.000 1.227 573 Y CB -0.098 37.696 38.460 -1.109 0.000 0.991 573 Y HN -0.201 nan 8.280 nan 0.000 0.545 574 K N 0.688 120.633 120.400 -0.758 0.000 2.432 574 K HA 0.077 4.391 4.320 -0.010 0.000 0.196 574 K C 0.179 176.616 176.600 -0.272 0.000 1.038 574 K CA 0.534 56.501 56.287 -0.533 0.000 0.986 574 K CB -0.027 32.157 32.500 -0.528 0.000 0.782 574 K HN 0.240 nan 8.250 nan 0.000 0.485 575 R N 0.281 120.650 120.500 -0.219 0.000 3.422 575 R HA -0.236 4.098 4.340 -0.010 0.000 0.267 575 R C 0.295 176.522 176.300 -0.121 0.000 1.074 575 R CA 0.251 56.273 56.100 -0.130 0.000 0.718 575 R CB -2.012 28.227 30.300 -0.101 0.000 1.157 575 R HN 0.293 nan 8.270 nan 0.000 0.440 576 Q N 0.365 120.091 119.800 -0.123 0.000 2.248 576 Q HA -0.104 4.231 4.340 -0.010 0.000 0.208 576 Q C 2.019 177.976 176.000 -0.072 0.000 0.984 576 Q CA 1.641 57.386 55.803 -0.096 0.000 0.875 576 Q CB -0.034 28.649 28.738 -0.093 0.000 0.910 576 Q HN 0.592 nan 8.270 nan 0.000 0.433 577 L N -0.693 120.491 121.223 -0.065 0.000 2.141 577 L HA -0.164 4.171 4.340 -0.010 0.000 0.209 577 L C 2.007 178.884 176.870 0.012 0.000 1.094 577 L CA 0.450 55.267 54.840 -0.038 0.000 0.763 577 L CB -0.312 41.735 42.059 -0.020 0.000 0.908 577 L HN 0.302 nan 8.230 nan 0.000 0.437 578 L N -0.010 121.214 121.223 0.001 0.000 2.056 578 L HA -0.225 4.109 4.340 -0.010 0.000 0.207 578 L C 2.017 178.949 176.870 0.103 0.000 1.078 578 L CA 1.856 56.711 54.840 0.026 0.000 0.749 578 L CB -0.797 41.177 42.059 -0.142 0.000 0.901 578 L HN 0.277 nan 8.230 nan 0.000 0.433 579 N N -1.568 117.159 118.700 0.046 0.000 2.069 579 N HA -0.249 4.486 4.740 -0.010 0.000 0.191 579 N C 1.965 177.559 175.510 0.140 0.000 1.031 579 N CA 1.750 54.902 53.050 0.169 0.000 0.852 579 N CB -0.167 38.352 38.487 0.054 0.000 1.018 579 N HN 0.497 nan 8.380 nan 0.000 0.423 580 C N 0.616 119.934 119.300 0.030 0.000 2.401 580 C HA -0.121 4.333 4.460 -0.010 0.000 0.276 580 C C 2.600 177.582 174.990 -0.013 0.000 1.233 580 C CA 0.496 59.486 59.018 -0.047 0.000 1.753 580 C CB -1.314 26.349 27.740 -0.130 0.000 2.029 580 C HN 0.507 nan 8.230 nan 0.000 0.478 581 L N -0.596 120.681 121.223 0.090 0.000 2.093 581 L HA -0.178 4.156 4.340 -0.010 0.000 0.208 581 L C 2.766 179.788 176.870 0.254 0.000 1.085 581 L CA 1.733 56.672 54.840 0.165 0.000 0.755 581 L CB -1.013 41.206 42.059 0.267 0.000 0.904 581 L HN 0.586 nan 8.230 nan 0.000 0.435 582 H N -0.044 119.135 119.070 0.181 0.000 2.326 582 H HA -0.133 4.417 4.556 -0.010 0.000 0.301 582 H C 2.244 177.564 175.328 -0.013 0.000 1.081 582 H CA 1.866 57.938 56.048 0.040 0.000 1.334 582 H CB 0.317 30.027 29.762 -0.087 0.000 1.385 582 H HN 0.081 nan 8.280 nan 0.000 0.504 583 V N 1.707 121.542 119.914 -0.131 0.000 2.282 583 V HA -0.299 3.815 4.120 -0.010 0.000 0.249 583 V C 2.846 178.869 176.094 -0.118 0.000 1.057 583 V CA 2.069 64.258 62.300 -0.185 0.000 1.032 583 V CB -0.555 31.205 31.823 -0.104 0.000 0.645 583 V HN 0.401 nan 8.190 nan 0.000 0.447 584 I N -0.240 120.299 120.570 -0.053 0.000 2.361 584 I HA -0.216 3.948 4.170 -0.010 0.000 0.251 584 I C 2.491 178.656 176.117 0.080 0.000 1.133 584 I CA 1.683 63.016 61.300 0.054 0.000 1.413 584 I CB -0.734 37.275 38.000 0.015 0.000 1.073 584 I HN 0.333 nan 8.210 nan 0.000 0.424 585 T N 1.274 115.836 114.554 0.014 0.000 2.684 585 T HA -0.154 4.190 4.350 -0.010 0.000 0.267 585 T C 1.873 176.526 174.700 -0.078 0.000 1.036 585 T CA 1.254 63.355 62.100 0.001 0.000 1.148 585 T CB -0.233 68.665 68.868 0.050 0.000 0.863 585 T HN 0.083 nan 8.240 nan 0.000 0.436 586 L N 0.013 121.124 121.223 -0.186 0.000 2.046 586 L HA 0.013 4.347 4.340 -0.010 0.000 0.208 586 L C 2.091 178.921 176.870 -0.067 0.000 1.077 586 L CA 1.522 56.250 54.840 -0.187 0.000 0.747 586 L CB -1.095 40.782 42.059 -0.303 0.000 0.896 586 L HN 0.353 nan 8.230 nan 0.000 0.432 587 Y N 0.387 120.622 120.300 -0.109 0.000 2.128 587 Y HA -0.304 4.240 4.550 -0.010 0.000 0.284 587 Y C 2.446 178.323 175.900 -0.039 0.000 1.154 587 Y CA 1.893 59.967 58.100 -0.044 0.000 1.149 587 Y CB -0.110 38.366 38.460 0.027 0.000 0.976 587 Y HN 0.278 nan 8.280 nan 0.000 0.505 588 N N 0.456 119.111 118.700 -0.076 0.000 2.166 588 N HA -0.152 4.582 4.740 -0.010 0.000 0.186 588 N C 1.828 177.230 175.510 -0.180 0.000 1.019 588 N CA 1.561 54.508 53.050 -0.171 0.000 0.856 588 N CB -0.380 38.065 38.487 -0.069 0.000 0.993 588 N HN 0.442 nan 8.380 nan 0.000 0.426 589 R N 0.338 120.757 120.500 -0.135 0.000 2.092 589 R HA 0.065 4.399 4.340 -0.010 0.000 0.231 589 R C 2.215 178.431 176.300 -0.141 0.000 1.119 589 R CA 0.750 56.778 56.100 -0.120 0.000 0.970 589 R CB -0.237 30.004 30.300 -0.100 0.000 0.864 589 R HN 0.244 nan 8.270 nan 0.000 0.440 590 I N 0.943 121.408 120.570 -0.176 0.000 2.142 590 I HA -0.273 3.892 4.170 -0.010 0.000 0.240 590 I C 2.090 178.088 176.117 -0.199 0.000 1.078 590 I CA 1.212 62.407 61.300 -0.175 0.000 1.343 590 I CB -0.198 37.699 38.000 -0.172 0.000 1.046 590 I HN 0.013 nan 8.210 nan 0.000 0.405 591 K N 0.842 121.058 120.400 -0.308 0.000 2.211 591 K HA -0.215 4.099 4.320 -0.010 0.000 0.204 591 K C 1.985 178.486 176.600 -0.166 0.000 1.047 591 K CA 1.218 57.340 56.287 -0.274 0.000 0.935 591 K CB -0.283 31.976 32.500 -0.402 0.000 0.728 591 K HN 0.352 nan 8.250 nan 0.000 0.452 592 K N 1.085 121.395 120.400 -0.149 0.000 2.044 592 K HA -0.056 4.258 4.320 -0.010 0.000 0.204 592 K C 0.053 176.607 176.600 -0.077 0.000 1.049 592 K CA 0.935 57.162 56.287 -0.101 0.000 0.945 592 K CB 0.398 32.842 32.500 -0.093 0.000 0.724 592 K HN 0.044 nan 8.250 nan 0.000 0.440 593 E N 0.507 120.660 120.200 -0.078 0.000 3.037 593 E HA 0.124 4.468 4.350 -0.010 0.000 0.220 593 E C -2.323 174.243 176.600 -0.057 0.000 1.142 593 E CA -1.669 54.697 56.400 -0.056 0.000 0.888 593 E CB 1.704 31.378 29.700 -0.044 0.000 1.329 593 E HN 0.157 nan 8.360 nan 0.000 0.409 594 P HA -0.122 nan 4.420 nan 0.000 0.220 594 P C 0.235 177.517 177.300 -0.030 0.000 1.148 594 P CA 1.134 64.202 63.100 -0.054 0.000 0.803 594 P CB 0.199 31.871 31.700 -0.047 0.000 0.782 595 N N -1.201 117.490 118.700 -0.015 0.000 2.268 595 N HA 0.020 4.755 4.740 -0.010 0.000 0.204 595 N C 0.537 176.063 175.510 0.026 0.000 1.124 595 N CA -0.102 52.952 53.050 0.007 0.000 0.838 595 N CB 0.121 38.611 38.487 0.006 0.000 0.994 595 N HN -0.007 nan 8.380 nan 0.000 0.489 596 K N 1.091 121.500 120.400 0.016 0.000 2.143 596 K HA 0.166 4.480 4.320 -0.010 0.000 0.272 596 K C -0.949 175.692 176.600 0.069 0.000 1.001 596 K CA -0.573 55.739 56.287 0.042 0.000 0.915 596 K CB 0.740 33.245 32.500 0.008 0.000 1.047 596 K HN -0.058 nan 8.250 nan 0.000 0.458 597 F N 4.313 124.250 119.950 -0.022 0.000 2.456 597 F HA 0.215 4.737 4.527 -0.010 0.000 0.358 597 F C -0.334 175.452 175.800 -0.023 0.000 1.095 597 F CA -0.211 57.777 58.000 -0.020 0.000 1.216 597 F CB 0.638 39.630 39.000 -0.014 0.000 1.125 597 F HN 0.173 nan 8.300 nan 0.000 0.549 598 V N 4.365 123.741 119.914 -0.898 0.000 2.789 598 V HA 0.553 4.667 4.120 -0.010 0.000 0.311 598 V C -0.743 174.729 176.094 -1.037 0.000 1.073 598 V CA -1.181 60.693 62.300 -0.710 0.000 0.921 598 V CB 1.041 32.649 31.823 -0.357 0.000 1.009 598 V HN 0.569 nan 8.190 nan 0.000 0.426 599 V N 5.690 125.272 119.914 -0.553 0.000 2.493 599 V HA 0.199 4.314 4.120 -0.010 0.000 0.292 599 V C -1.635 174.292 176.094 -0.278 0.000 1.016 599 V CA -0.403 61.713 62.300 -0.307 0.000 1.097 599 V CB 0.480 32.252 31.823 -0.086 0.000 0.947 599 V HN 0.935 nan 8.190 nan 0.000 0.479 600 P HA 0.346 nan 4.420 nan 0.000 0.271 600 P C -0.543 176.671 177.300 -0.144 0.000 1.216 600 P CA -0.225 62.784 63.100 -0.152 0.000 0.776 600 P CB 0.736 32.393 31.700 -0.071 0.000 0.881 601 R N 0.745 121.173 120.500 -0.119 0.000 2.686 601 R HA 0.535 4.869 4.340 -0.010 0.000 0.283 601 R C -0.665 175.600 176.300 -0.058 0.000 0.978 601 R CA -0.618 55.415 56.100 -0.111 0.000 0.897 601 R CB 2.027 32.246 30.300 -0.134 0.000 1.192 601 R HN 0.333 nan 8.270 nan 0.000 0.457 602 T N 2.122 116.659 114.554 -0.027 0.000 2.788 602 T HA 0.237 4.581 4.350 -0.010 0.000 0.296 602 T C -0.238 174.381 174.700 -0.134 0.000 1.009 602 T CA -0.485 61.554 62.100 -0.102 0.000 0.949 602 T CB 1.133 69.867 68.868 -0.223 0.000 0.946 602 T HN 0.136 nan 8.240 nan 0.000 0.453 603 V N 5.995 125.839 119.914 -0.117 0.000 2.385 603 V HA 0.399 4.513 4.120 -0.010 0.000 0.269 603 V C 0.076 176.097 176.094 -0.121 0.000 1.043 603 V CA -0.387 61.849 62.300 -0.105 0.000 0.906 603 V CB 0.488 32.264 31.823 -0.079 0.000 0.995 603 V HN 0.858 nan 8.190 nan 0.000 0.467 604 M N 6.700 126.217 119.600 -0.137 0.000 2.243 604 M HA 0.628 5.102 4.480 -0.010 0.000 0.324 604 M C -0.967 175.231 176.300 -0.170 0.000 1.031 604 M CA -0.176 55.035 55.300 -0.149 0.000 0.949 604 M CB 2.060 34.569 32.600 -0.151 0.000 1.615 604 M HN 0.406 nan 8.290 nan 0.000 0.430 605 I N 1.741 122.188 120.570 -0.206 0.000 2.498 605 I HA 0.845 5.009 4.170 -0.010 0.000 0.290 605 I C 0.015 175.806 176.117 -0.543 0.000 1.032 605 I CA -0.645 60.503 61.300 -0.254 0.000 1.073 605 I CB 2.360 40.299 38.000 -0.102 0.000 1.251 605 I HN 0.819 nan 8.210 nan 0.000 0.426 606 G N 2.872 111.324 108.800 -0.579 0.000 2.690 606 G HA2 0.839 4.793 3.960 -0.010 0.000 0.291 606 G HA3 0.839 4.793 3.960 -0.010 0.000 0.291 606 G C -1.031 173.587 174.900 -0.470 0.000 1.403 606 G CA -0.700 43.916 45.100 -0.807 0.000 0.864 606 G HN 1.003 nan 8.290 nan 0.000 0.480 607 G N -0.516 108.158 108.800 -0.210 0.000 2.337 607 G HA2 0.404 4.359 3.960 -0.010 0.000 0.310 607 G HA3 0.404 4.359 3.960 -0.010 0.000 0.310 607 G C -1.315 173.710 174.900 0.208 0.000 1.534 607 G CA -1.023 44.114 45.100 0.061 0.000 0.982 607 G HN 0.599 nan 8.290 nan 0.000 0.672 608 K N -0.127 120.390 120.400 0.196 0.000 2.110 608 K HA 0.748 5.063 4.320 -0.010 0.000 0.263 608 K C 0.332 177.039 176.600 0.179 0.000 0.975 608 K CA -0.127 56.289 56.287 0.214 0.000 0.895 608 K CB 1.958 34.498 32.500 0.067 0.000 1.060 608 K HN 0.879 nan 8.250 nan 0.000 0.448 609 A N 1.379 124.332 122.820 0.221 0.000 2.312 609 A HA 0.644 4.958 4.320 -0.010 0.000 0.326 609 A C -0.493 177.238 177.584 0.245 0.000 1.172 609 A CA -0.717 51.383 52.037 0.107 0.000 0.821 609 A CB 1.014 20.005 19.000 -0.015 0.000 1.166 609 A HN 0.771 nan 8.150 nan 0.000 0.493 610 A N 3.160 126.098 122.820 0.196 0.000 2.511 610 A HA 0.494 4.808 4.320 -0.010 0.000 0.242 610 A C -1.442 176.221 177.584 0.131 0.000 1.069 610 A CA -0.932 51.244 52.037 0.232 0.000 0.763 610 A CB -0.347 18.777 19.000 0.207 0.000 1.001 610 A HN 0.586 nan 8.150 nan 0.000 0.498 611 P HA -0.136 nan 4.420 nan 0.000 0.217 611 P C 1.262 178.553 177.300 -0.015 0.000 1.148 611 P CA 1.980 65.022 63.100 -0.097 0.000 0.828 611 P CB 0.226 31.815 31.700 -0.185 0.000 0.783 612 G N -3.086 105.735 108.800 0.035 0.000 3.189 612 G HA2 -0.057 3.897 3.960 -0.010 0.000 0.225 612 G HA3 -0.057 3.897 3.960 -0.010 0.000 0.225 612 G C -0.277 174.677 174.900 0.090 0.000 1.159 612 G CA -0.111 45.015 45.100 0.044 0.000 0.763 612 G HN 0.304 nan 8.290 nan 0.000 0.549 613 Y N 1.667 121.930 120.300 -0.061 0.000 2.650 613 Y HA 0.205 4.749 4.550 -0.010 0.000 0.343 613 Y C 1.593 177.487 175.900 -0.009 0.000 1.078 613 Y CA -1.075 56.974 58.100 -0.085 0.000 1.356 613 Y CB 0.200 38.574 38.460 -0.143 0.000 1.204 613 Y HN 0.294 nan 8.280 nan 0.000 0.508 614 H N 4.448 123.640 119.070 0.204 0.000 2.319 614 H HA -0.211 4.339 4.556 -0.009 0.000 0.299 614 H C 1.795 177.154 175.328 0.051 0.000 1.092 614 H CA 2.306 58.413 56.048 0.098 0.000 1.302 614 H CB 0.366 30.177 29.762 0.081 0.000 1.373 614 H HN 0.742 nan 8.280 nan 0.000 0.497 615 M N 1.114 120.720 119.600 0.010 0.000 2.108 615 M HA -0.105 4.369 4.480 -0.010 0.000 0.261 615 M C 2.550 178.629 176.300 -0.370 0.000 1.066 615 M CA 1.894 57.115 55.300 -0.132 0.000 1.107 615 M CB -0.739 31.921 32.600 0.100 0.000 1.356 615 M HN 0.349 nan 8.290 nan 0.000 0.406 616 A N -0.557 121.806 122.820 -0.761 0.000 1.933 616 A HA -0.196 4.119 4.320 -0.010 0.000 0.218 616 A C 2.205 179.572 177.584 -0.361 0.000 1.175 616 A CA 1.900 53.496 52.037 -0.734 0.000 0.628 616 A CB -0.650 17.664 19.000 -1.144 0.000 0.814 616 A HN 0.586 nan 8.150 nan 0.000 0.444 617 K N -1.162 119.080 120.400 -0.263 0.000 2.148 617 K HA -0.054 4.260 4.320 -0.010 0.000 0.204 617 K C 1.950 178.494 176.600 -0.094 0.000 1.050 617 K CA 1.272 57.492 56.287 -0.113 0.000 0.942 617 K CB -0.196 32.298 32.500 -0.010 0.000 0.724 617 K HN 0.340 nan 8.250 nan 0.000 0.446 618 M N 0.451 119.947 119.600 -0.174 0.000 2.175 618 M HA -0.083 4.391 4.480 -0.010 0.000 0.264 618 M C 2.089 178.327 176.300 -0.103 0.000 1.063 618 M CA 1.420 56.665 55.300 -0.092 0.000 1.119 618 M CB -0.610 31.919 32.600 -0.118 0.000 1.377 618 M HN 0.128 nan 8.290 nan 0.000 0.415 619 I N -0.142 120.329 120.570 -0.166 0.000 2.226 619 I HA -0.306 3.858 4.170 -0.010 0.000 0.245 619 I C 2.296 178.284 176.117 -0.214 0.000 1.100 619 I CA 1.094 62.285 61.300 -0.181 0.000 1.374 619 I CB -0.340 37.552 38.000 -0.179 0.000 1.057 619 I HN 0.172 nan 8.210 nan 0.000 0.413 620 I N 0.689 121.112 120.570 -0.246 0.000 2.163 620 I HA -0.317 3.848 4.170 -0.010 0.000 0.243 620 I C 2.620 178.459 176.117 -0.463 0.000 1.085 620 I CA 1.324 62.381 61.300 -0.406 0.000 1.347 620 I CB -0.330 37.399 38.000 -0.452 0.000 1.044 620 I HN 0.164 nan 8.210 nan 0.000 0.408 621 K N 1.554 121.704 120.400 -0.416 0.000 2.057 621 K HA -0.164 4.150 4.320 -0.010 0.000 0.207 621 K C 2.061 178.501 176.600 -0.268 0.000 1.049 621 K CA 1.527 57.498 56.287 -0.527 0.000 0.931 621 K CB -0.617 31.321 32.500 -0.937 0.000 0.714 621 K HN 0.229 nan 8.250 nan 0.000 0.440 622 L N 0.419 121.513 121.223 -0.216 0.000 2.042 622 L HA -0.193 4.142 4.340 -0.010 0.000 0.210 622 L C 2.202 178.839 176.870 -0.388 0.000 1.076 622 L CA 1.804 56.352 54.840 -0.486 0.000 0.749 622 L CB -0.289 41.405 42.059 -0.608 0.000 0.893 622 L HN 0.290 nan 8.230 nan 0.000 0.432 623 I N -0.310 120.086 120.570 -0.290 0.000 2.226 623 I HA -0.313 3.851 4.170 -0.010 0.000 0.245 623 I C 2.633 178.652 176.117 -0.164 0.000 1.100 623 I CA 1.831 63.014 61.300 -0.195 0.000 1.374 623 I CB -0.514 37.451 38.000 -0.059 0.000 1.057 623 I HN 0.422 nan 8.210 nan 0.000 0.413 624 T N -0.862 113.566 114.554 -0.210 0.000 2.821 624 T HA -0.067 4.278 4.350 -0.010 0.000 0.267 624 T C 1.995 176.633 174.700 -0.104 0.000 1.046 624 T CA 0.926 62.933 62.100 -0.155 0.000 1.139 624 T CB -0.464 68.267 68.868 -0.228 0.000 0.871 624 T HN 0.323 nan 8.240 nan 0.000 0.454 625 A N 1.597 124.350 122.820 -0.111 0.000 1.902 625 A HA 0.126 4.440 4.320 -0.010 0.000 0.217 625 A C 2.380 179.985 177.584 0.034 0.000 1.181 625 A CA 1.356 53.396 52.037 0.004 0.000 0.623 625 A CB -0.848 18.243 19.000 0.152 0.000 0.818 625 A HN 0.590 nan 8.150 nan 0.000 0.443 626 I N -0.228 120.260 120.570 -0.137 0.000 2.179 626 I HA -0.217 3.947 4.170 -0.010 0.000 0.242 626 I C 2.726 178.809 176.117 -0.058 0.000 1.088 626 I CA 1.160 62.364 61.300 -0.161 0.000 1.357 626 I CB -0.668 37.112 38.000 -0.366 0.000 1.051 626 I HN 0.391 nan 8.210 nan 0.000 0.409 627 G N 0.484 109.243 108.800 -0.068 0.000 2.446 627 G HA2 -0.281 3.673 3.960 -0.010 0.000 0.217 627 G HA3 -0.281 3.673 3.960 -0.010 0.000 0.217 627 G C 1.279 176.178 174.900 -0.001 0.000 1.168 627 G CA 1.113 46.184 45.100 -0.049 0.000 0.771 627 G HN 0.288 nan 8.290 nan 0.000 0.551 628 D N -0.069 120.367 120.400 0.059 0.000 2.190 628 D HA -0.089 4.545 4.640 -0.010 0.000 0.200 628 D C 2.668 179.079 176.300 0.184 0.000 0.992 628 D CA 0.744 54.841 54.000 0.162 0.000 0.854 628 D CB -0.156 40.694 40.800 0.083 0.000 0.936 628 D HN 0.259 nan 8.370 nan 0.000 0.462 629 V N 0.000 119.960 119.914 0.076 0.000 2.379 629 V HA -0.119 3.996 4.120 -0.010 0.000 0.243 629 V C 2.548 178.603 176.094 -0.065 0.000 1.035 629 V CA 0.679 62.974 62.300 -0.008 0.000 1.035 629 V CB -0.099 31.689 31.823 -0.058 0.000 0.673 629 V HN 0.022 nan 8.190 nan 0.000 0.457 630 V N 0.885 120.707 119.914 -0.153 0.000 2.358 630 V HA -0.174 3.940 4.120 -0.010 0.000 0.246 630 V C 2.122 178.176 176.094 -0.066 0.000 1.047 630 V CA 1.919 64.113 62.300 -0.176 0.000 1.035 630 V CB -0.828 30.882 31.823 -0.187 0.000 0.658 630 V HN 0.556 nan 8.190 nan 0.000 0.452 631 N N -0.284 118.327 118.700 -0.148 0.000 2.512 631 N HA -0.085 4.649 4.740 -0.010 0.000 0.183 631 N C 1.218 176.470 175.510 -0.430 0.000 1.073 631 N CA 0.901 53.775 53.050 -0.293 0.000 0.911 631 N CB -0.272 37.973 38.487 -0.404 0.000 0.964 631 N HN 0.680 nan 8.380 nan 0.000 0.447 632 H N -1.458 117.610 119.070 -0.003 0.000 2.784 632 H HA 0.197 4.747 4.556 -0.009 0.000 0.273 632 H C -0.477 174.861 175.328 0.017 0.000 1.112 632 H CA -0.454 55.592 56.048 -0.004 0.000 1.162 632 H CB 0.623 30.373 29.762 -0.020 0.000 1.586 632 H HN -0.014 nan 8.280 nan 0.000 0.548 633 D N 2.298 122.769 120.400 0.119 0.000 2.339 633 D HA 0.024 4.659 4.640 -0.010 0.000 0.241 633 D C -1.432 174.923 176.300 0.091 0.000 1.183 633 D CA -2.090 51.993 54.000 0.139 0.000 0.859 633 D CB 1.646 42.606 40.800 0.267 0.000 1.067 633 D HN 0.148 nan 8.370 nan 0.000 0.484 634 P HA -0.123 nan 4.420 nan 0.000 0.220 634 P C 1.530 178.848 177.300 0.030 0.000 1.148 634 P CA 0.389 63.513 63.100 0.040 0.000 0.803 634 P CB 0.496 32.215 31.700 0.031 0.000 0.782 635 V N -0.101 119.832 119.914 0.032 0.000 2.548 635 V HA -0.142 3.972 4.120 -0.010 0.000 0.249 635 V C 2.733 178.829 176.094 0.003 0.000 1.055 635 V CA 1.308 63.613 62.300 0.008 0.000 1.065 635 V CB -0.890 30.927 31.823 -0.010 0.000 0.681 635 V HN -0.042 nan 8.190 nan 0.000 0.462 636 V N -0.085 119.847 119.914 0.031 0.000 2.453 636 V HA 0.112 4.226 4.120 -0.010 0.000 0.247 636 V C 1.810 177.910 176.094 0.009 0.000 1.048 636 V CA 1.530 63.848 62.300 0.029 0.000 1.049 636 V CB -1.189 30.697 31.823 0.104 0.000 0.672 636 V HN 0.723 nan 8.190 nan 0.000 0.457 637 G N 1.629 110.438 108.800 0.014 0.000 2.556 637 G HA2 -0.355 3.599 3.960 -0.010 0.000 0.283 637 G HA3 -0.355 3.599 3.960 -0.010 0.000 0.283 637 G C 0.209 175.109 174.900 0.001 0.000 1.177 637 G CA 0.434 45.538 45.100 0.007 0.000 0.978 637 G HN 0.704 nan 8.290 nan 0.000 0.554 638 D N 0.182 120.583 120.400 0.002 0.000 2.525 638 D HA 0.255 4.889 4.640 -0.010 0.000 0.229 638 D C 1.665 177.959 176.300 -0.010 0.000 1.202 638 D CA -0.088 53.913 54.000 0.003 0.000 0.828 638 D CB -0.033 40.780 40.800 0.022 0.000 1.008 638 D HN 0.587 nan 8.370 nan 0.000 0.493 639 R N -0.677 119.806 120.500 -0.029 0.000 2.240 639 R HA 0.227 4.561 4.340 -0.010 0.000 0.203 639 R C -0.139 176.119 176.300 -0.071 0.000 1.011 639 R CA 0.222 56.281 56.100 -0.067 0.000 1.007 639 R CB 0.328 30.569 30.300 -0.099 0.000 0.911 639 R HN 0.118 nan 8.270 nan 0.000 0.468 640 L N 0.522 121.720 121.223 -0.041 0.000 2.543 640 L HA 0.387 4.722 4.340 -0.010 0.000 0.265 640 L C -1.602 175.246 176.870 -0.036 0.000 0.945 640 L CA -0.488 54.328 54.840 -0.041 0.000 0.869 640 L CB 1.813 43.861 42.059 -0.017 0.000 1.294 640 L HN -0.186 nan 8.230 nan 0.000 0.405 641 R N 3.699 124.166 120.500 -0.055 0.000 2.686 641 R HA 0.804 5.139 4.340 -0.010 0.000 0.283 641 R C -1.679 174.572 176.300 -0.081 0.000 0.978 641 R CA -0.796 55.263 56.100 -0.069 0.000 0.897 641 R CB 2.464 32.726 30.300 -0.064 0.000 1.192 641 R HN 0.406 nan 8.270 nan 0.000 0.457 642 V N 4.697 124.561 119.914 -0.083 0.000 2.407 642 V HA 0.479 4.594 4.120 -0.010 0.000 0.291 642 V C -0.241 175.817 176.094 -0.060 0.000 1.018 642 V CA -0.757 61.497 62.300 -0.077 0.000 0.842 642 V CB 1.932 33.706 31.823 -0.081 0.000 0.996 642 V HN 0.493 nan 8.190 nan 0.000 0.426 643 I N 4.745 125.279 120.570 -0.060 0.000 2.436 643 I HA 0.414 4.578 4.170 -0.010 0.000 0.289 643 I C -0.629 175.479 176.117 -0.015 0.000 1.010 643 I CA -0.637 60.638 61.300 -0.042 0.000 1.098 643 I CB 1.784 39.736 38.000 -0.081 0.000 1.266 643 I HN 0.579 nan 8.210 nan 0.000 0.434 644 F N 6.944 126.835 119.950 -0.098 0.000 2.404 644 F HA 0.429 4.951 4.527 -0.009 0.000 0.358 644 F C -0.195 175.545 175.800 -0.099 0.000 1.120 644 F CA -0.471 57.472 58.000 -0.096 0.000 1.144 644 F CB 0.712 39.657 39.000 -0.092 0.000 1.133 644 F HN 0.259 nan 8.300 nan 0.000 0.495 645 L N 6.270 127.104 121.223 -0.648 0.000 2.342 645 L HA 0.209 4.543 4.340 -0.010 0.000 0.285 645 L C 0.350 176.963 176.870 -0.427 0.000 1.095 645 L CA -0.161 54.429 54.840 -0.416 0.000 0.843 645 L CB 0.530 42.434 42.059 -0.258 0.000 1.201 645 L HN 0.638 nan 8.230 nan 0.000 0.445 646 E N 3.808 123.893 120.200 -0.191 0.000 2.373 646 E HA -0.053 4.291 4.350 -0.010 0.000 0.267 646 E C 0.421 177.074 176.600 0.089 0.000 1.032 646 E CA -0.307 56.118 56.400 0.042 0.000 0.889 646 E CB 0.445 30.158 29.700 0.022 0.000 0.984 646 E HN 0.559 nan 8.360 nan 0.000 0.425 647 N N 2.447 121.259 118.700 0.186 0.000 2.740 647 N HA -0.279 4.455 4.740 -0.010 0.000 0.248 647 N C -1.527 174.075 175.510 0.154 0.000 1.062 647 N CA 0.539 53.698 53.050 0.180 0.000 0.704 647 N CB -1.668 36.940 38.487 0.202 0.000 0.968 647 N HN 0.493 nan 8.380 nan 0.000 0.547 648 Y N 1.538 121.849 120.300 0.018 0.000 2.717 648 Y HA 0.168 4.712 4.550 -0.010 0.000 0.330 648 Y C 1.155 177.077 175.900 0.037 0.000 1.217 648 Y CA 0.841 58.941 58.100 -0.000 0.000 1.506 648 Y CB 0.315 38.744 38.460 -0.053 0.000 1.268 648 Y HN 0.384 nan 8.280 nan 0.000 0.561 649 R N 2.295 122.426 120.500 -0.615 0.000 2.756 649 R HA 0.404 4.738 4.340 -0.010 0.000 0.273 649 R C -0.627 175.356 176.300 -0.529 0.000 1.030 649 R CA -0.562 55.295 56.100 -0.405 0.000 0.887 649 R CB 0.226 30.468 30.300 -0.095 0.000 1.274 649 R HN 0.354 nan 8.270 nan 0.000 0.461 650 V N 1.096 120.749 119.914 -0.435 0.000 2.255 650 V HA -0.293 3.821 4.120 -0.010 0.000 0.247 650 V C 2.594 178.565 176.094 -0.206 0.000 1.051 650 V CA 2.854 64.945 62.300 -0.349 0.000 1.018 650 V CB -0.842 30.739 31.823 -0.403 0.000 0.641 650 V HN 0.923 nan 8.190 nan 0.000 0.445 651 S N 0.063 115.664 115.700 -0.165 0.000 2.399 651 S HA -0.196 4.268 4.470 -0.010 0.000 0.231 651 S C 1.932 176.482 174.600 -0.084 0.000 1.022 651 S CA 1.746 59.877 58.200 -0.115 0.000 0.983 651 S CB -0.558 62.603 63.200 -0.065 0.000 0.803 651 S HN 0.385 nan 8.310 nan 0.000 0.480 652 L N 1.925 123.103 121.223 -0.075 0.000 2.109 652 L HA 0.310 4.644 4.340 -0.010 0.000 0.207 652 L C 2.716 179.596 176.870 0.018 0.000 1.086 652 L CA 1.387 56.225 54.840 -0.002 0.000 0.760 652 L CB -1.296 40.816 42.059 0.089 0.000 0.910 652 L HN 0.356 nan 8.230 nan 0.000 0.437 653 A N -0.660 122.141 122.820 -0.032 0.000 1.908 653 A HA -0.252 4.062 4.320 -0.010 0.000 0.218 653 A C 2.134 179.777 177.584 0.099 0.000 1.181 653 A CA 1.913 54.013 52.037 0.104 0.000 0.627 653 A CB -0.636 18.418 19.000 0.090 0.000 0.818 653 A HN 0.594 nan 8.150 nan 0.000 0.445 654 E N -0.443 119.791 120.200 0.058 0.000 2.265 654 E HA -0.168 4.177 4.350 -0.010 0.000 0.196 654 E C 1.923 178.489 176.600 -0.057 0.000 0.996 654 E CA 1.212 57.602 56.400 -0.017 0.000 0.832 654 E CB -0.061 29.538 29.700 -0.169 0.000 0.756 654 E HN 0.628 nan 8.360 nan 0.000 0.491 655 K N 0.058 120.412 120.400 -0.077 0.000 2.099 655 K HA 0.011 4.326 4.320 -0.010 0.000 0.203 655 K C 2.162 178.599 176.600 -0.271 0.000 1.047 655 K CA 0.528 56.759 56.287 -0.093 0.000 0.963 655 K CB 0.007 32.459 32.500 -0.081 0.000 0.759 655 K HN -0.038 nan 8.250 nan 0.000 0.451 656 V N 1.770 121.441 119.914 -0.404 0.000 2.535 656 V HA -0.112 4.003 4.120 -0.010 0.000 0.246 656 V C 1.887 177.740 176.094 -0.402 0.000 1.045 656 V CA 1.102 62.941 62.300 -0.768 0.000 1.058 656 V CB -0.146 31.321 31.823 -0.593 0.000 0.689 656 V HN 0.237 nan 8.190 nan 0.000 0.461 657 I N 0.895 121.278 120.570 -0.312 0.000 2.127 657 I HA -0.145 4.019 4.170 -0.010 0.000 0.241 657 I C -0.216 175.773 176.117 -0.212 0.000 1.075 657 I CA 1.739 62.776 61.300 -0.439 0.000 1.334 657 I CB -1.625 35.994 38.000 -0.635 0.000 1.040 657 I HN 0.363 nan 8.210 nan 0.000 0.405 658 P HA -0.128 nan 4.420 nan 0.000 0.223 658 P C 1.003 178.294 177.300 -0.014 0.000 1.144 658 P CA 1.319 64.391 63.100 -0.046 0.000 0.783 658 P CB -0.006 31.677 31.700 -0.028 0.000 0.771 659 A N -1.148 121.646 122.820 -0.044 0.000 2.238 659 A HA 0.441 4.756 4.320 -0.010 0.000 0.210 659 A C 1.234 178.911 177.584 0.155 0.000 1.179 659 A CA 0.223 52.287 52.037 0.045 0.000 0.827 659 A CB -0.681 18.337 19.000 0.030 0.000 0.856 659 A HN 0.214 nan 8.150 nan 0.000 0.488 660 A N -0.122 122.792 122.820 0.157 0.000 2.340 660 A HA 0.474 4.788 4.320 -0.010 0.000 0.268 660 A C 0.355 178.087 177.584 0.247 0.000 1.100 660 A CA -0.155 52.044 52.037 0.269 0.000 0.803 660 A CB 0.368 19.618 19.000 0.417 0.000 1.043 660 A HN 0.264 nan 8.150 nan 0.000 0.488 661 D N 0.227 120.776 120.400 0.248 0.000 2.338 661 D HA 0.126 4.760 4.640 -0.010 0.000 0.224 661 D C 0.028 176.548 176.300 0.366 0.000 0.967 661 D CA 0.769 54.969 54.000 0.332 0.000 0.896 661 D CB 0.303 41.217 40.800 0.190 0.000 1.028 661 D HN 0.350 nan 8.370 nan 0.000 0.493 662 L N 0.993 122.320 121.223 0.172 0.000 2.381 662 L HA 0.296 4.630 4.340 -0.010 0.000 0.274 662 L C -0.938 175.831 176.870 -0.167 0.000 0.988 662 L CA -0.321 54.547 54.840 0.046 0.000 0.824 662 L CB 2.151 44.217 42.059 0.011 0.000 1.263 662 L HN -0.186 nan 8.230 nan 0.000 0.410 663 S N 4.299 119.811 115.700 -0.313 0.000 2.422 663 S HA 0.353 4.817 4.470 -0.010 0.000 0.308 663 S C -0.457 173.886 174.600 -0.428 0.000 1.097 663 S CA -0.673 57.098 58.200 -0.715 0.000 1.099 663 S CB 0.716 63.419 63.200 -0.829 0.000 0.976 663 S HN 0.568 nan 8.310 nan 0.000 0.471 664 E N 4.110 124.070 120.200 -0.399 0.000 2.089 664 E HA 0.215 4.559 4.350 -0.010 0.000 0.284 664 E C -0.547 175.949 176.600 -0.174 0.000 1.023 664 E CA -0.435 55.852 56.400 -0.189 0.000 0.819 664 E CB 1.002 30.622 29.700 -0.134 0.000 1.076 664 E HN 0.606 nan 8.360 nan 0.000 0.396 665 Q N 2.843 122.594 119.800 -0.081 0.000 3.064 665 Q HA 0.271 4.605 4.340 -0.010 0.000 0.258 665 Q C 0.597 176.580 176.000 -0.029 0.000 0.972 665 Q CA -0.116 55.647 55.803 -0.067 0.000 0.761 665 Q CB 0.235 28.942 28.738 -0.051 0.000 1.281 665 Q HN 0.622 nan 8.270 nan 0.000 0.455 666 I N -1.857 118.683 120.570 -0.050 0.000 3.707 666 I HA 0.263 4.427 4.170 -0.010 0.000 0.330 666 I C 0.433 176.496 176.117 -0.089 0.000 1.572 666 I CA -0.694 60.586 61.300 -0.034 0.000 1.104 666 I CB 0.506 38.499 38.000 -0.011 0.000 1.240 666 I HN -0.001 nan 8.210 nan 0.000 0.475 667 S N 0.568 116.215 115.700 -0.088 0.000 2.566 667 S HA 0.119 4.583 4.470 -0.010 0.000 0.280 667 S C 0.594 175.173 174.600 -0.034 0.000 1.343 667 S CA -0.198 57.971 58.200 -0.052 0.000 1.036 667 S CB 0.113 63.329 63.200 0.026 0.000 0.866 667 S HN 0.394 nan 8.310 nan 0.000 0.526 668 T N 2.736 117.305 114.554 0.024 0.000 2.902 668 T HA 0.381 4.725 4.350 -0.010 0.000 0.301 668 T C 0.769 175.479 174.700 0.015 0.000 1.012 668 T CA 0.266 62.387 62.100 0.036 0.000 1.151 668 T CB -0.000 68.960 68.868 0.153 0.000 0.946 668 T HN 1.019 nan 8.240 nan 0.000 0.542 669 A N 2.710 125.508 122.820 -0.037 0.000 2.580 669 A HA 0.447 4.761 4.320 -0.010 0.000 0.244 669 A C 1.638 179.214 177.584 -0.013 0.000 1.045 669 A CA 0.296 52.308 52.037 -0.043 0.000 0.761 669 A CB -0.906 18.056 19.000 -0.063 0.000 0.962 669 A HN 1.738 nan 8.150 nan 0.000 0.512 670 G N 1.414 110.205 108.800 -0.014 0.000 2.175 670 G HA2 -0.235 3.719 3.960 -0.010 0.000 0.244 670 G HA3 -0.235 3.719 3.960 -0.010 0.000 0.244 670 G C 0.830 175.719 174.900 -0.019 0.000 0.982 670 G CA 1.134 46.228 45.100 -0.011 0.000 0.641 670 G HN 1.994 nan 8.290 nan 0.000 0.527 671 T N -2.596 111.946 114.554 -0.020 0.000 3.038 671 T HA 0.408 4.752 4.350 -0.010 0.000 0.244 671 T C 0.742 175.312 174.700 -0.217 0.000 1.016 671 T CA 1.041 63.069 62.100 -0.120 0.000 1.098 671 T CB 0.561 69.397 68.868 -0.052 0.000 0.954 671 T HN 0.293 nan 8.240 nan 0.000 0.469 672 E N 1.402 121.595 120.200 -0.013 0.000 2.044 672 E HA 0.666 5.010 4.350 -0.010 0.000 0.282 672 E C 1.157 177.712 176.600 -0.075 0.000 1.031 672 E CA 0.066 56.492 56.400 0.043 0.000 0.824 672 E CB 0.874 30.652 29.700 0.130 0.000 1.076 672 E HN 0.343 nan 8.360 nan 0.000 0.395 673 A N 3.426 126.129 122.820 -0.196 0.000 1.892 673 A HA -0.217 4.097 4.320 -0.010 0.000 0.218 673 A C 1.988 179.454 177.584 -0.196 0.000 1.188 673 A CA 2.275 54.068 52.037 -0.407 0.000 0.631 673 A CB -0.291 18.199 19.000 -0.851 0.000 0.822 673 A HN 0.600 nan 8.150 nan 0.000 0.447 674 S N -3.789 111.848 115.700 -0.104 0.000 3.792 674 S HA 0.456 4.921 4.470 -0.010 0.000 0.229 674 S C 0.714 175.299 174.600 -0.026 0.000 1.118 674 S CA 1.453 59.635 58.200 -0.031 0.000 0.877 674 S CB -0.077 63.129 63.200 0.009 0.000 1.077 674 S HN 2.256 nan 8.310 nan 0.000 0.546 675 G N 0.346 109.136 108.800 -0.017 0.000 2.721 675 G HA2 -0.060 3.894 3.960 -0.010 0.000 0.686 675 G HA3 -0.060 3.894 3.960 -0.010 0.000 0.686 675 G C 0.249 175.127 174.900 -0.037 0.000 1.236 675 G CA 0.457 45.543 45.100 -0.023 0.000 0.786 675 G HN 1.286 nan 8.290 nan 0.000 0.616 676 T N -1.806 112.715 114.554 -0.055 0.000 3.010 676 T HA 0.381 4.725 4.350 -0.010 0.000 0.253 676 T C 2.440 177.044 174.700 -0.160 0.000 0.939 676 T CA 1.315 63.355 62.100 -0.099 0.000 0.910 676 T CB 0.145 68.949 68.868 -0.107 0.000 1.226 676 T HN 1.941 nan 8.240 nan 0.000 0.508 677 G N 3.340 112.070 108.800 -0.116 0.000 2.476 677 G HA2 -0.347 3.607 3.960 -0.010 0.000 0.218 677 G HA3 -0.347 3.607 3.960 -0.010 0.000 0.218 677 G C 1.469 176.417 174.900 0.080 0.000 1.164 677 G CA 1.401 46.462 45.100 -0.066 0.000 0.768 677 G HN 0.852 nan 8.290 nan 0.000 0.560 678 N N -0.069 118.658 118.700 0.045 0.000 2.091 678 N HA -0.141 4.594 4.740 -0.010 0.000 0.193 678 N C 1.473 176.988 175.510 0.009 0.000 1.021 678 N CA 0.807 53.881 53.050 0.040 0.000 0.862 678 N CB -0.360 38.105 38.487 -0.037 0.000 1.018 678 N HN 0.361 nan 8.380 nan 0.000 0.429 682 M N 0.272 119.956 119.600 0.141 0.000 2.108 682 M HA -0.163 4.311 4.480 -0.010 0.000 0.261 682 M C 1.987 178.338 176.300 0.086 0.000 1.066 682 M CA 1.826 57.178 55.300 0.086 0.000 1.107 682 M CB -0.074 32.576 32.600 0.083 0.000 1.356 682 M HN 0.315 nan 8.290 nan 0.000 0.406 683 L N 0.581 121.853 121.223 0.083 0.000 2.291 683 L HA -0.074 4.260 4.340 -0.010 0.000 0.214 683 L C 1.337 178.249 176.870 0.071 0.000 1.120 683 L CA 1.588 56.482 54.840 0.090 0.000 0.799 683 L CB -0.572 41.550 42.059 0.106 0.000 0.925 683 L HN 0.335 nan 8.230 nan 0.000 0.446 684 N N -0.328 118.404 118.700 0.054 0.000 2.235 684 N HA 0.170 4.904 4.740 -0.010 0.000 0.209 684 N C 0.811 176.353 175.510 0.054 0.000 1.122 684 N CA 0.785 53.860 53.050 0.041 0.000 0.845 684 N CB 0.618 39.105 38.487 0.002 0.000 1.004 684 N HN 0.383 nan 8.380 nan 0.000 0.499 685 G N 0.654 109.491 108.800 0.062 0.000 2.142 685 G HA2 -0.189 3.765 3.960 -0.010 0.000 0.225 685 G HA3 -0.189 3.765 3.960 -0.010 0.000 0.225 685 G C -0.029 174.934 174.900 0.105 0.000 1.015 685 G CA 0.127 45.263 45.100 0.060 0.000 0.716 685 G HN 0.504 nan 8.290 nan 0.000 0.508 686 A N -0.345 122.549 122.820 0.122 0.000 2.312 686 A HA 0.888 5.202 4.320 -0.010 0.000 0.328 686 A C 0.464 178.042 177.584 -0.009 0.000 1.158 686 A CA -0.619 51.506 52.037 0.146 0.000 0.821 686 A CB 0.991 20.142 19.000 0.252 0.000 1.170 686 A HN 0.727 nan 8.150 nan 0.000 0.490 687 L N 0.673 121.851 121.223 -0.075 0.000 2.421 687 L HA 0.447 4.781 4.340 -0.010 0.000 0.263 687 L C 0.198 176.940 176.870 -0.213 0.000 1.122 687 L CA -0.340 54.352 54.840 -0.246 0.000 0.804 687 L CB 1.429 43.263 42.059 -0.374 0.000 1.150 687 L HN 0.680 nan 8.230 nan 0.000 0.457 688 T N 2.505 116.820 114.554 -0.399 0.000 2.779 688 T HA 0.448 4.792 4.350 -0.010 0.000 0.280 688 T C -0.403 174.239 174.700 -0.096 0.000 0.987 688 T CA -0.255 61.634 62.100 -0.352 0.000 0.966 688 T CB 1.424 69.942 68.868 -0.583 0.000 0.933 688 T HN 0.340 nan 8.240 nan 0.000 0.442 689 I N 3.121 123.701 120.570 0.017 0.000 2.321 689 I HA 0.702 4.866 4.170 -0.010 0.000 0.291 689 I C 0.150 176.430 176.117 0.271 0.000 0.998 689 I CA 0.156 61.571 61.300 0.192 0.000 1.227 689 I CB 0.292 38.341 38.000 0.082 0.000 1.368 689 I HN 0.774 nan 8.210 nan 0.000 0.466 690 G N 3.970 112.995 108.800 0.376 0.000 2.646 690 G HA2 0.435 4.389 3.960 -0.010 0.000 0.291 690 G HA3 0.435 4.389 3.960 -0.010 0.000 0.291 690 G C -0.867 173.950 174.900 -0.138 0.000 1.445 690 G CA -0.449 44.759 45.100 0.180 0.000 0.814 690 G HN 0.594 nan 8.290 nan 0.000 0.495 691 T N -1.052 113.285 114.554 -0.360 0.000 2.849 691 T HA 0.458 4.803 4.350 -0.010 0.000 0.284 691 T C 0.848 175.424 174.700 -0.207 0.000 1.004 691 T CA -0.616 61.206 62.100 -0.463 0.000 1.021 691 T CB 1.013 69.631 68.868 -0.416 0.000 1.013 691 T HN 0.267 nan 8.240 nan 0.000 0.527 692 M N 2.858 122.348 119.600 -0.183 0.000 3.442 692 M HA 0.289 4.763 4.480 -0.010 0.000 0.232 692 M C -0.388 175.857 176.300 -0.093 0.000 1.508 692 M CA 0.006 55.237 55.300 -0.115 0.000 1.647 692 M CB -1.835 30.707 32.600 -0.097 0.000 1.126 692 M HN 0.728 nan 8.290 nan 0.000 0.557 693 D N -0.131 120.220 120.400 -0.082 0.000 2.671 693 D HA 0.670 5.305 4.640 -0.010 0.000 0.232 693 D C 0.711 176.986 176.300 -0.042 0.000 1.114 693 D CA 0.721 54.688 54.000 -0.056 0.000 0.858 693 D CB 1.708 42.476 40.800 -0.053 0.000 1.544 693 D HN 0.593 nan 8.370 nan 0.000 0.471 694 G N 1.835 110.620 108.800 -0.025 0.000 2.614 694 G HA2 -0.253 3.701 3.960 -0.010 0.000 0.303 694 G HA3 -0.253 3.701 3.960 -0.010 0.000 0.303 694 G C 1.022 175.911 174.900 -0.019 0.000 1.270 694 G CA 1.067 46.156 45.100 -0.018 0.000 0.988 694 G HN 1.057 nan 8.290 nan 0.000 0.551 695 A N -0.344 122.457 122.820 -0.030 0.000 2.167 695 A HA 0.111 4.425 4.320 -0.010 0.000 0.214 695 A C 2.103 179.619 177.584 -0.113 0.000 1.151 695 A CA 1.782 53.793 52.037 -0.044 0.000 0.735 695 A CB -0.449 18.512 19.000 -0.065 0.000 0.802 695 A HN 0.635 nan 8.150 nan 0.000 0.467 696 N N 0.582 119.223 118.700 -0.097 0.000 2.132 696 N HA -0.166 4.569 4.740 -0.010 0.000 0.191 696 N C 1.570 176.967 175.510 -0.189 0.000 1.015 696 N CA 1.653 54.642 53.050 -0.102 0.000 0.864 696 N CB -0.613 37.853 38.487 -0.035 0.000 1.006 696 N HN 0.300 nan 8.380 nan 0.000 0.430 697 V N 1.139 120.977 119.914 -0.126 0.000 2.343 697 V HA -0.200 3.914 4.120 -0.010 0.000 0.247 697 V C 1.976 178.000 176.094 -0.117 0.000 1.051 697 V CA 1.661 63.886 62.300 -0.124 0.000 1.036 697 V CB -0.466 31.316 31.823 -0.069 0.000 0.654 697 V HN 0.349 nan 8.190 nan 0.000 0.451 698 E N -0.566 119.614 120.200 -0.033 0.000 2.158 698 E HA -0.126 4.218 4.350 -0.010 0.000 0.191 698 E C 2.223 178.919 176.600 0.160 0.000 0.982 698 E CA 1.026 57.480 56.400 0.090 0.000 0.823 698 E CB -0.182 29.657 29.700 0.233 0.000 0.766 698 E HN 0.536 nan 8.360 nan 0.000 0.468 699 M N 0.560 120.141 119.600 -0.032 0.000 2.086 699 M HA -0.163 4.312 4.480 -0.010 0.000 0.261 699 M C 2.519 178.534 176.300 -0.474 0.000 1.067 699 M CA 1.619 56.820 55.300 -0.164 0.000 1.116 699 M CB -0.250 32.159 32.600 -0.318 0.000 1.348 699 M HN 0.140 nan 8.290 nan 0.000 0.407 700 A N -0.089 122.171 122.820 -0.934 0.000 1.933 700 A HA -0.231 4.083 4.320 -0.010 0.000 0.218 700 A C 1.999 179.361 177.584 -0.370 0.000 1.175 700 A CA 2.043 53.486 52.037 -0.990 0.000 0.628 700 A CB -0.845 17.687 19.000 -0.781 0.000 0.814 700 A HN 0.598 nan 8.150 nan 0.000 0.444 701 E N -0.419 119.648 120.200 -0.221 0.000 2.077 701 E HA -0.217 4.128 4.350 -0.010 0.000 0.193 701 E C 1.828 178.395 176.600 -0.056 0.000 0.989 701 E CA 1.259 57.596 56.400 -0.104 0.000 0.800 701 E CB -0.085 29.576 29.700 -0.065 0.000 0.746 701 E HN 0.565 nan 8.360 nan 0.000 0.452 702 E N 0.177 120.371 120.200 -0.011 0.000 2.051 702 E HA -0.160 4.184 4.350 -0.010 0.000 0.192 702 E C 1.919 178.539 176.600 0.033 0.000 0.991 702 E CA 1.204 57.621 56.400 0.030 0.000 0.799 702 E CB -0.246 29.524 29.700 0.116 0.000 0.748 702 E HN 0.375 nan 8.360 nan 0.000 0.449 703 A N 0.404 123.249 122.820 0.042 0.000 2.021 703 A HA 0.298 4.612 4.320 -0.010 0.000 0.216 703 A C 1.100 178.705 177.584 0.035 0.000 1.163 703 A CA 1.216 53.301 52.037 0.081 0.000 0.676 703 A CB -0.063 19.064 19.000 0.211 0.000 0.818 703 A HN 0.283 nan 8.150 nan 0.000 0.453 704 G N -0.749 108.042 108.800 -0.014 0.000 3.067 704 G HA2 -0.076 3.878 3.960 -0.010 0.000 0.686 704 G HA3 -0.076 3.878 3.960 -0.010 0.000 0.686 704 G C -0.048 174.836 174.900 -0.026 0.000 1.119 704 G CA 0.008 45.093 45.100 -0.025 0.000 0.790 704 G HN 0.227 nan 8.290 nan 0.000 0.605 705 E N 0.894 121.064 120.200 -0.049 0.000 2.204 705 E HA -0.151 4.193 4.350 -0.010 0.000 0.195 705 E C 2.033 178.618 176.600 -0.025 0.000 0.990 705 E CA 1.692 58.069 56.400 -0.039 0.000 0.821 705 E CB 0.089 29.763 29.700 -0.044 0.000 0.750 705 E HN 0.763 nan 8.360 nan 0.000 0.477 706 E N 0.795 120.969 120.200 -0.042 0.000 2.265 706 E HA -0.111 4.234 4.350 -0.010 0.000 0.196 706 E C 1.053 177.566 176.600 -0.145 0.000 0.996 706 E CA 0.689 57.042 56.400 -0.078 0.000 0.832 706 E CB -0.045 29.622 29.700 -0.055 0.000 0.756 706 E HN 0.148 nan 8.360 nan 0.000 0.491 707 N N -0.439 118.209 118.700 -0.087 0.000 2.235 707 N HA 0.139 4.873 4.740 -0.010 0.000 0.209 707 N C -0.897 174.532 175.510 -0.135 0.000 1.122 707 N CA 0.130 53.103 53.050 -0.127 0.000 0.845 707 N CB 0.376 38.849 38.487 -0.023 0.000 1.004 707 N HN 0.045 nan 8.380 nan 0.000 0.499 708 F N -0.496 119.229 119.950 -0.375 0.000 2.588 708 F HA 0.416 4.937 4.527 -0.011 0.000 0.314 708 F C -0.677 174.872 175.800 -0.419 0.000 1.069 708 F CA -1.110 56.703 58.000 -0.312 0.000 0.931 708 F CB 1.312 40.231 39.000 -0.135 0.000 1.260 708 F HN -0.227 nan 8.300 nan 0.000 0.465 709 F N 4.405 124.390 119.950 0.058 0.000 2.318 709 F HA 0.452 4.974 4.527 -0.009 0.000 0.356 709 F C -0.191 175.744 175.800 0.224 0.000 1.109 709 F CA -0.445 57.612 58.000 0.096 0.000 1.234 709 F CB 0.051 39.057 39.000 0.011 0.000 1.545 709 F HN 0.052 nan 8.300 nan 0.000 0.534 710 I N 3.832 124.601 120.570 0.332 0.000 2.396 710 I HA 0.426 4.590 4.170 -0.010 0.000 0.292 710 I C -0.281 176.020 176.117 0.307 0.000 0.999 710 I CA -0.657 60.799 61.300 0.260 0.000 1.310 710 I CB 0.907 38.983 38.000 0.126 0.000 1.404 710 I HN 0.350 nan 8.210 nan 0.000 0.496 711 F N 3.362 123.375 119.950 0.105 0.000 2.685 711 F HA 0.930 5.451 4.527 -0.010 0.000 0.315 711 F C -0.032 175.806 175.800 0.063 0.000 1.126 711 F CA -0.619 57.434 58.000 0.088 0.000 0.950 711 F CB 0.997 40.064 39.000 0.111 0.000 1.360 711 F HN 0.792 nan 8.300 nan 0.000 0.469 712 G N 0.998 109.866 108.800 0.113 0.000 2.685 712 G HA2 -0.054 3.900 3.960 -0.010 0.000 0.387 712 G HA3 -0.054 3.900 3.960 -0.010 0.000 0.387 712 G C -0.925 173.951 174.900 -0.040 0.000 1.324 712 G CA -0.652 44.455 45.100 0.011 0.000 0.878 712 G HN 0.954 nan 8.290 nan 0.000 0.527 713 M N 0.822 120.407 119.600 -0.025 0.000 2.249 713 M HA 0.223 4.697 4.480 -0.010 0.000 0.340 713 M C 1.182 177.447 176.300 -0.058 0.000 1.166 713 M CA 0.016 55.306 55.300 -0.017 0.000 1.115 713 M CB 0.280 32.877 32.600 -0.004 0.000 1.606 713 M HN 0.527 nan 8.290 nan 0.000 0.448 714 R N 1.679 122.158 120.500 -0.035 0.000 2.546 714 R HA 0.249 4.584 4.340 -0.010 0.000 0.266 714 R C 1.245 177.526 176.300 -0.032 0.000 1.086 714 R CA -0.602 55.473 56.100 -0.042 0.000 1.160 714 R CB -0.149 30.133 30.300 -0.030 0.000 1.138 714 R HN 0.582 nan 8.270 nan 0.000 0.567 715 V N 1.474 121.368 119.914 -0.033 0.000 2.317 715 V HA -0.297 3.817 4.120 -0.010 0.000 0.251 715 V C 1.888 177.971 176.094 -0.018 0.000 1.065 715 V CA 2.165 64.449 62.300 -0.026 0.000 1.049 715 V CB -0.492 31.314 31.823 -0.029 0.000 0.651 715 V HN 0.631 nan 8.190 nan 0.000 0.450 716 E N 0.135 120.326 120.200 -0.015 0.000 2.110 716 E HA -0.187 4.157 4.350 -0.010 0.000 0.193 716 E C 1.970 178.573 176.600 0.004 0.000 0.988 716 E CA 1.428 57.824 56.400 -0.006 0.000 0.804 716 E CB -0.377 29.320 29.700 -0.005 0.000 0.745 716 E HN 0.639 nan 8.360 nan 0.000 0.458 717 D N -0.133 120.271 120.400 0.007 0.000 2.144 717 D HA -0.098 4.537 4.640 -0.010 0.000 0.200 717 D C 1.985 178.300 176.300 0.024 0.000 0.978 717 D CA 0.819 54.833 54.000 0.024 0.000 0.833 717 D CB -0.081 40.737 40.800 0.030 0.000 0.961 717 D HN 0.065 nan 8.370 nan 0.000 0.470 718 V N 1.887 121.803 119.914 0.003 0.000 2.343 718 V HA -0.212 3.902 4.120 -0.010 0.000 0.247 718 V C 1.972 178.064 176.094 -0.002 0.000 1.051 718 V CA 1.676 63.971 62.300 -0.009 0.000 1.036 718 V CB -0.406 31.402 31.823 -0.025 0.000 0.654 718 V HN 0.025 nan 8.190 nan 0.000 0.451 719 D N -0.060 120.339 120.400 -0.001 0.000 2.104 719 D HA -0.167 4.468 4.640 -0.010 0.000 0.194 719 D C 2.403 178.712 176.300 0.016 0.000 0.994 719 D CA 1.302 55.303 54.000 0.002 0.000 0.830 719 D CB -0.287 40.511 40.800 -0.003 0.000 0.959 719 D HN 0.335 nan 8.370 nan 0.000 0.452 720 R N 0.046 120.561 120.500 0.024 0.000 2.091 720 R HA -0.050 4.285 4.340 -0.010 0.000 0.238 720 R C 2.489 178.822 176.300 0.056 0.000 1.136 720 R CA 0.585 56.707 56.100 0.037 0.000 0.959 720 R CB -0.339 29.985 30.300 0.040 0.000 0.856 720 R HN 0.209 nan 8.270 nan 0.000 0.437 721 L N 0.456 121.721 121.223 0.069 0.000 2.056 721 L HA -0.191 4.143 4.340 -0.010 0.000 0.207 721 L C 1.483 178.415 176.870 0.103 0.000 1.078 721 L CA 1.310 56.216 54.840 0.111 0.000 0.749 721 L CB -0.262 41.877 42.059 0.133 0.000 0.901 721 L HN 0.231 nan 8.230 nan 0.000 0.433 722 D N -0.453 119.983 120.400 0.059 0.000 2.117 722 D HA -0.214 4.420 4.640 -0.010 0.000 0.197 722 D C 2.196 178.523 176.300 0.046 0.000 0.987 722 D CA 1.138 55.166 54.000 0.046 0.000 0.829 722 D CB -0.039 40.767 40.800 0.011 0.000 0.961 722 D HN 0.401 nan 8.370 nan 0.000 0.460 723 Q N 0.050 119.873 119.800 0.038 0.000 2.084 723 Q HA -0.097 4.237 4.340 -0.010 0.000 0.202 723 Q C 2.271 178.295 176.000 0.040 0.000 0.978 723 Q CA 1.023 56.845 55.803 0.033 0.000 0.844 723 Q CB 0.036 28.790 28.738 0.026 0.000 0.898 723 Q HN 0.126 nan 8.270 nan 0.000 0.426 724 R N -0.605 119.927 120.500 0.053 0.000 2.115 724 R HA 0.012 4.346 4.340 -0.010 0.000 0.226 724 R C -0.068 176.269 176.300 0.062 0.000 1.100 724 R CA 0.845 56.978 56.100 0.055 0.000 0.980 724 R CB 0.243 30.583 30.300 0.067 0.000 0.875 724 R HN 0.301 nan 8.270 nan 0.000 0.445 725 G N -0.276 108.575 108.800 0.084 0.000 3.355 725 G HA2 -0.255 3.699 3.960 -0.010 0.000 0.686 725 G HA3 -0.255 3.699 3.960 -0.010 0.000 0.686 725 G C -1.377 173.613 174.900 0.150 0.000 1.097 725 G CA -0.503 44.655 45.100 0.097 0.000 0.881 725 G HN 0.261 nan 8.290 nan 0.000 0.550 726 Y N 3.204 123.531 120.300 0.045 0.000 2.436 726 Y HA 0.591 5.136 4.550 -0.010 0.000 0.343 726 Y C 0.254 176.201 175.900 0.079 0.000 1.008 726 Y CA -1.139 57.007 58.100 0.076 0.000 1.241 726 Y CB 1.129 39.616 38.460 0.046 0.000 1.153 726 Y HN 0.621 nan 8.280 nan 0.000 0.521 727 N N 4.810 123.309 118.700 -0.335 0.000 2.564 727 N HA 0.354 5.089 4.740 -0.010 0.000 0.248 727 N C 0.259 175.522 175.510 -0.412 0.000 0.986 727 N CA 0.223 53.073 53.050 -0.333 0.000 0.921 727 N CB 1.233 39.644 38.487 -0.127 0.000 1.136 727 N HN 0.761 nan 8.380 nan 0.000 0.509 728 A N 2.834 125.319 122.820 -0.558 0.000 2.019 728 A HA -0.174 4.140 4.320 -0.010 0.000 0.219 728 A C 1.870 179.574 177.584 0.200 0.000 1.164 728 A CA 1.332 53.255 52.037 -0.190 0.000 0.644 728 A CB -0.413 18.387 19.000 -0.334 0.000 0.805 728 A HN 0.715 nan 8.150 nan 0.000 0.449 729 Q N 0.350 120.166 119.800 0.025 0.000 2.135 729 Q HA -0.223 4.111 4.340 -0.010 0.000 0.204 729 Q C 1.874 177.943 176.000 0.116 0.000 0.981 729 Q CA 2.216 58.059 55.803 0.066 0.000 0.856 729 Q CB -0.358 28.374 28.738 -0.010 0.000 0.902 729 Q HN 0.773 nan 8.270 nan 0.000 0.425 730 E N -1.292 118.912 120.200 0.008 0.000 2.070 730 E HA -0.265 4.079 4.350 -0.010 0.000 0.197 730 E C 1.581 178.100 176.600 -0.135 0.000 1.004 730 E CA 1.678 58.006 56.400 -0.121 0.000 0.805 730 E CB -0.274 29.248 29.700 -0.296 0.000 0.744 730 E HN 0.597 nan 8.360 nan 0.000 0.451 731 Y N -1.064 119.304 120.300 0.113 0.000 2.163 731 Y HA -0.211 4.333 4.550 -0.010 0.000 0.288 731 Y C 2.291 178.194 175.900 0.005 0.000 1.136 731 Y CA 1.565 59.720 58.100 0.091 0.000 1.147 731 Y CB -0.804 37.762 38.460 0.177 0.000 0.987 731 Y HN 0.233 nan 8.280 nan 0.000 0.509 732 Y N 1.373 121.709 120.300 0.061 0.000 2.151 732 Y HA -0.302 4.243 4.550 -0.010 0.000 0.284 732 Y C 1.837 177.708 175.900 -0.047 0.000 1.166 732 Y CA 1.924 59.984 58.100 -0.066 0.000 1.163 732 Y CB -0.415 38.060 38.460 0.025 0.000 0.974 732 Y HN 0.095 nan 8.280 nan 0.000 0.511 733 D N -0.413 120.077 120.400 0.149 0.000 2.178 733 D HA -0.095 4.539 4.640 -0.010 0.000 0.202 733 D C 1.828 178.103 176.300 -0.041 0.000 0.974 733 D CA 1.278 55.310 54.000 0.054 0.000 0.841 733 D CB -0.092 40.755 40.800 0.077 0.000 0.953 733 D HN 0.474 nan 8.370 nan 0.000 0.478 734 R N -0.322 120.154 120.500 -0.041 0.000 2.334 734 R HA 0.293 4.628 4.340 -0.010 0.000 0.212 734 R C 0.258 176.538 176.300 -0.033 0.000 0.897 734 R CA 0.050 56.126 56.100 -0.040 0.000 1.056 734 R CB 1.208 31.481 30.300 -0.044 0.000 1.046 734 R HN 0.141 nan 8.270 nan 0.000 0.513 735 I N 2.134 122.667 120.570 -0.063 0.000 2.437 735 I HA 0.227 4.391 4.170 -0.010 0.000 0.279 735 I C -1.953 174.077 176.117 -0.146 0.000 1.028 735 I CA -2.333 58.933 61.300 -0.056 0.000 1.142 735 I CB 2.217 40.217 38.000 0.001 0.000 1.266 735 I HN -0.283 nan 8.210 nan 0.000 0.461 736 P HA -0.143 nan 4.420 nan 0.000 0.216 736 P C 1.183 178.393 177.300 -0.150 0.000 1.150 736 P CA 1.298 64.310 63.100 -0.147 0.000 0.837 736 P CB 0.317 31.962 31.700 -0.092 0.000 0.786 737 E N -0.909 119.239 120.200 -0.088 0.000 2.110 737 E HA -0.163 4.181 4.350 -0.010 0.000 0.193 737 E C 1.853 178.361 176.600 -0.153 0.000 0.988 737 E CA 0.724 57.087 56.400 -0.061 0.000 0.804 737 E CB -0.574 29.158 29.700 0.054 0.000 0.745 737 E HN 0.129 nan 8.360 nan 0.000 0.458 738 L N 1.187 122.237 121.223 -0.289 0.000 2.109 738 L HA -0.115 4.219 4.340 -0.010 0.000 0.207 738 L C 2.360 178.974 176.870 -0.427 0.000 1.086 738 L CA 1.567 56.079 54.840 -0.547 0.000 0.760 738 L CB -0.272 41.314 42.059 -0.788 0.000 0.910 738 L HN -0.094 nan 8.230 nan 0.000 0.437 739 R N -0.818 119.409 120.500 -0.455 0.000 2.091 739 R HA -0.239 4.096 4.340 -0.010 0.000 0.238 739 R C 2.394 178.531 176.300 -0.271 0.000 1.136 739 R CA 1.962 57.711 56.100 -0.584 0.000 0.959 739 R CB -0.363 29.496 30.300 -0.735 0.000 0.856 739 R HN 0.601 nan 8.270 nan 0.000 0.437 740 Q N 0.456 120.132 119.800 -0.207 0.000 2.096 740 Q HA -0.200 4.134 4.340 -0.010 0.000 0.204 740 Q C 2.065 178.013 176.000 -0.086 0.000 0.982 740 Q CA 2.080 57.806 55.803 -0.129 0.000 0.850 740 Q CB -0.124 28.540 28.738 -0.123 0.000 0.901 740 Q HN 0.480 nan 8.270 nan 0.000 0.422 741 I N 0.556 121.073 120.570 -0.088 0.000 2.179 741 I HA -0.284 3.880 4.170 -0.010 0.000 0.242 741 I C 2.138 178.278 176.117 0.038 0.000 1.088 741 I CA 0.616 61.902 61.300 -0.023 0.000 1.357 741 I CB -0.326 37.637 38.000 -0.061 0.000 1.051 741 I HN 0.295 nan 8.210 nan 0.000 0.409 742 I N 0.932 121.525 120.570 0.038 0.000 2.226 742 I HA -0.251 3.914 4.170 -0.010 0.000 0.245 742 I C 2.477 178.694 176.117 0.167 0.000 1.100 742 I CA 1.707 63.098 61.300 0.151 0.000 1.374 742 I CB -1.327 36.852 38.000 0.299 0.000 1.057 742 I HN 0.361 nan 8.210 nan 0.000 0.413 743 E N 0.345 120.623 120.200 0.131 0.000 2.106 743 E HA -0.230 4.114 4.350 -0.010 0.000 0.192 743 E C 2.164 178.828 176.600 0.107 0.000 0.984 743 E CA 0.889 57.358 56.400 0.116 0.000 0.806 743 E CB -0.154 29.586 29.700 0.068 0.000 0.750 743 E HN 0.588 nan 8.360 nan 0.000 0.458 744 Q N 0.581 120.425 119.800 0.074 0.000 2.050 744 Q HA -0.146 4.188 4.340 -0.010 0.000 0.202 744 Q C 2.378 178.553 176.000 0.293 0.000 0.980 744 Q CA 1.087 56.946 55.803 0.094 0.000 0.840 744 Q CB -0.086 28.626 28.738 -0.043 0.000 0.898 744 Q HN 0.299 nan 8.270 nan 0.000 0.424 745 L N -0.119 121.286 121.223 0.303 0.000 2.017 745 L HA -0.201 4.133 4.340 -0.010 0.000 0.208 745 L C 2.482 179.537 176.870 0.309 0.000 1.073 745 L CA 1.023 56.063 54.840 0.334 0.000 0.745 745 L CB -0.417 41.757 42.059 0.191 0.000 0.894 745 L HN 0.152 nan 8.230 nan 0.000 0.432 746 S N -0.266 115.570 115.700 0.227 0.000 2.368 746 S HA -0.161 4.303 4.470 -0.010 0.000 0.225 746 S C 2.073 176.777 174.600 0.173 0.000 1.030 746 S CA 1.626 59.939 58.200 0.188 0.000 0.999 746 S CB -0.214 63.077 63.200 0.151 0.000 0.844 746 S HN 0.616 nan 8.310 nan 0.000 0.459 747 S N 0.105 115.909 115.700 0.174 0.000 2.527 747 S HA 0.345 4.809 4.470 -0.010 0.000 0.222 747 S C 1.398 176.089 174.600 0.152 0.000 0.985 747 S CA 0.697 58.984 58.200 0.145 0.000 0.921 747 S CB 0.115 63.393 63.200 0.131 0.000 0.772 747 S HN 0.800 nan 8.310 nan 0.000 0.529 748 G N 0.549 109.472 108.800 0.205 0.000 2.134 748 G HA2 -0.268 3.686 3.960 -0.010 0.000 0.209 748 G HA3 -0.268 3.686 3.960 -0.010 0.000 0.209 748 G C 0.189 175.185 174.900 0.160 0.000 0.993 748 G CA 0.079 45.288 45.100 0.183 0.000 0.669 748 G HN 0.480 nan 8.290 nan 0.000 0.519 749 F N 0.400 120.358 119.950 0.014 0.000 2.161 749 F HA 0.138 4.659 4.527 -0.010 0.000 0.300 749 F C 1.929 177.542 175.800 -0.312 0.000 1.089 749 F CA 2.121 60.006 58.000 -0.192 0.000 1.282 749 F CB -0.066 38.736 39.000 -0.330 0.000 1.010 749 F HN 0.178 nan 8.300 nan 0.000 0.485 750 F N -0.350 119.755 119.950 0.259 0.000 2.727 750 F HA 0.185 4.706 4.527 -0.010 0.000 0.302 750 F C 0.669 176.585 175.800 0.194 0.000 1.097 750 F CA 0.309 58.414 58.000 0.175 0.000 1.330 750 F CB -0.181 38.927 39.000 0.180 0.000 1.084 750 F HN -0.033 nan 8.300 nan 0.000 0.578 751 S N -1.982 113.869 115.700 0.252 0.000 2.564 751 S HA 0.307 4.771 4.470 -0.010 0.000 0.141 751 S C -2.447 172.173 174.600 0.033 0.000 1.474 751 S CA -1.001 57.270 58.200 0.120 0.000 1.236 751 S CB 0.851 64.079 63.200 0.047 0.000 1.481 751 S HN -0.184 nan 8.310 nan 0.000 0.397 752 P HA -0.085 nan 4.420 nan 0.000 0.216 752 P C 1.113 178.402 177.300 -0.019 0.000 1.150 752 P CA 1.294 64.371 63.100 -0.039 0.000 0.837 752 P CB 0.109 31.761 31.700 -0.081 0.000 0.786 753 K N -1.097 119.293 120.400 -0.017 0.000 2.243 753 K HA 0.008 4.323 4.320 -0.010 0.000 0.201 753 K C 0.696 177.292 176.600 -0.006 0.000 1.051 753 K CA 0.773 57.053 56.287 -0.011 0.000 0.970 753 K CB 0.042 32.536 32.500 -0.009 0.000 0.755 753 K HN 0.308 nan 8.250 nan 0.000 0.465 754 Q N 0.201 119.995 119.800 -0.010 0.000 2.700 754 Q HA 0.168 4.502 4.340 -0.010 0.000 0.249 754 Q C -2.382 173.608 176.000 -0.018 0.000 1.033 754 Q CA -1.754 54.038 55.803 -0.018 0.000 0.804 754 Q CB 1.450 30.169 28.738 -0.032 0.000 1.164 754 Q HN -0.078 nan 8.270 nan 0.000 0.500 755 P HA -0.214 nan 4.420 nan 0.000 0.219 755 P C 0.601 177.933 177.300 0.054 0.000 1.146 755 P CA 1.398 64.523 63.100 0.042 0.000 0.808 755 P CB 0.210 31.935 31.700 0.043 0.000 0.779 756 D N -1.277 119.139 120.400 0.026 0.000 2.368 756 D HA 0.000 4.635 4.640 -0.010 0.000 0.218 756 D C 1.576 177.872 176.300 -0.007 0.000 1.112 756 D CA -0.265 53.758 54.000 0.038 0.000 0.834 756 D CB -0.585 40.240 40.800 0.041 0.000 0.953 756 D HN 0.016 nan 8.370 nan 0.000 0.505 757 L N -0.074 121.074 121.223 -0.124 0.000 2.081 757 L HA -0.072 4.263 4.340 -0.010 0.000 0.212 757 L C 1.224 177.885 176.870 -0.348 0.000 1.080 757 L CA 1.694 56.339 54.840 -0.324 0.000 0.754 757 L CB -0.571 41.102 42.059 -0.644 0.000 0.893 757 L HN -0.000 nan 8.230 nan 0.000 0.433 758 F N -0.863 119.147 119.950 0.099 0.000 2.639 758 F HA 0.123 4.645 4.527 -0.009 0.000 0.300 758 F C 1.868 177.724 175.800 0.092 0.000 1.109 758 F CA -0.137 57.912 58.000 0.082 0.000 1.335 758 F CB -0.256 38.782 39.000 0.062 0.000 1.014 758 F HN 0.093 nan 8.300 nan 0.000 0.537 759 K N -0.298 120.223 120.400 0.202 0.000 2.152 759 K HA -0.186 4.128 4.320 -0.010 0.000 0.206 759 K C 0.968 177.671 176.600 0.173 0.000 1.048 759 K CA 1.973 58.362 56.287 0.169 0.000 0.933 759 K CB -0.266 32.308 32.500 0.123 0.000 0.721 759 K HN 0.049 nan 8.250 nan 0.000 0.447 760 D N 1.346 121.858 120.400 0.186 0.000 2.117 760 D HA -0.089 4.545 4.640 -0.010 0.000 0.197 760 D C 2.006 178.417 176.300 0.184 0.000 0.987 760 D CA 1.133 55.251 54.000 0.196 0.000 0.829 760 D CB -0.104 40.847 40.800 0.252 0.000 0.961 760 D HN 0.292 nan 8.370 nan 0.000 0.460 761 I N 0.343 121.026 120.570 0.188 0.000 2.179 761 I HA -0.215 3.949 4.170 -0.010 0.000 0.242 761 I C 2.378 178.563 176.117 0.113 0.000 1.088 761 I CA 0.670 62.053 61.300 0.139 0.000 1.357 761 I CB -0.365 37.711 38.000 0.126 0.000 1.051 761 I HN -0.091 nan 8.210 nan 0.000 0.409 762 V N 1.353 121.348 119.914 0.134 0.000 2.332 762 V HA -0.271 3.843 4.120 -0.010 0.000 0.248 762 V C 2.198 178.323 176.094 0.053 0.000 1.055 762 V CA 1.888 64.251 62.300 0.105 0.000 1.038 762 V CB -0.888 31.013 31.823 0.130 0.000 0.651 762 V HN 0.453 nan 8.190 nan 0.000 0.450 763 N N -0.423 118.342 118.700 0.109 0.000 2.188 763 N HA -0.137 4.597 4.740 -0.010 0.000 0.184 763 N C 1.810 177.406 175.510 0.143 0.000 1.018 763 N CA 1.452 54.596 53.050 0.156 0.000 0.858 763 N CB -0.364 38.268 38.487 0.242 0.000 0.989 763 N HN 0.366 nan 8.380 nan 0.000 0.426 764 M N 0.538 120.229 119.600 0.153 0.000 2.086 764 M HA -0.107 4.367 4.480 -0.010 0.000 0.261 764 M C 1.525 177.825 176.300 0.001 0.000 1.067 764 M CA 1.189 56.581 55.300 0.154 0.000 1.116 764 M CB -0.491 32.200 32.600 0.153 0.000 1.348 764 M HN -0.019 nan 8.290 nan 0.000 0.407 765 L N 0.785 121.960 121.223 -0.080 0.000 2.042 765 L HA -0.231 4.104 4.340 -0.010 0.000 0.210 765 L C 2.479 179.057 176.870 -0.487 0.000 1.076 765 L CA 1.724 56.383 54.840 -0.301 0.000 0.749 765 L CB -1.234 40.694 42.059 -0.219 0.000 0.893 765 L HN 0.360 nan 8.230 nan 0.000 0.432 766 M N -1.855 117.505 119.600 -0.400 0.000 2.288 766 M HA -0.069 4.405 4.480 -0.010 0.000 0.266 766 M C 1.718 177.578 176.300 -0.733 0.000 1.072 766 M CA 1.410 56.352 55.300 -0.597 0.000 1.132 766 M CB -0.745 31.388 32.600 -0.779 0.000 1.386 766 M HN 0.354 nan 8.290 nan 0.000 0.432 767 H N -2.961 115.960 119.070 -0.249 0.000 3.400 767 H HA 0.254 4.805 4.556 -0.009 0.000 0.251 767 H C 0.167 175.131 175.328 -0.607 0.000 1.040 767 H CA 0.388 56.152 56.048 -0.473 0.000 1.175 767 H CB 0.374 29.735 29.762 -0.669 0.000 1.487 767 H HN 0.503 nan 8.280 nan 0.000 0.505 768 H N 0.201 119.319 119.070 0.080 0.000 2.790 768 H HA 0.147 4.697 4.556 -0.010 0.000 0.232 768 H C -0.732 174.617 175.328 0.035 0.000 1.313 768 H CA -0.302 55.786 56.048 0.068 0.000 1.011 768 H CB 0.983 30.792 29.762 0.078 0.000 2.105 768 H HN -0.019 nan 8.280 nan 0.000 0.580 769 D N 0.967 121.425 120.400 0.097 0.000 2.428 769 D HA 0.118 4.752 4.640 -0.010 0.000 0.221 769 D C 0.985 177.234 176.300 -0.085 0.000 1.123 769 D CA -0.320 53.703 54.000 0.039 0.000 0.869 769 D CB 0.614 41.419 40.800 0.008 0.000 1.032 769 D HN 0.289 nan 8.370 nan 0.000 0.506 770 R N 2.207 122.556 120.500 -0.251 0.000 2.237 770 R HA -0.049 4.285 4.340 -0.010 0.000 0.219 770 R C 0.599 176.387 176.300 -0.854 0.000 1.080 770 R CA 0.939 56.662 56.100 -0.628 0.000 0.995 770 R CB 0.097 29.810 30.300 -0.979 0.000 0.875 770 R HN 0.411 nan 8.270 nan 0.000 0.462 771 F N 0.120 120.024 119.950 -0.076 0.000 2.661 771 F HA 0.270 4.791 4.527 -0.010 0.000 0.306 771 F C 0.104 175.784 175.800 -0.199 0.000 1.094 771 F CA -0.615 57.328 58.000 -0.094 0.000 1.254 771 F CB 0.278 39.281 39.000 0.005 0.000 1.040 771 F HN -0.250 nan 8.300 nan 0.000 0.562 772 K N -0.340 119.879 120.400 -0.302 0.000 3.150 772 K HA -0.174 4.140 4.320 -0.010 0.000 0.267 772 K C 0.978 177.466 176.600 -0.187 0.000 1.028 772 K CA 0.208 56.134 56.287 -0.601 0.000 0.753 772 K CB -1.928 30.145 32.500 -0.712 0.000 1.288 772 K HN 0.197 nan 8.250 nan 0.000 0.473 773 V N 0.039 119.925 119.914 -0.046 0.000 2.252 773 V HA -0.312 3.802 4.120 -0.010 0.000 0.249 773 V C 1.970 178.212 176.094 0.245 0.000 1.056 773 V CA 2.464 64.818 62.300 0.090 0.000 1.022 773 V CB -0.513 31.371 31.823 0.102 0.000 0.641 773 V HN 0.489 nan 8.190 nan 0.000 0.445 774 F N 0.146 120.102 119.950 0.009 0.000 2.171 774 F HA -0.191 4.330 4.527 -0.010 0.000 0.300 774 F C 2.544 178.133 175.800 -0.352 0.000 1.090 774 F CA 0.660 58.602 58.000 -0.097 0.000 1.293 774 F CB -0.425 38.527 39.000 -0.081 0.000 1.013 774 F HN 0.200 nan 8.300 nan 0.000 0.486 775 A N -0.387 122.276 122.820 -0.261 0.000 2.024 775 A HA -0.211 4.103 4.320 -0.010 0.000 0.220 775 A C 1.480 179.063 177.584 -0.002 0.000 1.164 775 A CA 1.984 53.809 52.037 -0.352 0.000 0.643 775 A CB -0.497 18.432 19.000 -0.117 0.000 0.806 775 A HN 0.247 nan 8.150 nan 0.000 0.451 776 D N -2.823 117.633 120.400 0.093 0.000 2.369 776 D HA 0.086 4.720 4.640 -0.010 0.000 0.211 776 D C 1.165 177.625 176.300 0.266 0.000 1.077 776 D CA 0.020 54.146 54.000 0.211 0.000 0.842 776 D CB -0.100 40.841 40.800 0.236 0.000 0.947 776 D HN 0.614 nan 8.370 nan 0.000 0.509 777 Y N 2.008 122.383 120.300 0.126 0.000 2.145 777 Y HA -0.173 4.371 4.550 -0.009 0.000 0.286 777 Y C 2.058 178.034 175.900 0.126 0.000 1.145 777 Y CA 1.762 59.945 58.100 0.138 0.000 1.148 777 Y CB 0.195 38.703 38.460 0.081 0.000 0.981 777 Y HN -0.120 nan 8.280 nan 0.000 0.507 778 E N 0.098 120.371 120.200 0.122 0.000 2.038 778 E HA -0.244 4.100 4.350 -0.010 0.000 0.195 778 E C 2.155 178.722 176.600 -0.055 0.000 1.000 778 E CA 1.625 58.025 56.400 -0.000 0.000 0.803 778 E CB -0.185 29.606 29.700 0.153 0.000 0.750 778 E HN 0.634 nan 8.360 nan 0.000 0.448 779 E N -0.209 120.030 120.200 0.066 0.000 2.153 779 E HA -0.200 4.144 4.350 -0.010 0.000 0.194 779 E C 1.919 178.498 176.600 -0.036 0.000 0.988 779 E CA 0.729 57.185 56.400 0.094 0.000 0.811 779 E CB -0.119 29.729 29.700 0.247 0.000 0.746 779 E HN 0.267 nan 8.360 nan 0.000 0.466 780 Y N 1.168 121.260 120.300 -0.347 0.000 2.163 780 Y HA -0.208 4.336 4.550 -0.010 0.000 0.288 780 Y C 2.133 177.628 175.900 -0.674 0.000 1.136 780 Y CA 0.936 58.508 58.100 -0.879 0.000 1.147 780 Y CB -0.481 37.523 38.460 -0.759 0.000 0.987 780 Y HN -0.211 nan 8.280 nan 0.000 0.509 781 V N 0.555 120.105 119.914 -0.606 0.000 2.343 781 V HA -0.321 3.794 4.120 -0.010 0.000 0.247 781 V C 2.272 178.126 176.094 -0.400 0.000 1.051 781 V CA 2.383 64.335 62.300 -0.579 0.000 1.036 781 V CB -0.591 30.916 31.823 -0.527 0.000 0.654 781 V HN 0.291 nan 8.190 nan 0.000 0.451 782 K N -0.928 119.306 120.400 -0.277 0.000 2.057 782 K HA -0.192 4.122 4.320 -0.010 0.000 0.207 782 K C 2.276 178.778 176.600 -0.164 0.000 1.049 782 K CA 1.690 57.880 56.287 -0.162 0.000 0.931 782 K CB -0.626 31.829 32.500 -0.076 0.000 0.714 782 K HN 0.529 nan 8.250 nan 0.000 0.440 783 C N 1.214 120.387 119.300 -0.212 0.000 2.429 783 C HA -0.096 4.358 4.460 -0.010 0.000 0.277 783 C C 2.567 177.368 174.990 -0.316 0.000 1.262 783 C CA 0.782 59.701 59.018 -0.166 0.000 1.733 783 C CB -0.636 27.026 27.740 -0.130 0.000 2.010 783 C HN 0.445 nan 8.230 nan 0.000 0.483 784 Q N 0.484 119.960 119.800 -0.541 0.000 2.181 784 Q HA -0.190 4.144 4.340 -0.010 0.000 0.205 784 Q C 1.980 177.781 176.000 -0.332 0.000 0.980 784 Q CA 1.702 57.154 55.803 -0.586 0.000 0.862 784 Q CB -0.423 27.726 28.738 -0.981 0.000 0.905 784 Q HN 0.760 nan 8.270 nan 0.000 0.429 785 E N 0.202 120.262 120.200 -0.234 0.000 2.077 785 E HA -0.147 4.198 4.350 -0.010 0.000 0.193 785 E C 2.106 178.656 176.600 -0.083 0.000 0.989 785 E CA 0.628 56.953 56.400 -0.124 0.000 0.800 785 E CB -0.031 29.616 29.700 -0.088 0.000 0.746 785 E HN 0.271 nan 8.360 nan 0.000 0.452 786 R N 0.447 120.901 120.500 -0.075 0.000 2.096 786 R HA -0.094 4.240 4.340 -0.010 0.000 0.235 786 R C 2.443 178.727 176.300 -0.026 0.000 1.127 786 R CA 0.936 57.051 56.100 0.026 0.000 0.968 786 R CB -0.373 30.015 30.300 0.146 0.000 0.861 786 R HN 0.068 nan 8.270 nan 0.000 0.440 787 V N 0.725 120.424 119.914 -0.358 0.000 2.255 787 V HA -0.267 3.848 4.120 -0.010 0.000 0.247 787 V C 2.218 178.291 176.094 -0.035 0.000 1.051 787 V CA 2.072 64.078 62.300 -0.490 0.000 1.018 787 V CB -0.437 30.998 31.823 -0.647 0.000 0.641 787 V HN 0.296 nan 8.190 nan 0.000 0.445 788 S N 0.001 115.653 115.700 -0.080 0.000 2.382 788 S HA -0.181 4.283 4.470 -0.010 0.000 0.228 788 S C 2.202 176.853 174.600 0.085 0.000 1.027 788 S CA 1.381 59.570 58.200 -0.019 0.000 0.991 788 S CB -0.518 62.645 63.200 -0.062 0.000 0.823 788 S HN 0.660 nan 8.310 nan 0.000 0.469 789 A N 1.473 124.345 122.820 0.088 0.000 1.883 789 A HA -0.028 4.286 4.320 -0.010 0.000 0.217 789 A C 2.104 179.798 177.584 0.184 0.000 1.186 789 A CA 1.160 53.271 52.037 0.123 0.000 0.624 789 A CB -0.762 18.301 19.000 0.106 0.000 0.822 789 A HN 0.458 nan 8.150 nan 0.000 0.444 790 L N -2.075 119.314 121.223 0.276 0.000 2.093 790 L HA -0.157 4.177 4.340 -0.010 0.000 0.208 790 L C 2.476 179.608 176.870 0.437 0.000 1.085 790 L CA 1.794 56.873 54.840 0.397 0.000 0.755 790 L CB -0.420 41.984 42.059 0.576 0.000 0.904 790 L HN 0.611 nan 8.230 nan 0.000 0.435 791 Y N 0.876 121.296 120.300 0.199 0.000 2.333 791 Y HA -0.259 4.286 4.550 -0.008 0.000 0.290 791 Y C 2.433 178.263 175.900 -0.117 0.000 1.144 791 Y CA 1.530 59.501 58.100 -0.215 0.000 1.228 791 Y CB -0.023 38.101 38.460 -0.559 0.000 0.985 791 Y HN 0.054 nan 8.280 nan 0.000 0.542 792 K N -0.041 120.404 120.400 0.075 0.000 2.280 792 K HA -0.153 4.162 4.320 -0.010 0.000 0.202 792 K C 0.367 176.954 176.600 -0.022 0.000 1.047 792 K CA 0.881 57.191 56.287 0.040 0.000 0.942 792 K CB -0.100 32.460 32.500 0.100 0.000 0.739 792 K HN 0.050 nan 8.250 nan 0.000 0.457 793 N N 0.274 118.976 118.700 0.003 0.000 2.816 793 N HA 0.132 4.867 4.740 -0.010 0.000 0.236 793 N C -2.439 173.071 175.510 -0.001 0.000 1.076 793 N CA -2.186 50.869 53.050 0.009 0.000 0.902 793 N CB 1.203 39.726 38.487 0.060 0.000 1.149 793 N HN -0.184 nan 8.380 nan 0.000 0.506 794 P HA -0.156 nan 4.420 nan 0.000 0.216 794 P C 1.343 178.650 177.300 0.012 0.000 1.150 794 P CA 1.061 64.085 63.100 -0.128 0.000 0.843 794 P CB 0.414 32.015 31.700 -0.166 0.000 0.787 795 R N -0.022 120.488 120.500 0.016 0.000 2.075 795 R HA -0.118 4.216 4.340 -0.010 0.000 0.232 795 R C 1.900 178.240 176.300 0.066 0.000 1.126 795 R CA 1.252 57.373 56.100 0.034 0.000 0.963 795 R CB -0.250 30.061 30.300 0.019 0.000 0.858 795 R HN 0.074 nan 8.270 nan 0.000 0.435 796 E N -0.007 120.244 120.200 0.085 0.000 2.112 796 E HA -0.205 4.139 4.350 -0.010 0.000 0.190 796 E C 1.594 178.271 176.600 0.128 0.000 0.979 796 E CA 0.531 56.985 56.400 0.090 0.000 0.814 796 E CB -0.449 29.303 29.700 0.085 0.000 0.762 796 E HN 0.481 nan 8.360 nan 0.000 0.460 797 W N 2.318 123.617 121.300 -0.002 0.000 2.317 797 W HA -0.235 4.418 4.660 -0.011 0.000 0.318 797 W C 1.688 178.210 176.519 0.005 0.000 1.227 797 W CA 2.337 59.693 57.345 0.018 0.000 1.269 797 W CB -0.515 28.924 29.460 -0.034 0.000 1.155 797 W HN 0.046 nan 8.180 nan 0.000 0.484 798 T N 1.054 115.743 114.554 0.225 0.000 2.788 798 T HA -0.173 4.171 4.350 -0.010 0.000 0.268 798 T C 1.851 176.557 174.700 0.010 0.000 1.044 798 T CA 1.728 63.890 62.100 0.103 0.000 1.139 798 T CB -0.313 68.601 68.868 0.077 0.000 0.867 798 T HN 0.180 nan 8.240 nan 0.000 0.454 799 R N 0.428 120.941 120.500 0.021 0.000 2.081 799 R HA 0.075 4.409 4.340 -0.010 0.000 0.235 799 R C 2.525 178.811 176.300 -0.023 0.000 1.131 799 R CA 1.275 57.385 56.100 0.016 0.000 0.960 799 R CB -0.342 29.975 30.300 0.029 0.000 0.856 799 R HN 0.357 nan 8.270 nan 0.000 0.436 800 M N 0.467 120.018 119.600 -0.081 0.000 2.159 800 M HA -0.159 4.315 4.480 -0.010 0.000 0.263 800 M C 1.966 178.167 176.300 -0.166 0.000 1.063 800 M CA 1.419 56.632 55.300 -0.145 0.000 1.110 800 M CB 0.122 32.581 32.600 -0.236 0.000 1.374 800 M HN 0.001 nan 8.290 nan 0.000 0.411 801 V N 0.984 120.775 119.914 -0.206 0.000 2.252 801 V HA -0.335 3.779 4.120 -0.010 0.000 0.249 801 V C 2.201 178.267 176.094 -0.046 0.000 1.056 801 V CA 2.222 64.433 62.300 -0.148 0.000 1.022 801 V CB -0.661 31.098 31.823 -0.107 0.000 0.641 801 V HN 0.513 nan 8.190 nan 0.000 0.445 802 I N -0.664 119.901 120.570 -0.008 0.000 2.264 802 I HA -0.274 3.890 4.170 -0.010 0.000 0.248 802 I C 2.697 178.859 176.117 0.075 0.000 1.111 802 I CA 1.615 62.959 61.300 0.073 0.000 1.382 802 I CB -0.432 37.662 38.000 0.156 0.000 1.060 802 I HN 0.206 nan 8.210 nan 0.000 0.418 803 R N 0.372 120.894 120.500 0.036 0.000 2.115 803 R HA -0.102 4.232 4.340 -0.010 0.000 0.230 803 R C 2.045 178.376 176.300 0.052 0.000 1.111 803 R CA 1.123 57.245 56.100 0.038 0.000 0.976 803 R CB -0.376 29.932 30.300 0.013 0.000 0.870 803 R HN 0.538 nan 8.270 nan 0.000 0.445 804 N N 0.659 119.380 118.700 0.035 0.000 2.109 804 N HA -0.094 4.640 4.740 -0.010 0.000 0.188 804 N C 1.968 177.534 175.510 0.094 0.000 1.034 804 N CA 1.142 54.236 53.050 0.074 0.000 0.846 804 N CB -0.062 38.431 38.487 0.009 0.000 1.010 804 N HN 0.117 nan 8.380 nan 0.000 0.425 805 I N 1.645 122.256 120.570 0.069 0.000 2.194 805 I HA -0.256 3.908 4.170 -0.010 0.000 0.246 805 I C 2.464 178.630 176.117 0.081 0.000 1.093 805 I CA 0.948 62.294 61.300 0.077 0.000 1.355 805 I CB -0.348 37.691 38.000 0.064 0.000 1.046 805 I HN 0.110 nan 8.210 nan 0.000 0.413 806 A N 0.370 123.238 122.820 0.080 0.000 2.015 806 A HA -0.160 4.154 4.320 -0.010 0.000 0.219 806 A C 2.112 179.733 177.584 0.062 0.000 1.163 806 A CA 2.055 54.131 52.037 0.065 0.000 0.646 806 A CB -0.823 18.219 19.000 0.070 0.000 0.806 806 A HN 0.536 nan 8.150 nan 0.000 0.448 807 T N -2.854 111.751 114.554 0.086 0.000 3.176 807 T HA 0.179 4.524 4.350 -0.010 0.000 0.263 807 T C 1.162 175.950 174.700 0.147 0.000 1.021 807 T CA 0.643 62.797 62.100 0.089 0.000 0.905 807 T CB -0.167 68.754 68.868 0.089 0.000 1.057 807 T HN 0.484 nan 8.240 nan 0.000 0.558 808 S N 0.179 115.984 115.700 0.174 0.000 2.603 808 S HA 0.235 4.699 4.470 -0.010 0.000 0.220 808 S C 2.205 176.930 174.600 0.209 0.000 0.967 808 S CA 0.283 58.658 58.200 0.292 0.000 0.920 808 S CB -0.671 62.674 63.200 0.242 0.000 0.773 808 S HN 0.526 nan 8.310 nan 0.000 0.529 809 G N 2.654 111.499 108.800 0.074 0.000 2.469 809 G HA2 -0.295 3.659 3.960 -0.010 0.000 0.220 809 G HA3 -0.295 3.659 3.960 -0.010 0.000 0.220 809 G C 1.319 176.165 174.900 -0.091 0.000 1.136 809 G CA 1.038 46.148 45.100 0.015 0.000 0.759 809 G HN 0.619 nan 8.290 nan 0.000 0.562 810 K N -0.184 120.034 120.400 -0.303 0.000 2.281 810 K HA -0.038 4.276 4.320 -0.010 0.000 0.203 810 K C 1.220 177.489 176.600 -0.551 0.000 1.046 810 K CA 0.814 56.775 56.287 -0.544 0.000 0.938 810 K CB -0.265 31.702 32.500 -0.888 0.000 0.737 810 K HN 0.427 nan 8.250 nan 0.000 0.458 811 F N 0.641 120.621 119.950 0.051 0.000 2.645 811 F HA 0.154 4.675 4.527 -0.010 0.000 0.300 811 F C 0.749 176.595 175.800 0.077 0.000 1.115 811 F CA -0.670 57.367 58.000 0.062 0.000 1.355 811 F CB 0.530 39.563 39.000 0.055 0.000 1.026 811 F HN -0.126 nan 8.300 nan 0.000 0.536 812 S N 0.462 116.251 115.700 0.148 0.000 2.531 812 S HA 0.039 4.503 4.470 -0.010 0.000 0.279 812 S C 1.472 176.157 174.600 0.142 0.000 1.305 812 S CA -0.131 58.151 58.200 0.135 0.000 1.058 812 S CB 0.740 63.989 63.200 0.081 0.000 0.899 812 S HN 0.373 nan 8.310 nan 0.000 0.493 813 S N 3.380 119.190 115.700 0.182 0.000 2.507 813 S HA -0.089 4.375 4.470 -0.010 0.000 0.235 813 S C 0.964 175.622 174.600 0.096 0.000 0.988 813 S CA 0.779 59.106 58.200 0.211 0.000 0.944 813 S CB -0.343 63.060 63.200 0.338 0.000 0.762 813 S HN 0.792 nan 8.310 nan 0.000 0.526 814 D N 1.930 122.372 120.400 0.068 0.000 2.117 814 D HA -0.084 4.550 4.640 -0.010 0.000 0.197 814 D C 2.105 178.413 176.300 0.012 0.000 0.987 814 D CA 0.810 54.828 54.000 0.029 0.000 0.829 814 D CB -0.351 40.463 40.800 0.024 0.000 0.961 814 D HN 0.290 nan 8.370 nan 0.000 0.460 815 R N 0.809 121.318 120.500 0.016 0.000 2.073 815 R HA -0.097 4.237 4.340 -0.010 0.000 0.234 815 R C 1.913 178.208 176.300 -0.008 0.000 1.134 815 R CA 1.489 57.584 56.100 -0.008 0.000 0.952 815 R CB -0.814 29.469 30.300 -0.029 0.000 0.850 815 R HN 0.134 nan 8.270 nan 0.000 0.433 816 T N 2.221 116.793 114.554 0.030 0.000 2.652 816 T HA -0.131 4.213 4.350 -0.010 0.000 0.267 816 T C 1.941 176.648 174.700 0.010 0.000 1.039 816 T CA 1.434 63.569 62.100 0.057 0.000 1.153 816 T CB -0.139 68.837 68.868 0.181 0.000 0.863 816 T HN 0.114 nan 8.240 nan 0.000 0.428 817 I N 1.655 122.158 120.570 -0.110 0.000 2.286 817 I HA -0.095 4.069 4.170 -0.010 0.000 0.248 817 I C 2.941 179.021 176.117 -0.062 0.000 1.115 817 I CA 0.988 62.190 61.300 -0.165 0.000 1.392 817 I CB -1.612 36.286 38.000 -0.171 0.000 1.065 817 I HN 0.199 nan 8.210 nan 0.000 0.418 818 A N 0.269 123.069 122.820 -0.034 0.000 1.940 818 A HA -0.249 4.065 4.320 -0.010 0.000 0.219 818 A C 2.252 179.796 177.584 -0.067 0.000 1.176 818 A CA 1.557 53.579 52.037 -0.025 0.000 0.631 818 A CB -0.562 18.429 19.000 -0.016 0.000 0.814 818 A HN 0.524 nan 8.150 nan 0.000 0.446 819 Q N -1.874 117.868 119.800 -0.097 0.000 2.083 819 Q HA -0.154 4.180 4.340 -0.010 0.000 0.198 819 Q C 1.949 177.779 176.000 -0.283 0.000 0.969 819 Q CA 1.603 57.306 55.803 -0.166 0.000 0.838 819 Q CB -0.324 28.307 28.738 -0.179 0.000 0.900 819 Q HN 0.817 nan 8.270 nan 0.000 0.436 820 Y N 0.703 120.718 120.300 -0.475 0.000 2.128 820 Y HA -0.307 4.237 4.550 -0.010 0.000 0.284 820 Y C 2.492 177.823 175.900 -0.949 0.000 1.154 820 Y CA 1.278 58.840 58.100 -0.896 0.000 1.149 820 Y CB -0.451 37.159 38.460 -1.416 0.000 0.976 820 Y HN 0.170 nan 8.280 nan 0.000 0.505 821 A N 0.275 122.871 122.820 -0.373 0.000 1.865 821 A HA -0.224 4.090 4.320 -0.010 0.000 0.217 821 A C 2.243 179.839 177.584 0.020 0.000 1.191 821 A CA 2.047 54.106 52.037 0.035 0.000 0.623 821 A CB -0.562 18.537 19.000 0.165 0.000 0.826 821 A HN 0.429 nan 8.150 nan 0.000 0.444 822 R N -0.715 119.758 120.500 -0.045 0.000 2.093 822 R HA -0.024 4.311 4.340 -0.010 0.000 0.224 822 R C 1.836 178.112 176.300 -0.041 0.000 1.101 822 R CA 1.457 57.544 56.100 -0.023 0.000 0.979 822 R CB -0.172 30.111 30.300 -0.029 0.000 0.877 822 R HN 0.659 nan 8.270 nan 0.000 0.441 823 E N -0.467 119.668 120.200 -0.109 0.000 2.415 823 E HA 0.088 4.432 4.350 -0.010 0.000 0.197 823 E C 1.428 177.978 176.600 -0.083 0.000 1.007 823 E CA 0.451 56.791 56.400 -0.099 0.000 0.890 823 E CB 0.536 30.151 29.700 -0.142 0.000 0.891 823 E HN 0.296 nan 8.360 nan 0.000 0.496 824 I N -1.140 119.345 120.570 -0.141 0.000 3.739 824 I HA 0.024 4.189 4.170 -0.010 0.000 0.272 824 I C 1.321 177.568 176.117 0.218 0.000 1.167 824 I CA -0.062 61.214 61.300 -0.040 0.000 1.386 824 I CB 0.260 38.103 38.000 -0.261 0.000 1.490 824 I HN 0.109 nan 8.210 nan 0.000 0.452 825 W N 1.510 122.903 121.300 0.154 0.000 2.737 825 W HA 0.343 4.997 4.660 -0.010 0.000 0.262 825 W C 1.431 177.990 176.519 0.066 0.000 1.282 825 W CA 0.767 58.187 57.345 0.124 0.000 1.386 825 W CB -1.038 28.483 29.460 0.103 0.000 1.099 825 W HN 0.298 nan 8.180 nan 0.000 0.621 826 G N 1.345 110.285 108.800 0.234 0.000 2.289 826 G HA2 -0.080 3.874 3.960 -0.010 0.000 0.280 826 G HA3 -0.080 3.874 3.960 -0.010 0.000 0.280 826 G C -0.377 174.596 174.900 0.123 0.000 1.089 826 G CA 0.236 45.415 45.100 0.132 0.000 0.939 826 G HN 0.450 nan 8.290 nan 0.000 0.499 827 V N -4.302 115.702 119.914 0.150 0.000 3.007 827 V HA 0.908 5.022 4.120 -0.010 0.000 0.311 827 V C -0.445 175.710 176.094 0.100 0.000 1.120 827 V CA -1.672 60.698 62.300 0.117 0.000 0.980 827 V CB 2.346 34.246 31.823 0.128 0.000 1.033 827 V HN 0.150 nan 8.190 nan 0.000 0.429 828 E N 2.910 123.152 120.200 0.070 0.000 2.174 828 E HA 0.550 4.895 4.350 -0.010 0.000 0.282 828 E C -2.568 174.069 176.600 0.062 0.000 0.992 828 E CA -1.741 54.693 56.400 0.057 0.000 0.803 828 E CB 1.698 31.423 29.700 0.042 0.000 1.090 828 E HN 0.704 nan 8.360 nan 0.000 0.396 829 P HA 0.090 nan 4.420 nan 0.000 0.272 829 P C -0.666 176.664 177.300 0.049 0.000 1.223 829 P CA -0.227 62.907 63.100 0.057 0.000 0.784 829 P CB 0.698 32.427 31.700 0.048 0.000 0.923 830 S N 1.180 116.911 115.700 0.052 0.000 2.614 830 S HA 0.330 4.794 4.470 -0.010 0.000 0.288 830 S C 0.381 175.007 174.600 0.044 0.000 1.137 830 S CA -0.736 57.493 58.200 0.048 0.000 0.992 830 S CB 0.755 63.991 63.200 0.060 0.000 1.026 830 S HN 0.225 nan 8.310 nan 0.000 0.486 831 R N 2.460 122.982 120.500 0.035 0.000 2.359 831 R HA 0.189 4.523 4.340 -0.010 0.000 0.231 831 R C -0.019 176.295 176.300 0.023 0.000 0.913 831 R CA 0.088 56.207 56.100 0.032 0.000 1.075 831 R CB 0.112 30.430 30.300 0.031 0.000 1.087 831 R HN 0.687 nan 8.270 nan 0.000 0.515 832 Q N 0.928 120.741 119.800 0.021 0.000 2.314 832 Q HA 0.140 4.474 4.340 -0.010 0.000 0.258 832 Q C -0.280 175.717 176.000 -0.006 0.000 0.954 832 Q CA -0.111 55.697 55.803 0.008 0.000 0.890 832 Q CB 0.940 29.685 28.738 0.011 0.000 1.210 832 Q HN -0.218 nan 8.270 nan 0.000 0.410 833 R N 1.425 121.912 120.500 -0.021 0.000 2.590 833 R HA 0.147 4.481 4.340 -0.010 0.000 0.274 833 R C -0.446 175.817 176.300 -0.062 0.000 1.061 833 R CA 0.155 56.230 56.100 -0.041 0.000 1.081 833 R CB 0.259 30.532 30.300 -0.044 0.000 0.984 833 R HN 0.498 nan 8.270 nan 0.000 0.448 834 L N 5.393 126.564 121.223 -0.086 0.000 2.418 834 L HA 0.370 4.705 4.340 -0.010 0.000 0.265 834 L C -1.682 175.132 176.870 -0.093 0.000 1.143 834 L CA -2.015 52.746 54.840 -0.131 0.000 0.809 834 L CB 1.014 42.968 42.059 -0.176 0.000 1.124 834 L HN 0.481 nan 8.230 nan 0.000 0.456 835 P HA 0.067 nan 4.420 nan 0.000 0.268 835 P C -0.651 176.619 177.300 -0.049 0.000 1.204 835 P CA -0.250 62.815 63.100 -0.059 0.000 0.768 835 P CB 0.825 32.494 31.700 -0.051 0.000 0.842 836 A N 0.000 122.799 122.820 -0.035 0.000 2.254 836 A HA 0.000 4.314 4.320 -0.010 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 836 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486