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 3ms4_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.029 0.000 1.003 12 Q CA 0.000 55.772 55.803 -0.051 0.000 1.022 12 Q CB 0.000 28.700 28.738 -0.064 0.000 1.108 13 I N -0.202 120.356 120.570 -0.020 0.000 2.525 13 I HA 0.512 4.672 4.170 -0.017 0.000 0.301 13 I C 0.939 177.056 176.117 -0.001 0.000 0.992 13 I CA -0.036 61.261 61.300 -0.006 0.000 1.162 13 I CB 2.015 40.016 38.000 0.002 0.000 1.332 13 I HN 0.308 nan 8.210 nan 0.000 0.458 14 S N 3.765 119.470 115.700 0.009 0.000 2.351 14 S HA -0.170 4.290 4.470 -0.017 0.000 0.220 14 S C 1.789 176.397 174.600 0.013 0.000 1.035 14 S CA 2.113 60.320 58.200 0.011 0.000 1.031 14 S CB -0.647 62.565 63.200 0.020 0.000 0.928 14 S HN 0.856 nan 8.310 nan 0.000 0.433 15 V N 0.246 120.175 119.914 0.026 0.000 3.140 15 V HA 0.067 4.177 4.120 -0.017 0.000 0.269 15 V C 1.865 177.971 176.094 0.020 0.000 1.149 15 V CA 1.537 63.854 62.300 0.029 0.000 1.162 15 V CB -1.173 30.674 31.823 0.040 0.000 0.756 15 V HN 0.399 nan 8.190 nan 0.000 0.523 16 R N 1.227 121.731 120.500 0.007 0.000 2.320 16 R HA 0.435 4.765 4.340 -0.017 0.000 0.211 16 R C 1.185 177.476 176.300 -0.016 0.000 0.931 16 R CA 0.519 56.617 56.100 -0.003 0.000 1.071 16 R CB -0.074 30.221 30.300 -0.009 0.000 1.025 16 R HN 0.774 nan 8.270 nan 0.000 0.495 17 G N 0.753 109.543 108.800 -0.017 0.000 2.760 17 G HA2 -0.232 3.718 3.960 -0.017 0.000 0.246 17 G HA3 -0.232 3.718 3.960 -0.017 0.000 0.246 17 G C -0.845 174.038 174.900 -0.028 0.000 1.359 17 G CA -1.056 44.026 45.100 -0.030 0.000 0.861 17 G HN -0.012 nan 8.290 nan 0.000 0.541 18 L N 0.525 121.729 121.223 -0.032 0.000 2.371 18 L HA 0.626 4.956 4.340 -0.017 0.000 0.272 18 L C 1.263 178.117 176.870 -0.026 0.000 1.124 18 L CA 0.490 55.315 54.840 -0.026 0.000 0.816 18 L CB 0.952 42.997 42.059 -0.024 0.000 1.129 18 L HN 1.504 nan 8.230 nan 0.000 0.448 19 A N 2.898 125.706 122.820 -0.021 0.000 3.079 19 A HA 0.583 4.893 4.320 -0.017 0.000 0.315 19 A C 0.703 178.281 177.584 -0.009 0.000 1.334 19 A CA -0.340 51.688 52.037 -0.016 0.000 1.048 19 A CB -0.323 18.667 19.000 -0.017 0.000 1.156 19 A HN 0.794 nan 8.150 nan 0.000 0.523 20 G N -0.147 108.648 108.800 -0.009 0.000 2.544 20 G HA2 0.352 4.302 3.960 -0.017 0.000 0.242 20 G HA3 0.352 4.302 3.960 -0.017 0.000 0.242 20 G C 0.983 175.885 174.900 0.004 0.000 1.247 20 G CA -0.046 45.053 45.100 -0.003 0.000 0.840 20 G HN 0.462 nan 8.290 nan 0.000 0.578 21 V N 1.345 121.263 119.914 0.006 0.000 2.343 21 V HA -0.160 3.950 4.120 -0.017 0.000 0.247 21 V C 2.651 178.753 176.094 0.014 0.000 1.051 21 V CA 2.361 64.666 62.300 0.010 0.000 1.036 21 V CB -0.631 31.197 31.823 0.008 0.000 0.654 21 V HN 0.821 nan 8.190 nan 0.000 0.451 22 E N 0.572 120.780 120.200 0.014 0.000 2.051 22 E HA -0.189 4.151 4.350 -0.017 0.000 0.192 22 E C 2.078 178.696 176.600 0.029 0.000 0.991 22 E CA 1.516 57.928 56.400 0.020 0.000 0.799 22 E CB -0.219 29.491 29.700 0.017 0.000 0.748 22 E HN 0.573 nan 8.360 nan 0.000 0.449 23 N N -0.644 118.071 118.700 0.026 0.000 2.084 23 N HA -0.141 4.589 4.740 -0.017 0.000 0.190 23 N C 1.682 177.216 175.510 0.039 0.000 1.030 23 N CA 1.381 54.451 53.050 0.033 0.000 0.849 23 N CB -0.314 38.178 38.487 0.009 0.000 1.012 23 N HN 0.016 nan 8.380 nan 0.000 0.423 24 V N 0.345 120.274 119.914 0.025 0.000 2.332 24 V HA -0.231 3.879 4.120 -0.017 0.000 0.248 24 V C 2.023 178.137 176.094 0.032 0.000 1.055 24 V CA 1.955 64.270 62.300 0.025 0.000 1.038 24 V CB -0.969 30.864 31.823 0.017 0.000 0.651 24 V HN 0.408 nan 8.190 nan 0.000 0.450 25 T N -0.817 113.756 114.554 0.031 0.000 2.821 25 T HA -0.195 4.145 4.350 -0.017 0.000 0.267 25 T C 1.900 176.630 174.700 0.050 0.000 1.046 25 T CA 1.619 63.738 62.100 0.032 0.000 1.139 25 T CB -0.163 68.720 68.868 0.025 0.000 0.871 25 T HN 0.422 nan 8.240 nan 0.000 0.454 26 E N 1.055 121.291 120.200 0.061 0.000 2.047 26 E HA 0.006 4.346 4.350 -0.017 0.000 0.191 26 E C 2.103 178.775 176.600 0.120 0.000 0.987 26 E CA 0.805 57.255 56.400 0.083 0.000 0.799 26 E CB -0.507 29.248 29.700 0.092 0.000 0.752 26 E HN 0.413 nan 8.360 nan 0.000 0.449 27 L N 0.263 121.567 121.223 0.135 0.000 2.043 27 L HA -0.252 4.078 4.340 -0.017 0.000 0.212 27 L C 2.401 179.375 176.870 0.173 0.000 1.075 27 L CA 1.569 56.514 54.840 0.175 0.000 0.752 27 L CB -0.435 41.703 42.059 0.133 0.000 0.891 27 L HN 0.086 nan 8.230 nan 0.000 0.432 28 K N 0.491 120.950 120.400 0.100 0.000 2.057 28 K HA -0.204 4.106 4.320 -0.017 0.000 0.207 28 K C 2.147 178.835 176.600 0.147 0.000 1.049 28 K CA 1.794 58.126 56.287 0.074 0.000 0.931 28 K CB -0.075 32.433 32.500 0.014 0.000 0.714 28 K HN 0.415 nan 8.250 nan 0.000 0.440 29 K N -0.017 120.456 120.400 0.121 0.000 2.167 29 K HA -0.004 4.306 4.320 -0.017 0.000 0.203 29 K C 1.512 178.193 176.600 0.134 0.000 1.052 29 K CA 1.093 57.448 56.287 0.113 0.000 0.956 29 K CB -0.041 32.500 32.500 0.068 0.000 0.735 29 K HN -0.005 nan 8.250 nan 0.000 0.451 30 N N 0.667 119.457 118.700 0.151 0.000 2.270 30 N HA -0.108 4.622 4.740 -0.017 0.000 0.181 30 N C 1.572 177.229 175.510 0.245 0.000 1.016 30 N CA 0.885 54.017 53.050 0.138 0.000 0.870 30 N CB -0.260 38.314 38.487 0.144 0.000 0.979 30 N HN 0.194 nan 8.380 nan 0.000 0.431 31 F N 2.635 122.681 119.950 0.161 0.000 2.069 31 F HA -0.147 4.370 4.527 -0.016 0.000 0.298 31 F C 2.036 177.938 175.800 0.170 0.000 1.113 31 F CA 1.386 59.496 58.000 0.183 0.000 1.214 31 F CB -0.140 38.938 39.000 0.130 0.000 0.978 31 F HN -0.009 nan 8.300 nan 0.000 0.474 32 N N 0.311 119.246 118.700 0.391 0.000 2.244 32 N HA -0.168 4.562 4.740 -0.017 0.000 0.183 32 N C 2.013 177.621 175.510 0.163 0.000 1.016 32 N CA 1.019 54.224 53.050 0.259 0.000 0.866 32 N CB -0.521 38.093 38.487 0.212 0.000 0.980 32 N HN 0.372 nan 8.380 nan 0.000 0.430 33 R N 0.392 120.979 120.500 0.145 0.000 2.080 33 R HA -0.119 4.211 4.340 -0.017 0.000 0.236 33 R C 1.869 178.263 176.300 0.158 0.000 1.137 33 R CA 1.559 57.764 56.100 0.175 0.000 0.943 33 R CB -0.237 30.070 30.300 0.012 0.000 0.846 33 R HN 0.375 nan 8.270 nan 0.000 0.431 34 H N -0.348 118.775 119.070 0.087 0.000 2.353 34 H HA -0.149 4.397 4.556 -0.017 0.000 0.300 34 H C 1.918 177.187 175.328 -0.098 0.000 1.090 34 H CA 1.554 57.581 56.048 -0.034 0.000 1.327 34 H CB -0.009 29.683 29.762 -0.116 0.000 1.383 34 H HN 0.127 nan 8.280 nan 0.000 0.508 35 L N 0.013 121.230 121.223 -0.009 0.000 2.081 35 L HA -0.222 4.108 4.340 -0.017 0.000 0.212 35 L C 2.148 179.009 176.870 -0.016 0.000 1.080 35 L CA 1.927 56.736 54.840 -0.051 0.000 0.754 35 L CB -0.415 41.640 42.059 -0.007 0.000 0.893 35 L HN 0.334 nan 8.230 nan 0.000 0.433 36 H N -2.058 116.954 119.070 -0.095 0.000 2.300 36 H HA -0.009 4.537 4.556 -0.017 0.000 0.312 36 H C 1.820 176.965 175.328 -0.304 0.000 1.057 36 H CA 1.924 57.824 56.048 -0.247 0.000 1.380 36 H CB -0.284 29.254 29.762 -0.373 0.000 1.424 36 H HN 0.247 nan 8.280 nan 0.000 0.534 37 F N -0.219 119.726 119.950 -0.008 0.000 2.293 37 F HA -0.033 4.483 4.527 -0.017 0.000 0.297 37 F C 2.502 178.238 175.800 -0.108 0.000 1.089 37 F CA 1.427 59.380 58.000 -0.078 0.000 1.377 37 F CB -0.279 38.710 39.000 -0.018 0.000 1.051 37 F HN 0.200 nan 8.300 nan 0.000 0.511 38 T N -0.318 114.276 114.554 0.067 0.000 2.983 38 T HA 0.105 4.445 4.350 -0.017 0.000 0.250 38 T C 1.912 176.512 174.700 -0.166 0.000 1.037 38 T CA 0.755 62.819 62.100 -0.059 0.000 1.142 38 T CB -0.182 68.625 68.868 -0.102 0.000 0.876 38 T HN 0.108 nan 8.240 nan 0.000 0.455 39 L N 1.176 122.297 121.223 -0.170 0.000 2.554 39 L HA 0.215 4.545 4.340 -0.017 0.000 0.225 39 L C 0.397 177.164 176.870 -0.170 0.000 1.104 39 L CA -0.073 54.654 54.840 -0.188 0.000 0.866 39 L CB 0.063 42.016 42.059 -0.177 0.000 1.047 39 L HN -0.019 nan 8.230 nan 0.000 0.468 40 V N 0.395 120.193 119.914 -0.194 0.000 5.820 40 V HA -0.285 3.825 4.120 -0.017 0.000 0.300 40 V C 0.067 176.047 176.094 -0.191 0.000 0.585 40 V CA 1.160 63.317 62.300 -0.237 0.000 0.629 40 V CB -2.273 29.436 31.823 -0.190 0.000 0.291 40 V HN 0.415 nan 8.190 nan 0.000 0.887 41 K N 1.130 121.430 120.400 -0.166 0.000 2.433 41 K HA 0.747 5.057 4.320 -0.017 0.000 0.252 41 K C -0.444 176.127 176.600 -0.048 0.000 1.015 41 K CA -0.505 55.720 56.287 -0.104 0.000 0.860 41 K CB 2.756 35.197 32.500 -0.099 0.000 1.359 41 K HN 0.523 nan 8.250 nan 0.000 0.452 42 D N -0.430 119.966 120.400 -0.008 0.000 2.477 42 D HA 0.273 4.903 4.640 -0.017 0.000 0.234 42 D C 0.544 176.885 176.300 0.067 0.000 1.048 42 D CA -0.605 53.426 54.000 0.052 0.000 0.959 42 D CB 1.129 41.961 40.800 0.055 0.000 1.408 42 D HN 0.134 nan 8.370 nan 0.000 0.496 43 R N 0.215 120.785 120.500 0.117 0.000 2.261 43 R HA -0.060 4.270 4.340 -0.017 0.000 0.236 43 R C 0.856 177.232 176.300 0.126 0.000 1.141 43 R CA 0.665 56.870 56.100 0.176 0.000 1.001 43 R CB -0.626 29.782 30.300 0.179 0.000 0.866 43 R HN 0.524 nan 8.270 nan 0.000 0.468 44 N N 0.159 118.901 118.700 0.070 0.000 2.422 44 N HA -0.060 4.670 4.740 -0.017 0.000 0.181 44 N C 1.616 177.143 175.510 0.028 0.000 1.080 44 N CA 1.019 54.099 53.050 0.049 0.000 0.893 44 N CB 0.456 38.963 38.487 0.033 0.000 0.973 44 N HN 0.227 nan 8.380 nan 0.000 0.456 45 V N -2.722 117.197 119.914 0.008 0.000 3.572 45 V HA 0.483 4.593 4.120 -0.017 0.000 0.260 45 V C 0.965 177.023 176.094 -0.060 0.000 1.324 45 V CA -0.350 61.938 62.300 -0.020 0.000 1.068 45 V CB -0.411 31.396 31.823 -0.028 0.000 0.837 45 V HN 0.027 nan 8.190 nan 0.000 0.450 46 A N 2.700 125.461 122.820 -0.099 0.000 2.546 46 A HA 0.505 4.815 4.320 -0.017 0.000 0.243 46 A C 0.789 178.184 177.584 -0.314 0.000 1.063 46 A CA 0.875 52.744 52.037 -0.281 0.000 0.757 46 A CB -0.418 18.290 19.000 -0.487 0.000 0.991 46 A HN 0.839 nan 8.150 nan 0.000 0.503 47 T N 0.743 115.123 114.554 -0.290 0.000 2.912 47 T HA 0.535 4.875 4.350 -0.017 0.000 0.280 47 T C -2.018 172.555 174.700 -0.212 0.000 0.989 47 T CA -1.675 60.325 62.100 -0.167 0.000 0.995 47 T CB 0.960 69.787 68.868 -0.069 0.000 1.077 47 T HN 0.281 nan 8.240 nan 0.000 0.531 48 P HA -0.118 nan 4.420 nan 0.000 0.216 48 P C 1.630 179.014 177.300 0.140 0.000 1.150 48 P CA 1.010 64.210 63.100 0.168 0.000 0.843 48 P CB 0.041 31.823 31.700 0.138 0.000 0.787 49 R N 0.050 120.588 120.500 0.064 0.000 2.081 49 R HA -0.147 4.183 4.340 -0.017 0.000 0.235 49 R C 1.712 178.157 176.300 0.241 0.000 1.131 49 R CA 1.854 58.029 56.100 0.125 0.000 0.960 49 R CB -0.729 29.588 30.300 0.027 0.000 0.856 49 R HN 0.101 nan 8.270 nan 0.000 0.436 50 D N -0.365 120.070 120.400 0.059 0.000 2.123 50 D HA -0.198 4.432 4.640 -0.017 0.000 0.196 50 D C 1.734 178.051 176.300 0.027 0.000 0.992 50 D CA 1.327 55.322 54.000 -0.007 0.000 0.833 50 D CB -0.290 40.374 40.800 -0.227 0.000 0.954 50 D HN 0.313 nan 8.370 nan 0.000 0.455 51 Y N 0.162 120.554 120.300 0.153 0.000 2.200 51 Y HA -0.204 4.336 4.550 -0.016 0.000 0.290 51 Y C 2.349 178.367 175.900 0.198 0.000 1.137 51 Y CA 0.263 58.492 58.100 0.216 0.000 1.163 51 Y CB -1.260 37.395 38.460 0.325 0.000 0.988 51 Y HN 0.078 nan 8.280 nan 0.000 0.518 52 Y N -0.382 120.052 120.300 0.224 0.000 2.114 52 Y HA -0.312 4.228 4.550 -0.017 0.000 0.282 52 Y C 2.018 177.901 175.900 -0.030 0.000 1.165 52 Y CA 1.404 59.538 58.100 0.056 0.000 1.148 52 Y CB -1.168 37.225 38.460 -0.111 0.000 0.972 52 Y HN 0.058 nan 8.280 nan 0.000 0.504 53 F N 0.042 119.779 119.950 -0.356 0.000 2.186 53 F HA -0.128 4.389 4.527 -0.016 0.000 0.299 53 F C 2.616 178.239 175.800 -0.294 0.000 1.090 53 F CA 1.164 58.902 58.000 -0.437 0.000 1.307 53 F CB -0.709 38.185 39.000 -0.177 0.000 1.019 53 F HN 0.211 nan 8.300 nan 0.000 0.489 54 A N -0.139 122.594 122.820 -0.144 0.000 1.873 54 A HA -0.169 4.141 4.320 -0.017 0.000 0.215 54 A C 2.044 179.476 177.584 -0.253 0.000 1.186 54 A CA 1.471 53.290 52.037 -0.362 0.000 0.616 54 A CB -1.017 17.451 19.000 -0.887 0.000 0.823 54 A HN 0.328 nan 8.150 nan 0.000 0.442 55 L N -0.050 121.147 121.223 -0.043 0.000 1.994 55 L HA -0.081 4.249 4.340 -0.017 0.000 0.208 55 L C 2.708 179.591 176.870 0.021 0.000 1.071 55 L CA 2.294 57.263 54.840 0.215 0.000 0.745 55 L CB -1.071 41.189 42.059 0.335 0.000 0.892 55 L HN 0.366 nan 8.230 nan 0.000 0.431 56 A N -1.109 121.572 122.820 -0.231 0.000 1.873 56 A HA -0.329 3.981 4.320 -0.017 0.000 0.218 56 A C 2.172 179.481 177.584 -0.458 0.000 1.193 56 A CA 2.268 54.067 52.037 -0.395 0.000 0.629 56 A CB -1.225 17.245 19.000 -0.883 0.000 0.826 56 A HN 0.696 nan 8.150 nan 0.000 0.447 57 H N -0.851 117.924 119.070 -0.491 0.000 2.387 57 H HA -0.052 4.494 4.556 -0.017 0.000 0.299 57 H C 2.353 177.415 175.328 -0.442 0.000 1.090 57 H CA 1.936 57.607 56.048 -0.628 0.000 1.332 57 H CB -0.382 28.728 29.762 -1.087 0.000 1.386 57 H HN 0.471 nan 8.280 nan 0.000 0.516 58 T N -0.340 114.178 114.554 -0.060 0.000 2.746 58 T HA -0.127 4.213 4.350 -0.017 0.000 0.267 58 T C 2.271 177.127 174.700 0.261 0.000 1.039 58 T CA 1.311 63.547 62.100 0.227 0.000 1.142 58 T CB -0.371 68.699 68.868 0.338 0.000 0.866 58 T HN 0.091 nan 8.240 nan 0.000 0.444 59 V N 2.494 122.541 119.914 0.222 0.000 2.307 59 V HA -0.171 3.939 4.120 -0.017 0.000 0.245 59 V C 2.674 178.948 176.094 0.299 0.000 1.045 59 V CA 1.984 64.468 62.300 0.306 0.000 1.024 59 V CB -0.676 31.314 31.823 0.278 0.000 0.651 59 V HN 0.518 nan 8.190 nan 0.000 0.449 60 R N 0.370 120.972 120.500 0.170 0.000 2.152 60 R HA -0.203 4.127 4.340 -0.017 0.000 0.232 60 R C 1.672 178.040 176.300 0.114 0.000 1.117 60 R CA 2.013 58.207 56.100 0.156 0.000 0.981 60 R CB -0.743 29.499 30.300 -0.096 0.000 0.870 60 R HN 0.385 nan 8.270 nan 0.000 0.451 61 D N 0.829 121.274 120.400 0.075 0.000 2.158 61 D HA -0.169 4.461 4.640 -0.017 0.000 0.197 61 D C 1.696 177.975 176.300 -0.036 0.000 0.995 61 D CA 1.174 55.184 54.000 0.017 0.000 0.846 61 D CB -0.362 40.428 40.800 -0.017 0.000 0.941 61 D HN 0.497 nan 8.370 nan 0.000 0.456 62 H N -0.256 118.869 119.070 0.091 0.000 2.491 62 H HA 0.031 4.577 4.556 -0.016 0.000 0.290 62 H C 2.247 177.610 175.328 0.059 0.000 1.050 62 H CA 0.386 56.474 56.048 0.067 0.000 1.309 62 H CB 0.229 30.025 29.762 0.056 0.000 1.392 62 H HN 0.214 nan 8.280 nan 0.000 0.554 63 L N 0.703 122.027 121.223 0.169 0.000 2.179 63 L HA -0.108 4.222 4.340 -0.017 0.000 0.208 63 L C 2.785 179.757 176.870 0.169 0.000 1.096 63 L CA 0.466 55.375 54.840 0.115 0.000 0.779 63 L CB -0.251 41.842 42.059 0.056 0.000 0.922 63 L HN 0.119 nan 8.230 nan 0.000 0.443 64 V N -2.312 117.711 119.914 0.182 0.000 2.295 64 V HA -0.126 3.984 4.120 -0.017 0.000 0.246 64 V C 2.344 178.541 176.094 0.171 0.000 1.049 64 V CA 1.997 64.435 62.300 0.230 0.000 1.024 64 V CB -1.748 30.172 31.823 0.162 0.000 0.648 64 V HN 0.355 nan 8.190 nan 0.000 0.447 65 G N 0.130 108.991 108.800 0.102 0.000 2.421 65 G HA2 -0.225 3.725 3.960 -0.017 0.000 0.216 65 G HA3 -0.225 3.725 3.960 -0.017 0.000 0.216 65 G C 1.751 176.694 174.900 0.072 0.000 1.171 65 G CA 0.953 46.092 45.100 0.064 0.000 0.775 65 G HN 0.533 nan 8.290 nan 0.000 0.543 66 R N -1.339 119.212 120.500 0.085 0.000 2.091 66 R HA -0.117 4.213 4.340 -0.017 0.000 0.238 66 R C 2.277 178.658 176.300 0.135 0.000 1.136 66 R CA 1.387 57.528 56.100 0.068 0.000 0.959 66 R CB -0.396 29.930 30.300 0.044 0.000 0.856 66 R HN 0.482 nan 8.270 nan 0.000 0.437 67 W N 1.451 122.731 121.300 -0.032 0.000 2.355 67 W HA -0.068 4.582 4.660 -0.016 0.000 0.309 67 W C 1.747 178.241 176.519 -0.043 0.000 1.206 67 W CA 0.910 58.234 57.345 -0.035 0.000 1.284 67 W CB -0.535 28.919 29.460 -0.009 0.000 1.145 67 W HN -0.010 nan 8.180 nan 0.000 0.502 68 I N 0.852 121.476 120.570 0.090 0.000 2.252 68 I HA -0.316 3.844 4.170 -0.017 0.000 0.245 68 I C 2.617 178.715 176.117 -0.032 0.000 1.102 68 I CA 1.948 63.218 61.300 -0.049 0.000 1.385 68 I CB -0.593 37.383 38.000 -0.040 0.000 1.064 68 I HN -0.006 nan 8.210 nan 0.000 0.414 69 R N 0.286 120.782 120.500 -0.006 0.000 2.161 69 R HA -0.012 4.318 4.340 -0.017 0.000 0.213 69 R C 1.917 178.176 176.300 -0.067 0.000 1.055 69 R CA 1.259 57.343 56.100 -0.027 0.000 0.996 69 R CB -0.999 29.286 30.300 -0.026 0.000 0.901 69 R HN 0.124 nan 8.270 nan 0.000 0.456 70 T N 1.721 116.220 114.554 -0.092 0.000 2.652 70 T HA -0.132 4.208 4.350 -0.017 0.000 0.267 70 T C 1.799 176.264 174.700 -0.392 0.000 1.039 70 T CA 1.511 63.456 62.100 -0.259 0.000 1.153 70 T CB -0.160 68.600 68.868 -0.180 0.000 0.863 70 T HN 0.256 nan 8.240 nan 0.000 0.428 71 Q N 0.768 120.475 119.800 -0.155 0.000 2.124 71 Q HA -0.108 4.222 4.340 -0.017 0.000 0.202 71 Q C 2.360 178.374 176.000 0.023 0.000 0.977 71 Q CA 1.333 57.115 55.803 -0.035 0.000 0.850 71 Q CB -0.531 28.200 28.738 -0.010 0.000 0.901 71 Q HN 0.533 nan 8.270 nan 0.000 0.429 72 Q N 0.252 120.050 119.800 -0.002 0.000 2.030 72 Q HA -0.220 4.110 4.340 -0.017 0.000 0.204 72 Q C 1.977 178.058 176.000 0.134 0.000 0.986 72 Q CA 2.029 57.871 55.803 0.066 0.000 0.843 72 Q CB -0.418 28.340 28.738 0.034 0.000 0.904 72 Q HN 0.535 nan 8.270 nan 0.000 0.420 73 H N -1.107 117.924 119.070 -0.065 0.000 2.353 73 H HA -0.200 4.346 4.556 -0.017 0.000 0.298 73 H C 1.225 176.589 175.328 0.060 0.000 1.103 73 H CA 2.304 58.314 56.048 -0.063 0.000 1.293 73 H CB -0.303 29.344 29.762 -0.192 0.000 1.372 73 H HN 0.407 nan 8.280 nan 0.000 0.501 74 Y N -1.377 118.959 120.300 0.059 0.000 2.352 74 Y HA -0.131 4.409 4.550 -0.017 0.000 0.292 74 Y C 2.307 178.239 175.900 0.052 0.000 1.136 74 Y CA 0.844 58.948 58.100 0.007 0.000 1.227 74 Y CB -1.149 37.365 38.460 0.090 0.000 0.991 74 Y HN 0.353 nan 8.280 nan 0.000 0.545 75 Y N 1.251 121.625 120.300 0.123 0.000 2.220 75 Y HA -0.151 4.389 4.550 -0.017 0.000 0.291 75 Y C 2.074 177.984 175.900 0.016 0.000 1.129 75 Y CA 1.595 59.733 58.100 0.063 0.000 1.161 75 Y CB -0.011 38.478 38.460 0.048 0.000 0.997 75 Y HN -0.016 nan 8.280 nan 0.000 0.522 76 E N 0.600 120.802 120.200 0.002 0.000 2.015 76 E HA -0.164 4.176 4.350 -0.017 0.000 0.191 76 E C 2.031 178.548 176.600 -0.139 0.000 0.991 76 E CA 1.413 57.758 56.400 -0.092 0.000 0.802 76 E CB -0.379 29.324 29.700 0.005 0.000 0.759 76 E HN 0.477 nan 8.360 nan 0.000 0.447 77 K N 0.628 120.936 120.400 -0.153 0.000 2.296 77 K HA -0.091 4.219 4.320 -0.017 0.000 0.200 77 K C -0.008 176.528 176.600 -0.105 0.000 1.048 77 K CA 0.592 56.788 56.287 -0.153 0.000 0.966 77 K CB -0.069 32.271 32.500 -0.265 0.000 0.754 77 K HN 0.040 nan 8.250 nan 0.000 0.466 78 D N 0.895 121.244 120.400 -0.085 0.000 2.735 78 D HA -0.101 4.529 4.640 -0.017 0.000 0.235 78 D C -2.393 173.877 176.300 -0.051 0.000 1.175 78 D CA 0.037 53.997 54.000 -0.066 0.000 0.683 78 D CB -0.080 40.652 40.800 -0.112 0.000 1.008 78 D HN 0.168 nan 8.370 nan 0.000 0.416 79 P HA 0.099 nan 4.420 nan 0.000 0.277 79 P C -0.139 177.116 177.300 -0.074 0.000 1.271 79 P CA -0.593 62.470 63.100 -0.062 0.000 0.795 79 P CB 0.609 32.260 31.700 -0.081 0.000 1.101 80 K N 0.996 121.356 120.400 -0.068 0.000 2.412 80 K HA 0.063 4.373 4.320 -0.017 0.000 0.281 80 K C -0.116 176.394 176.600 -0.149 0.000 1.027 80 K CA -0.020 56.219 56.287 -0.079 0.000 0.989 80 K CB 0.217 32.688 32.500 -0.048 0.000 0.935 80 K HN 0.237 nan 8.250 nan 0.000 0.475 81 R N 3.614 124.008 120.500 -0.176 0.000 2.368 81 R HA 0.347 4.677 4.340 -0.017 0.000 0.302 81 R C -0.625 175.400 176.300 -0.458 0.000 1.002 81 R CA -0.508 55.401 56.100 -0.319 0.000 0.929 81 R CB 0.846 30.947 30.300 -0.332 0.000 1.073 81 R HN 0.494 nan 8.270 nan 0.000 0.464 82 I N 4.577 124.825 120.570 -0.536 0.000 2.321 82 I HA 0.215 4.375 4.170 -0.017 0.000 0.291 82 I C -0.609 175.211 176.117 -0.495 0.000 0.998 82 I CA -0.903 60.038 61.300 -0.597 0.000 1.227 82 I CB 0.760 38.279 38.000 -0.801 0.000 1.368 82 I HN 0.529 nan 8.210 nan 0.000 0.466 83 Y N 5.990 126.250 120.300 -0.067 0.000 2.356 83 Y HA 0.290 4.830 4.550 -0.016 0.000 0.334 83 Y C -0.299 175.702 175.900 0.168 0.000 0.958 83 Y CA -0.701 57.483 58.100 0.140 0.000 1.196 83 Y CB 1.141 39.651 38.460 0.083 0.000 1.137 83 Y HN 0.406 nan 8.280 nan 0.000 0.485 84 Y N 4.690 125.165 120.300 0.293 0.000 2.518 84 Y HA 0.478 5.018 4.550 -0.016 0.000 0.344 84 Y C -1.269 174.885 175.900 0.423 0.000 0.982 84 Y CA -1.003 57.273 58.100 0.292 0.000 1.234 84 Y CB 0.253 38.883 38.460 0.282 0.000 1.114 84 Y HN 0.498 nan 8.280 nan 0.000 0.515 85 L N 5.003 126.279 121.223 0.087 0.000 2.265 85 L HA 0.464 4.794 4.340 -0.017 0.000 0.288 85 L C -0.079 176.807 176.870 0.028 0.000 1.058 85 L CA 0.138 55.085 54.840 0.178 0.000 0.809 85 L CB 1.231 43.365 42.059 0.125 0.000 1.179 85 L HN 0.563 nan 8.230 nan 0.000 0.429 86 S N 2.306 118.102 115.700 0.161 0.000 2.541 86 S HA 0.528 4.988 4.470 -0.017 0.000 0.271 86 S C 0.294 174.978 174.600 0.140 0.000 1.133 86 S CA -0.516 57.668 58.200 -0.027 0.000 0.876 86 S CB 1.041 63.971 63.200 -0.450 0.000 1.105 86 S HN 0.484 nan 8.310 nan 0.000 0.470 87 L N 2.693 124.034 121.223 0.196 0.000 2.591 87 L HA 0.430 4.760 4.340 -0.017 0.000 0.228 87 L C 0.294 177.353 176.870 0.316 0.000 1.133 87 L CA 0.925 55.951 54.840 0.309 0.000 0.880 87 L CB -0.053 42.206 42.059 0.333 0.000 1.033 87 L HN 0.633 nan 8.230 nan 0.000 0.450 88 E N -1.133 119.117 120.200 0.083 0.000 2.275 88 E HA 0.393 4.733 4.350 -0.017 0.000 0.270 88 E C -1.405 175.059 176.600 -0.227 0.000 0.882 88 E CA -0.428 56.008 56.400 0.060 0.000 0.758 88 E CB 1.792 31.510 29.700 0.031 0.000 1.195 88 E HN -0.160 nan 8.360 nan 0.000 0.419 89 F N 2.221 122.274 119.950 0.172 0.000 2.610 89 F HA 0.191 4.708 4.527 -0.017 0.000 0.355 89 F C -0.776 175.102 175.800 0.130 0.000 1.140 89 F CA -0.793 57.295 58.000 0.146 0.000 1.037 89 F CB 0.949 40.027 39.000 0.129 0.000 1.287 89 F HN 0.481 nan 8.300 nan 0.000 0.457 90 Y N 5.260 125.630 120.300 0.116 0.000 2.714 90 Y HA 0.233 4.773 4.550 -0.016 0.000 0.333 90 Y C 0.910 176.822 175.900 0.020 0.000 1.220 90 Y CA -1.091 57.026 58.100 0.029 0.000 1.513 90 Y CB 0.365 38.824 38.460 -0.002 0.000 1.435 90 Y HN 0.558 nan 8.280 nan 0.000 0.489 91 M N 1.653 121.393 119.600 0.233 0.000 2.288 91 M HA 0.115 4.585 4.480 -0.017 0.000 0.266 91 M C 1.566 177.848 176.300 -0.030 0.000 1.072 91 M CA 1.104 56.444 55.300 0.067 0.000 1.132 91 M CB -1.227 31.384 32.600 0.018 0.000 1.386 91 M HN 0.715 nan 8.290 nan 0.000 0.432 92 G N 1.171 109.973 108.800 0.003 0.000 2.539 92 G HA2 -0.271 3.679 3.960 -0.017 0.000 0.256 92 G HA3 -0.271 3.679 3.960 -0.017 0.000 0.256 92 G C -0.277 174.580 174.900 -0.071 0.000 1.233 92 G CA -0.304 44.752 45.100 -0.072 0.000 0.936 92 G HN 0.443 nan 8.290 nan 0.000 0.571 93 R N -0.650 119.784 120.500 -0.109 0.000 2.531 93 R HA 0.597 4.927 4.340 -0.017 0.000 0.273 93 R C 0.965 177.142 176.300 -0.206 0.000 1.070 93 R CA 0.235 56.276 56.100 -0.098 0.000 1.112 93 R CB 0.831 31.082 30.300 -0.082 0.000 1.049 93 R HN 0.505 nan 8.270 nan 0.000 0.508 94 T N 1.094 115.468 114.554 -0.300 0.000 2.969 94 T HA -0.001 4.339 4.350 -0.017 0.000 0.250 94 T C 1.399 175.707 174.700 -0.652 0.000 1.021 94 T CA -0.137 61.572 62.100 -0.651 0.000 1.003 94 T CB 0.156 68.249 68.868 -1.293 0.000 1.040 94 T HN 0.305 nan 8.240 nan 0.000 0.492 95 L N 1.890 122.966 121.223 -0.246 0.000 1.976 95 L HA -0.003 4.327 4.340 -0.017 0.000 0.209 95 L C 2.468 179.305 176.870 -0.054 0.000 1.071 95 L CA 1.987 56.842 54.840 0.025 0.000 0.746 95 L CB -0.625 41.648 42.059 0.355 0.000 0.890 95 L HN 0.169 nan 8.230 nan 0.000 0.432 96 Q N -0.775 118.988 119.800 -0.062 0.000 2.079 96 Q HA -0.245 4.085 4.340 -0.017 0.000 0.200 96 Q C 2.215 178.145 176.000 -0.118 0.000 0.974 96 Q CA 1.766 57.527 55.803 -0.069 0.000 0.840 96 Q CB -0.286 28.409 28.738 -0.072 0.000 0.898 96 Q HN 0.695 nan 8.270 nan 0.000 0.430 97 N N -0.959 117.630 118.700 -0.185 0.000 2.104 97 N HA -0.154 4.576 4.740 -0.017 0.000 0.190 97 N C 1.351 176.755 175.510 -0.177 0.000 1.024 97 N CA 1.824 54.755 53.050 -0.199 0.000 0.853 97 N CB 0.073 38.406 38.487 -0.256 0.000 1.008 97 N HN 0.218 nan 8.380 nan 0.000 0.424 98 T N 1.199 115.616 114.554 -0.228 0.000 2.777 98 T HA -0.053 4.287 4.350 -0.017 0.000 0.266 98 T C 2.072 176.716 174.700 -0.094 0.000 1.040 98 T CA 1.030 63.017 62.100 -0.188 0.000 1.141 98 T CB -0.076 68.641 68.868 -0.251 0.000 0.868 98 T HN 0.254 nan 8.240 nan 0.000 0.444 99 M N 0.615 120.177 119.600 -0.063 0.000 2.086 99 M HA -0.100 4.370 4.480 -0.017 0.000 0.261 99 M C 2.494 178.764 176.300 -0.049 0.000 1.067 99 M CA 1.315 56.591 55.300 -0.041 0.000 1.116 99 M CB -0.668 31.924 32.600 -0.013 0.000 1.348 99 M HN 0.088 nan 8.290 nan 0.000 0.407 100 V N 0.913 120.802 119.914 -0.041 0.000 2.287 100 V HA -0.290 3.820 4.120 -0.017 0.000 0.248 100 V C 1.796 177.905 176.094 0.024 0.000 1.053 100 V CA 2.031 64.331 62.300 -0.001 0.000 1.027 100 V CB -0.884 30.938 31.823 -0.002 0.000 0.646 100 V HN 0.477 nan 8.190 nan 0.000 0.447 101 N N -0.519 118.181 118.700 -0.000 0.000 2.459 101 N HA -0.040 4.690 4.740 -0.017 0.000 0.181 101 N C 1.096 176.524 175.510 -0.136 0.000 1.046 101 N CA 0.708 53.748 53.050 -0.016 0.000 0.904 101 N CB -0.068 38.408 38.487 -0.018 0.000 0.964 101 N HN 0.284 nan 8.380 nan 0.000 0.444 102 L N -0.504 120.650 121.223 -0.115 0.000 2.640 102 L HA 0.409 4.739 4.340 -0.017 0.000 0.230 102 L C 0.605 177.392 176.870 -0.139 0.000 1.123 102 L CA -0.119 54.646 54.840 -0.125 0.000 0.900 102 L CB -0.584 41.420 42.059 -0.092 0.000 1.146 102 L HN 0.105 nan 8.230 nan 0.000 0.484 103 A N -0.702 122.039 122.820 -0.131 0.000 3.009 103 A HA -0.190 4.120 4.320 -0.017 0.000 0.264 103 A C 0.941 178.468 177.584 -0.095 0.000 1.408 103 A CA 0.839 52.807 52.037 -0.114 0.000 0.789 103 A CB -1.988 16.930 19.000 -0.136 0.000 1.040 103 A HN 0.177 nan 8.150 nan 0.000 0.576 104 L N -0.655 120.514 121.223 -0.091 0.000 2.766 104 L HA 0.276 4.606 4.340 -0.017 0.000 0.242 104 L C 1.802 178.639 176.870 -0.055 0.000 1.136 104 L CA 1.519 56.301 54.840 -0.097 0.000 0.933 104 L CB -0.295 41.680 42.059 -0.140 0.000 1.241 104 L HN 0.621 nan 8.230 nan 0.000 0.522 105 E N -0.096 120.081 120.200 -0.039 0.000 2.058 105 E HA -0.232 4.108 4.350 -0.017 0.000 0.194 105 E C 1.535 178.124 176.600 -0.018 0.000 0.997 105 E CA 1.416 57.804 56.400 -0.021 0.000 0.801 105 E CB 0.307 29.996 29.700 -0.017 0.000 0.746 105 E HN 0.400 nan 8.360 nan 0.000 0.450 106 N N 0.082 118.767 118.700 -0.024 0.000 2.142 106 N HA -0.108 4.622 4.740 -0.017 0.000 0.186 106 N C 1.586 177.083 175.510 -0.022 0.000 1.023 106 N CA 1.179 54.214 53.050 -0.025 0.000 0.852 106 N CB -0.399 38.071 38.487 -0.028 0.000 0.998 106 N HN 0.214 nan 8.380 nan 0.000 0.424 107 A N 0.660 123.465 122.820 -0.025 0.000 1.865 107 A HA -0.178 4.132 4.320 -0.017 0.000 0.217 107 A C 2.670 180.251 177.584 -0.005 0.000 1.191 107 A CA 1.577 53.603 52.037 -0.018 0.000 0.623 107 A CB -1.097 17.884 19.000 -0.033 0.000 0.826 107 A HN 0.453 nan 8.150 nan 0.000 0.444 108 C N -0.867 118.433 119.300 -0.001 0.000 2.425 108 C HA -0.074 4.376 4.460 -0.017 0.000 0.277 108 C C 2.481 177.480 174.990 0.016 0.000 1.280 108 C CA 1.011 60.041 59.018 0.021 0.000 1.744 108 C CB -1.208 26.559 27.740 0.044 0.000 1.989 108 C HN 0.690 nan 8.230 nan 0.000 0.491 109 D N 0.753 121.160 120.400 0.011 0.000 2.104 109 D HA -0.155 4.475 4.640 -0.017 0.000 0.194 109 D C 2.108 178.424 176.300 0.027 0.000 0.994 109 D CA 1.646 55.653 54.000 0.011 0.000 0.830 109 D CB -0.288 40.504 40.800 -0.012 0.000 0.959 109 D HN 0.463 nan 8.370 nan 0.000 0.452 110 E N 0.336 120.544 120.200 0.013 0.000 2.031 110 E HA -0.095 4.245 4.350 -0.017 0.000 0.193 110 E C 1.925 178.564 176.600 0.064 0.000 0.994 110 E CA 1.786 58.213 56.400 0.045 0.000 0.800 110 E CB -0.696 29.014 29.700 0.016 0.000 0.752 110 E HN 0.218 nan 8.360 nan 0.000 0.447 111 A N -0.181 122.647 122.820 0.012 0.000 1.917 111 A HA -0.246 4.064 4.320 -0.017 0.000 0.219 111 A C 2.499 180.015 177.584 -0.112 0.000 1.182 111 A CA 3.100 55.117 52.037 -0.033 0.000 0.633 111 A CB -1.499 17.486 19.000 -0.024 0.000 0.819 111 A HN 0.541 nan 8.150 nan 0.000 0.448 112 T N -3.980 110.507 114.554 -0.112 0.000 2.857 112 T HA -0.190 4.150 4.350 -0.017 0.000 0.266 112 T C 1.845 176.475 174.700 -0.117 0.000 1.048 112 T CA 1.448 63.426 62.100 -0.203 0.000 1.139 112 T CB -0.602 68.187 68.868 -0.130 0.000 0.874 112 T HN 0.431 nan 8.240 nan 0.000 0.455 113 Y N 2.370 122.596 120.300 -0.123 0.000 2.081 113 Y HA -0.186 4.354 4.550 -0.016 0.000 0.280 113 Y C 2.674 178.515 175.900 -0.098 0.000 1.163 113 Y CA 1.863 59.909 58.100 -0.091 0.000 1.135 113 Y CB -0.601 37.823 38.460 -0.059 0.000 0.970 113 Y HN 0.271 nan 8.280 nan 0.000 0.498 114 Q N -1.072 118.667 119.800 -0.102 0.000 2.291 114 Q HA -0.133 4.197 4.340 -0.017 0.000 0.205 114 Q C 1.699 177.577 176.000 -0.203 0.000 0.970 114 Q CA 0.887 56.590 55.803 -0.166 0.000 0.876 114 Q CB -0.107 28.602 28.738 -0.048 0.000 0.935 114 Q HN 0.350 nan 8.270 nan 0.000 0.455 115 L N -0.853 120.230 121.223 -0.234 0.000 2.554 115 L HA 0.100 4.430 4.340 -0.017 0.000 0.226 115 L C 1.152 177.857 176.870 -0.276 0.000 1.137 115 L CA 1.414 56.090 54.840 -0.274 0.000 0.863 115 L CB -0.517 41.277 42.059 -0.442 0.000 0.985 115 L HN 0.348 nan 8.230 nan 0.000 0.451 116 G N -0.308 108.319 108.800 -0.287 0.000 2.149 116 G HA2 -0.235 3.715 3.960 -0.017 0.000 0.235 116 G HA3 -0.235 3.715 3.960 -0.017 0.000 0.235 116 G C 0.017 174.789 174.900 -0.212 0.000 1.018 116 G CA 0.244 45.188 45.100 -0.260 0.000 0.728 116 G HN 0.279 nan 8.290 nan 0.000 0.508 117 L N -0.297 120.803 121.223 -0.205 0.000 2.354 117 L HA 0.617 4.947 4.340 -0.017 0.000 0.269 117 L C -0.546 176.307 176.870 -0.028 0.000 1.005 117 L CA -1.215 53.542 54.840 -0.139 0.000 0.819 117 L CB 1.895 43.820 42.059 -0.223 0.000 1.311 117 L HN 0.073 nan 8.230 nan 0.000 0.423 118 D N 1.910 122.322 120.400 0.020 0.000 2.347 118 D HA 0.175 4.805 4.640 -0.017 0.000 0.235 118 D C 0.654 176.992 176.300 0.064 0.000 1.149 118 D CA -0.162 53.874 54.000 0.060 0.000 0.850 118 D CB 1.476 42.315 40.800 0.065 0.000 1.061 118 D HN 0.505 nan 8.370 nan 0.000 0.487 119 M N 3.139 122.777 119.600 0.064 0.000 2.159 119 M HA -0.149 4.321 4.480 -0.017 0.000 0.263 119 M C 1.332 177.679 176.300 0.078 0.000 1.063 119 M CA 1.528 56.874 55.300 0.076 0.000 1.110 119 M CB 0.191 32.828 32.600 0.063 0.000 1.374 119 M HN 0.430 nan 8.290 nan 0.000 0.411 120 E N -0.218 120.018 120.200 0.060 0.000 2.153 120 E HA -0.256 4.084 4.350 -0.017 0.000 0.194 120 E C 1.846 178.479 176.600 0.055 0.000 0.988 120 E CA 1.399 57.830 56.400 0.051 0.000 0.811 120 E CB -0.158 29.568 29.700 0.044 0.000 0.746 120 E HN 0.644 nan 8.360 nan 0.000 0.466 121 E N 0.488 120.727 120.200 0.065 0.000 2.107 121 E HA -0.180 4.160 4.350 -0.017 0.000 0.191 121 E C 1.937 178.579 176.600 0.070 0.000 0.982 121 E CA 0.491 56.931 56.400 0.066 0.000 0.809 121 E CB 0.186 29.929 29.700 0.072 0.000 0.756 121 E HN 0.085 nan 8.360 nan 0.000 0.459 122 L N 1.576 122.863 121.223 0.107 0.000 2.083 122 L HA -0.134 4.196 4.340 -0.017 0.000 0.209 122 L C 2.094 179.016 176.870 0.087 0.000 1.083 122 L CA 1.640 56.574 54.840 0.156 0.000 0.752 122 L CB -0.704 41.503 42.059 0.247 0.000 0.899 122 L HN 0.148 nan 8.230 nan 0.000 0.433 123 E N -0.740 119.503 120.200 0.072 0.000 2.153 123 E HA -0.188 4.152 4.350 -0.017 0.000 0.194 123 E C 1.806 178.361 176.600 -0.076 0.000 0.988 123 E CA 0.701 57.111 56.400 0.017 0.000 0.811 123 E CB 0.041 29.761 29.700 0.034 0.000 0.746 123 E HN 0.399 nan 8.360 nan 0.000 0.466 124 E N 0.240 120.413 120.200 -0.046 0.000 2.409 124 E HA -0.106 4.234 4.350 -0.017 0.000 0.198 124 E C 1.823 178.358 176.600 -0.109 0.000 1.024 124 E CA 0.534 56.907 56.400 -0.045 0.000 0.861 124 E CB 0.060 29.770 29.700 0.016 0.000 0.788 124 E HN 0.414 nan 8.360 nan 0.000 0.521 125 I N 0.762 121.203 120.570 -0.215 0.000 2.617 125 I HA -0.102 4.058 4.170 -0.017 0.000 0.256 125 I C 1.371 177.186 176.117 -0.503 0.000 1.167 125 I CA 0.203 61.311 61.300 -0.320 0.000 1.469 125 I CB 0.094 37.908 38.000 -0.309 0.000 1.098 125 I HN -0.025 nan 8.210 nan 0.000 0.436 126 E N 2.884 122.659 120.200 -0.708 0.000 2.415 126 E HA -0.048 4.292 4.350 -0.017 0.000 0.263 126 E C -0.258 176.255 176.600 -0.146 0.000 0.995 126 E CA -0.228 55.834 56.400 -0.562 0.000 0.915 126 E CB 0.603 30.079 29.700 -0.373 0.000 0.951 126 E HN 0.110 nan 8.360 nan 0.000 0.449 127 E N 3.590 123.800 120.200 0.017 0.000 2.383 127 E HA 0.051 4.391 4.350 -0.017 0.000 0.264 127 E C -0.708 175.988 176.600 0.160 0.000 1.050 127 E CA -0.195 56.293 56.400 0.146 0.000 0.896 127 E CB 0.523 30.404 29.700 0.302 0.000 0.982 127 E HN 0.471 nan 8.360 nan 0.000 0.424 128 D N 0.818 121.289 120.400 0.118 0.000 2.458 128 D HA 0.157 4.787 4.640 -0.017 0.000 0.243 128 D C -0.297 176.032 176.300 0.048 0.000 1.146 128 D CA 0.184 54.231 54.000 0.079 0.000 0.877 128 D CB 0.536 41.379 40.800 0.072 0.000 1.176 128 D HN 0.398 nan 8.370 nan 0.000 0.461 129 A N 2.635 125.435 122.820 -0.033 0.000 2.544 129 A HA 0.458 4.768 4.320 -0.017 0.000 0.301 129 A C 1.082 178.492 177.584 -0.290 0.000 1.368 129 A CA -0.314 51.480 52.037 -0.404 0.000 1.045 129 A CB -0.202 18.631 19.000 -0.278 0.000 1.129 129 A HN 0.557 nan 8.150 nan 0.000 0.540 130 G N 2.365 110.907 108.800 -0.429 0.000 3.943 130 G HA2 0.425 4.375 3.960 -0.017 0.000 0.275 130 G HA3 0.425 4.375 3.960 -0.017 0.000 0.275 130 G C 0.263 174.844 174.900 -0.532 0.000 1.234 130 G CA -0.323 44.559 45.100 -0.364 0.000 1.522 130 G HN 0.693 nan 8.290 nan 0.000 0.636 131 L N 1.441 122.437 121.223 -0.378 0.000 2.939 131 L HA 0.398 4.728 4.340 -0.017 0.000 0.239 131 L C 0.984 177.778 176.870 -0.126 0.000 1.325 131 L CA -0.188 54.562 54.840 -0.149 0.000 1.170 131 L CB -0.355 41.749 42.059 0.075 0.000 1.538 131 L HN 0.326 nan 8.230 nan 0.000 0.452 132 G N -1.253 107.265 108.800 -0.471 0.000 2.623 132 G HA2 0.163 4.113 3.960 -0.017 0.000 0.290 132 G HA3 0.163 4.113 3.960 -0.017 0.000 0.290 132 G C -0.156 174.435 174.900 -0.516 0.000 1.437 132 G CA -0.484 44.399 45.100 -0.362 0.000 0.798 132 G HN -0.076 nan 8.290 nan 0.000 0.488 133 N N -0.744 117.846 118.700 -0.183 0.000 2.305 133 N HA 0.195 4.925 4.740 -0.017 0.000 0.179 133 N C 1.177 176.742 175.510 0.090 0.000 1.019 133 N CA 1.423 54.426 53.050 -0.078 0.000 0.869 133 N CB 0.977 39.483 38.487 0.031 0.000 1.000 133 N HN 0.845 nan 8.380 nan 0.000 0.431 134 G N -0.846 108.065 108.800 0.185 0.000 2.818 134 G HA2 0.236 4.186 3.960 -0.017 0.000 0.109 134 G HA3 0.236 4.186 3.960 -0.017 0.000 0.109 134 G C 0.679 175.676 174.900 0.163 0.000 1.206 134 G CA 0.223 45.459 45.100 0.228 0.000 1.243 134 G HN 0.160 nan 8.290 nan 0.000 0.609 135 G N 0.330 109.183 108.800 0.089 0.000 2.446 135 G HA2 -0.057 3.893 3.960 -0.017 0.000 0.217 135 G HA3 -0.057 3.893 3.960 -0.017 0.000 0.217 135 G C 1.894 176.778 174.900 -0.027 0.000 1.168 135 G CA 1.483 46.597 45.100 0.025 0.000 0.771 135 G HN 0.822 nan 8.290 nan 0.000 0.551 136 L N 0.673 121.857 121.223 -0.065 0.000 2.012 136 L HA 0.045 4.375 4.340 -0.017 0.000 0.210 136 L C 2.806 179.592 176.870 -0.139 0.000 1.073 136 L CA 2.127 56.834 54.840 -0.221 0.000 0.748 136 L CB -0.612 41.261 42.059 -0.309 0.000 0.891 136 L HN 0.231 nan 8.230 nan 0.000 0.431 137 G N -0.675 108.113 108.800 -0.021 0.000 2.408 137 G HA2 -0.269 3.681 3.960 -0.017 0.000 0.217 137 G HA3 -0.269 3.681 3.960 -0.017 0.000 0.217 137 G C 1.704 176.664 174.900 0.100 0.000 1.150 137 G CA 0.461 45.582 45.100 0.035 0.000 0.776 137 G HN 0.222 nan 8.290 nan 0.000 0.542 138 R N 0.144 120.712 120.500 0.113 0.000 2.090 138 R HA 0.126 4.456 4.340 -0.017 0.000 0.228 138 R C 2.442 178.738 176.300 -0.007 0.000 1.110 138 R CA 0.664 56.808 56.100 0.073 0.000 0.973 138 R CB -1.083 29.225 30.300 0.013 0.000 0.869 138 R HN 0.373 nan 8.270 nan 0.000 0.440 139 L N 0.778 121.932 121.223 -0.115 0.000 2.012 139 L HA -0.117 4.213 4.340 -0.017 0.000 0.210 139 L C 2.194 178.794 176.870 -0.450 0.000 1.073 139 L CA 2.323 56.961 54.840 -0.337 0.000 0.748 139 L CB -0.856 40.965 42.059 -0.398 0.000 0.891 139 L HN 0.211 nan 8.230 nan 0.000 0.431 140 A N -0.660 122.024 122.820 -0.226 0.000 1.908 140 A HA -0.189 4.121 4.320 -0.017 0.000 0.218 140 A C 2.445 180.090 177.584 0.101 0.000 1.181 140 A CA 2.062 54.048 52.037 -0.086 0.000 0.627 140 A CB -1.214 17.703 19.000 -0.139 0.000 0.818 140 A HN 0.593 nan 8.150 nan 0.000 0.445 141 A N -1.126 121.783 122.820 0.149 0.000 1.902 141 A HA -0.160 4.150 4.320 -0.017 0.000 0.217 141 A C 2.323 179.976 177.584 0.116 0.000 1.181 141 A CA 1.667 53.808 52.037 0.174 0.000 0.623 141 A CB -1.268 17.819 19.000 0.146 0.000 0.818 141 A HN 0.606 nan 8.150 nan 0.000 0.443 142 C N -1.552 117.816 119.300 0.112 0.000 2.429 142 C HA -0.057 4.393 4.460 -0.017 0.000 0.277 142 C C 2.425 177.574 174.990 0.266 0.000 1.262 142 C CA 0.627 59.750 59.018 0.176 0.000 1.733 142 C CB -1.601 26.262 27.740 0.206 0.000 2.010 142 C HN 0.608 nan 8.230 nan 0.000 0.483 143 F N 1.242 121.175 119.950 -0.029 0.000 2.134 143 F HA -0.069 4.448 4.527 -0.017 0.000 0.299 143 F C 2.225 177.957 175.800 -0.115 0.000 1.097 143 F CA 1.039 58.970 58.000 -0.116 0.000 1.264 143 F CB -1.345 37.457 39.000 -0.331 0.000 1.001 143 F HN 0.200 nan 8.300 nan 0.000 0.479 144 L N -0.478 120.809 121.223 0.106 0.000 2.046 144 L HA -0.239 4.091 4.340 -0.017 0.000 0.208 144 L C 2.421 179.297 176.870 0.010 0.000 1.077 144 L CA 1.857 56.715 54.840 0.030 0.000 0.747 144 L CB -0.763 41.318 42.059 0.036 0.000 0.896 144 L HN 0.167 nan 8.230 nan 0.000 0.432 145 D N -0.136 120.281 120.400 0.028 0.000 2.097 145 D HA -0.175 4.455 4.640 -0.017 0.000 0.195 145 D C 2.068 178.381 176.300 0.022 0.000 0.989 145 D CA 1.715 55.719 54.000 0.006 0.000 0.827 145 D CB 0.305 41.106 40.800 0.002 0.000 0.966 145 D HN 0.225 nan 8.370 nan 0.000 0.456 146 S N -0.051 115.678 115.700 0.049 0.000 2.383 146 S HA -0.088 4.372 4.470 -0.017 0.000 0.227 146 S C 2.131 176.741 174.600 0.017 0.000 1.026 146 S CA 0.810 59.032 58.200 0.036 0.000 0.981 146 S CB -0.131 63.096 63.200 0.045 0.000 0.818 146 S HN 0.350 nan 8.310 nan 0.000 0.472 147 M N 0.902 120.504 119.600 0.004 0.000 2.159 147 M HA -0.093 4.377 4.480 -0.017 0.000 0.263 147 M C 2.425 178.724 176.300 -0.002 0.000 1.063 147 M CA 1.383 56.681 55.300 -0.002 0.000 1.110 147 M CB -0.480 32.098 32.600 -0.036 0.000 1.374 147 M HN 0.400 nan 8.290 nan 0.000 0.411 148 A N -0.351 122.465 122.820 -0.007 0.000 1.897 148 A HA -0.104 4.206 4.320 -0.017 0.000 0.215 148 A C 2.156 179.754 177.584 0.024 0.000 1.181 148 A CA 1.886 53.923 52.037 0.001 0.000 0.620 148 A CB -1.025 17.959 19.000 -0.026 0.000 0.821 148 A HN 0.393 nan 8.150 nan 0.000 0.443 149 T N 0.333 114.906 114.554 0.032 0.000 2.833 149 T HA -0.024 4.316 4.350 -0.017 0.000 0.269 149 T C 1.310 176.041 174.700 0.051 0.000 1.054 149 T CA 1.197 63.330 62.100 0.055 0.000 1.135 149 T CB -0.277 68.630 68.868 0.065 0.000 0.869 149 T HN 0.342 nan 8.240 nan 0.000 0.466 150 L N 0.215 121.464 121.223 0.043 0.000 2.653 150 L HA 0.314 4.644 4.340 -0.017 0.000 0.231 150 L C 1.618 178.521 176.870 0.054 0.000 1.153 150 L CA -0.035 54.832 54.840 0.046 0.000 0.933 150 L CB -0.262 41.823 42.059 0.043 0.000 1.175 150 L HN 0.390 nan 8.230 nan 0.000 0.473 151 G N 1.169 110.006 108.800 0.060 0.000 2.221 151 G HA2 -0.281 3.669 3.960 -0.017 0.000 0.265 151 G HA3 -0.281 3.669 3.960 -0.017 0.000 0.265 151 G C 0.105 175.061 174.900 0.093 0.000 1.041 151 G CA 0.045 45.200 45.100 0.092 0.000 0.807 151 G HN 0.276 nan 8.290 nan 0.000 0.502 152 L N -0.172 121.073 121.223 0.037 0.000 2.375 152 L HA 0.622 4.952 4.340 -0.017 0.000 0.271 152 L C 1.215 177.975 176.870 -0.183 0.000 1.107 152 L CA -0.366 54.450 54.840 -0.041 0.000 0.806 152 L CB 1.552 43.596 42.059 -0.024 0.000 1.146 152 L HN 0.255 nan 8.230 nan 0.000 0.447 153 A N 2.829 125.401 122.820 -0.413 0.000 2.990 153 A HA 0.571 4.881 4.320 -0.017 0.000 0.282 153 A C 0.233 177.447 177.584 -0.617 0.000 1.688 153 A CA -0.158 51.336 52.037 -0.906 0.000 1.391 153 A CB -0.666 17.659 19.000 -1.126 0.000 1.112 153 A HN 0.691 nan 8.150 nan 0.000 0.588 154 A N 1.565 124.062 122.820 -0.539 0.000 2.355 154 A HA 0.801 5.111 4.320 -0.017 0.000 0.324 154 A C -1.064 176.226 177.584 -0.491 0.000 1.117 154 A CA -0.476 51.320 52.037 -0.402 0.000 0.785 154 A CB 0.836 19.682 19.000 -0.256 0.000 1.254 154 A HN 0.623 nan 8.150 nan 0.000 0.453 155 Y N 0.350 120.569 120.300 -0.135 0.000 2.373 155 Y HA 0.536 5.077 4.550 -0.016 0.000 0.336 155 Y C 0.850 176.821 175.900 0.119 0.000 0.979 155 Y CA -0.582 57.512 58.100 -0.011 0.000 1.080 155 Y CB 2.398 40.927 38.460 0.114 0.000 1.190 155 Y HN 0.833 nan 8.280 nan 0.000 0.446 156 G N 2.299 111.171 108.800 0.120 0.000 2.325 156 G HA2 0.425 4.375 3.960 -0.017 0.000 0.298 156 G HA3 0.425 4.375 3.960 -0.017 0.000 0.298 156 G C -1.697 173.210 174.900 0.011 0.000 1.134 156 G CA -0.195 45.008 45.100 0.173 0.000 0.876 156 G HN 0.521 nan 8.290 nan 0.000 0.452 157 Y N 1.084 121.612 120.300 0.379 0.000 2.376 157 Y HA 0.637 5.177 4.550 -0.017 0.000 0.340 157 Y C 0.759 176.959 175.900 0.500 0.000 0.965 157 Y CA 0.252 58.543 58.100 0.319 0.000 1.078 157 Y CB 2.673 41.348 38.460 0.357 0.000 1.193 157 Y HN 0.874 nan 8.280 nan 0.000 0.452 158 G N 2.341 111.467 108.800 0.543 0.000 2.664 158 G HA2 0.565 4.515 3.960 -0.017 0.000 0.303 158 G HA3 0.565 4.515 3.960 -0.017 0.000 0.303 158 G C -1.814 173.334 174.900 0.412 0.000 1.243 158 G CA -0.834 44.617 45.100 0.585 0.000 0.826 158 G HN 0.432 nan 8.290 nan 0.000 0.498 159 I N 0.640 121.347 120.570 0.229 0.000 2.441 159 I HA 0.426 4.586 4.170 -0.017 0.000 0.295 159 I C 0.318 176.337 176.117 -0.163 0.000 0.994 159 I CA -0.733 60.588 61.300 0.035 0.000 1.144 159 I CB 2.158 39.995 38.000 -0.272 0.000 1.314 159 I HN 0.356 nan 8.210 nan 0.000 0.445 160 R N 6.175 126.677 120.500 0.003 0.000 2.429 160 R HA 0.212 4.542 4.340 -0.017 0.000 0.302 160 R C -1.298 175.033 176.300 0.052 0.000 1.268 160 R CA -0.402 55.722 56.100 0.041 0.000 1.090 160 R CB -0.025 30.282 30.300 0.012 0.000 1.102 160 R HN 0.393 nan 8.270 nan 0.000 0.522 161 Y N 1.772 122.227 120.300 0.258 0.000 2.442 161 Y HA -0.059 4.481 4.550 -0.017 0.000 0.330 161 Y C 1.559 177.633 175.900 0.289 0.000 1.129 161 Y CA -0.024 58.220 58.100 0.239 0.000 1.365 161 Y CB 0.887 39.468 38.460 0.201 0.000 1.233 161 Y HN 0.601 nan 8.280 nan 0.000 0.529 162 E N 2.271 122.648 120.200 0.294 0.000 2.106 162 E HA -0.092 4.248 4.350 -0.017 0.000 0.192 162 E C -0.720 175.755 176.600 -0.208 0.000 0.984 162 E CA 0.814 57.193 56.400 -0.035 0.000 0.806 162 E CB 0.161 29.751 29.700 -0.184 0.000 0.750 162 E HN 0.499 nan 8.360 nan 0.000 0.458 163 F N -0.355 119.805 119.950 0.351 0.000 2.477 163 F HA 0.446 4.963 4.527 -0.017 0.000 0.335 163 F C 0.764 176.656 175.800 0.154 0.000 1.130 163 F CA -0.836 57.330 58.000 0.278 0.000 0.948 163 F CB 1.870 40.964 39.000 0.156 0.000 1.154 163 F HN -0.112 nan 8.300 nan 0.000 0.439 164 G N 1.792 110.708 108.800 0.193 0.000 2.509 164 G HA2 0.367 4.317 3.960 -0.017 0.000 0.269 164 G HA3 0.367 4.317 3.960 -0.017 0.000 0.269 164 G C -0.534 174.316 174.900 -0.084 0.000 1.416 164 G CA -0.740 44.308 45.100 -0.086 0.000 1.052 164 G HN 0.562 nan 8.290 nan 0.000 0.542 165 I N 0.882 121.311 120.570 -0.235 0.000 2.826 165 I HA 0.157 4.317 4.170 -0.017 0.000 0.295 165 I C 0.560 176.567 176.117 -0.183 0.000 1.213 165 I CA -1.012 60.122 61.300 -0.276 0.000 1.436 165 I CB -0.366 37.366 38.000 -0.447 0.000 1.348 165 I HN 0.325 nan 8.210 nan 0.000 0.570 166 F N 6.346 126.302 119.950 0.010 0.000 2.595 166 F HA 0.243 4.761 4.527 -0.016 0.000 0.359 166 F C 0.573 176.420 175.800 0.078 0.000 1.147 166 F CA -0.654 57.376 58.000 0.050 0.000 1.341 166 F CB -0.402 38.617 39.000 0.033 0.000 1.104 166 F HN 0.429 nan 8.300 nan 0.000 0.603 167 N N 2.433 121.303 118.700 0.284 0.000 2.497 167 N HA 0.025 4.755 4.740 -0.017 0.000 0.268 167 N C -0.707 175.047 175.510 0.406 0.000 1.171 167 N CA -0.206 52.994 53.050 0.250 0.000 0.948 167 N CB 1.033 39.650 38.487 0.217 0.000 1.069 167 N HN 0.775 nan 8.380 nan 0.000 0.460 168 Q N 2.451 122.461 119.800 0.350 0.000 2.303 168 Q HA 0.160 4.490 4.340 -0.017 0.000 0.257 168 Q C -0.965 175.198 176.000 0.270 0.000 0.941 168 Q CA -0.507 55.531 55.803 0.392 0.000 0.931 168 Q CB 0.672 29.650 28.738 0.401 0.000 1.215 168 Q HN 0.227 nan 8.270 nan 0.000 0.437 169 K N 4.282 124.813 120.400 0.219 0.000 2.164 169 K HA 0.446 4.756 4.320 -0.017 0.000 0.258 169 K C -0.516 176.173 176.600 0.148 0.000 0.951 169 K CA -0.857 55.534 56.287 0.174 0.000 0.844 169 K CB 1.474 34.057 32.500 0.138 0.000 1.099 169 K HN 0.626 nan 8.250 nan 0.000 0.435 170 I N 1.987 122.635 120.570 0.130 0.000 2.321 170 I HA 0.156 4.316 4.170 -0.017 0.000 0.291 170 I C -0.024 176.141 176.117 0.079 0.000 0.998 170 I CA -0.762 60.585 61.300 0.078 0.000 1.227 170 I CB 0.938 38.960 38.000 0.036 0.000 1.368 170 I HN 0.500 nan 8.210 nan 0.000 0.466 171 C N 5.320 124.680 119.300 0.100 0.000 2.344 171 C HA 0.635 5.085 4.460 -0.017 0.000 0.326 171 C C 1.113 176.205 174.990 0.171 0.000 1.201 171 C CA 0.250 59.336 59.018 0.113 0.000 1.410 171 C CB -0.201 27.601 27.740 0.103 0.000 2.070 171 C HN 1.114 nan 8.230 nan 0.000 0.445 172 G N 4.076 112.946 108.800 0.115 0.000 2.249 172 G HA2 0.114 4.064 3.960 -0.017 0.000 0.273 172 G HA3 0.114 4.064 3.960 -0.017 0.000 0.273 172 G C 1.236 176.149 174.900 0.021 0.000 1.036 172 G CA 1.225 46.401 45.100 0.127 0.000 0.824 172 G HN 2.617 nan 8.290 nan 0.000 0.504 173 G N -2.821 105.920 108.800 -0.098 0.000 2.217 173 G HA2 -0.278 3.672 3.960 -0.017 0.000 0.246 173 G HA3 -0.278 3.672 3.960 -0.017 0.000 0.246 173 G C 0.356 174.983 174.900 -0.455 0.000 0.990 173 G CA 0.518 45.416 45.100 -0.336 0.000 0.627 173 G HN 1.190 nan 8.290 nan 0.000 0.522 174 W N 1.341 122.580 121.300 -0.101 0.000 2.496 174 W HA 0.671 5.321 4.660 -0.016 0.000 0.327 174 W C 0.650 177.111 176.519 -0.096 0.000 1.086 174 W CA -0.874 56.408 57.345 -0.106 0.000 1.222 174 W CB 0.856 30.271 29.460 -0.075 0.000 1.304 174 W HN 0.267 nan 8.180 nan 0.000 0.547 175 Q N 3.349 123.235 119.800 0.144 0.000 2.311 175 Q HA 0.162 4.492 4.340 -0.017 0.000 0.272 175 Q C -0.501 175.549 176.000 0.084 0.000 1.012 175 Q CA 0.280 56.140 55.803 0.095 0.000 0.891 175 Q CB 0.501 29.286 28.738 0.079 0.000 1.201 175 Q HN 0.316 nan 8.270 nan 0.000 0.391 176 M N 3.088 122.729 119.600 0.069 0.000 2.528 176 M HA 0.398 4.868 4.480 -0.017 0.000 0.321 176 M C -1.048 175.246 176.300 -0.011 0.000 1.153 176 M CA -0.711 54.596 55.300 0.013 0.000 0.951 176 M CB 1.770 34.392 32.600 0.038 0.000 1.705 176 M HN 0.583 nan 8.290 nan 0.000 0.451 177 E N 1.610 121.731 120.200 -0.132 0.000 2.179 177 E HA 0.476 4.816 4.350 -0.017 0.000 0.275 177 E C -0.730 175.854 176.600 -0.026 0.000 0.945 177 E CA -0.593 55.689 56.400 -0.196 0.000 0.792 177 E CB 1.699 30.994 29.700 -0.676 0.000 1.125 177 E HN 0.525 nan 8.360 nan 0.000 0.397 178 E N 0.955 121.226 120.200 0.118 0.000 2.317 178 E HA 0.718 5.058 4.350 -0.017 0.000 0.270 178 E C -1.040 175.657 176.600 0.162 0.000 0.885 178 E CA -1.527 54.935 56.400 0.104 0.000 0.760 178 E CB 1.466 31.229 29.700 0.105 0.000 1.227 178 E HN 0.452 nan 8.360 nan 0.000 0.434 179 A N 2.067 124.945 122.820 0.096 0.000 2.546 179 A HA 0.034 4.344 4.320 -0.017 0.000 0.243 179 A C -0.052 177.710 177.584 0.296 0.000 1.063 179 A CA 0.297 52.410 52.037 0.127 0.000 0.757 179 A CB -0.101 18.859 19.000 -0.067 0.000 0.991 179 A HN 0.694 nan 8.150 nan 0.000 0.503 180 D N 1.871 122.505 120.400 0.391 0.000 2.522 180 D HA 0.165 4.795 4.640 -0.017 0.000 0.218 180 D C -0.318 176.286 176.300 0.507 0.000 1.149 180 D CA -0.190 54.037 54.000 0.378 0.000 0.981 180 D CB 0.295 41.251 40.800 0.259 0.000 1.041 180 D HN 0.380 nan 8.370 nan 0.000 0.518 181 D N 3.653 124.315 120.400 0.438 0.000 2.801 181 D HA -0.040 4.590 4.640 -0.017 0.000 0.232 181 D C 1.157 177.570 176.300 0.188 0.000 1.128 181 D CA -0.495 53.668 54.000 0.272 0.000 1.003 181 D CB -0.232 40.729 40.800 0.268 0.000 1.110 181 D HN 0.577 nan 8.370 nan 0.000 0.477 182 W N 1.262 122.584 121.300 0.036 0.000 2.525 182 W HA -0.066 4.584 4.660 -0.017 0.000 0.259 182 W C 0.244 176.812 176.519 0.082 0.000 1.253 182 W CA 0.131 57.525 57.345 0.081 0.000 1.262 182 W CB -0.782 28.728 29.460 0.084 0.000 1.122 182 W HN 0.158 nan 8.180 nan 0.000 0.607 183 L N 1.000 121.822 121.223 -0.668 0.000 2.592 183 L HA 0.157 4.487 4.340 -0.017 0.000 0.227 183 L C 2.791 179.482 176.870 -0.298 0.000 1.127 183 L CA 0.058 54.485 54.840 -0.690 0.000 0.884 183 L CB -0.668 40.870 42.059 -0.870 0.000 1.065 183 L HN -0.100 nan 8.230 nan 0.000 0.457 184 R N 0.601 120.987 120.500 -0.189 0.000 2.134 184 R HA -0.246 4.084 4.340 -0.017 0.000 0.248 184 R C 1.412 177.538 176.300 -0.290 0.000 1.143 184 R CA 2.169 58.128 56.100 -0.234 0.000 0.957 184 R CB -0.226 29.924 30.300 -0.250 0.000 0.867 184 R HN 0.318 nan 8.270 nan 0.000 0.441 185 Y N -0.588 119.721 120.300 0.014 0.000 2.457 185 Y HA 0.325 4.865 4.550 -0.016 0.000 0.263 185 Y C 0.786 176.660 175.900 -0.043 0.000 1.164 185 Y CA 0.470 58.588 58.100 0.030 0.000 1.274 185 Y CB 0.981 39.575 38.460 0.224 0.000 1.097 185 Y HN 0.432 nan 8.280 nan 0.000 0.523 186 G N 1.343 110.177 108.800 0.056 0.000 2.675 186 G HA2 -0.216 3.734 3.960 -0.017 0.000 0.686 186 G HA3 -0.216 3.734 3.960 -0.017 0.000 0.686 186 G C -1.299 173.667 174.900 0.109 0.000 1.215 186 G CA -0.898 44.200 45.100 -0.003 0.000 0.777 186 G HN 0.238 nan 8.290 nan 0.000 0.638 187 N N 1.646 120.353 118.700 0.012 0.000 2.518 187 N HA 0.606 5.336 4.740 -0.017 0.000 0.254 187 N C -0.575 174.932 175.510 -0.005 0.000 0.979 187 N CA -2.126 50.955 53.050 0.052 0.000 0.930 187 N CB 1.949 40.405 38.487 -0.053 0.000 1.152 187 N HN 0.226 nan 8.380 nan 0.000 0.505 188 P HA 0.018 nan 4.420 nan 0.000 0.229 188 P C 0.290 177.245 177.300 -0.575 0.000 1.160 188 P CA 0.792 63.577 63.100 -0.526 0.000 0.777 188 P CB 0.011 31.169 31.700 -0.903 0.000 0.814 189 W N 1.707 123.020 121.300 0.021 0.000 3.353 189 W HA 0.149 4.799 4.660 -0.016 0.000 0.304 189 W C 0.842 177.392 176.519 0.052 0.000 1.273 189 W CA -0.575 56.774 57.345 0.005 0.000 1.773 189 W CB 0.035 29.506 29.460 0.018 0.000 1.095 189 W HN 0.059 nan 8.180 nan 0.000 0.676 190 E N 0.862 121.203 120.200 0.236 0.000 2.244 190 E HA 0.527 4.867 4.350 -0.017 0.000 0.266 190 E C -0.950 175.805 176.600 0.258 0.000 0.914 190 E CA -1.206 55.359 56.400 0.276 0.000 0.794 190 E CB 1.872 31.751 29.700 0.297 0.000 1.210 190 E HN -0.308 nan 8.360 nan 0.000 0.414 191 K N 1.648 122.221 120.400 0.289 0.000 2.483 191 K HA 0.453 4.763 4.320 -0.017 0.000 0.256 191 K C -1.097 175.535 176.600 0.053 0.000 0.961 191 K CA -0.488 55.905 56.287 0.177 0.000 0.873 191 K CB 1.510 34.113 32.500 0.172 0.000 1.107 191 K HN 0.685 nan 8.250 nan 0.000 0.432 192 A N 4.352 127.122 122.820 -0.083 0.000 2.540 192 A HA 0.281 4.591 4.320 -0.017 0.000 0.239 192 A C -0.247 177.177 177.584 -0.266 0.000 1.061 192 A CA 0.028 51.767 52.037 -0.495 0.000 0.758 192 A CB 0.174 18.899 19.000 -0.458 0.000 0.991 192 A HN 0.668 nan 8.150 nan 0.000 0.502 193 R N 3.340 123.678 120.500 -0.271 0.000 2.748 193 R HA 0.203 4.533 4.340 -0.017 0.000 0.283 193 R C -2.366 173.902 176.300 -0.054 0.000 1.507 193 R CA -1.642 54.428 56.100 -0.051 0.000 1.666 193 R CB 0.707 31.114 30.300 0.178 0.000 1.237 193 R HN 0.558 nan 8.270 nan 0.000 0.633 194 P HA -0.180 nan 4.420 nan 0.000 0.221 194 P C 0.985 178.232 177.300 -0.089 0.000 1.145 194 P CA 1.086 64.140 63.100 -0.078 0.000 0.795 194 P CB 0.373 32.026 31.700 -0.079 0.000 0.775 195 E N -0.102 119.972 120.200 -0.209 0.000 2.268 195 E HA -0.150 4.190 4.350 -0.017 0.000 0.195 195 E C 0.768 177.125 176.600 -0.404 0.000 0.995 195 E CA 0.986 57.163 56.400 -0.371 0.000 0.836 195 E CB -1.000 28.350 29.700 -0.584 0.000 0.763 195 E HN 0.288 nan 8.360 nan 0.000 0.491 196 F N 2.057 122.015 119.950 0.012 0.000 2.668 196 F HA 0.241 4.758 4.527 -0.016 0.000 0.297 196 F C 0.471 176.354 175.800 0.139 0.000 1.124 196 F CA -0.292 57.745 58.000 0.062 0.000 1.353 196 F CB 0.086 39.116 39.000 0.050 0.000 0.992 196 F HN -0.297 nan 8.300 nan 0.000 0.524 197 T N 2.753 117.437 114.554 0.216 0.000 2.928 197 T HA 0.260 4.600 4.350 -0.017 0.000 0.305 197 T C -0.194 174.602 174.700 0.160 0.000 1.035 197 T CA 0.315 62.542 62.100 0.212 0.000 1.145 197 T CB 0.657 69.601 68.868 0.128 0.000 0.963 197 T HN -0.157 nan 8.240 nan 0.000 0.545 198 L N 5.586 126.879 121.223 0.117 0.000 2.370 198 L HA 0.575 4.905 4.340 -0.017 0.000 0.266 198 L C -2.245 174.580 176.870 -0.075 0.000 1.002 198 L CA -2.582 52.255 54.840 -0.006 0.000 0.818 198 L CB 1.913 43.900 42.059 -0.120 0.000 1.325 198 L HN 0.383 nan 8.230 nan 0.000 0.418 199 P HA 0.385 nan 4.420 nan 0.000 0.288 199 P C -1.190 175.963 177.300 -0.246 0.000 1.267 199 P CA -0.408 62.598 63.100 -0.157 0.000 0.815 199 P CB 1.672 33.274 31.700 -0.163 0.000 0.989 200 V N 3.978 123.729 119.914 -0.272 0.000 2.604 200 V HA 0.334 4.444 4.120 -0.017 0.000 0.305 200 V C 0.166 176.018 176.094 -0.404 0.000 1.043 200 V CA -0.604 61.516 62.300 -0.299 0.000 0.888 200 V CB 1.397 33.083 31.823 -0.227 0.000 0.995 200 V HN 0.600 nan 8.190 nan 0.000 0.429 201 H N 3.838 122.736 119.070 -0.288 0.000 2.472 201 H HA 0.618 5.164 4.556 -0.017 0.000 0.338 201 H C -1.288 173.766 175.328 -0.457 0.000 1.133 201 H CA -0.165 55.654 56.048 -0.381 0.000 1.216 201 H CB 1.940 31.254 29.762 -0.747 0.000 1.497 201 H HN 0.476 nan 8.280 nan 0.000 0.500 202 F N 0.271 120.304 119.950 0.139 0.000 2.613 202 F HA 0.221 4.738 4.527 -0.017 0.000 0.314 202 F C -0.289 175.645 175.800 0.223 0.000 1.075 202 F CA -0.513 57.568 58.000 0.134 0.000 0.945 202 F CB 1.137 40.114 39.000 -0.039 0.000 1.310 202 F HN 0.566 nan 8.300 nan 0.000 0.467 203 Y N 0.119 120.736 120.300 0.528 0.000 2.910 203 Y HA 0.014 4.554 4.550 -0.017 0.000 0.465 203 Y C 1.295 177.467 175.900 0.453 0.000 1.207 203 Y CA 0.542 58.866 58.100 0.373 0.000 2.473 203 Y CB -1.925 36.680 38.460 0.242 0.000 1.242 203 Y HN 1.293 nan 8.280 nan 0.000 0.634 204 G N 0.691 109.780 108.800 0.483 0.000 2.593 204 G HA2 0.126 4.076 3.960 -0.017 0.000 0.237 204 G HA3 0.126 4.076 3.960 -0.017 0.000 0.237 204 G C -0.593 174.530 174.900 0.373 0.000 1.312 204 G CA 0.922 46.229 45.100 0.346 0.000 0.896 204 G HN 1.380 nan 8.290 nan 0.000 0.574 205 R N -2.565 118.153 120.500 0.363 0.000 2.733 205 R HA 0.698 5.028 4.340 -0.017 0.000 0.272 205 R C -1.353 175.090 176.300 0.237 0.000 1.029 205 R CA -0.996 55.252 56.100 0.247 0.000 0.888 205 R CB 1.300 31.692 30.300 0.153 0.000 1.251 205 R HN 0.885 nan 8.270 nan 0.000 0.464 206 V N 1.057 121.026 119.914 0.092 0.000 2.394 206 V HA 0.341 4.451 4.120 -0.017 0.000 0.282 206 V C -0.148 175.904 176.094 -0.070 0.000 1.031 206 V CA -0.503 61.781 62.300 -0.026 0.000 0.881 206 V CB 1.297 33.034 31.823 -0.143 0.000 0.982 206 V HN 0.674 nan 8.190 nan 0.000 0.451 207 E N 3.176 123.309 120.200 -0.112 0.000 2.171 207 E HA 0.426 4.766 4.350 -0.017 0.000 0.271 207 E C -0.980 175.482 176.600 -0.230 0.000 0.916 207 E CA -0.713 55.633 56.400 -0.090 0.000 0.774 207 E CB 1.224 30.916 29.700 -0.013 0.000 1.128 207 E HN 0.684 nan 8.360 nan 0.000 0.403 208 H N 1.861 120.945 119.070 0.024 0.000 2.488 208 H HA 0.222 4.768 4.556 -0.017 0.000 0.322 208 H C 0.199 175.535 175.328 0.014 0.000 1.078 208 H CA -0.275 55.782 56.048 0.015 0.000 1.260 208 H CB 1.412 31.178 29.762 0.007 0.000 1.425 208 H HN 0.558 nan 8.280 nan 0.000 0.471 209 T N -0.797 113.817 114.554 0.100 0.000 2.905 209 T HA 0.211 4.551 4.350 -0.017 0.000 0.283 209 T C 1.372 176.110 174.700 0.064 0.000 1.031 209 T CA -0.750 61.389 62.100 0.065 0.000 1.002 209 T CB 1.346 70.236 68.868 0.036 0.000 1.200 209 T HN 0.379 nan 8.240 nan 0.000 0.560 210 S N 0.042 115.768 115.700 0.043 0.000 2.359 210 S HA -0.122 4.338 4.470 -0.017 0.000 0.224 210 S C 1.428 176.049 174.600 0.035 0.000 1.035 210 S CA 1.288 59.508 58.200 0.034 0.000 1.018 210 S CB -0.552 62.663 63.200 0.025 0.000 0.876 210 S HN 0.766 nan 8.310 nan 0.000 0.448 211 Q N 1.246 121.065 119.800 0.031 0.000 2.945 211 Q HA 0.428 4.758 4.340 -0.017 0.000 0.323 211 Q C 0.613 176.633 176.000 0.032 0.000 1.188 211 Q CA 0.283 56.103 55.803 0.028 0.000 0.929 211 Q CB -0.843 27.908 28.738 0.021 0.000 1.531 211 Q HN 0.494 nan 8.270 nan 0.000 0.444 212 G N 0.008 108.837 108.800 0.048 0.000 2.750 212 G HA2 -0.141 3.809 3.960 -0.017 0.000 0.228 212 G HA3 -0.141 3.809 3.960 -0.017 0.000 0.228 212 G C -0.362 174.565 174.900 0.045 0.000 1.367 212 G CA -0.648 44.488 45.100 0.060 0.000 0.871 212 G HN 0.752 nan 8.290 nan 0.000 0.560 213 A N 0.004 122.836 122.820 0.020 0.000 2.351 213 A HA 0.677 4.987 4.320 -0.017 0.000 0.257 213 A C 0.508 178.041 177.584 -0.085 0.000 1.087 213 A CA 0.545 52.508 52.037 -0.124 0.000 0.798 213 A CB 0.513 19.404 19.000 -0.181 0.000 1.033 213 A HN 0.796 nan 8.150 nan 0.000 0.488 214 K N 0.684 121.022 120.400 -0.103 0.000 2.468 214 K HA 0.209 4.519 4.320 -0.017 0.000 0.252 214 K C -1.882 174.750 176.600 0.054 0.000 0.932 214 K CA -0.341 55.935 56.287 -0.018 0.000 0.794 214 K CB 2.238 34.730 32.500 -0.014 0.000 1.241 214 K HN 0.740 nan 8.250 nan 0.000 0.428 215 W N 4.998 126.215 121.300 -0.137 0.000 2.291 215 W HA 0.395 5.045 4.660 -0.017 0.000 0.312 215 W C -0.680 175.777 176.519 -0.102 0.000 1.061 215 W CA -0.808 56.463 57.345 -0.124 0.000 1.296 215 W CB 0.254 29.628 29.460 -0.143 0.000 1.223 215 W HN 0.350 nan 8.180 nan 0.000 0.421 216 V N 2.652 122.621 119.914 0.091 0.000 3.155 216 V HA 0.619 4.729 4.120 -0.017 0.000 0.313 216 V C -0.268 175.809 176.094 -0.029 0.000 1.162 216 V CA -0.982 61.294 62.300 -0.040 0.000 1.048 216 V CB 1.895 33.724 31.823 0.009 0.000 1.092 216 V HN 0.468 nan 8.190 nan 0.000 0.447 217 D N 0.239 120.622 120.400 -0.028 0.000 2.772 217 D HA -0.135 4.495 4.640 -0.017 0.000 0.233 217 D C 0.495 176.807 176.300 0.020 0.000 1.143 217 D CA 1.546 55.553 54.000 0.012 0.000 0.700 217 D CB -1.624 39.207 40.800 0.051 0.000 1.076 217 D HN 1.335 nan 8.370 nan 0.000 0.430 218 T N -2.987 111.535 114.554 -0.054 0.000 2.913 218 T HA 0.493 4.833 4.350 -0.017 0.000 0.287 218 T C 0.432 175.196 174.700 0.106 0.000 1.008 218 T CA -0.798 61.289 62.100 -0.022 0.000 1.067 218 T CB 1.946 70.644 68.868 -0.283 0.000 0.996 218 T HN 0.051 nan 8.240 nan 0.000 0.513 219 Q N 0.770 120.703 119.800 0.221 0.000 2.261 219 Q HA 0.537 4.867 4.340 -0.017 0.000 0.252 219 Q C -0.882 175.244 176.000 0.209 0.000 0.915 219 Q CA -0.760 55.191 55.803 0.247 0.000 0.915 219 Q CB 1.573 30.537 28.738 0.376 0.000 1.204 219 Q HN 0.544 nan 8.270 nan 0.000 0.421 220 V N 3.357 123.352 119.914 0.135 0.000 2.398 220 V HA 0.384 4.495 4.120 -0.017 0.000 0.286 220 V C -0.364 175.811 176.094 0.134 0.000 1.026 220 V CA -0.648 61.648 62.300 -0.006 0.000 0.868 220 V CB 1.625 33.388 31.823 -0.100 0.000 0.982 220 V HN 0.485 nan 8.190 nan 0.000 0.443 221 V N 6.055 126.064 119.914 0.158 0.000 2.555 221 V HA 0.486 4.596 4.120 -0.017 0.000 0.302 221 V C -0.094 176.100 176.094 0.167 0.000 1.038 221 V CA -0.664 61.756 62.300 0.201 0.000 0.887 221 V CB 1.929 33.953 31.823 0.334 0.000 0.991 221 V HN 0.634 nan 8.190 nan 0.000 0.434 222 L N 3.569 124.886 121.223 0.156 0.000 2.350 222 L HA 0.712 5.042 4.340 -0.017 0.000 0.275 222 L C 0.461 177.506 176.870 0.293 0.000 1.099 222 L CA -0.298 54.631 54.840 0.149 0.000 0.808 222 L CB 1.333 43.460 42.059 0.113 0.000 1.149 222 L HN 0.764 nan 8.230 nan 0.000 0.442 223 A N 5.228 128.165 122.820 0.196 0.000 2.267 223 A HA 0.585 4.895 4.320 -0.017 0.000 0.315 223 A C -0.491 177.360 177.584 0.444 0.000 1.297 223 A CA -0.472 51.715 52.037 0.249 0.000 0.865 223 A CB 0.904 19.613 19.000 -0.486 0.000 1.165 223 A HN 0.784 nan 8.150 nan 0.000 0.513 224 M N 5.929 125.848 119.600 0.532 0.000 2.129 224 M HA 0.459 4.930 4.480 -0.017 0.000 0.348 224 M C -2.625 173.922 176.300 0.412 0.000 1.116 224 M CA -2.163 53.384 55.300 0.411 0.000 1.022 224 M CB 1.997 34.760 32.600 0.271 0.000 1.599 224 M HN 0.333 nan 8.290 nan 0.000 0.449 225 P HA 0.257 nan 4.420 nan 0.000 0.284 225 P C -1.922 175.290 177.300 -0.147 0.000 1.253 225 P CA 0.011 62.984 63.100 -0.212 0.000 0.800 225 P CB 0.477 31.867 31.700 -0.516 0.000 0.961 226 Y N 0.651 120.875 120.300 -0.128 0.000 2.350 226 Y HA 0.331 4.871 4.550 -0.017 0.000 0.338 226 Y C 0.260 176.135 175.900 -0.042 0.000 0.961 226 Y CA -0.287 57.797 58.100 -0.026 0.000 1.100 226 Y CB 1.331 39.810 38.460 0.032 0.000 1.179 226 Y HN 0.222 nan 8.280 nan 0.000 0.454 227 D N 1.885 122.382 120.400 0.161 0.000 2.168 227 D HA 0.433 5.063 4.640 -0.017 0.000 0.246 227 D C -0.604 175.929 176.300 0.388 0.000 1.050 227 D CA -0.221 53.919 54.000 0.233 0.000 0.857 227 D CB 1.833 42.778 40.800 0.241 0.000 1.169 227 D HN 0.378 nan 8.370 nan 0.000 0.453 228 T N 2.843 117.538 114.554 0.234 0.000 2.848 228 T HA 0.471 4.811 4.350 -0.017 0.000 0.285 228 T C -2.562 171.979 174.700 -0.265 0.000 0.995 228 T CA -1.409 60.714 62.100 0.038 0.000 0.970 228 T CB 2.214 71.099 68.868 0.029 0.000 0.976 228 T HN 0.179 nan 8.240 nan 0.000 0.441 229 P HA 0.358 nan 4.420 nan 0.000 0.275 229 P C -1.061 175.921 177.300 -0.530 0.000 1.228 229 P CA -0.419 62.026 63.100 -1.091 0.000 0.786 229 P CB 0.909 31.831 31.700 -1.298 0.000 0.927 230 V N 4.395 124.056 119.914 -0.421 0.000 2.340 230 V HA 0.261 4.371 4.120 -0.017 0.000 0.277 230 V C -2.177 173.790 176.094 -0.212 0.000 1.017 230 V CA -1.878 60.265 62.300 -0.260 0.000 0.820 230 V CB 1.398 33.114 31.823 -0.178 0.000 1.028 230 V HN 0.544 nan 8.190 nan 0.000 0.436 231 P HA 0.281 nan 4.420 nan 0.000 0.280 231 P C 0.410 177.661 177.300 -0.080 0.000 1.244 231 P CA 0.283 63.297 63.100 -0.143 0.000 0.784 231 P CB 1.524 33.136 31.700 -0.147 0.000 0.913 232 G N 2.170 110.941 108.800 -0.048 0.000 2.634 232 G HA2 0.096 4.046 3.960 -0.017 0.000 0.255 232 G HA3 0.096 4.046 3.960 -0.017 0.000 0.255 232 G C -1.105 173.809 174.900 0.024 0.000 1.205 232 G CA -0.556 44.544 45.100 0.000 0.000 0.884 232 G HN 0.520 nan 8.290 nan 0.000 0.549 233 Y N 0.605 120.867 120.300 -0.062 0.000 2.640 233 Y HA 0.259 4.799 4.550 -0.017 0.000 0.355 233 Y C 1.193 177.056 175.900 -0.061 0.000 1.088 233 Y CA -0.243 57.816 58.100 -0.069 0.000 1.443 233 Y CB 0.006 38.425 38.460 -0.069 0.000 1.224 233 Y HN 0.716 nan 8.280 nan 0.000 0.516 234 R N 2.550 122.774 120.500 -0.460 0.000 3.627 234 R HA -0.320 4.010 4.340 -0.017 0.000 0.281 234 R C 0.125 176.291 176.300 -0.223 0.000 1.140 234 R CA 1.465 57.311 56.100 -0.422 0.000 0.761 234 R CB -1.965 27.927 30.300 -0.681 0.000 1.181 234 R HN 0.944 nan 8.270 nan 0.000 0.472 235 N N -1.265 117.355 118.700 -0.134 0.000 2.184 235 N HA 0.061 4.791 4.740 -0.017 0.000 0.206 235 N C -0.146 175.319 175.510 -0.075 0.000 1.151 235 N CA -0.311 52.691 53.050 -0.080 0.000 0.878 235 N CB 0.498 38.963 38.487 -0.035 0.000 1.014 235 N HN 0.085 nan 8.380 nan 0.000 0.512 236 N N -0.197 118.454 118.700 -0.082 0.000 2.778 236 N HA -0.135 4.595 4.740 -0.017 0.000 0.249 236 N C -0.919 174.554 175.510 -0.062 0.000 1.069 236 N CA 0.542 53.550 53.050 -0.069 0.000 0.831 236 N CB -1.324 37.121 38.487 -0.070 0.000 1.142 236 N HN 0.184 nan 8.380 nan 0.000 0.573 237 V N 1.221 121.104 119.914 -0.051 0.000 2.498 237 V HA 0.373 4.483 4.120 -0.017 0.000 0.279 237 V C 0.619 176.692 176.094 -0.035 0.000 1.048 237 V CA -0.386 61.893 62.300 -0.034 0.000 0.967 237 V CB 1.975 33.803 31.823 0.010 0.000 0.988 237 V HN -0.022 nan 8.190 nan 0.000 0.473 238 V N 5.564 125.467 119.914 -0.019 0.000 2.419 238 V HA 0.433 4.543 4.120 -0.017 0.000 0.287 238 V C -0.064 176.047 176.094 0.029 0.000 1.017 238 V CA -0.891 61.373 62.300 -0.061 0.000 0.844 238 V CB 1.393 33.150 31.823 -0.111 0.000 1.011 238 V HN 0.833 nan 8.190 nan 0.000 0.429 239 N N 2.000 120.680 118.700 -0.032 0.000 2.405 239 N HA 0.569 5.299 4.740 -0.017 0.000 0.269 239 N C -0.026 175.486 175.510 0.004 0.000 1.249 239 N CA -0.291 52.758 53.050 -0.002 0.000 0.974 239 N CB 1.165 39.598 38.487 -0.090 0.000 1.204 239 N HN 0.590 nan 8.380 nan 0.000 0.565 240 T N 0.684 115.244 114.554 0.009 0.000 2.841 240 T HA 0.393 4.733 4.350 -0.017 0.000 0.283 240 T C -0.210 174.465 174.700 -0.043 0.000 1.000 240 T CA -0.517 61.663 62.100 0.134 0.000 0.977 240 T CB 1.125 70.176 68.868 0.305 0.000 0.979 240 T HN 0.300 nan 8.240 nan 0.000 0.446 241 M N 3.698 123.238 119.600 -0.099 0.000 2.101 241 M HA 0.488 4.958 4.480 -0.017 0.000 0.340 241 M C -0.408 175.749 176.300 -0.238 0.000 1.057 241 M CA -0.737 54.415 55.300 -0.247 0.000 0.984 241 M CB 0.673 33.066 32.600 -0.345 0.000 1.560 241 M HN 0.490 nan 8.290 nan 0.000 0.435 242 R N 5.950 126.200 120.500 -0.417 0.000 2.265 242 R HA 0.604 4.934 4.340 -0.017 0.000 0.328 242 R C -1.915 174.103 176.300 -0.469 0.000 0.969 242 R CA -0.411 55.392 56.100 -0.494 0.000 0.832 242 R CB 0.799 30.621 30.300 -0.797 0.000 1.139 242 R HN 0.810 nan 8.270 nan 0.000 0.457 243 L N 5.112 126.162 121.223 -0.289 0.000 2.322 243 L HA 0.499 4.829 4.340 -0.017 0.000 0.281 243 L C -0.802 176.023 176.870 -0.074 0.000 1.014 243 L CA -0.916 53.852 54.840 -0.120 0.000 0.815 243 L CB 1.461 43.532 42.059 0.021 0.000 1.247 243 L HN 0.583 nan 8.230 nan 0.000 0.421 244 W N 1.878 123.305 121.300 0.213 0.000 2.376 244 W HA 0.496 5.146 4.660 -0.016 0.000 0.322 244 W C 0.540 177.292 176.519 0.389 0.000 1.160 244 W CA -0.177 57.322 57.345 0.256 0.000 1.218 244 W CB 1.493 30.978 29.460 0.043 0.000 1.205 244 W HN 0.341 nan 8.180 nan 0.000 0.559 245 S N 1.660 117.773 115.700 0.688 0.000 2.513 245 S HA 0.796 5.256 4.470 -0.017 0.000 0.299 245 S C -0.574 174.365 174.600 0.565 0.000 1.087 245 S CA -0.713 57.790 58.200 0.506 0.000 1.012 245 S CB 0.744 64.200 63.200 0.426 0.000 1.044 245 S HN 0.523 nan 8.310 nan 0.000 0.485 246 A N 4.485 127.471 122.820 0.276 0.000 2.301 246 A HA 0.692 5.002 4.320 -0.017 0.000 0.298 246 A C -0.227 177.424 177.584 0.111 0.000 1.185 246 A CA -0.394 51.712 52.037 0.116 0.000 0.830 246 A CB 0.454 19.248 19.000 -0.342 0.000 1.112 246 A HN 0.657 nan 8.150 nan 0.000 0.508 247 K N 1.210 121.690 120.400 0.133 0.000 2.427 247 K HA 0.598 4.908 4.320 -0.017 0.000 0.252 247 K C -0.450 176.152 176.600 0.003 0.000 0.931 247 K CA -0.446 55.881 56.287 0.067 0.000 0.793 247 K CB 2.244 34.811 32.500 0.112 0.000 1.211 247 K HN 0.856 nan 8.250 nan 0.000 0.426 248 A N 4.334 127.097 122.820 -0.096 0.000 2.425 248 A HA 0.417 4.727 4.320 -0.017 0.000 0.249 248 A C -2.112 175.460 177.584 -0.019 0.000 1.084 248 A CA -0.925 51.001 52.037 -0.185 0.000 0.781 248 A CB -0.315 18.405 19.000 -0.467 0.000 1.019 248 A HN 0.351 nan 8.150 nan 0.000 0.490 249 P HA 0.149 nan 4.420 nan 0.000 0.274 249 P C 0.022 177.404 177.300 0.137 0.000 1.237 249 P CA -0.395 62.770 63.100 0.108 0.000 0.793 249 P CB 0.629 32.407 31.700 0.130 0.000 0.977 250 N N 0.599 119.361 118.700 0.103 0.000 2.396 250 N HA -0.113 4.617 4.740 -0.017 0.000 0.180 250 N C 0.799 176.380 175.510 0.119 0.000 1.028 250 N CA 0.986 54.096 53.050 0.100 0.000 0.893 250 N CB -0.450 38.079 38.487 0.071 0.000 0.967 250 N HN 0.538 nan 8.380 nan 0.000 0.440 251 D N -0.784 119.686 120.400 0.117 0.000 2.370 251 D HA -0.082 4.548 4.640 -0.017 0.000 0.230 251 D C -0.034 176.331 176.300 0.108 0.000 1.143 251 D CA -0.575 53.483 54.000 0.097 0.000 0.834 251 D CB -1.094 39.744 40.800 0.063 0.000 0.944 251 D HN 0.066 nan 8.370 nan 0.000 0.504 252 F N 1.924 121.887 119.950 0.022 0.000 2.578 252 F HA 0.086 4.603 4.527 -0.016 0.000 0.376 252 F C 0.948 176.753 175.800 0.008 0.000 1.085 252 F CA 0.268 58.278 58.000 0.017 0.000 1.260 252 F CB 0.213 39.223 39.000 0.017 0.000 1.095 252 F HN -0.128 nan 8.300 nan 0.000 0.573 253 N N 2.300 120.543 118.700 -0.762 0.000 2.765 253 N HA -0.285 4.445 4.740 -0.017 0.000 0.248 253 N C -0.830 174.577 175.510 -0.173 0.000 1.063 253 N CA 1.632 54.389 53.050 -0.488 0.000 0.862 253 N CB -1.111 37.142 38.487 -0.391 0.000 1.145 253 N HN 0.561 nan 8.380 nan 0.000 0.581 262 Y N 1.804 122.109 120.300 0.009 0.000 2.114 262 Y HA 0.030 4.570 4.550 -0.017 0.000 0.284 262 Y C 2.717 178.631 175.900 0.024 0.000 1.143 262 Y CA 2.164 60.273 58.100 0.015 0.000 1.135 262 Y CB -0.139 38.329 38.460 0.013 0.000 0.980 262 Y HN 0.190 nan 8.280 nan 0.000 0.499 263 I N 0.529 121.049 120.570 -0.083 0.000 2.127 263 I HA -0.316 3.844 4.170 -0.017 0.000 0.241 263 I C 2.381 178.410 176.117 -0.147 0.000 1.075 263 I CA 1.510 62.712 61.300 -0.163 0.000 1.334 263 I CB -1.395 36.609 38.000 0.007 0.000 1.040 263 I HN 0.379 nan 8.210 nan 0.000 0.405 264 Q N 0.543 120.305 119.800 -0.064 0.000 2.061 264 Q HA -0.164 4.166 4.340 -0.017 0.000 0.204 264 Q C 2.397 178.375 176.000 -0.036 0.000 0.984 264 Q CA 2.006 57.788 55.803 -0.035 0.000 0.846 264 Q CB -0.485 28.247 28.738 -0.010 0.000 0.902 264 Q HN 0.556 nan 8.270 nan 0.000 0.421 265 A N 0.090 122.872 122.820 -0.063 0.000 1.917 265 A HA -0.167 4.143 4.320 -0.017 0.000 0.219 265 A C 2.431 180.014 177.584 -0.001 0.000 1.182 265 A CA 1.878 53.892 52.037 -0.039 0.000 0.633 265 A CB -0.756 18.208 19.000 -0.060 0.000 0.819 265 A HN 0.237 nan 8.150 nan 0.000 0.448 266 V N 0.095 119.923 119.914 -0.144 0.000 2.358 266 V HA -0.230 3.880 4.120 -0.017 0.000 0.246 266 V C 2.515 178.588 176.094 -0.036 0.000 1.047 266 V CA 1.849 64.078 62.300 -0.118 0.000 1.035 266 V CB -0.734 30.923 31.823 -0.276 0.000 0.658 266 V HN 0.572 nan 8.190 nan 0.000 0.452 267 L N -0.196 121.003 121.223 -0.041 0.000 2.201 267 L HA -0.143 4.187 4.340 -0.017 0.000 0.212 267 L C 2.000 178.888 176.870 0.031 0.000 1.105 267 L CA 1.190 56.024 54.840 -0.009 0.000 0.775 267 L CB -0.657 41.395 42.059 -0.013 0.000 0.913 267 L HN 0.339 nan 8.230 nan 0.000 0.440 268 D N -0.019 120.437 120.400 0.093 0.000 2.363 268 D HA -0.068 4.562 4.640 -0.017 0.000 0.220 268 D C 2.123 178.554 176.300 0.217 0.000 0.994 268 D CA 0.410 54.523 54.000 0.187 0.000 0.890 268 D CB 0.001 40.949 40.800 0.247 0.000 0.906 268 D HN 0.221 nan 8.370 nan 0.000 0.530 269 R N 0.409 120.944 120.500 0.058 0.000 2.170 269 R HA -0.100 4.230 4.340 -0.017 0.000 0.242 269 R C 1.714 177.832 176.300 -0.303 0.000 1.145 269 R CA 0.964 56.856 56.100 -0.346 0.000 0.984 269 R CB -0.305 29.884 30.300 -0.184 0.000 0.869 269 R HN 0.355 nan 8.270 nan 0.000 0.455 270 N N 0.211 118.840 118.700 -0.117 0.000 2.137 270 N HA -0.193 4.537 4.740 -0.017 0.000 0.190 270 N C 1.227 176.692 175.510 -0.076 0.000 1.017 270 N CA 0.820 53.827 53.050 -0.073 0.000 0.859 270 N CB -0.089 38.386 38.487 -0.019 0.000 1.002 270 N HN 0.021 nan 8.380 nan 0.000 0.428 271 L N 1.037 122.224 121.223 -0.059 0.000 2.046 271 L HA -0.118 4.212 4.340 -0.017 0.000 0.208 271 L C 2.459 179.280 176.870 -0.082 0.000 1.077 271 L CA 1.379 56.207 54.840 -0.020 0.000 0.747 271 L CB -1.234 40.876 42.059 0.085 0.000 0.896 271 L HN 0.155 nan 8.230 nan 0.000 0.432 272 A N -0.679 122.010 122.820 -0.218 0.000 1.898 272 A HA -0.173 4.137 4.320 -0.017 0.000 0.216 272 A C 2.132 179.611 177.584 -0.174 0.000 1.181 272 A CA 1.407 53.312 52.037 -0.220 0.000 0.620 272 A CB -0.447 18.308 19.000 -0.409 0.000 0.819 272 A HN 0.532 nan 8.150 nan 0.000 0.442 273 E N 0.043 120.146 120.200 -0.163 0.000 2.427 273 E HA -0.068 4.272 4.350 -0.017 0.000 0.196 273 E C 0.950 177.513 176.600 -0.062 0.000 1.028 273 E CA 0.216 56.555 56.400 -0.102 0.000 0.864 273 E CB -0.148 29.509 29.700 -0.072 0.000 0.813 273 E HN 0.455 nan 8.360 nan 0.000 0.514 274 N N 0.995 119.663 118.700 -0.053 0.000 2.453 274 N HA -0.074 4.656 4.740 -0.017 0.000 0.183 274 N C 1.577 177.082 175.510 -0.007 0.000 1.041 274 N CA 0.570 53.617 53.050 -0.005 0.000 0.900 274 N CB -0.015 38.473 38.487 0.001 0.000 0.961 274 N HN 0.250 nan 8.380 nan 0.000 0.443 275 I N 0.366 120.875 120.570 -0.101 0.000 2.208 275 I HA -0.246 3.914 4.170 -0.017 0.000 0.245 275 I C 1.415 177.492 176.117 -0.065 0.000 1.097 275 I CA 1.238 62.445 61.300 -0.155 0.000 1.363 275 I CB -0.140 37.606 38.000 -0.422 0.000 1.051 275 I HN 0.117 nan 8.210 nan 0.000 0.413 276 S N -0.562 115.096 115.700 -0.070 0.000 2.583 276 S HA 0.192 4.652 4.470 -0.017 0.000 0.239 276 S C 1.468 176.200 174.600 0.220 0.000 0.966 276 S CA -0.530 57.716 58.200 0.076 0.000 0.973 276 S CB 0.199 63.423 63.200 0.041 0.000 0.794 276 S HN 0.208 nan 8.310 nan 0.000 0.463 277 R N 1.198 121.833 120.500 0.224 0.000 2.075 277 R HA 0.291 4.621 4.340 -0.017 0.000 0.226 277 R C 0.348 176.907 176.300 0.433 0.000 1.114 277 R CA 0.987 57.263 56.100 0.294 0.000 0.972 277 R CB -0.133 30.305 30.300 0.230 0.000 0.869 277 R HN 0.395 nan 8.270 nan 0.000 0.437 278 V N 0.335 120.466 119.914 0.362 0.000 2.932 278 V HA 0.350 4.460 4.120 -0.017 0.000 0.307 278 V C -1.689 174.377 176.094 -0.048 0.000 1.147 278 V CA -1.369 61.061 62.300 0.217 0.000 0.951 278 V CB 1.801 33.670 31.823 0.076 0.000 1.031 278 V HN 0.124 nan 8.190 nan 0.000 0.426 279 L N 6.965 127.935 121.223 -0.423 0.000 2.361 279 L HA 0.482 4.812 4.340 -0.017 0.000 0.278 279 L C -0.773 175.935 176.870 -0.270 0.000 1.113 279 L CA 0.417 54.808 54.840 -0.749 0.000 0.849 279 L CB 0.407 41.938 42.059 -0.881 0.000 1.155 279 L HN 0.683 nan 8.230 nan 0.000 0.452 280 Y N 7.380 127.583 120.300 -0.161 0.000 2.650 280 Y HA 0.140 4.680 4.550 -0.017 0.000 0.331 280 Y C -1.296 174.591 175.900 -0.022 0.000 1.165 280 Y CA -0.812 57.266 58.100 -0.037 0.000 1.473 280 Y CB 0.320 38.782 38.460 0.004 0.000 1.224 280 Y HN 0.591 nan 8.280 nan 0.000 0.533 281 P HA -0.009 nan 4.420 nan 0.000 0.267 281 P C -0.620 176.816 177.300 0.226 0.000 1.289 281 P CA 0.160 63.368 63.100 0.179 0.000 0.866 281 P CB 0.289 32.173 31.700 0.307 0.000 1.309 282 N N 1.541 120.384 118.700 0.238 0.000 2.895 282 N HA -0.028 4.702 4.740 -0.017 0.000 0.277 282 N C 0.177 175.826 175.510 0.231 0.000 1.185 282 N CA -0.001 53.193 53.050 0.239 0.000 1.106 282 N CB -0.079 38.552 38.487 0.240 0.000 1.422 282 N HN 0.110 nan 8.380 nan 0.000 0.521 283 D N 0.868 121.425 120.400 0.261 0.000 2.363 283 D HA -0.162 4.468 4.640 -0.017 0.000 0.220 283 D C 0.970 177.481 176.300 0.351 0.000 0.994 283 D CA 0.267 54.438 54.000 0.284 0.000 0.890 283 D CB -0.095 40.892 40.800 0.312 0.000 0.906 283 D HN 0.479 nan 8.370 nan 0.000 0.530 284 N N -0.014 118.894 118.700 0.347 0.000 2.368 284 N HA -0.058 4.672 4.740 -0.017 0.000 0.176 284 N C -0.272 175.388 175.510 0.251 0.000 1.021 284 N CA 0.046 53.274 53.050 0.296 0.000 0.888 284 N CB -0.145 38.345 38.487 0.004 0.000 0.995 284 N HN 0.228 nan 8.380 nan 0.000 0.437 285 F N 0.619 120.598 119.950 0.048 0.000 2.607 285 F HA 0.387 4.904 4.527 -0.017 0.000 0.322 285 F C -1.243 174.592 175.800 0.059 0.000 1.176 285 F CA -1.693 56.324 58.000 0.029 0.000 0.977 285 F CB 1.133 40.106 39.000 -0.044 0.000 1.242 285 F HN -0.099 nan 8.300 nan 0.000 0.465 286 F N 5.759 125.331 119.950 -0.631 0.000 2.578 286 F HA 0.258 4.775 4.527 -0.017 0.000 0.381 286 F C -0.148 175.239 175.800 -0.688 0.000 1.069 286 F CA 0.474 58.128 58.000 -0.576 0.000 1.231 286 F CB 0.399 39.073 39.000 -0.544 0.000 1.086 286 F HN 0.531 nan 8.300 nan 0.000 0.564 287 E N 4.010 123.586 120.200 -1.039 0.000 2.155 287 E HA 0.251 4.591 4.350 -0.017 0.000 0.264 287 E C -0.005 175.802 176.600 -1.321 0.000 0.886 287 E CA -0.679 55.196 56.400 -0.876 0.000 0.752 287 E CB 1.602 31.154 29.700 -0.247 0.000 1.133 287 E HN 0.869 nan 8.360 nan 0.000 0.414 288 G N 4.488 112.532 108.800 -1.261 0.000 3.003 288 G HA2 -0.024 3.926 3.960 -0.017 0.000 0.266 288 G HA3 -0.024 3.926 3.960 -0.017 0.000 0.266 288 G C 0.106 174.995 174.900 -0.019 0.000 0.755 288 G CA -0.139 44.498 45.100 -0.772 0.000 2.061 288 G HN 0.160 nan 8.290 nan 0.000 0.599 289 K N 0.683 121.091 120.400 0.013 0.000 2.172 289 K HA 0.141 4.451 4.320 -0.017 0.000 0.276 289 K C 0.962 177.686 176.600 0.206 0.000 1.013 289 K CA -0.515 55.847 56.287 0.124 0.000 0.913 289 K CB 2.214 34.779 32.500 0.108 0.000 1.055 289 K HN 0.480 nan 8.250 nan 0.000 0.461 290 E N 2.054 122.341 120.200 0.145 0.000 2.085 290 E HA -0.219 4.121 4.350 -0.017 0.000 0.194 290 E C 1.600 178.214 176.600 0.024 0.000 0.994 290 E CA 1.055 57.492 56.400 0.061 0.000 0.801 290 E CB 0.151 29.892 29.700 0.070 0.000 0.743 290 E HN 0.430 nan 8.360 nan 0.000 0.453 291 L N 1.463 122.744 121.223 0.097 0.000 2.043 291 L HA -0.212 4.118 4.340 -0.017 0.000 0.212 291 L C 2.516 179.464 176.870 0.129 0.000 1.075 291 L CA 1.993 56.909 54.840 0.127 0.000 0.752 291 L CB -0.572 41.632 42.059 0.242 0.000 0.891 291 L HN 0.028 nan 8.230 nan 0.000 0.432 292 R N -0.645 119.880 120.500 0.043 0.000 2.096 292 R HA -0.170 4.160 4.340 -0.017 0.000 0.235 292 R C 2.111 178.433 176.300 0.036 0.000 1.127 292 R CA 1.913 57.948 56.100 -0.109 0.000 0.968 292 R CB -1.026 28.985 30.300 -0.482 0.000 0.861 292 R HN 0.425 nan 8.270 nan 0.000 0.440 293 L N 0.867 122.031 121.223 -0.100 0.000 2.046 293 L HA -0.075 4.255 4.340 -0.017 0.000 0.208 293 L C 1.763 178.569 176.870 -0.106 0.000 1.077 293 L CA 1.934 56.524 54.840 -0.416 0.000 0.747 293 L CB -0.448 41.084 42.059 -0.878 0.000 0.896 293 L HN 0.155 nan 8.230 nan 0.000 0.432 294 K N -0.961 119.413 120.400 -0.045 0.000 2.103 294 K HA -0.218 4.093 4.320 -0.017 0.000 0.207 294 K C 2.096 178.844 176.600 0.246 0.000 1.048 294 K CA 1.869 58.194 56.287 0.064 0.000 0.930 294 K CB -0.194 32.163 32.500 -0.238 0.000 0.716 294 K HN 0.517 nan 8.250 nan 0.000 0.444 295 Q N 0.509 120.422 119.800 0.188 0.000 2.084 295 Q HA -0.181 4.149 4.340 -0.017 0.000 0.202 295 Q C 1.937 178.129 176.000 0.319 0.000 0.978 295 Q CA 1.393 57.363 55.803 0.278 0.000 0.844 295 Q CB -0.002 28.921 28.738 0.308 0.000 0.898 295 Q HN 0.392 nan 8.270 nan 0.000 0.426 296 E N -0.176 120.168 120.200 0.240 0.000 2.077 296 E HA -0.206 4.134 4.350 -0.017 0.000 0.193 296 E C 1.722 178.440 176.600 0.197 0.000 0.989 296 E CA 0.970 57.500 56.400 0.216 0.000 0.800 296 E CB -0.121 29.689 29.700 0.183 0.000 0.746 296 E HN 0.317 nan 8.360 nan 0.000 0.452 297 Y N 0.391 120.740 120.300 0.081 0.000 2.200 297 Y HA -0.211 4.329 4.550 -0.017 0.000 0.290 297 Y C 1.967 177.911 175.900 0.073 0.000 1.137 297 Y CA 1.093 59.205 58.100 0.020 0.000 1.163 297 Y CB -0.363 38.083 38.460 -0.023 0.000 0.988 297 Y HN 0.019 nan 8.280 nan 0.000 0.518 298 F N -0.441 119.502 119.950 -0.011 0.000 2.095 298 F HA -0.228 4.289 4.527 -0.017 0.000 0.298 298 F C 2.451 178.096 175.800 -0.259 0.000 1.104 298 F CA 1.944 59.879 58.000 -0.108 0.000 1.232 298 F CB -0.945 38.143 39.000 0.146 0.000 0.987 298 F HN -0.051 nan 8.300 nan 0.000 0.475 299 V N -0.596 119.280 119.914 -0.064 0.000 2.379 299 V HA -0.176 3.934 4.120 -0.017 0.000 0.245 299 V C 2.176 178.116 176.094 -0.256 0.000 1.044 299 V CA 1.864 64.095 62.300 -0.115 0.000 1.036 299 V CB -0.328 31.628 31.823 0.221 0.000 0.664 299 V HN 0.240 nan 8.190 nan 0.000 0.453 300 V N 0.540 120.318 119.914 -0.225 0.000 2.295 300 V HA -0.190 3.920 4.120 -0.017 0.000 0.246 300 V C 2.822 178.660 176.094 -0.427 0.000 1.049 300 V CA 2.204 64.354 62.300 -0.250 0.000 1.024 300 V CB -1.044 30.696 31.823 -0.138 0.000 0.648 300 V HN 0.650 nan 8.190 nan 0.000 0.447 301 A N -0.285 122.115 122.820 -0.701 0.000 1.873 301 A HA -0.074 4.236 4.320 -0.017 0.000 0.215 301 A C 2.398 179.606 177.584 -0.626 0.000 1.186 301 A CA 2.033 53.648 52.037 -0.704 0.000 0.616 301 A CB -0.784 17.588 19.000 -1.047 0.000 0.823 301 A HN 0.558 nan 8.150 nan 0.000 0.442 302 A N -0.957 121.325 122.820 -0.898 0.000 1.873 302 A HA -0.062 4.248 4.320 -0.017 0.000 0.215 302 A C 2.319 179.396 177.584 -0.844 0.000 1.186 302 A CA 2.286 53.599 52.037 -1.206 0.000 0.616 302 A CB -1.357 16.243 19.000 -2.333 0.000 0.823 302 A HN 0.421 nan 8.150 nan 0.000 0.442 303 T N 0.648 114.837 114.554 -0.608 0.000 2.652 303 T HA -0.145 4.195 4.350 -0.017 0.000 0.267 303 T C 1.834 176.254 174.700 -0.466 0.000 1.039 303 T CA 1.586 63.438 62.100 -0.413 0.000 1.153 303 T CB -0.448 68.182 68.868 -0.396 0.000 0.863 303 T HN 0.339 nan 8.240 nan 0.000 0.428 304 L N 0.654 121.654 121.223 -0.370 0.000 2.083 304 L HA -0.168 4.162 4.340 -0.017 0.000 0.209 304 L C 2.933 179.686 176.870 -0.196 0.000 1.083 304 L CA 1.420 56.098 54.840 -0.270 0.000 0.752 304 L CB -0.554 41.389 42.059 -0.194 0.000 0.899 304 L HN 0.377 nan 8.230 nan 0.000 0.433 305 Q N -0.542 119.140 119.800 -0.196 0.000 2.084 305 Q HA -0.251 4.079 4.340 -0.017 0.000 0.202 305 Q C 1.787 177.755 176.000 -0.054 0.000 0.978 305 Q CA 1.749 57.488 55.803 -0.106 0.000 0.844 305 Q CB -0.123 28.541 28.738 -0.123 0.000 0.898 305 Q HN 0.392 nan 8.270 nan 0.000 0.426 306 D N 0.520 120.878 120.400 -0.070 0.000 2.117 306 D HA -0.109 4.521 4.640 -0.017 0.000 0.197 306 D C 1.656 177.905 176.300 -0.086 0.000 0.987 306 D CA 0.884 54.894 54.000 0.015 0.000 0.829 306 D CB -0.024 40.888 40.800 0.186 0.000 0.961 306 D HN 0.162 nan 8.370 nan 0.000 0.460 307 I N 0.062 120.470 120.570 -0.270 0.000 2.179 307 I HA -0.245 3.915 4.170 -0.017 0.000 0.242 307 I C 2.323 178.447 176.117 0.012 0.000 1.088 307 I CA 0.777 61.865 61.300 -0.354 0.000 1.357 307 I CB -0.150 37.488 38.000 -0.604 0.000 1.051 307 I HN 0.044 nan 8.210 nan 0.000 0.409 308 I N 0.213 120.845 120.570 0.103 0.000 2.252 308 I HA -0.295 3.865 4.170 -0.017 0.000 0.245 308 I C 2.759 179.036 176.117 0.267 0.000 1.102 308 I CA 1.171 62.648 61.300 0.295 0.000 1.385 308 I CB -0.371 37.759 38.000 0.216 0.000 1.064 308 I HN 0.168 nan 8.210 nan 0.000 0.414 309 R N 1.107 121.695 120.500 0.148 0.000 2.112 309 R HA -0.256 4.074 4.340 -0.017 0.000 0.242 309 R C 2.509 178.883 176.300 0.123 0.000 1.137 309 R CA 2.007 58.181 56.100 0.122 0.000 0.944 309 R CB -0.310 30.046 30.300 0.095 0.000 0.857 309 R HN 0.172 nan 8.270 nan 0.000 0.435 310 R N -0.798 119.769 120.500 0.113 0.000 2.081 310 R HA -0.172 4.158 4.340 -0.017 0.000 0.235 310 R C 2.215 178.604 176.300 0.149 0.000 1.131 310 R CA 1.795 57.965 56.100 0.116 0.000 0.960 310 R CB -0.404 29.953 30.300 0.096 0.000 0.856 310 R HN 0.320 nan 8.270 nan 0.000 0.436 311 F N 1.506 121.485 119.950 0.049 0.000 2.134 311 F HA -0.147 4.370 4.527 -0.017 0.000 0.299 311 F C 1.624 177.427 175.800 0.005 0.000 1.097 311 F CA 1.590 59.608 58.000 0.029 0.000 1.264 311 F CB 0.026 39.086 39.000 0.099 0.000 1.001 311 F HN -0.134 nan 8.300 nan 0.000 0.479 312 K N -0.398 119.966 120.400 -0.059 0.000 2.365 312 K HA 0.004 4.314 4.320 -0.017 0.000 0.199 312 K C 1.413 177.919 176.600 -0.156 0.000 1.045 312 K CA 0.979 57.154 56.287 -0.187 0.000 0.962 312 K CB -0.139 32.370 32.500 0.015 0.000 0.759 312 K HN 0.125 nan 8.250 nan 0.000 0.469 313 S N 0.803 116.462 115.700 -0.069 0.000 2.679 313 S HA 0.117 4.577 4.470 -0.017 0.000 0.233 313 S C 0.231 174.798 174.600 -0.054 0.000 0.951 313 S CA -0.279 57.918 58.200 -0.004 0.000 0.973 313 S CB 0.307 63.571 63.200 0.107 0.000 0.778 313 S HN 0.106 nan 8.310 nan 0.000 0.477 325 N N 1.029 119.738 118.700 0.014 0.000 2.508 325 N HA 0.225 4.955 4.740 -0.017 0.000 0.253 325 N C -0.284 175.295 175.510 0.115 0.000 1.145 325 N CA -0.065 53.034 53.050 0.082 0.000 0.973 325 N CB 0.026 38.546 38.487 0.055 0.000 1.305 325 N HN 0.142 nan 8.380 nan 0.000 0.506 326 F N 1.481 121.541 119.950 0.184 0.000 2.811 326 F HA 0.071 4.588 4.527 -0.017 0.000 0.301 326 F C 1.332 177.198 175.800 0.110 0.000 1.151 326 F CA 0.083 58.167 58.000 0.139 0.000 1.412 326 F CB 0.341 39.310 39.000 -0.051 0.000 1.113 326 F HN 0.438 nan 8.300 nan 0.000 0.579 327 D N 0.235 120.774 120.400 0.232 0.000 2.218 327 D HA -0.153 4.477 4.640 -0.017 0.000 0.204 327 D C 2.153 178.543 176.300 0.151 0.000 0.976 327 D CA 1.143 55.237 54.000 0.156 0.000 0.853 327 D CB -0.144 40.723 40.800 0.111 0.000 0.939 327 D HN 0.242 nan 8.370 nan 0.000 0.481 328 A N -0.672 122.265 122.820 0.195 0.000 2.218 328 A HA 0.089 4.399 4.320 -0.017 0.000 0.209 328 A C 1.634 179.331 177.584 0.187 0.000 1.168 328 A CA -0.220 51.930 52.037 0.189 0.000 0.804 328 A CB -0.724 18.400 19.000 0.208 0.000 0.834 328 A HN 0.211 nan 8.150 nan 0.000 0.482 329 F N 1.892 121.800 119.950 -0.070 0.000 2.065 329 F HA -0.148 4.369 4.527 -0.016 0.000 0.298 329 F C -0.757 174.936 175.800 -0.178 0.000 1.112 329 F CA 2.617 60.371 58.000 -0.410 0.000 1.212 329 F CB -0.580 38.181 39.000 -0.399 0.000 0.975 329 F HN 0.199 nan 8.300 nan 0.000 0.476 330 P HA -0.090 nan 4.420 nan 0.000 0.226 330 P C 0.684 177.947 177.300 -0.061 0.000 1.153 330 P CA 1.408 64.486 63.100 -0.037 0.000 0.777 330 P CB -0.080 31.626 31.700 0.010 0.000 0.794 331 D N -0.773 119.610 120.400 -0.030 0.000 2.317 331 D HA -0.041 4.589 4.640 -0.017 0.000 0.211 331 D C 1.545 177.828 176.300 -0.029 0.000 0.966 331 D CA 0.900 54.892 54.000 -0.014 0.000 0.876 331 D CB 0.107 40.918 40.800 0.018 0.000 0.927 331 D HN 0.142 nan 8.370 nan 0.000 0.519 332 K N -0.069 120.287 120.400 -0.073 0.000 2.391 332 K HA 0.203 4.513 4.320 -0.017 0.000 0.197 332 K C 0.042 176.550 176.600 -0.154 0.000 1.087 332 K CA 0.114 56.366 56.287 -0.059 0.000 1.012 332 K CB 2.091 34.653 32.500 0.102 0.000 0.925 332 K HN -0.058 nan 8.250 nan 0.000 0.547 333 V N 1.108 120.842 119.914 -0.301 0.000 2.638 333 V HA 0.634 4.744 4.120 -0.017 0.000 0.306 333 V C -0.992 175.020 176.094 -0.138 0.000 1.052 333 V CA -1.269 60.865 62.300 -0.278 0.000 0.885 333 V CB 1.782 33.161 31.823 -0.741 0.000 0.999 333 V HN 0.119 nan 8.190 nan 0.000 0.424 334 A N 5.596 128.380 122.820 -0.059 0.000 2.343 334 A HA 0.926 5.236 4.320 -0.017 0.000 0.316 334 A C -0.969 176.636 177.584 0.035 0.000 1.104 334 A CA -0.496 51.535 52.037 -0.011 0.000 0.768 334 A CB 0.997 19.930 19.000 -0.111 0.000 1.213 334 A HN 0.768 nan 8.150 nan 0.000 0.456 335 I N 1.805 122.438 120.570 0.106 0.000 2.382 335 I HA 0.289 4.449 4.170 -0.017 0.000 0.286 335 I C -0.283 175.915 176.117 0.136 0.000 1.002 335 I CA -0.510 60.864 61.300 0.123 0.000 1.135 335 I CB 1.927 39.984 38.000 0.095 0.000 1.288 335 I HN 0.707 nan 8.210 nan 0.000 0.448 336 Q N 6.807 126.683 119.800 0.127 0.000 2.303 336 Q HA 0.506 4.836 4.340 -0.017 0.000 0.257 336 Q C -1.328 174.666 176.000 -0.009 0.000 0.941 336 Q CA -0.225 55.677 55.803 0.164 0.000 0.931 336 Q CB 1.227 30.161 28.738 0.326 0.000 1.215 336 Q HN 0.568 nan 8.270 nan 0.000 0.437 337 L N 3.821 125.075 121.223 0.052 0.000 2.255 337 L HA 0.404 4.734 4.340 -0.017 0.000 0.289 337 L C 0.029 176.920 176.870 0.034 0.000 1.046 337 L CA -0.763 54.101 54.840 0.040 0.000 0.816 337 L CB 0.675 42.806 42.059 0.119 0.000 1.197 337 L HN 0.559 nan 8.230 nan 0.000 0.427 338 N N 4.482 123.131 118.700 -0.085 0.000 2.508 338 N HA 0.061 4.791 4.740 -0.017 0.000 0.253 338 N C -0.137 175.379 175.510 0.011 0.000 1.145 338 N CA 0.548 53.592 53.050 -0.010 0.000 0.973 338 N CB -0.127 38.259 38.487 -0.169 0.000 1.305 338 N HN 0.645 nan 8.380 nan 0.000 0.506 339 D N -0.308 120.183 120.400 0.153 0.000 4.199 339 D HA -0.222 4.408 4.640 -0.017 0.000 0.291 339 D C 0.294 176.672 176.300 0.130 0.000 2.213 339 D CA 1.518 55.583 54.000 0.108 0.000 1.174 339 D CB -0.574 40.064 40.800 -0.269 0.000 1.012 339 D HN 0.493 nan 8.370 nan 0.000 1.213 340 T N -2.408 112.150 114.554 0.006 0.000 3.129 340 T HA 0.101 4.441 4.350 -0.017 0.000 0.251 340 T C 1.584 176.336 174.700 0.087 0.000 1.117 340 T CA 1.454 63.564 62.100 0.017 0.000 1.034 340 T CB -0.514 68.343 68.868 -0.020 0.000 0.968 340 T HN 0.494 nan 8.240 nan 0.000 0.526 341 H N 2.519 121.679 119.070 0.150 0.000 2.387 341 H HA 0.024 4.570 4.556 -0.017 0.000 0.299 341 H C -0.962 174.456 175.328 0.151 0.000 1.099 341 H CA 0.812 56.961 56.048 0.168 0.000 1.315 341 H CB -0.925 28.937 29.762 0.166 0.000 1.380 341 H HN 0.443 nan 8.280 nan 0.000 0.513 342 P HA 0.094 nan 4.420 nan 0.000 0.262 342 P C 0.671 178.017 177.300 0.075 0.000 1.651 342 P CA 0.259 63.438 63.100 0.132 0.000 1.119 342 P CB 0.391 32.156 31.700 0.109 0.000 1.552 343 S N -0.375 115.365 115.700 0.067 0.000 2.440 343 S HA -0.122 4.338 4.470 -0.017 0.000 0.238 343 S C 1.693 176.297 174.600 0.007 0.000 1.010 343 S CA 0.791 58.991 58.200 0.001 0.000 0.972 343 S CB -1.424 61.756 63.200 -0.034 0.000 0.774 343 S HN 0.156 nan 8.310 nan 0.000 0.501 344 L N 0.976 122.219 121.223 0.033 0.000 2.456 344 L HA 0.047 4.377 4.340 -0.017 0.000 0.224 344 L C 2.932 179.832 176.870 0.050 0.000 1.148 344 L CA 0.624 55.481 54.840 0.029 0.000 0.825 344 L CB -0.740 41.337 42.059 0.030 0.000 0.937 344 L HN 0.463 nan 8.230 nan 0.000 0.450 345 A N 0.560 123.394 122.820 0.023 0.000 1.978 345 A HA -0.210 4.100 4.320 -0.017 0.000 0.220 345 A C 2.182 179.762 177.584 -0.007 0.000 1.170 345 A CA 1.607 53.642 52.037 -0.002 0.000 0.636 345 A CB -0.499 18.493 19.000 -0.014 0.000 0.810 345 A HN 0.388 nan 8.150 nan 0.000 0.448 346 I N 0.174 120.742 120.570 -0.005 0.000 2.133 346 I HA -0.126 4.034 4.170 -0.017 0.000 0.238 346 I C -0.349 175.781 176.117 0.022 0.000 1.074 346 I CA 1.417 62.711 61.300 -0.011 0.000 1.342 346 I CB -0.934 37.059 38.000 -0.011 0.000 1.053 346 I HN 0.239 nan 8.210 nan 0.000 0.404 347 P HA -0.160 nan 4.420 nan 0.000 0.221 347 P C 1.288 178.626 177.300 0.063 0.000 1.150 347 P CA 1.443 64.582 63.100 0.064 0.000 0.800 347 P CB 0.061 31.819 31.700 0.098 0.000 0.787 348 E N 0.301 120.593 120.200 0.153 0.000 2.051 348 E HA -0.160 4.180 4.350 -0.017 0.000 0.192 348 E C 1.934 178.525 176.600 -0.015 0.000 0.991 348 E CA 0.751 57.248 56.400 0.162 0.000 0.799 348 E CB -1.242 28.592 29.700 0.224 0.000 0.748 348 E HN -0.021 nan 8.360 nan 0.000 0.449 349 L N 0.024 121.207 121.223 -0.068 0.000 2.042 349 L HA -0.137 4.193 4.340 -0.017 0.000 0.210 349 L C 2.130 178.865 176.870 -0.226 0.000 1.076 349 L CA 1.822 56.563 54.840 -0.164 0.000 0.749 349 L CB -0.668 41.291 42.059 -0.167 0.000 0.893 349 L HN 0.252 nan 8.230 nan 0.000 0.432 350 M N -0.815 118.667 119.600 -0.197 0.000 2.080 350 M HA -0.248 4.222 4.480 -0.017 0.000 0.260 350 M C 2.429 178.577 176.300 -0.255 0.000 1.068 350 M CA 1.680 56.816 55.300 -0.274 0.000 1.109 350 M CB -1.255 31.173 32.600 -0.287 0.000 1.342 350 M HN 0.329 nan 8.290 nan 0.000 0.405 351 R N 0.067 120.446 120.500 -0.201 0.000 2.094 351 R HA -0.159 4.171 4.340 -0.017 0.000 0.239 351 R C 2.098 178.303 176.300 -0.159 0.000 1.137 351 R CA 2.018 58.002 56.100 -0.194 0.000 0.943 351 R CB -0.329 29.811 30.300 -0.267 0.000 0.850 351 R HN 0.221 nan 8.270 nan 0.000 0.433 352 V N 1.553 121.373 119.914 -0.156 0.000 2.255 352 V HA -0.291 3.819 4.120 -0.017 0.000 0.247 352 V C 2.475 178.414 176.094 -0.259 0.000 1.051 352 V CA 2.006 64.204 62.300 -0.170 0.000 1.018 352 V CB -0.493 31.226 31.823 -0.173 0.000 0.641 352 V HN 0.361 nan 8.190 nan 0.000 0.445 353 L N -0.612 120.394 121.223 -0.362 0.000 2.046 353 L HA -0.150 4.180 4.340 -0.017 0.000 0.208 353 L C 2.400 179.085 176.870 -0.307 0.000 1.077 353 L CA 1.202 55.758 54.840 -0.473 0.000 0.747 353 L CB -0.638 41.098 42.059 -0.538 0.000 0.896 353 L HN 0.217 nan 8.230 nan 0.000 0.432 354 V N -0.554 119.225 119.914 -0.227 0.000 2.273 354 V HA -0.196 3.914 4.120 -0.017 0.000 0.242 354 V C 1.930 177.980 176.094 -0.073 0.000 1.035 354 V CA 1.768 63.996 62.300 -0.120 0.000 1.013 354 V CB -0.374 31.409 31.823 -0.066 0.000 0.652 354 V HN 0.349 nan 8.190 nan 0.000 0.452 355 D N -0.312 120.042 120.400 -0.077 0.000 2.234 355 D HA 0.018 4.648 4.640 -0.017 0.000 0.205 355 D C 1.942 178.215 176.300 -0.045 0.000 0.962 355 D CA 1.037 55.010 54.000 -0.046 0.000 0.855 355 D CB 0.192 40.962 40.800 -0.049 0.000 0.951 355 D HN 0.337 nan 8.370 nan 0.000 0.500 356 L N -0.031 121.149 121.223 -0.071 0.000 2.467 356 L HA 0.144 4.474 4.340 -0.017 0.000 0.213 356 L C 1.744 178.583 176.870 -0.051 0.000 1.053 356 L CA 0.378 55.187 54.840 -0.052 0.000 0.847 356 L CB 0.304 42.332 42.059 -0.052 0.000 1.075 356 L HN -0.201 nan 8.230 nan 0.000 0.479 357 E N 0.255 120.392 120.200 -0.105 0.000 2.452 357 E HA 0.081 4.421 4.350 -0.017 0.000 0.197 357 E C 0.097 176.661 176.600 -0.060 0.000 1.022 357 E CA -0.068 56.278 56.400 -0.090 0.000 0.890 357 E CB 0.482 30.026 29.700 -0.260 0.000 0.918 357 E HN 0.173 nan 8.360 nan 0.000 0.496 358 R N -0.073 120.386 120.500 -0.067 0.000 3.776 358 R HA -0.181 4.149 4.340 -0.017 0.000 0.312 358 R C -0.220 176.064 176.300 -0.027 0.000 1.181 358 R CA 0.237 56.319 56.100 -0.029 0.000 0.836 358 R CB -2.852 27.449 30.300 0.002 0.000 1.324 358 R HN 0.115 nan 8.270 nan 0.000 0.501 359 L N 2.202 123.379 121.223 -0.078 0.000 2.467 359 L HA 0.065 4.395 4.340 -0.017 0.000 0.270 359 L C 1.543 178.404 176.870 -0.014 0.000 1.205 359 L CA 0.568 55.373 54.840 -0.059 0.000 0.828 359 L CB 0.313 42.287 42.059 -0.142 0.000 1.101 359 L HN 0.138 nan 8.230 nan 0.000 0.479 360 D N 1.186 121.602 120.400 0.028 0.000 2.357 360 D HA -0.131 4.499 4.640 -0.017 0.000 0.242 360 D C 0.875 177.244 176.300 0.116 0.000 1.153 360 D CA -0.565 53.487 54.000 0.087 0.000 0.918 360 D CB 0.749 41.606 40.800 0.094 0.000 1.181 360 D HN 0.626 nan 8.370 nan 0.000 0.435 361 W N 1.996 123.300 121.300 0.006 0.000 2.302 361 W HA -0.241 4.409 4.660 -0.017 0.000 0.320 361 W C 1.072 177.636 176.519 0.076 0.000 1.241 361 W CA 1.955 59.312 57.345 0.019 0.000 1.264 361 W CB -0.313 29.140 29.460 -0.012 0.000 1.154 361 W HN 0.474 nan 8.180 nan 0.000 0.483 362 D N 0.225 120.822 120.400 0.327 0.000 2.144 362 D HA -0.193 4.437 4.640 -0.017 0.000 0.199 362 D C 1.892 178.293 176.300 0.169 0.000 0.984 362 D CA 1.901 56.067 54.000 0.277 0.000 0.834 362 D CB -0.363 40.572 40.800 0.226 0.000 0.955 362 D HN 0.095 nan 8.370 nan 0.000 0.465 363 K N 1.118 121.575 120.400 0.095 0.000 2.062 363 K HA 0.063 4.373 4.320 -0.017 0.000 0.205 363 K C 1.833 178.421 176.600 -0.021 0.000 1.051 363 K CA 1.301 57.616 56.287 0.047 0.000 0.941 363 K CB -0.513 32.011 32.500 0.041 0.000 0.719 363 K HN -0.024 nan 8.250 nan 0.000 0.440 364 A N 0.959 123.724 122.820 -0.091 0.000 1.892 364 A HA -0.215 4.095 4.320 -0.017 0.000 0.218 364 A C 2.262 179.744 177.584 -0.170 0.000 1.188 364 A CA 1.661 53.574 52.037 -0.207 0.000 0.631 364 A CB -1.350 17.463 19.000 -0.311 0.000 0.822 364 A HN 0.702 nan 8.150 nan 0.000 0.447 365 W N 0.586 121.667 121.300 -0.366 0.000 2.335 365 W HA -0.198 4.452 4.660 -0.016 0.000 0.311 365 W C 2.058 178.513 176.519 -0.107 0.000 1.213 365 W CA 1.988 59.172 57.345 -0.269 0.000 1.274 365 W CB -0.190 29.146 29.460 -0.205 0.000 1.148 365 W HN 0.626 nan 8.180 nan 0.000 0.498 366 E N 0.034 120.221 120.200 -0.021 0.000 2.058 366 E HA -0.239 4.101 4.350 -0.017 0.000 0.194 366 E C 2.054 178.573 176.600 -0.134 0.000 0.997 366 E CA 2.042 58.397 56.400 -0.076 0.000 0.801 366 E CB -0.347 29.369 29.700 0.027 0.000 0.746 366 E HN 0.063 nan 8.360 nan 0.000 0.450 367 V N 0.652 120.501 119.914 -0.108 0.000 2.295 367 V HA -0.263 3.848 4.120 -0.017 0.000 0.246 367 V C 2.394 178.417 176.094 -0.118 0.000 1.049 367 V CA 2.197 64.450 62.300 -0.078 0.000 1.024 367 V CB -0.722 31.048 31.823 -0.088 0.000 0.648 367 V HN 0.392 nan 8.190 nan 0.000 0.447 368 T N -0.023 114.386 114.554 -0.242 0.000 2.674 368 T HA -0.177 4.164 4.350 -0.017 0.000 0.265 368 T C 1.945 176.465 174.700 -0.300 0.000 1.039 368 T CA 1.786 63.718 62.100 -0.279 0.000 1.150 368 T CB -0.278 68.361 68.868 -0.381 0.000 0.864 368 T HN 0.276 nan 8.240 nan 0.000 0.427 369 V N 1.507 121.124 119.914 -0.495 0.000 2.287 369 V HA -0.195 3.915 4.120 -0.017 0.000 0.248 369 V C 2.372 178.424 176.094 -0.071 0.000 1.053 369 V CA 1.684 63.753 62.300 -0.384 0.000 1.027 369 V CB -0.524 30.990 31.823 -0.515 0.000 0.646 369 V HN 0.471 nan 8.190 nan 0.000 0.447 370 K N -0.386 119.959 120.400 -0.091 0.000 2.280 370 K HA -0.116 4.194 4.320 -0.017 0.000 0.202 370 K C 2.108 178.698 176.600 -0.016 0.000 1.047 370 K CA 1.655 57.882 56.287 -0.099 0.000 0.942 370 K CB -0.275 32.162 32.500 -0.105 0.000 0.739 370 K HN 0.495 nan 8.250 nan 0.000 0.457 371 T N 0.258 114.849 114.554 0.062 0.000 2.894 371 T HA -0.001 4.339 4.350 -0.017 0.000 0.258 371 T C 0.978 175.789 174.700 0.184 0.000 1.043 371 T CA 0.470 62.643 62.100 0.121 0.000 1.141 371 T CB 0.063 69.035 68.868 0.173 0.000 0.873 371 T HN 0.175 nan 8.240 nan 0.000 0.449 372 C N 2.300 121.687 119.300 0.145 0.000 2.401 372 C HA 0.875 5.325 4.460 -0.017 0.000 0.365 372 C C 0.619 175.645 174.990 0.061 0.000 1.250 372 C CA -1.266 57.810 59.018 0.097 0.000 2.131 372 C CB 0.092 27.829 27.740 -0.004 0.000 2.445 372 C HN 0.600 nan 8.230 nan 0.000 0.550 373 A N 2.119 124.974 122.820 0.059 0.000 2.498 373 A HA 0.788 5.098 4.320 -0.017 0.000 0.298 373 A C -1.566 176.079 177.584 0.101 0.000 1.075 373 A CA -0.430 51.589 52.037 -0.029 0.000 0.714 373 A CB 1.082 20.073 19.000 -0.015 0.000 1.299 373 A HN 0.938 nan 8.150 nan 0.000 0.407 374 Y N 0.918 121.156 120.300 -0.103 0.000 2.391 374 Y HA 0.631 5.171 4.550 -0.016 0.000 0.341 374 Y C -0.569 175.301 175.900 -0.049 0.000 0.965 374 Y CA -0.294 57.757 58.100 -0.082 0.000 1.067 374 Y CB 2.093 40.459 38.460 -0.157 0.000 1.199 374 Y HN 0.578 nan 8.280 nan 0.000 0.450 375 T N 6.453 120.738 114.554 -0.448 0.000 2.770 375 T HA 0.200 4.540 4.350 -0.017 0.000 0.283 375 T C -0.837 173.350 174.700 -0.855 0.000 0.988 375 T CA -0.833 60.953 62.100 -0.523 0.000 0.957 375 T CB 0.529 69.331 68.868 -0.110 0.000 0.930 375 T HN 0.652 nan 8.240 nan 0.000 0.443 376 N N 1.810 120.037 118.700 -0.789 0.000 2.455 376 N HA 0.121 4.851 4.740 -0.017 0.000 0.280 376 N C 0.001 175.371 175.510 -0.234 0.000 1.055 376 N CA -0.315 52.505 53.050 -0.382 0.000 0.961 376 N CB 0.734 39.190 38.487 -0.052 0.000 1.121 376 N HN 0.669 nan 8.380 nan 0.000 0.476 377 H N 1.204 120.280 119.070 0.010 0.000 2.893 377 H HA 0.174 4.720 4.556 -0.017 0.000 0.270 377 H C -0.191 175.067 175.328 -0.115 0.000 1.095 377 H CA -0.023 55.993 56.048 -0.053 0.000 1.186 377 H CB 1.161 30.900 29.762 -0.039 0.000 1.562 377 H HN 0.493 nan 8.280 nan 0.000 0.536 378 T N 0.174 114.755 114.554 0.045 0.000 2.802 378 T HA 0.272 4.612 4.350 -0.017 0.000 0.311 378 T C 0.452 175.173 174.700 0.035 0.000 1.405 378 T CA -0.356 61.725 62.100 -0.032 0.000 1.016 378 T CB 1.426 70.273 68.868 -0.034 0.000 1.352 378 T HN -0.043 nan 8.240 nan 0.000 0.498 379 V N 0.815 120.704 119.914 -0.043 0.000 3.556 379 V HA 0.548 4.658 4.120 -0.017 0.000 0.287 379 V C 0.683 176.734 176.094 -0.071 0.000 1.422 379 V CA -0.145 62.126 62.300 -0.048 0.000 1.038 379 V CB -0.173 31.630 31.823 -0.033 0.000 0.850 379 V HN 0.656 nan 8.190 nan 0.000 0.437 380 L N 3.517 124.688 121.223 -0.086 0.000 2.433 380 L HA 0.230 4.560 4.340 -0.017 0.000 0.275 380 L C -0.599 176.263 176.870 -0.014 0.000 1.128 380 L CA -0.986 53.827 54.840 -0.045 0.000 0.875 380 L CB 1.276 43.300 42.059 -0.057 0.000 1.171 380 L HN 0.143 nan 8.230 nan 0.000 0.463 381 P HA -0.226 nan 4.420 nan 0.000 0.216 381 P C 0.995 178.292 177.300 -0.006 0.000 1.153 381 P CA 1.302 64.396 63.100 -0.010 0.000 0.858 381 P CB 0.065 31.767 31.700 0.004 0.000 0.789 382 E N 0.251 120.478 120.200 0.044 0.000 2.418 382 E HA -0.048 4.292 4.350 -0.017 0.000 0.197 382 E C 1.628 178.217 176.600 -0.020 0.000 1.026 382 E CA 1.065 57.495 56.400 0.050 0.000 0.862 382 E CB -0.731 29.105 29.700 0.226 0.000 0.799 382 E HN 0.210 nan 8.360 nan 0.000 0.518 383 A N 1.198 124.021 122.820 0.005 0.000 2.147 383 A HA 0.228 4.538 4.320 -0.017 0.000 0.211 383 A C 1.352 178.902 177.584 -0.056 0.000 1.160 383 A CA -0.287 51.759 52.037 0.015 0.000 0.781 383 A CB -0.080 18.950 19.000 0.050 0.000 0.842 383 A HN 0.156 nan 8.150 nan 0.000 0.475 384 L N 1.498 122.645 121.223 -0.126 0.000 2.416 384 L HA 0.109 4.439 4.340 -0.017 0.000 0.272 384 L C -0.070 176.455 176.870 -0.575 0.000 1.161 384 L CA -0.157 54.550 54.840 -0.220 0.000 0.845 384 L CB 0.624 42.594 42.059 -0.148 0.000 1.119 384 L HN 0.349 nan 8.230 nan 0.000 0.464 385 E N 4.262 124.042 120.200 -0.699 0.000 2.180 385 E HA 0.208 4.548 4.350 -0.017 0.000 0.283 385 E C -0.635 175.307 176.600 -1.097 0.000 1.061 385 E CA -0.165 55.378 56.400 -1.427 0.000 0.861 385 E CB 0.665 29.870 29.700 -0.824 0.000 1.056 385 E HN 0.385 nan 8.360 nan 0.000 0.407 386 R N 3.654 123.349 120.500 -1.341 0.000 2.487 386 R HA 0.188 4.518 4.340 -0.017 0.000 0.288 386 R C -1.251 174.885 176.300 -0.273 0.000 1.394 386 R CA -0.543 55.237 56.100 -0.534 0.000 1.155 386 R CB 0.724 30.839 30.300 -0.309 0.000 1.156 386 R HN 0.459 nan 8.270 nan 0.000 0.553 387 W N 4.402 125.668 121.300 -0.056 0.000 2.304 387 W HA 0.233 4.883 4.660 -0.017 0.000 0.313 387 W C -1.842 174.667 176.519 -0.015 0.000 1.323 387 W CA -2.067 55.313 57.345 0.058 0.000 1.223 387 W CB 0.572 30.037 29.460 0.009 0.000 1.237 387 W HN 0.236 nan 8.180 nan 0.000 0.535 388 P HA -0.107 nan 4.420 nan 0.000 0.262 388 P C 0.826 178.079 177.300 -0.079 0.000 1.182 388 P CA 0.257 63.352 63.100 -0.008 0.000 0.761 388 P CB 0.729 32.264 31.700 -0.275 0.000 0.795 389 V N 3.302 123.216 119.914 0.002 0.000 2.392 389 V HA -0.286 3.824 4.120 -0.017 0.000 0.249 389 V C 2.136 178.234 176.094 0.007 0.000 1.059 389 V CA 2.573 64.887 62.300 0.024 0.000 1.051 389 V CB -1.672 30.226 31.823 0.125 0.000 0.658 389 V HN 0.763 nan 8.190 nan 0.000 0.455 390 H N -1.298 117.831 119.070 0.098 0.000 2.457 390 H HA -0.072 4.474 4.556 -0.017 0.000 0.294 390 H C 2.048 177.426 175.328 0.082 0.000 1.064 390 H CA 1.557 57.658 56.048 0.088 0.000 1.330 390 H CB -0.538 29.277 29.762 0.089 0.000 1.395 390 H HN 0.353 nan 8.280 nan 0.000 0.541 391 L N 0.118 121.165 121.223 -0.294 0.000 2.027 391 L HA -0.103 4.227 4.340 -0.017 0.000 0.206 391 L C 2.302 179.119 176.870 -0.088 0.000 1.074 391 L CA 1.112 55.886 54.840 -0.111 0.000 0.745 391 L CB -0.232 41.756 42.059 -0.118 0.000 0.898 391 L HN 0.339 nan 8.230 nan 0.000 0.433 392 L N -0.723 120.427 121.223 -0.122 0.000 2.201 392 L HA -0.216 4.114 4.340 -0.017 0.000 0.212 392 L C 2.428 179.233 176.870 -0.108 0.000 1.105 392 L CA 0.947 55.691 54.840 -0.161 0.000 0.775 392 L CB -0.415 41.539 42.059 -0.175 0.000 0.913 392 L HN 0.344 nan 8.230 nan 0.000 0.440 393 E N -0.173 120.007 120.200 -0.033 0.000 2.051 393 E HA -0.190 4.150 4.350 -0.017 0.000 0.192 393 E C 1.971 178.606 176.600 0.059 0.000 0.991 393 E CA 1.868 58.280 56.400 0.020 0.000 0.799 393 E CB 0.160 29.911 29.700 0.084 0.000 0.748 393 E HN 0.400 nan 8.360 nan 0.000 0.449 394 T N 0.950 115.564 114.554 0.099 0.000 2.770 394 T HA -0.103 4.237 4.350 -0.017 0.000 0.263 394 T C 1.783 176.592 174.700 0.183 0.000 1.039 394 T CA 0.841 63.051 62.100 0.185 0.000 1.142 394 T CB -0.161 68.846 68.868 0.232 0.000 0.868 394 T HN 0.071 nan 8.240 nan 0.000 0.435 395 L N -0.085 121.145 121.223 0.012 0.000 2.095 395 L HA 0.323 4.653 4.340 -0.017 0.000 0.204 395 L C 0.467 177.277 176.870 -0.100 0.000 1.080 395 L CA 1.585 56.316 54.840 -0.181 0.000 0.759 395 L CB 0.050 41.964 42.059 -0.242 0.000 0.914 395 L HN 0.177 nan 8.230 nan 0.000 0.439 396 L N 0.504 121.631 121.223 -0.160 0.000 2.625 396 L HA 0.282 4.612 4.340 -0.017 0.000 0.255 396 L C -1.709 174.981 176.870 -0.299 0.000 1.493 396 L CA -0.967 53.695 54.840 -0.297 0.000 0.796 396 L CB 0.849 42.586 42.059 -0.538 0.000 1.064 396 L HN -0.050 nan 8.230 nan 0.000 0.516 397 P HA -0.218 nan 4.420 nan 0.000 0.215 397 P C 1.508 178.602 177.300 -0.343 0.000 1.153 397 P CA 1.284 64.257 63.100 -0.212 0.000 0.853 397 P CB 0.333 31.980 31.700 -0.087 0.000 0.788 398 R N -0.340 119.757 120.500 -0.672 0.000 2.092 398 R HA -0.163 4.167 4.340 -0.017 0.000 0.231 398 R C 2.350 178.327 176.300 -0.538 0.000 1.119 398 R CA 1.602 57.318 56.100 -0.640 0.000 0.970 398 R CB -1.289 28.477 30.300 -0.891 0.000 0.864 398 R HN 0.232 nan 8.270 nan 0.000 0.440 399 H N -0.109 118.646 119.070 -0.525 0.000 2.387 399 H HA -0.075 4.471 4.556 -0.017 0.000 0.299 399 H C 1.850 177.008 175.328 -0.283 0.000 1.090 399 H CA 1.655 57.484 56.048 -0.363 0.000 1.332 399 H CB -0.163 29.353 29.762 -0.409 0.000 1.386 399 H HN 0.105 nan 8.280 nan 0.000 0.516 400 L N 0.573 121.673 121.223 -0.204 0.000 2.042 400 L HA -0.275 4.055 4.340 -0.017 0.000 0.210 400 L C 1.967 178.645 176.870 -0.320 0.000 1.076 400 L CA 1.669 56.315 54.840 -0.323 0.000 0.749 400 L CB -0.325 41.552 42.059 -0.303 0.000 0.893 400 L HN 0.464 nan 8.230 nan 0.000 0.432 401 Q N -0.404 119.313 119.800 -0.137 0.000 2.084 401 Q HA -0.240 4.090 4.340 -0.017 0.000 0.202 401 Q C 2.170 178.193 176.000 0.038 0.000 0.978 401 Q CA 1.612 57.426 55.803 0.019 0.000 0.844 401 Q CB -0.104 28.648 28.738 0.024 0.000 0.898 401 Q HN 0.551 nan 8.270 nan 0.000 0.426 402 I N 0.344 120.915 120.570 0.001 0.000 2.315 402 I HA -0.264 3.896 4.170 -0.017 0.000 0.248 402 I C 2.101 178.303 176.117 0.142 0.000 1.117 402 I CA 0.989 62.371 61.300 0.138 0.000 1.404 402 I CB -0.071 37.961 38.000 0.053 0.000 1.071 402 I HN 0.195 nan 8.210 nan 0.000 0.419 403 I N -0.643 119.929 120.570 0.003 0.000 2.252 403 I HA -0.311 3.849 4.170 -0.017 0.000 0.245 403 I C 2.363 178.511 176.117 0.052 0.000 1.102 403 I CA 1.297 62.589 61.300 -0.013 0.000 1.385 403 I CB -0.389 37.535 38.000 -0.128 0.000 1.064 403 I HN 0.153 nan 8.210 nan 0.000 0.414 404 Y N 1.015 121.326 120.300 0.019 0.000 2.165 404 Y HA -0.295 4.245 4.550 -0.017 0.000 0.286 404 Y C 2.627 178.501 175.900 -0.043 0.000 1.155 404 Y CA 1.696 59.793 58.100 -0.006 0.000 1.164 404 Y CB -0.831 37.617 38.460 -0.020 0.000 0.978 404 Y HN 0.218 nan 8.280 nan 0.000 0.513 405 E N 0.329 120.579 120.200 0.084 0.000 2.072 405 E HA -0.144 4.196 4.350 -0.017 0.000 0.191 405 E C 2.083 178.620 176.600 -0.105 0.000 0.985 405 E CA 1.287 57.601 56.400 -0.144 0.000 0.801 405 E CB -0.564 28.885 29.700 -0.419 0.000 0.750 405 E HN 0.477 nan 8.360 nan 0.000 0.452 406 I N 0.741 121.353 120.570 0.070 0.000 2.208 406 I HA -0.296 3.864 4.170 -0.017 0.000 0.245 406 I C 2.271 178.404 176.117 0.026 0.000 1.097 406 I CA 1.393 62.685 61.300 -0.012 0.000 1.363 406 I CB -0.408 37.589 38.000 -0.006 0.000 1.051 406 I HN 0.225 nan 8.210 nan 0.000 0.413 407 N N 0.726 119.486 118.700 0.099 0.000 2.084 407 N HA -0.259 4.471 4.740 -0.017 0.000 0.190 407 N C 1.862 177.461 175.510 0.148 0.000 1.030 407 N CA 1.537 54.691 53.050 0.174 0.000 0.849 407 N CB -0.165 38.443 38.487 0.202 0.000 1.012 407 N HN 0.310 nan 8.380 nan 0.000 0.423 408 Q N 0.080 119.914 119.800 0.056 0.000 2.030 408 Q HA -0.153 4.177 4.340 -0.017 0.000 0.204 408 Q C 2.019 178.007 176.000 -0.019 0.000 0.986 408 Q CA 1.572 57.371 55.803 -0.007 0.000 0.843 408 Q CB -0.015 28.679 28.738 -0.074 0.000 0.904 408 Q HN 0.378 nan 8.270 nan 0.000 0.420 409 R N -0.714 119.755 120.500 -0.052 0.000 2.092 409 R HA -0.124 4.206 4.340 -0.017 0.000 0.231 409 R C 2.208 178.533 176.300 0.042 0.000 1.119 409 R CA 1.261 57.327 56.100 -0.057 0.000 0.970 409 R CB -0.407 29.810 30.300 -0.139 0.000 0.864 409 R HN 0.284 nan 8.270 nan 0.000 0.440 410 F N 1.634 121.557 119.950 -0.045 0.000 2.102 410 F HA -0.128 4.389 4.527 -0.017 0.000 0.298 410 F C 1.898 177.721 175.800 0.040 0.000 1.105 410 F CA 1.394 59.415 58.000 0.035 0.000 1.239 410 F CB -0.254 38.797 39.000 0.086 0.000 0.991 410 F HN -0.115 nan 8.300 nan 0.000 0.474 411 L N -0.025 121.199 121.223 0.002 0.000 2.141 411 L HA -0.234 4.096 4.340 -0.017 0.000 0.209 411 L C 1.991 178.792 176.870 -0.115 0.000 1.094 411 L CA 1.567 56.347 54.840 -0.100 0.000 0.763 411 L CB -0.888 41.180 42.059 0.015 0.000 0.908 411 L HN 0.262 nan 8.230 nan 0.000 0.437 412 N N -0.185 118.469 118.700 -0.077 0.000 2.166 412 N HA -0.179 4.551 4.740 -0.017 0.000 0.186 412 N C 1.919 177.376 175.510 -0.088 0.000 1.019 412 N CA 0.812 53.819 53.050 -0.071 0.000 0.856 412 N CB -0.026 38.427 38.487 -0.057 0.000 0.993 412 N HN 0.260 nan 8.380 nan 0.000 0.426 413 R N 0.537 120.967 120.500 -0.116 0.000 2.081 413 R HA -0.056 4.274 4.340 -0.017 0.000 0.235 413 R C 2.142 178.341 176.300 -0.168 0.000 1.131 413 R CA 0.844 56.869 56.100 -0.124 0.000 0.960 413 R CB -0.225 30.012 30.300 -0.105 0.000 0.856 413 R HN 0.080 nan 8.270 nan 0.000 0.436 414 V N 0.750 120.509 119.914 -0.257 0.000 2.307 414 V HA -0.241 3.869 4.120 -0.017 0.000 0.245 414 V C 2.415 178.500 176.094 -0.015 0.000 1.045 414 V CA 1.951 64.162 62.300 -0.150 0.000 1.024 414 V CB -0.767 30.894 31.823 -0.269 0.000 0.651 414 V HN 0.420 nan 8.190 nan 0.000 0.449 415 A N 0.220 123.008 122.820 -0.053 0.000 1.892 415 A HA -0.222 4.088 4.320 -0.017 0.000 0.218 415 A C 2.393 179.957 177.584 -0.033 0.000 1.188 415 A CA 2.477 54.500 52.037 -0.024 0.000 0.631 415 A CB -0.896 18.081 19.000 -0.038 0.000 0.822 415 A HN 0.617 nan 8.150 nan 0.000 0.447 416 A N -0.821 121.961 122.820 -0.064 0.000 2.015 416 A HA 0.267 4.577 4.320 -0.017 0.000 0.219 416 A C 2.345 179.849 177.584 -0.134 0.000 1.163 416 A CA 1.848 53.837 52.037 -0.080 0.000 0.646 416 A CB -0.654 18.303 19.000 -0.072 0.000 0.806 416 A HN 1.036 nan 8.150 nan 0.000 0.448 417 A N -1.816 120.886 122.820 -0.196 0.000 1.984 417 A HA 0.413 4.723 4.320 -0.017 0.000 0.214 417 A C 0.461 177.640 177.584 -0.675 0.000 1.173 417 A CA 0.485 52.246 52.037 -0.460 0.000 0.673 417 A CB -0.067 18.582 19.000 -0.585 0.000 0.830 417 A HN 0.407 nan 8.150 nan 0.000 0.453 418 F N 0.058 119.963 119.950 -0.076 0.000 2.584 418 F HA 0.343 4.860 4.527 -0.017 0.000 0.328 418 F C -2.783 172.981 175.800 -0.060 0.000 1.407 418 F CA -2.844 55.115 58.000 -0.068 0.000 1.145 418 F CB 0.753 39.704 39.000 -0.082 0.000 1.440 418 F HN -0.061 nan 8.300 nan 0.000 0.580 419 P HA 0.191 nan 4.420 nan 0.000 0.265 419 P C 1.033 178.354 177.300 0.034 0.000 1.193 419 P CA 1.074 64.188 63.100 0.022 0.000 0.765 419 P CB 0.912 32.608 31.700 -0.008 0.000 0.823 420 G N 2.417 111.229 108.800 0.020 0.000 2.234 420 G HA2 -0.258 3.692 3.960 -0.017 0.000 0.260 420 G HA3 -0.258 3.692 3.960 -0.017 0.000 0.260 420 G C 0.402 175.310 174.900 0.013 0.000 0.987 420 G CA 0.099 45.206 45.100 0.013 0.000 0.625 420 G HN 0.610 nan 8.290 nan 0.000 0.532 421 D N 1.573 121.989 120.400 0.026 0.000 2.545 421 D HA 0.347 4.977 4.640 -0.017 0.000 0.227 421 D C 2.127 178.413 176.300 -0.022 0.000 1.150 421 D CA 0.483 54.482 54.000 -0.001 0.000 1.046 421 D CB 0.347 41.141 40.800 -0.010 0.000 1.098 421 D HN 0.598 nan 8.370 nan 0.000 0.502 422 V N 0.725 120.628 119.914 -0.018 0.000 2.515 422 V HA -0.146 3.964 4.120 -0.017 0.000 0.250 422 V C 1.806 177.885 176.094 -0.024 0.000 1.058 422 V CA 1.470 63.759 62.300 -0.018 0.000 1.064 422 V CB -0.463 31.354 31.823 -0.011 0.000 0.675 422 V HN 0.217 nan 8.190 nan 0.000 0.461 423 D N 0.272 120.653 120.400 -0.032 0.000 2.183 423 D HA -0.140 4.490 4.640 -0.017 0.000 0.203 423 D C 2.329 178.596 176.300 -0.054 0.000 0.969 423 D CA 1.122 55.103 54.000 -0.032 0.000 0.842 423 D CB -0.169 40.613 40.800 -0.030 0.000 0.957 423 D HN 0.406 nan 8.370 nan 0.000 0.484 424 R N -0.127 120.315 120.500 -0.095 0.000 2.091 424 R HA -0.119 4.211 4.340 -0.017 0.000 0.238 424 R C 2.259 178.488 176.300 -0.117 0.000 1.136 424 R CA 1.015 57.021 56.100 -0.157 0.000 0.959 424 R CB -0.276 29.869 30.300 -0.258 0.000 0.856 424 R HN 0.254 nan 8.270 nan 0.000 0.437 425 L N 0.451 121.630 121.223 -0.074 0.000 2.013 425 L HA -0.247 4.083 4.340 -0.017 0.000 0.212 425 L C 2.705 179.577 176.870 0.004 0.000 1.073 425 L CA 2.078 56.894 54.840 -0.040 0.000 0.753 425 L CB -0.557 41.488 42.059 -0.024 0.000 0.890 425 L HN 0.315 nan 8.230 nan 0.000 0.432 426 R N 0.029 120.536 120.500 0.012 0.000 2.115 426 R HA -0.094 4.236 4.340 -0.017 0.000 0.226 426 R C 2.188 178.535 176.300 0.079 0.000 1.100 426 R CA 0.936 57.065 56.100 0.048 0.000 0.980 426 R CB -0.506 29.817 30.300 0.039 0.000 0.875 426 R HN 0.194 nan 8.270 nan 0.000 0.445 427 R N 0.166 120.694 120.500 0.046 0.000 2.115 427 R HA 0.074 4.405 4.340 -0.017 0.000 0.230 427 R C 1.949 178.318 176.300 0.116 0.000 1.111 427 R CA 1.776 57.923 56.100 0.079 0.000 0.976 427 R CB -0.171 30.136 30.300 0.011 0.000 0.870 427 R HN 0.346 nan 8.270 nan 0.000 0.445 428 M N -0.120 119.484 119.600 0.007 0.000 2.465 428 M HA 0.056 4.526 4.480 -0.017 0.000 0.249 428 M C 0.777 177.223 176.300 0.243 0.000 1.130 428 M CA -0.048 55.210 55.300 -0.070 0.000 1.067 428 M CB 0.586 33.013 32.600 -0.289 0.000 1.394 428 M HN -0.094 nan 8.290 nan 0.000 0.483 429 S N 1.127 116.984 115.700 0.261 0.000 2.558 429 S HA 0.084 4.544 4.470 -0.017 0.000 0.288 429 S C 1.157 176.010 174.600 0.422 0.000 1.318 429 S CA -0.262 58.121 58.200 0.305 0.000 1.056 429 S CB 0.570 63.894 63.200 0.206 0.000 0.853 429 S HN 0.367 nan 8.310 nan 0.000 0.505 430 L N 4.125 125.552 121.223 0.340 0.000 2.291 430 L HA 0.095 4.425 4.340 -0.017 0.000 0.214 430 L C 0.313 177.296 176.870 0.188 0.000 1.120 430 L CA 0.312 55.313 54.840 0.268 0.000 0.799 430 L CB -0.442 41.718 42.059 0.167 0.000 0.925 430 L HN 0.394 nan 8.230 nan 0.000 0.446 431 V N 0.916 120.953 119.914 0.204 0.000 2.364 431 V HA 0.163 4.273 4.120 -0.017 0.000 0.272 431 V C 0.101 176.286 176.094 0.152 0.000 1.036 431 V CA -0.575 61.834 62.300 0.181 0.000 0.880 431 V CB 1.284 33.249 31.823 0.236 0.000 0.991 431 V HN 0.174 nan 8.190 nan 0.000 0.460 432 E N 3.466 123.735 120.200 0.116 0.000 2.174 432 E HA 0.399 4.739 4.350 -0.017 0.000 0.282 432 E C -0.603 176.053 176.600 0.092 0.000 0.992 432 E CA -0.469 55.988 56.400 0.096 0.000 0.803 432 E CB 1.884 31.620 29.700 0.061 0.000 1.090 432 E HN 0.647 nan 8.360 nan 0.000 0.396 433 E N 0.761 121.010 120.200 0.083 0.000 2.322 433 E HA 0.641 4.981 4.350 -0.017 0.000 0.257 433 E C 0.187 176.826 176.600 0.066 0.000 1.155 433 E CA 0.223 56.667 56.400 0.074 0.000 0.936 433 E CB 1.386 31.123 29.700 0.061 0.000 1.130 433 E HN 0.626 nan 8.360 nan 0.000 0.465 434 G N -0.868 107.969 108.800 0.062 0.000 2.332 434 G HA2 0.265 4.215 3.960 -0.017 0.000 0.265 434 G HA3 0.265 4.215 3.960 -0.017 0.000 0.265 434 G C 0.306 175.241 174.900 0.060 0.000 1.329 434 G CA 0.014 45.148 45.100 0.057 0.000 0.949 434 G HN 0.580 nan 8.290 nan 0.000 0.476 435 A N -0.748 122.106 122.820 0.058 0.000 1.848 435 A HA 0.282 4.592 4.320 -0.017 0.000 0.217 435 A C 1.786 179.416 177.584 0.078 0.000 1.220 435 A CA 3.760 55.833 52.037 0.059 0.000 0.645 435 A CB -1.404 17.630 19.000 0.057 0.000 0.842 435 A HN 2.311 nan 8.150 nan 0.000 0.451 436 V N -2.429 117.544 119.914 0.099 0.000 2.439 436 V HA 0.478 4.588 4.120 -0.017 0.000 0.282 436 V C -0.237 175.935 176.094 0.129 0.000 1.039 436 V CA -1.314 61.070 62.300 0.141 0.000 0.913 436 V CB 1.117 33.056 31.823 0.194 0.000 0.983 436 V HN 0.349 nan 8.190 nan 0.000 0.460 437 K N 4.358 124.843 120.400 0.141 0.000 2.326 437 K HA 0.459 4.769 4.320 -0.017 0.000 0.275 437 K C -0.300 176.375 176.600 0.125 0.000 1.018 437 K CA -0.125 56.240 56.287 0.130 0.000 0.962 437 K CB 0.914 33.503 32.500 0.148 0.000 0.953 437 K HN 0.754 nan 8.250 nan 0.000 0.475 438 R N 1.556 122.117 120.500 0.102 0.000 2.837 438 R HA 0.464 4.794 4.340 -0.017 0.000 0.271 438 R C -0.552 175.789 176.300 0.069 0.000 0.993 438 R CA -1.024 55.124 56.100 0.081 0.000 0.931 438 R CB 1.303 31.632 30.300 0.049 0.000 1.206 438 R HN 0.367 nan 8.270 nan 0.000 0.474 439 I N 1.977 122.583 120.570 0.061 0.000 2.331 439 I HA 0.143 4.303 4.170 -0.017 0.000 0.292 439 I C -0.049 176.054 176.117 -0.023 0.000 0.998 439 I CA -0.669 60.654 61.300 0.038 0.000 1.267 439 I CB 1.024 39.048 38.000 0.041 0.000 1.386 439 I HN 0.487 nan 8.210 nan 0.000 0.476 440 N N 7.124 125.785 118.700 -0.064 0.000 2.415 440 N HA 0.114 4.844 4.740 -0.017 0.000 0.246 440 N C 0.757 176.169 175.510 -0.165 0.000 1.078 440 N CA -0.332 52.596 53.050 -0.202 0.000 0.942 440 N CB 0.983 39.203 38.487 -0.445 0.000 1.140 440 N HN 0.372 nan 8.380 nan 0.000 0.501 441 M N 2.306 121.809 119.600 -0.163 0.000 2.254 441 M HA -0.031 4.439 4.480 -0.017 0.000 0.265 441 M C 1.935 178.097 176.300 -0.230 0.000 1.066 441 M CA 0.661 55.885 55.300 -0.126 0.000 1.123 441 M CB -1.537 31.036 32.600 -0.046 0.000 1.388 441 M HN 0.593 nan 8.290 nan 0.000 0.425 442 A N -0.252 122.423 122.820 -0.242 0.000 1.902 442 A HA -0.185 4.125 4.320 -0.017 0.000 0.217 442 A C 1.988 179.335 177.584 -0.395 0.000 1.181 442 A CA 1.580 53.425 52.037 -0.321 0.000 0.623 442 A CB -1.179 17.829 19.000 0.014 0.000 0.818 442 A HN 0.602 nan 8.150 nan 0.000 0.443 443 H N -1.110 117.752 119.070 -0.347 0.000 2.357 443 H HA -0.029 4.517 4.556 -0.017 0.000 0.301 443 H C 2.137 177.236 175.328 -0.381 0.000 1.082 443 H CA 0.934 56.746 56.048 -0.394 0.000 1.342 443 H CB -0.069 29.675 29.762 -0.030 0.000 1.389 443 H HN 0.382 nan 8.280 nan 0.000 0.511 444 L N 0.424 121.562 121.223 -0.141 0.000 2.012 444 L HA -0.242 4.088 4.340 -0.017 0.000 0.210 444 L C 2.290 179.013 176.870 -0.246 0.000 1.073 444 L CA 1.351 56.102 54.840 -0.148 0.000 0.748 444 L CB -0.406 41.598 42.059 -0.092 0.000 0.891 444 L HN 0.451 nan 8.230 nan 0.000 0.431 445 C N 0.047 119.097 119.300 -0.417 0.000 2.413 445 C HA -0.188 4.262 4.460 -0.017 0.000 0.276 445 C C 2.650 177.343 174.990 -0.495 0.000 1.248 445 C CA 0.727 59.408 59.018 -0.562 0.000 1.742 445 C CB -0.798 26.226 27.740 -1.193 0.000 2.017 445 C HN 0.522 nan 8.230 nan 0.000 0.481 446 I N 1.446 121.663 120.570 -0.588 0.000 2.179 446 I HA -0.199 3.961 4.170 -0.017 0.000 0.242 446 I C 2.763 178.703 176.117 -0.295 0.000 1.088 446 I CA 1.627 62.635 61.300 -0.487 0.000 1.357 446 I CB -0.597 36.959 38.000 -0.739 0.000 1.051 446 I HN 0.267 nan 8.210 nan 0.000 0.409 447 A N 0.610 123.231 122.820 -0.331 0.000 1.908 447 A HA -0.139 4.171 4.320 -0.017 0.000 0.218 447 A C 2.211 179.829 177.584 0.056 0.000 1.181 447 A CA 2.015 53.914 52.037 -0.229 0.000 0.627 447 A CB -1.233 17.470 19.000 -0.496 0.000 0.818 447 A HN 0.489 nan 8.150 nan 0.000 0.445 448 G N -1.263 107.509 108.800 -0.048 0.000 3.284 448 G HA2 0.426 4.376 3.960 -0.017 0.000 0.236 448 G HA3 0.426 4.376 3.960 -0.017 0.000 0.236 448 G C 0.066 174.800 174.900 -0.275 0.000 1.158 448 G CA 0.493 45.458 45.100 -0.226 0.000 0.774 448 G HN 0.347 nan 8.290 nan 0.000 0.545 449 S N -0.327 115.260 115.700 -0.188 0.000 2.536 449 S HA 0.323 4.783 4.470 -0.017 0.000 0.298 449 S C 0.774 175.312 174.600 -0.104 0.000 1.083 449 S CA -0.715 57.397 58.200 -0.148 0.000 0.995 449 S CB 1.285 64.398 63.200 -0.146 0.000 1.058 449 S HN 0.501 nan 8.310 nan 0.000 0.488 450 H N -0.013 119.020 119.070 -0.063 0.000 2.548 450 H HA 0.466 5.012 4.556 -0.017 0.000 0.268 450 H C 0.197 175.514 175.328 -0.019 0.000 0.975 450 H CA 0.345 56.384 56.048 -0.014 0.000 1.195 450 H CB 0.131 29.901 29.762 0.014 0.000 1.397 450 H HN 0.508 nan 8.280 nan 0.000 0.572 451 A N 0.959 123.476 122.820 -0.504 0.000 2.486 451 A HA 0.571 4.881 4.320 -0.017 0.000 0.300 451 A C -1.383 176.006 177.584 -0.325 0.000 1.048 451 A CA -0.587 51.221 52.037 -0.383 0.000 0.696 451 A CB 2.348 21.103 19.000 -0.408 0.000 1.278 451 A HN 0.096 nan 8.150 nan 0.000 0.405 452 V N 4.003 123.695 119.914 -0.370 0.000 2.525 452 V HA 0.502 4.612 4.120 -0.017 0.000 0.299 452 V C -0.854 175.062 176.094 -0.297 0.000 1.034 452 V CA -0.800 61.277 62.300 -0.372 0.000 0.863 452 V CB 1.778 33.217 31.823 -0.640 0.000 0.999 452 V HN 1.015 nan 8.190 nan 0.000 0.423 453 N N 3.226 121.775 118.700 -0.251 0.000 2.240 453 N HA 0.634 5.364 4.740 -0.017 0.000 0.302 453 N C -0.226 175.186 175.510 -0.164 0.000 1.106 453 N CA -0.350 52.590 53.050 -0.183 0.000 0.778 453 N CB 2.920 41.279 38.487 -0.213 0.000 1.431 453 N HN 0.628 nan 8.380 nan 0.000 0.479 454 G N -0.769 107.969 108.800 -0.104 0.000 2.557 454 G HA2 0.439 4.389 3.960 -0.017 0.000 0.302 454 G HA3 0.439 4.389 3.960 -0.017 0.000 0.302 454 G C 0.671 175.628 174.900 0.095 0.000 1.311 454 G CA -0.437 44.653 45.100 -0.016 0.000 1.030 454 G HN 0.651 nan 8.290 nan 0.000 0.509 455 V N -4.046 116.045 119.914 0.294 0.000 3.380 455 V HA 0.710 4.820 4.120 -0.017 0.000 0.307 455 V C 0.506 176.685 176.094 0.142 0.000 1.434 455 V CA 0.432 62.823 62.300 0.151 0.000 1.075 455 V CB -0.664 31.198 31.823 0.066 0.000 0.954 455 V HN 1.366 nan 8.190 nan 0.000 0.444 456 A N 0.080 122.996 122.820 0.160 0.000 2.601 456 A HA 0.658 4.968 4.320 -0.017 0.000 0.291 456 A C 0.679 178.315 177.584 0.086 0.000 1.075 456 A CA -0.075 52.031 52.037 0.114 0.000 0.671 456 A CB 1.150 20.207 19.000 0.095 0.000 1.277 456 A HN 0.012 nan 8.150 nan 0.000 0.417 457 R N 0.412 120.943 120.500 0.052 0.000 2.091 457 R HA -0.115 4.215 4.340 -0.017 0.000 0.238 457 R C 1.580 177.880 176.300 0.001 0.000 1.136 457 R CA 2.175 58.283 56.100 0.013 0.000 0.959 457 R CB -0.204 30.099 30.300 0.005 0.000 0.856 457 R HN 0.799 nan 8.270 nan 0.000 0.437 458 I N 0.332 120.912 120.570 0.017 0.000 2.439 458 I HA -0.256 3.904 4.170 -0.017 0.000 0.251 458 I C 2.301 178.430 176.117 0.020 0.000 1.139 458 I CA 1.559 62.861 61.300 0.003 0.000 1.438 458 I CB -0.198 37.803 38.000 0.001 0.000 1.085 458 I HN 0.320 nan 8.210 nan 0.000 0.427 459 H N 0.253 119.299 119.070 -0.040 0.000 2.326 459 H HA -0.119 4.427 4.556 -0.017 0.000 0.301 459 H C 2.250 177.553 175.328 -0.042 0.000 1.081 459 H CA 2.188 58.208 56.048 -0.045 0.000 1.334 459 H CB -0.238 29.501 29.762 -0.038 0.000 1.385 459 H HN 0.230 nan 8.280 nan 0.000 0.504 460 S N 0.369 115.949 115.700 -0.199 0.000 2.368 460 S HA -0.127 4.333 4.470 -0.017 0.000 0.225 460 S C 1.917 176.404 174.600 -0.189 0.000 1.030 460 S CA 1.214 59.280 58.200 -0.223 0.000 0.999 460 S CB -0.078 63.062 63.200 -0.101 0.000 0.844 460 S HN 0.493 nan 8.310 nan 0.000 0.459 461 E N 1.204 121.315 120.200 -0.147 0.000 2.051 461 E HA -0.050 4.290 4.350 -0.017 0.000 0.192 461 E C 2.048 178.541 176.600 -0.178 0.000 0.991 461 E CA 0.743 57.046 56.400 -0.162 0.000 0.799 461 E CB -0.443 29.191 29.700 -0.110 0.000 0.748 461 E HN 0.507 nan 8.360 nan 0.000 0.449 462 I N 1.092 121.575 120.570 -0.146 0.000 2.264 462 I HA -0.286 3.874 4.170 -0.017 0.000 0.248 462 I C 2.436 178.443 176.117 -0.183 0.000 1.111 462 I CA 0.826 62.044 61.300 -0.136 0.000 1.382 462 I CB -0.253 37.700 38.000 -0.079 0.000 1.060 462 I HN 0.066 nan 8.210 nan 0.000 0.418 463 L N 0.351 121.436 121.223 -0.231 0.000 2.046 463 L HA -0.228 4.102 4.340 -0.017 0.000 0.208 463 L C 2.455 179.232 176.870 -0.154 0.000 1.077 463 L CA 1.586 56.319 54.840 -0.179 0.000 0.747 463 L CB -0.559 41.471 42.059 -0.049 0.000 0.896 463 L HN 0.218 nan 8.230 nan 0.000 0.432 464 K N -0.343 119.881 120.400 -0.294 0.000 2.296 464 K HA -0.094 4.216 4.320 -0.017 0.000 0.200 464 K C 1.976 178.359 176.600 -0.363 0.000 1.048 464 K CA 0.751 56.702 56.287 -0.560 0.000 0.966 464 K CB 0.135 32.056 32.500 -0.966 0.000 0.754 464 K HN 0.258 nan 8.250 nan 0.000 0.466 465 K N -0.160 120.100 120.400 -0.233 0.000 2.276 465 K HA -0.008 4.302 4.320 -0.017 0.000 0.198 465 K C 1.921 178.466 176.600 -0.091 0.000 1.052 465 K CA 1.291 57.493 56.287 -0.141 0.000 0.984 465 K CB 0.625 33.051 32.500 -0.123 0.000 0.836 465 K HN 0.218 nan 8.250 nan 0.000 0.490 466 T N -1.310 113.182 114.554 -0.104 0.000 3.478 466 T HA 0.052 4.392 4.350 -0.017 0.000 0.223 466 T C 1.969 176.618 174.700 -0.085 0.000 0.958 466 T CA 0.069 62.119 62.100 -0.082 0.000 1.324 466 T CB -0.740 68.077 68.868 -0.086 0.000 1.262 466 T HN 0.138 nan 8.240 nan 0.000 0.379 467 I N -1.038 119.423 120.570 -0.183 0.000 2.315 467 I HA 0.265 4.425 4.170 -0.017 0.000 0.248 467 I C 1.226 177.233 176.117 -0.184 0.000 1.117 467 I CA 1.228 62.360 61.300 -0.280 0.000 1.404 467 I CB -0.420 37.276 38.000 -0.507 0.000 1.071 467 I HN 0.240 nan 8.210 nan 0.000 0.419 468 F N 0.950 120.983 119.950 0.138 0.000 2.772 468 F HA 0.357 4.874 4.527 -0.017 0.000 0.302 468 F C 1.906 177.815 175.800 0.180 0.000 1.136 468 F CA -0.625 57.541 58.000 0.277 0.000 1.322 468 F CB 0.147 39.331 39.000 0.306 0.000 0.967 468 F HN -0.075 nan 8.300 nan 0.000 0.513 469 K N 1.014 121.529 120.400 0.193 0.000 2.044 469 K HA -0.221 4.089 4.320 -0.017 0.000 0.210 469 K C 1.346 178.001 176.600 0.092 0.000 1.049 469 K CA 2.213 58.552 56.287 0.087 0.000 0.927 469 K CB -0.017 32.496 32.500 0.023 0.000 0.713 469 K HN 0.186 nan 8.250 nan 0.000 0.443 470 D N -0.215 120.210 120.400 0.041 0.000 2.149 470 D HA -0.168 4.462 4.640 -0.017 0.000 0.198 470 D C 1.794 177.999 176.300 -0.160 0.000 0.990 470 D CA 1.258 55.152 54.000 -0.176 0.000 0.839 470 D CB -0.261 40.330 40.800 -0.350 0.000 0.948 470 D HN 0.260 nan 8.370 nan 0.000 0.460 471 F N -0.353 119.684 119.950 0.144 0.000 2.234 471 F HA -0.097 4.420 4.527 -0.017 0.000 0.296 471 F C 2.314 178.263 175.800 0.248 0.000 1.089 471 F CA 0.306 58.467 58.000 0.268 0.000 1.343 471 F CB -0.655 38.579 39.000 0.390 0.000 1.040 471 F HN -0.065 nan 8.300 nan 0.000 0.498 472 Y N 1.508 121.777 120.300 -0.051 0.000 2.165 472 Y HA -0.226 4.314 4.550 -0.017 0.000 0.286 472 Y C 2.149 178.025 175.900 -0.041 0.000 1.155 472 Y CA 1.714 59.586 58.100 -0.380 0.000 1.164 472 Y CB -0.603 37.457 38.460 -0.666 0.000 0.978 472 Y HN 0.133 nan 8.280 nan 0.000 0.513 473 E N -0.427 119.727 120.200 -0.076 0.000 2.077 473 E HA -0.214 4.126 4.350 -0.017 0.000 0.193 473 E C 2.049 178.716 176.600 0.112 0.000 0.989 473 E CA 1.276 57.651 56.400 -0.041 0.000 0.800 473 E CB -0.334 29.379 29.700 0.022 0.000 0.746 473 E HN 0.428 nan 8.360 nan 0.000 0.452 474 L N 1.012 122.346 121.223 0.185 0.000 2.056 474 L HA -0.090 4.240 4.340 -0.017 0.000 0.207 474 L C 0.264 177.219 176.870 0.142 0.000 1.078 474 L CA 1.726 56.705 54.840 0.232 0.000 0.749 474 L CB 0.297 42.497 42.059 0.235 0.000 0.901 474 L HN -0.068 nan 8.230 nan 0.000 0.433 475 E N -0.369 119.908 120.200 0.128 0.000 3.386 475 E HA 0.178 4.518 4.350 -0.017 0.000 0.236 475 E C -2.022 174.530 176.600 -0.079 0.000 1.227 475 E CA -1.207 55.187 56.400 -0.010 0.000 0.970 475 E CB 0.741 30.415 29.700 -0.042 0.000 1.343 475 E HN 0.196 nan 8.360 nan 0.000 0.397 476 P HA -0.244 nan 4.420 nan 0.000 0.219 476 P C 1.215 178.619 177.300 0.174 0.000 1.146 476 P CA 1.350 64.341 63.100 -0.181 0.000 0.808 476 P CB -0.075 31.392 31.700 -0.390 0.000 0.779 477 H N 0.225 119.399 119.070 0.172 0.000 2.489 477 H HA 0.041 4.587 4.556 -0.017 0.000 0.293 477 H C 1.487 176.914 175.328 0.166 0.000 1.066 477 H CA 0.854 56.995 56.048 0.156 0.000 1.305 477 H CB -0.675 29.149 29.762 0.102 0.000 1.386 477 H HN 0.154 nan 8.280 nan 0.000 0.551 478 K N 0.292 120.624 120.400 -0.113 0.000 2.217 478 K HA 0.025 4.335 4.320 -0.017 0.000 0.202 478 K C -0.096 176.397 176.600 -0.178 0.000 1.051 478 K CA 0.311 56.502 56.287 -0.160 0.000 0.952 478 K CB 0.073 32.351 32.500 -0.370 0.000 0.736 478 K HN 0.106 nan 8.250 nan 0.000 0.453 479 F N 1.804 121.792 119.950 0.064 0.000 2.424 479 F HA 0.162 4.679 4.527 -0.017 0.000 0.356 479 F C 0.503 176.316 175.800 0.021 0.000 1.110 479 F CA -0.149 57.891 58.000 0.066 0.000 1.161 479 F CB 0.912 40.012 39.000 0.167 0.000 1.115 479 F HN -0.095 nan 8.300 nan 0.000 0.507 480 Q N 1.909 121.749 119.800 0.065 0.000 2.528 480 Q HA 0.348 4.678 4.340 -0.017 0.000 0.289 480 Q C -1.162 174.804 176.000 -0.055 0.000 1.091 480 Q CA -1.253 54.539 55.803 -0.017 0.000 0.797 480 Q CB 3.145 31.819 28.738 -0.106 0.000 1.466 480 Q HN 0.614 nan 8.270 nan 0.000 0.436 481 N N 0.750 119.399 118.700 -0.085 0.000 2.314 481 N HA 0.279 5.009 4.740 -0.017 0.000 0.304 481 N C -1.441 173.973 175.510 -0.160 0.000 1.073 481 N CA -0.389 52.605 53.050 -0.093 0.000 0.822 481 N CB 1.058 39.511 38.487 -0.056 0.000 1.280 481 N HN 0.282 nan 8.380 nan 0.000 0.489 482 K N 2.659 122.967 120.400 -0.155 0.000 2.705 482 K HA 0.191 4.501 4.320 -0.017 0.000 0.238 482 K C -0.998 175.605 176.600 0.005 0.000 0.996 482 K CA -0.492 55.674 56.287 -0.201 0.000 1.007 482 K CB 1.315 33.463 32.500 -0.585 0.000 1.206 482 K HN 0.541 nan 8.250 nan 0.000 0.488 483 T N 2.098 116.676 114.554 0.040 0.000 2.888 483 T HA 0.084 4.424 4.350 -0.017 0.000 0.301 483 T C 0.751 175.579 174.700 0.213 0.000 1.001 483 T CA 0.204 62.380 62.100 0.126 0.000 1.147 483 T CB 0.309 69.254 68.868 0.128 0.000 0.931 483 T HN 0.358 nan 8.240 nan 0.000 0.541 484 N N 0.626 119.475 118.700 0.247 0.000 2.307 484 N HA 0.384 5.114 4.740 -0.017 0.000 0.230 484 N C 0.471 176.171 175.510 0.317 0.000 1.297 484 N CA -0.123 53.107 53.050 0.300 0.000 0.884 484 N CB 0.388 38.989 38.487 0.189 0.000 1.115 484 N HN 0.759 nan 8.380 nan 0.000 0.436 485 G N -0.539 108.461 108.800 0.333 0.000 2.708 485 G HA2 0.628 4.578 3.960 -0.017 0.000 0.289 485 G HA3 0.628 4.578 3.960 -0.017 0.000 0.289 485 G C -1.326 173.711 174.900 0.227 0.000 1.416 485 G CA -0.743 44.533 45.100 0.294 0.000 0.829 485 G HN 0.603 nan 8.290 nan 0.000 0.480 486 I N -2.414 118.272 120.570 0.193 0.000 2.828 486 I HA 0.740 4.900 4.170 -0.017 0.000 0.302 486 I C -0.230 176.040 176.117 0.255 0.000 1.101 486 I CA -0.924 60.484 61.300 0.179 0.000 1.031 486 I CB 2.464 40.460 38.000 -0.006 0.000 1.231 486 I HN 0.477 nan 8.210 nan 0.000 0.427 487 T N 4.382 119.137 114.554 0.336 0.000 2.779 487 T HA 0.341 4.681 4.350 -0.017 0.000 0.296 487 T C -1.448 173.368 174.700 0.194 0.000 0.938 487 T CA -1.521 60.705 62.100 0.209 0.000 1.119 487 T CB 0.690 69.627 68.868 0.116 0.000 0.891 487 T HN 0.626 nan 8.240 nan 0.000 0.526 488 P HA 0.063 nan 4.420 nan 0.000 0.237 488 P C 1.055 178.321 177.300 -0.057 0.000 1.178 488 P CA 0.281 63.417 63.100 0.060 0.000 0.766 488 P CB 0.346 32.068 31.700 0.036 0.000 0.876 489 R N 0.427 120.848 120.500 -0.132 0.000 2.056 489 R HA 0.012 4.342 4.340 -0.017 0.000 0.227 489 R C 2.657 178.837 176.300 -0.198 0.000 1.149 489 R CA 1.510 57.487 56.100 -0.203 0.000 0.937 489 R CB -1.246 28.928 30.300 -0.210 0.000 0.835 489 R HN 0.036 nan 8.270 nan 0.000 0.430 490 R N -0.769 119.561 120.500 -0.285 0.000 2.081 490 R HA -0.137 4.193 4.340 -0.017 0.000 0.235 490 R C 1.053 177.019 176.300 -0.557 0.000 1.131 490 R CA 1.784 57.556 56.100 -0.547 0.000 0.960 490 R CB -0.179 29.585 30.300 -0.893 0.000 0.856 490 R HN 0.309 nan 8.270 nan 0.000 0.436 491 W N -0.552 120.703 121.300 -0.075 0.000 3.388 491 W HA 0.173 4.823 4.660 -0.018 0.000 0.324 491 W C 0.915 177.402 176.519 -0.053 0.000 1.250 491 W CA -0.719 56.581 57.345 -0.075 0.000 1.809 491 W CB 0.465 29.884 29.460 -0.068 0.000 1.083 491 W HN 0.217 nan 8.180 nan 0.000 0.685 492 L N -2.256 119.023 121.223 0.093 0.000 2.681 492 L HA 0.188 4.518 4.340 -0.017 0.000 0.163 492 L C 1.804 178.689 176.870 0.024 0.000 1.188 492 L CA 0.757 55.645 54.840 0.080 0.000 0.944 492 L CB -0.851 41.281 42.059 0.122 0.000 1.835 492 L HN -0.255 nan 8.230 nan 0.000 0.510 493 V N 1.073 120.978 119.914 -0.016 0.000 2.287 493 V HA -0.288 3.822 4.120 -0.017 0.000 0.248 493 V C 2.433 178.497 176.094 -0.050 0.000 1.053 493 V CA 2.541 64.820 62.300 -0.034 0.000 1.027 493 V CB -0.653 31.118 31.823 -0.087 0.000 0.646 493 V HN 0.510 nan 8.190 nan 0.000 0.447 494 L N 0.419 121.583 121.223 -0.099 0.000 2.023 494 L HA -0.174 4.156 4.340 -0.017 0.000 0.205 494 L C 2.492 179.297 176.870 -0.108 0.000 1.073 494 L CA 2.367 57.133 54.840 -0.123 0.000 0.745 494 L CB -0.273 41.663 42.059 -0.205 0.000 0.900 494 L HN 0.649 nan 8.230 nan 0.000 0.435 495 C N -1.671 117.559 119.300 -0.116 0.000 2.563 495 C HA 0.203 4.653 4.460 -0.017 0.000 0.268 495 C C 1.146 176.120 174.990 -0.027 0.000 1.365 495 C CA -0.310 58.658 59.018 -0.083 0.000 1.754 495 C CB -1.047 26.643 27.740 -0.083 0.000 1.932 495 C HN 0.595 nan 8.230 nan 0.000 0.536 496 N N 1.160 119.856 118.700 -0.008 0.000 2.733 496 N HA 0.293 5.023 4.740 -0.017 0.000 0.271 496 N C -1.857 173.665 175.510 0.020 0.000 1.720 496 N CA -1.575 51.483 53.050 0.012 0.000 0.803 496 N CB 0.909 39.412 38.487 0.027 0.000 1.208 496 N HN 0.218 nan 8.380 nan 0.000 0.498 497 P HA -0.026 nan 4.420 nan 0.000 0.217 497 P C 1.417 178.734 177.300 0.028 0.000 1.150 497 P CA 0.908 64.019 63.100 0.018 0.000 0.832 497 P CB 0.227 31.931 31.700 0.006 0.000 0.787 498 G N 0.668 109.480 108.800 0.020 0.000 2.440 498 G HA2 -0.259 3.691 3.960 -0.017 0.000 0.218 498 G HA3 -0.259 3.691 3.960 -0.017 0.000 0.218 498 G C 1.530 176.442 174.900 0.021 0.000 1.154 498 G CA 0.774 45.884 45.100 0.017 0.000 0.767 498 G HN 0.255 nan 8.290 nan 0.000 0.552 499 L N 1.199 122.436 121.223 0.023 0.000 2.072 499 L HA 0.281 4.611 4.340 -0.017 0.000 0.205 499 L C 3.056 179.963 176.870 0.061 0.000 1.079 499 L CA 1.968 56.823 54.840 0.025 0.000 0.752 499 L CB -0.727 41.345 42.059 0.022 0.000 0.906 499 L HN 0.227 nan 8.230 nan 0.000 0.436 500 A N -0.693 122.181 122.820 0.090 0.000 1.908 500 A HA -0.255 4.055 4.320 -0.017 0.000 0.218 500 A C 2.249 179.931 177.584 0.164 0.000 1.181 500 A CA 1.810 53.950 52.037 0.172 0.000 0.627 500 A CB -0.692 18.398 19.000 0.150 0.000 0.818 500 A HN 0.535 nan 8.150 nan 0.000 0.445 501 E N 0.635 120.893 120.200 0.097 0.000 2.047 501 E HA -0.172 4.168 4.350 -0.017 0.000 0.191 501 E C 1.823 178.467 176.600 0.073 0.000 0.987 501 E CA 1.631 58.078 56.400 0.078 0.000 0.799 501 E CB -0.551 29.178 29.700 0.047 0.000 0.752 501 E HN 0.747 nan 8.360 nan 0.000 0.449 502 I N -1.746 118.864 120.570 0.066 0.000 2.361 502 I HA -0.145 4.015 4.170 -0.017 0.000 0.251 502 I C 2.101 178.295 176.117 0.128 0.000 1.133 502 I CA 1.210 62.565 61.300 0.090 0.000 1.413 502 I CB -0.307 37.732 38.000 0.066 0.000 1.073 502 I HN 0.023 nan 8.210 nan 0.000 0.424 503 I N 1.789 122.407 120.570 0.081 0.000 2.286 503 I HA -0.138 4.022 4.170 -0.017 0.000 0.245 503 I C 2.978 179.043 176.117 -0.087 0.000 1.104 503 I CA 1.210 62.475 61.300 -0.058 0.000 1.397 503 I CB -0.513 37.341 38.000 -0.244 0.000 1.072 503 I HN 0.288 nan 8.210 nan 0.000 0.417 504 A N 0.534 123.401 122.820 0.079 0.000 1.940 504 A HA -0.245 4.065 4.320 -0.017 0.000 0.219 504 A C 2.184 179.798 177.584 0.051 0.000 1.176 504 A CA 1.764 53.896 52.037 0.159 0.000 0.631 504 A CB -0.627 18.492 19.000 0.198 0.000 0.814 504 A HN 0.450 nan 8.150 nan 0.000 0.446 505 E N -0.618 119.595 120.200 0.021 0.000 2.118 505 E HA -0.214 4.126 4.350 -0.017 0.000 0.195 505 E C 2.309 178.879 176.600 -0.049 0.000 0.992 505 E CA 1.340 57.740 56.400 -0.000 0.000 0.804 505 E CB -0.100 29.607 29.700 0.012 0.000 0.741 505 E HN 0.533 nan 8.360 nan 0.000 0.458 506 R N 0.235 120.645 120.500 -0.150 0.000 2.090 506 R HA 0.052 4.382 4.340 -0.017 0.000 0.219 506 R C 2.364 178.566 176.300 -0.164 0.000 1.100 506 R CA 0.970 56.910 56.100 -0.266 0.000 0.991 506 R CB -0.293 29.534 30.300 -0.788 0.000 0.893 506 R HN 0.335 nan 8.270 nan 0.000 0.443 507 I N -2.747 117.735 120.570 -0.148 0.000 4.082 507 I HA 0.422 4.582 4.170 -0.017 0.000 0.337 507 I C 0.453 176.595 176.117 0.043 0.000 1.352 507 I CA 0.065 61.332 61.300 -0.056 0.000 1.097 507 I CB 0.764 38.703 38.000 -0.102 0.000 1.048 507 I HN 0.181 nan 8.210 nan 0.000 0.393 508 G N 2.022 110.861 108.800 0.065 0.000 2.725 508 G HA2 -0.234 3.716 3.960 -0.017 0.000 0.220 508 G HA3 -0.234 3.716 3.960 -0.017 0.000 0.220 508 G C -0.016 175.010 174.900 0.210 0.000 1.357 508 G CA 0.228 45.391 45.100 0.106 0.000 0.866 508 G HN 0.450 nan 8.290 nan 0.000 0.548 509 E N -0.353 119.922 120.200 0.126 0.000 2.476 509 E HA 0.081 4.421 4.350 -0.017 0.000 0.199 509 E C 1.957 178.505 176.600 -0.087 0.000 1.021 509 E CA 0.050 56.466 56.400 0.028 0.000 0.907 509 E CB 0.188 29.894 29.700 0.011 0.000 0.974 509 E HN 0.515 nan 8.360 nan 0.000 0.489 510 E N 0.359 120.581 120.200 0.038 0.000 2.265 510 E HA -0.184 4.156 4.350 -0.017 0.000 0.196 510 E C 1.687 178.285 176.600 -0.002 0.000 0.996 510 E CA 0.864 57.278 56.400 0.025 0.000 0.832 510 E CB 0.003 29.741 29.700 0.062 0.000 0.756 510 E HN 0.518 nan 8.360 nan 0.000 0.491 511 Y N -1.032 119.271 120.300 0.005 0.000 2.352 511 Y HA -0.020 4.521 4.550 -0.015 0.000 0.292 511 Y C 1.940 177.818 175.900 -0.036 0.000 1.136 511 Y CA 0.446 58.540 58.100 -0.009 0.000 1.227 511 Y CB -0.735 37.719 38.460 -0.008 0.000 0.991 511 Y HN -0.106 nan 8.280 nan 0.000 0.545 512 I N 1.027 121.124 120.570 -0.788 0.000 2.335 512 I HA -0.263 3.897 4.170 -0.017 0.000 0.251 512 I C 1.643 177.509 176.117 -0.418 0.000 1.129 512 I CA 1.954 62.846 61.300 -0.680 0.000 1.402 512 I CB -0.373 37.156 38.000 -0.786 0.000 1.069 512 I HN 0.496 nan 8.210 nan 0.000 0.424 513 S N -2.139 113.421 115.700 -0.232 0.000 2.754 513 S HA 0.200 4.660 4.470 -0.017 0.000 0.247 513 S C 0.044 174.631 174.600 -0.022 0.000 1.031 513 S CA -0.536 57.604 58.200 -0.100 0.000 1.014 513 S CB 0.342 63.558 63.200 0.027 0.000 0.918 513 S HN 0.281 nan 8.310 nan 0.000 0.519 514 D N 0.736 121.130 120.400 -0.009 0.000 2.934 514 D HA 0.233 4.863 4.640 -0.017 0.000 0.249 514 D C 0.308 176.648 176.300 0.067 0.000 1.293 514 D CA -0.384 53.633 54.000 0.029 0.000 0.812 514 D CB 0.503 41.325 40.800 0.037 0.000 1.439 514 D HN 0.116 nan 8.370 nan 0.000 0.555 515 L N 1.403 122.665 121.223 0.065 0.000 2.275 515 L HA 0.010 4.340 4.340 -0.017 0.000 0.215 515 L C 1.461 178.381 176.870 0.084 0.000 1.119 515 L CA 1.512 56.420 54.840 0.112 0.000 0.790 515 L CB -0.089 42.030 42.059 0.100 0.000 0.919 515 L HN 0.284 nan 8.230 nan 0.000 0.443 516 D N -0.618 119.807 120.400 0.043 0.000 2.228 516 D HA -0.244 4.386 4.640 -0.017 0.000 0.203 516 D C 1.944 178.263 176.300 0.030 0.000 0.988 516 D CA 0.989 55.001 54.000 0.019 0.000 0.864 516 D CB 0.019 40.819 40.800 -0.000 0.000 0.928 516 D HN 0.552 nan 8.370 nan 0.000 0.469 517 Q N 0.082 119.917 119.800 0.058 0.000 2.248 517 Q HA -0.130 4.200 4.340 -0.017 0.000 0.208 517 Q C 2.441 178.451 176.000 0.017 0.000 0.984 517 Q CA 0.483 56.320 55.803 0.057 0.000 0.875 517 Q CB -0.168 28.636 28.738 0.110 0.000 0.910 517 Q HN 0.426 nan 8.270 nan 0.000 0.433 518 L N 0.309 121.535 121.223 0.005 0.000 2.263 518 L HA -0.221 4.109 4.340 -0.017 0.000 0.216 518 L C 2.397 179.252 176.870 -0.026 0.000 1.111 518 L CA 0.960 55.766 54.840 -0.058 0.000 0.773 518 L CB -0.441 41.596 42.059 -0.037 0.000 0.906 518 L HN 0.239 nan 8.230 nan 0.000 0.439 519 R N 0.493 120.992 120.500 -0.001 0.000 2.103 519 R HA -0.208 4.122 4.340 -0.017 0.000 0.242 519 R C 2.143 178.448 176.300 0.009 0.000 1.142 519 R CA 1.384 57.488 56.100 0.006 0.000 0.960 519 R CB -0.333 29.969 30.300 0.004 0.000 0.858 519 R HN 0.391 nan 8.270 nan 0.000 0.439 520 K N 0.678 121.081 120.400 0.005 0.000 2.293 520 K HA -0.161 4.149 4.320 -0.017 0.000 0.204 520 K C 1.895 178.535 176.600 0.066 0.000 1.045 520 K CA 1.036 57.339 56.287 0.026 0.000 0.933 520 K CB -0.210 32.303 32.500 0.022 0.000 0.736 520 K HN 0.244 nan 8.250 nan 0.000 0.463 521 L N 0.379 121.606 121.223 0.007 0.000 2.376 521 L HA -0.141 4.189 4.340 -0.017 0.000 0.219 521 L C 1.854 178.788 176.870 0.107 0.000 1.133 521 L CA 0.061 54.904 54.840 0.006 0.000 0.816 521 L CB -0.267 41.755 42.059 -0.061 0.000 0.933 521 L HN 0.142 nan 8.230 nan 0.000 0.449 522 L N 0.193 121.457 121.223 0.069 0.000 2.079 522 L HA -0.211 4.119 4.340 -0.017 0.000 0.210 522 L C 2.739 179.625 176.870 0.028 0.000 1.081 522 L CA 2.097 56.968 54.840 0.052 0.000 0.752 522 L CB -1.135 40.938 42.059 0.023 0.000 0.896 522 L HN 0.377 nan 8.230 nan 0.000 0.433 523 S N -2.542 113.149 115.700 -0.015 0.000 2.660 523 S HA -0.108 4.352 4.470 -0.017 0.000 0.228 523 S C 1.232 175.616 174.600 -0.361 0.000 0.966 523 S CA 0.375 58.469 58.200 -0.176 0.000 0.940 523 S CB -0.613 62.442 63.200 -0.242 0.000 0.773 523 S HN 0.493 nan 8.310 nan 0.000 0.535 524 Y N -0.761 119.481 120.300 -0.097 0.000 2.500 524 Y HA 0.415 4.964 4.550 -0.003 0.000 0.246 524 Y C 1.946 177.887 175.900 0.068 0.000 1.146 524 Y CA -0.467 57.577 58.100 -0.093 0.000 1.230 524 Y CB 0.284 38.503 38.460 -0.403 0.000 1.214 524 Y HN 0.260 nan 8.280 nan 0.000 0.526 525 V N 0.518 120.529 119.914 0.161 0.000 2.594 525 V HA -0.223 3.887 4.120 -0.017 0.000 0.253 525 V C 0.973 177.136 176.094 0.114 0.000 1.069 525 V CA 2.265 64.656 62.300 0.151 0.000 1.082 525 V CB -0.036 31.840 31.823 0.087 0.000 0.680 525 V HN 0.363 nan 8.190 nan 0.000 0.469 526 D N -0.681 119.764 120.400 0.074 0.000 2.395 526 D HA 0.098 4.728 4.640 -0.017 0.000 0.213 526 D C 0.356 176.696 176.300 0.067 0.000 1.110 526 D CA -0.005 54.026 54.000 0.053 0.000 0.835 526 D CB 0.128 40.937 40.800 0.015 0.000 0.965 526 D HN 0.451 nan 8.370 nan 0.000 0.505 527 D N 1.580 122.053 120.400 0.122 0.000 2.336 527 D HA -0.018 4.612 4.640 -0.017 0.000 0.249 527 D C 1.141 177.546 176.300 0.176 0.000 1.213 527 D CA -0.053 54.040 54.000 0.155 0.000 0.870 527 D CB 1.610 42.565 40.800 0.258 0.000 1.076 527 D HN -0.187 nan 8.370 nan 0.000 0.483 528 E N 3.255 123.522 120.200 0.111 0.000 2.118 528 E HA -0.172 4.168 4.350 -0.017 0.000 0.195 528 E C 1.721 178.377 176.600 0.094 0.000 0.992 528 E CA 1.523 57.974 56.400 0.085 0.000 0.804 528 E CB 0.022 29.755 29.700 0.055 0.000 0.741 528 E HN 0.599 nan 8.360 nan 0.000 0.458 529 A N -0.328 122.566 122.820 0.123 0.000 1.873 529 A HA -0.119 4.191 4.320 -0.017 0.000 0.215 529 A C 2.221 179.897 177.584 0.153 0.000 1.186 529 A CA 1.267 53.375 52.037 0.119 0.000 0.616 529 A CB -0.994 18.081 19.000 0.124 0.000 0.823 529 A HN 0.435 nan 8.150 nan 0.000 0.442 530 F N 0.567 120.550 119.950 0.054 0.000 2.069 530 F HA -0.211 4.306 4.527 -0.016 0.000 0.298 530 F C 2.088 177.904 175.800 0.026 0.000 1.113 530 F CA 1.841 59.861 58.000 0.032 0.000 1.214 530 F CB -0.173 38.866 39.000 0.066 0.000 0.978 530 F HN 0.178 nan 8.300 nan 0.000 0.474 531 I N 0.368 120.966 120.570 0.047 0.000 2.145 531 I HA -0.421 3.739 4.170 -0.017 0.000 0.244 531 I C 2.609 178.668 176.117 -0.096 0.000 1.075 531 I CA 2.053 63.324 61.300 -0.048 0.000 1.332 531 I CB -0.575 37.447 38.000 0.037 0.000 1.033 531 I HN 0.160 nan 8.210 nan 0.000 0.410 532 R N 0.821 121.294 120.500 -0.045 0.000 2.096 532 R HA -0.195 4.135 4.340 -0.017 0.000 0.235 532 R C 1.843 178.094 176.300 -0.081 0.000 1.127 532 R CA 1.979 58.052 56.100 -0.045 0.000 0.968 532 R CB -0.190 30.104 30.300 -0.010 0.000 0.861 532 R HN 0.289 nan 8.270 nan 0.000 0.440 533 D N -0.148 120.183 120.400 -0.115 0.000 2.117 533 D HA -0.103 4.527 4.640 -0.017 0.000 0.198 533 D C 1.972 178.142 176.300 -0.216 0.000 0.982 533 D CA 1.260 55.178 54.000 -0.138 0.000 0.828 533 D CB -0.133 40.604 40.800 -0.104 0.000 0.967 533 D HN 0.091 nan 8.370 nan 0.000 0.464 534 V N 1.453 121.137 119.914 -0.385 0.000 2.287 534 V HA -0.251 3.859 4.120 -0.017 0.000 0.248 534 V C 2.511 178.510 176.094 -0.158 0.000 1.053 534 V CA 1.950 64.041 62.300 -0.349 0.000 1.027 534 V CB -0.820 30.712 31.823 -0.486 0.000 0.646 534 V HN 0.190 nan 8.190 nan 0.000 0.447 535 A N -0.598 122.151 122.820 -0.119 0.000 1.969 535 A HA -0.232 4.078 4.320 -0.017 0.000 0.218 535 A C 2.361 179.911 177.584 -0.056 0.000 1.169 535 A CA 1.996 54.000 52.037 -0.056 0.000 0.635 535 A CB -0.446 18.527 19.000 -0.045 0.000 0.810 535 A HN 0.522 nan 8.150 nan 0.000 0.445 536 K N -0.134 120.227 120.400 -0.065 0.000 2.057 536 K HA -0.067 4.243 4.320 -0.017 0.000 0.206 536 K C 1.825 178.401 176.600 -0.041 0.000 1.050 536 K CA 1.483 57.740 56.287 -0.049 0.000 0.935 536 K CB -0.263 32.211 32.500 -0.043 0.000 0.715 536 K HN 0.222 nan 8.250 nan 0.000 0.439 537 V N 1.936 121.820 119.914 -0.050 0.000 2.332 537 V HA -0.263 3.847 4.120 -0.017 0.000 0.248 537 V C 2.431 178.513 176.094 -0.020 0.000 1.055 537 V CA 2.066 64.346 62.300 -0.033 0.000 1.038 537 V CB -0.472 31.326 31.823 -0.043 0.000 0.651 537 V HN 0.361 nan 8.190 nan 0.000 0.450 538 K N 0.275 120.661 120.400 -0.023 0.000 2.026 538 K HA -0.223 4.087 4.320 -0.017 0.000 0.208 538 K C 2.182 178.760 176.600 -0.037 0.000 1.048 538 K CA 1.772 58.052 56.287 -0.012 0.000 0.929 538 K CB -0.568 31.941 32.500 0.015 0.000 0.713 538 K HN 0.346 nan 8.250 nan 0.000 0.439 539 Q N 1.055 120.826 119.800 -0.048 0.000 2.077 539 Q HA -0.158 4.172 4.340 -0.017 0.000 0.206 539 Q C 1.746 177.727 176.000 -0.031 0.000 0.989 539 Q CA 2.170 57.937 55.803 -0.061 0.000 0.853 539 Q CB -0.148 28.558 28.738 -0.053 0.000 0.907 539 Q HN 0.518 nan 8.270 nan 0.000 0.418 540 E N -0.595 119.599 120.200 -0.011 0.000 2.077 540 E HA -0.169 4.171 4.350 -0.017 0.000 0.193 540 E C 1.764 178.388 176.600 0.040 0.000 0.989 540 E CA 0.979 57.388 56.400 0.014 0.000 0.800 540 E CB -0.111 29.596 29.700 0.012 0.000 0.746 540 E HN 0.395 nan 8.360 nan 0.000 0.452 541 N N 1.051 119.772 118.700 0.034 0.000 2.120 541 N HA -0.140 4.590 4.740 -0.017 0.000 0.188 541 N C 1.519 177.104 175.510 0.125 0.000 1.024 541 N CA 1.110 54.200 53.050 0.067 0.000 0.852 541 N CB -0.094 38.418 38.487 0.041 0.000 1.003 541 N HN 0.151 nan 8.380 nan 0.000 0.424 542 K N 0.500 120.931 120.400 0.052 0.000 2.097 542 K HA 0.032 4.342 4.320 -0.017 0.000 0.205 542 K C 2.118 178.835 176.600 0.196 0.000 1.050 542 K CA 0.606 56.926 56.287 0.056 0.000 0.938 542 K CB -0.137 32.112 32.500 -0.419 0.000 0.718 542 K HN 0.097 nan 8.250 nan 0.000 0.442 543 L N 1.290 122.577 121.223 0.107 0.000 2.017 543 L HA -0.197 4.133 4.340 -0.017 0.000 0.208 543 L C 2.612 179.582 176.870 0.166 0.000 1.073 543 L CA 1.344 56.258 54.840 0.124 0.000 0.745 543 L CB -0.386 41.714 42.059 0.069 0.000 0.894 543 L HN 0.147 nan 8.230 nan 0.000 0.432 544 K N -0.214 120.285 120.400 0.166 0.000 2.063 544 K HA -0.258 4.052 4.320 -0.017 0.000 0.208 544 K C 2.152 178.916 176.600 0.273 0.000 1.048 544 K CA 1.816 58.214 56.287 0.184 0.000 0.928 544 K CB -0.188 32.404 32.500 0.153 0.000 0.713 544 K HN 0.120 nan 8.250 nan 0.000 0.442 545 F N 0.752 120.814 119.950 0.186 0.000 2.234 545 F HA 0.075 4.592 4.527 -0.016 0.000 0.296 545 F C 1.952 177.922 175.800 0.283 0.000 1.089 545 F CA 0.968 59.109 58.000 0.235 0.000 1.343 545 F CB -0.286 38.853 39.000 0.231 0.000 1.040 545 F HN 0.075 nan 8.300 nan 0.000 0.498 546 A N 0.224 123.227 122.820 0.306 0.000 1.972 546 A HA -0.052 4.258 4.320 -0.017 0.000 0.219 546 A C 2.367 180.001 177.584 0.083 0.000 1.169 546 A CA 1.673 53.822 52.037 0.186 0.000 0.635 546 A CB -1.379 17.790 19.000 0.282 0.000 0.810 546 A HN 0.443 nan 8.150 nan 0.000 0.446 547 A N -1.397 121.488 122.820 0.108 0.000 1.872 547 A HA -0.037 4.273 4.320 -0.017 0.000 0.214 547 A C 2.118 179.728 177.584 0.043 0.000 1.187 547 A CA 1.453 53.536 52.037 0.078 0.000 0.614 547 A CB -0.876 18.182 19.000 0.096 0.000 0.826 547 A HN 0.742 nan 8.150 nan 0.000 0.442 548 Y N 0.688 120.948 120.300 -0.066 0.000 2.165 548 Y HA -0.229 4.311 4.550 -0.016 0.000 0.286 548 Y C 1.922 177.740 175.900 -0.136 0.000 1.155 548 Y CA 1.938 59.978 58.100 -0.100 0.000 1.164 548 Y CB -0.278 38.118 38.460 -0.106 0.000 0.978 548 Y HN 0.224 nan 8.280 nan 0.000 0.513 549 L N 0.097 121.198 121.223 -0.203 0.000 1.994 549 L HA -0.235 4.095 4.340 -0.017 0.000 0.208 549 L C 2.556 179.347 176.870 -0.133 0.000 1.071 549 L CA 1.914 56.637 54.840 -0.195 0.000 0.745 549 L CB -0.660 41.268 42.059 -0.218 0.000 0.892 549 L HN 0.298 nan 8.230 nan 0.000 0.431 550 E N -0.153 120.001 120.200 -0.077 0.000 2.058 550 E HA -0.252 4.088 4.350 -0.017 0.000 0.194 550 E C 2.336 178.887 176.600 -0.081 0.000 0.997 550 E CA 1.307 57.693 56.400 -0.024 0.000 0.801 550 E CB -0.096 29.645 29.700 0.067 0.000 0.746 550 E HN 0.436 nan 8.360 nan 0.000 0.450 551 R N 0.588 121.009 120.500 -0.131 0.000 2.070 551 R HA -0.139 4.191 4.340 -0.017 0.000 0.232 551 R C 2.112 178.246 176.300 -0.278 0.000 1.138 551 R CA 1.336 57.339 56.100 -0.162 0.000 0.936 551 R CB -0.130 30.089 30.300 -0.136 0.000 0.839 551 R HN 0.016 nan 8.270 nan 0.000 0.429 552 E N -1.357 118.540 120.200 -0.504 0.000 2.442 552 E HA -0.024 4.316 4.350 -0.017 0.000 0.195 552 E C -0.031 176.005 176.600 -0.940 0.000 1.030 552 E CA 0.641 56.584 56.400 -0.760 0.000 0.869 552 E CB 0.497 29.531 29.700 -1.111 0.000 0.857 552 E HN 0.346 nan 8.360 nan 0.000 0.505 553 Y N -0.776 119.375 120.300 -0.250 0.000 2.825 553 Y HA 0.234 4.774 4.550 -0.017 0.000 0.259 553 Y C -0.047 175.764 175.900 -0.148 0.000 1.113 553 Y CA -0.751 57.249 58.100 -0.167 0.000 1.241 553 Y CB 0.740 39.105 38.460 -0.159 0.000 1.331 553 Y HN -0.262 nan 8.280 nan 0.000 0.570 554 K N 0.496 120.863 120.400 -0.055 0.000 3.003 554 K HA -0.153 4.157 4.320 -0.017 0.000 0.257 554 K C -0.327 176.129 176.600 -0.240 0.000 0.958 554 K CA 0.944 57.175 56.287 -0.093 0.000 0.707 554 K CB -2.152 30.312 32.500 -0.060 0.000 1.279 554 K HN 0.282 nan 8.250 nan 0.000 0.479 555 V N -2.226 117.568 119.914 -0.200 0.000 2.459 555 V HA 0.448 4.558 4.120 -0.017 0.000 0.295 555 V C 0.217 176.186 176.094 -0.209 0.000 1.029 555 V CA -0.903 61.233 62.300 -0.274 0.000 0.874 555 V CB 1.494 33.238 31.823 -0.132 0.000 0.985 555 V HN 0.287 nan 8.190 nan 0.000 0.438 556 H N 5.553 124.611 119.070 -0.019 0.000 2.597 556 H HA 0.709 5.255 4.556 -0.017 0.000 0.303 556 H C -0.041 175.279 175.328 -0.013 0.000 1.057 556 H CA -0.508 55.533 56.048 -0.012 0.000 1.261 556 H CB 1.261 31.020 29.762 -0.006 0.000 1.397 556 H HN 0.885 nan 8.280 nan 0.000 0.461 557 I N -0.162 120.478 120.570 0.115 0.000 2.530 557 I HA 0.402 4.562 4.170 -0.017 0.000 0.297 557 I C -0.213 175.986 176.117 0.137 0.000 1.011 557 I CA -1.328 60.024 61.300 0.087 0.000 1.107 557 I CB 1.910 39.925 38.000 0.025 0.000 1.285 557 I HN 0.351 nan 8.210 nan 0.000 0.436 558 N N 6.160 124.940 118.700 0.134 0.000 2.401 558 N HA 0.333 5.063 4.740 -0.017 0.000 0.255 558 N C -2.009 173.641 175.510 0.233 0.000 1.110 558 N CA -2.179 50.956 53.050 0.142 0.000 0.949 558 N CB 0.862 39.406 38.487 0.095 0.000 1.110 558 N HN 0.404 nan 8.380 nan 0.000 0.490 559 P HA 0.098 nan 4.420 nan 0.000 0.245 559 P C -0.168 177.126 177.300 -0.010 0.000 1.212 559 P CA 0.695 63.887 63.100 0.153 0.000 0.774 559 P CB 0.198 31.963 31.700 0.109 0.000 0.999 560 N N -1.101 117.626 118.700 0.044 0.000 2.353 560 N HA -0.009 4.721 4.740 -0.017 0.000 0.185 560 N C 0.418 175.964 175.510 0.061 0.000 1.098 560 N CA -0.009 53.055 53.050 0.024 0.000 0.872 560 N CB 0.005 38.514 38.487 0.035 0.000 0.970 560 N HN 0.131 nan 8.380 nan 0.000 0.467 561 S N 0.140 115.893 115.700 0.087 0.000 2.614 561 S HA 0.167 4.627 4.470 -0.017 0.000 0.265 561 S C 0.091 174.675 174.600 -0.027 0.000 1.303 561 S CA -0.886 57.352 58.200 0.064 0.000 1.000 561 S CB 0.973 64.235 63.200 0.103 0.000 0.935 561 S HN 0.192 nan 8.310 nan 0.000 0.551 562 L N 1.809 122.859 121.223 -0.287 0.000 2.361 562 L HA 0.360 4.690 4.340 -0.017 0.000 0.278 562 L C -0.834 176.016 176.870 -0.034 0.000 1.113 562 L CA -0.532 53.952 54.840 -0.594 0.000 0.849 562 L CB -0.198 41.218 42.059 -1.072 0.000 1.155 562 L HN 0.693 nan 8.230 nan 0.000 0.452 563 F N 4.266 124.083 119.950 -0.221 0.000 2.439 563 F HA 0.080 4.598 4.527 -0.015 0.000 0.356 563 F C 0.476 176.207 175.800 -0.115 0.000 1.161 563 F CA -0.762 57.177 58.000 -0.102 0.000 1.151 563 F CB 0.436 39.424 39.000 -0.020 0.000 1.222 563 F HN 0.528 nan 8.300 nan 0.000 0.558 564 D N 4.827 125.224 120.400 -0.005 0.000 2.396 564 D HA 0.193 4.823 4.640 -0.017 0.000 0.225 564 D C -1.100 175.140 176.300 -0.099 0.000 1.121 564 D CA -0.015 53.939 54.000 -0.077 0.000 0.853 564 D CB 1.453 42.191 40.800 -0.103 0.000 1.043 564 D HN 0.237 nan 8.370 nan 0.000 0.500 565 V N 4.415 124.256 119.914 -0.121 0.000 2.487 565 V HA 0.442 4.552 4.120 -0.017 0.000 0.298 565 V C -1.234 174.720 176.094 -0.234 0.000 1.028 565 V CA -0.598 61.617 62.300 -0.142 0.000 0.860 565 V CB 1.733 33.538 31.823 -0.030 0.000 0.991 565 V HN 0.573 nan 8.190 nan 0.000 0.427 566 Q N 5.417 125.093 119.800 -0.207 0.000 2.401 566 Q HA 0.654 4.984 4.340 -0.017 0.000 0.260 566 Q C -1.479 174.361 176.000 -0.266 0.000 1.034 566 Q CA -0.599 55.067 55.803 -0.227 0.000 0.737 566 Q CB 1.812 30.443 28.738 -0.178 0.000 1.227 566 Q HN 0.892 nan 8.270 nan 0.000 0.488 567 V N 1.770 121.514 119.914 -0.284 0.000 2.531 567 V HA 0.869 4.979 4.120 -0.017 0.000 0.301 567 V C -0.989 174.848 176.094 -0.427 0.000 1.034 567 V CA -0.586 61.369 62.300 -0.575 0.000 0.865 567 V CB 1.311 32.545 31.823 -0.981 0.000 0.995 567 V HN 0.837 nan 8.190 nan 0.000 0.424 568 K N 2.452 122.650 120.400 -0.337 0.000 2.960 568 K HA 0.376 4.686 4.320 -0.017 0.000 0.296 568 K C -1.267 175.361 176.600 0.047 0.000 1.092 568 K CA -1.152 55.124 56.287 -0.019 0.000 0.847 568 K CB 0.829 33.305 32.500 -0.041 0.000 1.458 568 K HN 0.490 nan 8.250 nan 0.000 0.359 569 R N 0.987 121.581 120.500 0.157 0.000 2.697 569 R HA 0.124 4.454 4.340 -0.017 0.000 0.265 569 R C 0.403 176.752 176.300 0.082 0.000 1.009 569 R CA -0.227 55.975 56.100 0.170 0.000 1.099 569 R CB -0.153 30.332 30.300 0.308 0.000 0.965 569 R HN 0.475 nan 8.270 nan 0.000 0.428 570 I N 4.523 125.064 120.570 -0.048 0.000 2.421 570 I HA 0.091 4.251 4.170 -0.017 0.000 0.291 570 I C 0.264 176.161 176.117 -0.367 0.000 1.089 570 I CA 0.294 61.501 61.300 -0.154 0.000 1.354 570 I CB -0.553 37.361 38.000 -0.144 0.000 1.413 570 I HN 0.417 nan 8.210 nan 0.000 0.513 571 H N 2.986 121.972 119.070 -0.140 0.000 2.930 571 H HA 0.261 4.807 4.556 -0.017 0.000 0.371 571 H C 0.619 175.831 175.328 -0.193 0.000 1.169 571 H CA -0.586 55.425 56.048 -0.061 0.000 1.157 571 H CB 1.764 31.431 29.762 -0.157 0.000 1.789 571 H HN 0.445 nan 8.280 nan 0.000 0.547 572 E N 0.870 121.120 120.200 0.083 0.000 2.085 572 E HA -0.263 4.077 4.350 -0.017 0.000 0.194 572 E C 1.292 177.605 176.600 -0.479 0.000 0.994 572 E CA 1.702 58.064 56.400 -0.064 0.000 0.801 572 E CB -0.068 29.770 29.700 0.230 0.000 0.743 572 E HN 0.685 nan 8.360 nan 0.000 0.453 573 Y N 0.931 120.669 120.300 -0.936 0.000 2.333 573 Y HA -0.102 4.438 4.550 -0.017 0.000 0.290 573 Y C 1.540 177.171 175.900 -0.447 0.000 1.144 573 Y CA 1.019 58.408 58.100 -1.184 0.000 1.228 573 Y CB -0.170 37.699 38.460 -0.985 0.000 0.985 573 Y HN -0.195 nan 8.280 nan 0.000 0.542 574 K N 0.620 120.543 120.400 -0.797 0.000 2.432 574 K HA 0.061 4.371 4.320 -0.017 0.000 0.196 574 K C 0.184 176.613 176.600 -0.285 0.000 1.038 574 K CA 0.578 56.527 56.287 -0.562 0.000 0.986 574 K CB -0.032 32.135 32.500 -0.556 0.000 0.782 574 K HN 0.272 nan 8.250 nan 0.000 0.485 575 R N 0.215 120.573 120.500 -0.237 0.000 3.423 575 R HA -0.230 4.100 4.340 -0.017 0.000 0.271 575 R C 0.308 176.529 176.300 -0.130 0.000 1.093 575 R CA 0.269 56.283 56.100 -0.144 0.000 0.730 575 R CB -2.017 28.216 30.300 -0.112 0.000 1.190 575 R HN 0.292 nan 8.270 nan 0.000 0.437 576 Q N 0.364 120.086 119.800 -0.131 0.000 2.248 576 Q HA -0.087 4.243 4.340 -0.017 0.000 0.208 576 Q C 2.036 177.990 176.000 -0.077 0.000 0.984 576 Q CA 1.559 57.300 55.803 -0.102 0.000 0.875 576 Q CB -0.021 28.660 28.738 -0.096 0.000 0.910 576 Q HN 0.587 nan 8.270 nan 0.000 0.433 577 L N -0.728 120.452 121.223 -0.071 0.000 2.093 577 L HA -0.158 4.172 4.340 -0.017 0.000 0.208 577 L C 1.995 178.870 176.870 0.007 0.000 1.085 577 L CA 0.449 55.263 54.840 -0.043 0.000 0.755 577 L CB -0.291 41.752 42.059 -0.026 0.000 0.904 577 L HN 0.304 nan 8.230 nan 0.000 0.435 578 L N 0.075 121.295 121.223 -0.005 0.000 2.046 578 L HA -0.250 4.080 4.340 -0.017 0.000 0.208 578 L C 2.046 178.977 176.870 0.102 0.000 1.077 578 L CA 1.937 56.790 54.840 0.020 0.000 0.747 578 L CB -0.793 41.174 42.059 -0.155 0.000 0.896 578 L HN 0.295 nan 8.230 nan 0.000 0.432 579 N N -1.663 117.064 118.700 0.045 0.000 2.120 579 N HA -0.237 4.493 4.740 -0.017 0.000 0.188 579 N C 1.939 177.528 175.510 0.132 0.000 1.024 579 N CA 1.569 54.719 53.050 0.167 0.000 0.852 579 N CB -0.142 38.374 38.487 0.048 0.000 1.003 579 N HN 0.497 nan 8.380 nan 0.000 0.424 580 C N 0.586 119.903 119.300 0.028 0.000 2.413 580 C HA -0.082 4.368 4.460 -0.017 0.000 0.276 580 C C 2.598 177.580 174.990 -0.012 0.000 1.248 580 C CA 0.391 59.380 59.018 -0.049 0.000 1.742 580 C CB -1.250 26.412 27.740 -0.131 0.000 2.017 580 C HN 0.510 nan 8.230 nan 0.000 0.481 581 L N -0.433 120.845 121.223 0.091 0.000 2.046 581 L HA -0.186 4.144 4.340 -0.017 0.000 0.208 581 L C 2.776 179.792 176.870 0.243 0.000 1.077 581 L CA 1.781 56.724 54.840 0.172 0.000 0.747 581 L CB -1.082 41.154 42.059 0.295 0.000 0.896 581 L HN 0.580 nan 8.230 nan 0.000 0.432 582 H N 0.009 119.176 119.070 0.161 0.000 2.321 582 H HA -0.150 4.396 4.556 -0.017 0.000 0.300 582 H C 2.247 177.557 175.328 -0.030 0.000 1.087 582 H CA 1.987 58.039 56.048 0.006 0.000 1.319 582 H CB 0.288 29.971 29.762 -0.132 0.000 1.379 582 H HN 0.086 nan 8.280 nan 0.000 0.501 583 V N 1.480 121.314 119.914 -0.134 0.000 2.287 583 V HA -0.281 3.829 4.120 -0.017 0.000 0.248 583 V C 2.820 178.841 176.094 -0.122 0.000 1.053 583 V CA 1.998 64.185 62.300 -0.188 0.000 1.027 583 V CB -0.502 31.258 31.823 -0.105 0.000 0.646 583 V HN 0.387 nan 8.190 nan 0.000 0.447 584 I N -0.414 120.123 120.570 -0.055 0.000 2.394 584 I HA -0.194 3.966 4.170 -0.017 0.000 0.251 584 I C 2.460 178.630 176.117 0.088 0.000 1.136 584 I CA 1.525 62.864 61.300 0.066 0.000 1.425 584 I CB -0.587 37.434 38.000 0.035 0.000 1.079 584 I HN 0.318 nan 8.210 nan 0.000 0.425 585 T N 1.145 115.702 114.554 0.004 0.000 2.708 585 T HA -0.149 4.191 4.350 -0.017 0.000 0.266 585 T C 1.871 176.518 174.700 -0.089 0.000 1.037 585 T CA 1.234 63.327 62.100 -0.011 0.000 1.146 585 T CB -0.238 68.644 68.868 0.024 0.000 0.865 585 T HN 0.076 nan 8.240 nan 0.000 0.435 586 L N 0.101 121.201 121.223 -0.205 0.000 2.017 586 L HA -0.017 4.313 4.340 -0.017 0.000 0.208 586 L C 2.105 178.930 176.870 -0.075 0.000 1.073 586 L CA 1.577 56.297 54.840 -0.200 0.000 0.745 586 L CB -1.094 40.776 42.059 -0.315 0.000 0.894 586 L HN 0.350 nan 8.230 nan 0.000 0.432 587 Y N 0.391 120.624 120.300 -0.112 0.000 2.128 587 Y HA -0.332 4.208 4.550 -0.017 0.000 0.284 587 Y C 2.465 178.346 175.900 -0.032 0.000 1.154 587 Y CA 1.986 60.063 58.100 -0.038 0.000 1.149 587 Y CB -0.103 38.382 38.460 0.041 0.000 0.976 587 Y HN 0.303 nan 8.280 nan 0.000 0.505 588 N N 0.368 119.014 118.700 -0.091 0.000 2.166 588 N HA -0.141 4.589 4.740 -0.017 0.000 0.186 588 N C 1.807 177.199 175.510 -0.197 0.000 1.019 588 N CA 1.529 54.465 53.050 -0.190 0.000 0.856 588 N CB -0.382 38.057 38.487 -0.080 0.000 0.993 588 N HN 0.458 nan 8.380 nan 0.000 0.426 589 R N 0.384 120.796 120.500 -0.146 0.000 2.115 589 R HA 0.055 4.385 4.340 -0.017 0.000 0.230 589 R C 2.171 178.383 176.300 -0.147 0.000 1.111 589 R CA 0.689 56.712 56.100 -0.128 0.000 0.976 589 R CB -0.224 30.011 30.300 -0.108 0.000 0.870 589 R HN 0.257 nan 8.270 nan 0.000 0.445 590 I N 0.953 121.413 120.570 -0.183 0.000 2.163 590 I HA -0.258 3.902 4.170 -0.017 0.000 0.240 590 I C 2.137 178.134 176.117 -0.200 0.000 1.081 590 I CA 1.187 62.381 61.300 -0.177 0.000 1.353 590 I CB -0.207 37.693 38.000 -0.167 0.000 1.054 590 I HN -0.016 nan 8.210 nan 0.000 0.407 591 K N 0.941 121.152 120.400 -0.315 0.000 2.152 591 K HA -0.234 4.076 4.320 -0.017 0.000 0.206 591 K C 2.011 178.507 176.600 -0.172 0.000 1.048 591 K CA 1.340 57.459 56.287 -0.280 0.000 0.933 591 K CB -0.367 31.887 32.500 -0.410 0.000 0.721 591 K HN 0.344 nan 8.250 nan 0.000 0.447 592 K N 1.058 121.363 120.400 -0.159 0.000 2.031 592 K HA -0.080 4.230 4.320 -0.017 0.000 0.205 592 K C 0.138 176.689 176.600 -0.082 0.000 1.049 592 K CA 1.064 57.285 56.287 -0.110 0.000 0.939 592 K CB 0.307 32.745 32.500 -0.102 0.000 0.717 592 K HN 0.064 nan 8.250 nan 0.000 0.438 593 E N 0.227 120.378 120.200 -0.082 0.000 3.303 593 E HA 0.120 4.460 4.350 -0.017 0.000 0.215 593 E C -2.290 174.276 176.600 -0.057 0.000 1.181 593 E CA -1.658 54.707 56.400 -0.058 0.000 0.998 593 E CB 1.642 31.314 29.700 -0.047 0.000 1.312 593 E HN 0.151 nan 8.360 nan 0.000 0.412 594 P HA -0.135 nan 4.420 nan 0.000 0.218 594 P C 0.188 177.472 177.300 -0.027 0.000 1.148 594 P CA 1.204 64.274 63.100 -0.051 0.000 0.822 594 P CB 0.206 31.881 31.700 -0.043 0.000 0.784 595 N N -1.373 117.319 118.700 -0.013 0.000 2.268 595 N HA 0.023 4.753 4.740 -0.017 0.000 0.204 595 N C 0.525 176.051 175.510 0.027 0.000 1.124 595 N CA -0.146 52.909 53.050 0.008 0.000 0.838 595 N CB 0.128 38.619 38.487 0.007 0.000 0.994 595 N HN -0.002 nan 8.380 nan 0.000 0.489 596 K N 1.100 121.510 120.400 0.016 0.000 2.144 596 K HA 0.137 4.448 4.320 -0.017 0.000 0.270 596 K C -0.842 175.802 176.600 0.072 0.000 1.005 596 K CA -0.473 55.838 56.287 0.041 0.000 0.932 596 K CB 0.636 33.138 32.500 0.004 0.000 1.021 596 K HN -0.045 nan 8.250 nan 0.000 0.462 597 F N 4.141 124.078 119.950 -0.022 0.000 2.412 597 F HA 0.276 4.793 4.527 -0.017 0.000 0.348 597 F C -0.476 175.310 175.800 -0.024 0.000 1.102 597 F CA -0.302 57.686 58.000 -0.020 0.000 1.196 597 F CB 0.688 39.679 39.000 -0.015 0.000 1.144 597 F HN 0.170 nan 8.300 nan 0.000 0.541 598 V N 3.830 123.143 119.914 -1.003 0.000 2.925 598 V HA 0.534 4.644 4.120 -0.017 0.000 0.311 598 V C -0.752 174.660 176.094 -1.137 0.000 1.104 598 V CA -1.279 60.500 62.300 -0.868 0.000 0.954 598 V CB 0.940 32.525 31.823 -0.396 0.000 1.022 598 V HN 0.611 nan 8.190 nan 0.000 0.427 599 V N 4.294 123.801 119.914 -0.678 0.000 2.509 599 V HA 0.165 4.275 4.120 -0.017 0.000 0.297 599 V C -1.804 174.123 176.094 -0.279 0.000 1.014 599 V CA -0.311 61.777 62.300 -0.353 0.000 1.127 599 V CB 0.114 31.857 31.823 -0.134 0.000 0.925 599 V HN 0.901 nan 8.190 nan 0.000 0.480 600 P HA 0.323 nan 4.420 nan 0.000 0.268 600 P C -0.379 176.842 177.300 -0.132 0.000 1.205 600 P CA -0.064 62.960 63.100 -0.128 0.000 0.771 600 P CB 0.553 32.227 31.700 -0.043 0.000 0.858 601 R N 0.977 121.409 120.500 -0.113 0.000 2.686 601 R HA 0.535 4.865 4.340 -0.017 0.000 0.286 601 R C -0.691 175.574 176.300 -0.058 0.000 0.969 601 R CA -0.596 55.438 56.100 -0.110 0.000 0.898 601 R CB 1.877 32.096 30.300 -0.135 0.000 1.183 601 R HN 0.318 nan 8.270 nan 0.000 0.456 602 T N 2.279 116.817 114.554 -0.028 0.000 2.770 602 T HA 0.236 4.576 4.350 -0.017 0.000 0.297 602 T C -0.297 174.322 174.700 -0.135 0.000 0.997 602 T CA -0.472 61.571 62.100 -0.095 0.000 0.949 602 T CB 1.099 69.858 68.868 -0.182 0.000 0.941 602 T HN 0.126 nan 8.240 nan 0.000 0.457 603 V N 5.990 125.831 119.914 -0.122 0.000 2.348 603 V HA 0.398 4.508 4.120 -0.017 0.000 0.270 603 V C 0.034 176.050 176.094 -0.130 0.000 1.037 603 V CA -0.421 61.812 62.300 -0.113 0.000 0.872 603 V CB 0.544 32.316 31.823 -0.085 0.000 1.002 603 V HN 0.864 nan 8.190 nan 0.000 0.464 604 M N 6.789 126.300 119.600 -0.147 0.000 2.227 604 M HA 0.622 5.092 4.480 -0.017 0.000 0.335 604 M C -0.941 175.250 176.300 -0.182 0.000 1.053 604 M CA -0.116 55.088 55.300 -0.161 0.000 0.973 604 M CB 1.907 34.410 32.600 -0.161 0.000 1.623 604 M HN 0.403 nan 8.290 nan 0.000 0.434 605 I N 1.759 122.201 120.570 -0.214 0.000 2.545 605 I HA 0.879 5.039 4.170 -0.017 0.000 0.292 605 I C 0.111 175.892 176.117 -0.561 0.000 1.040 605 I CA -0.658 60.484 61.300 -0.263 0.000 1.068 605 I CB 2.326 40.260 38.000 -0.109 0.000 1.251 605 I HN 0.806 nan 8.210 nan 0.000 0.424 606 G N 2.753 111.192 108.800 -0.602 0.000 2.692 606 G HA2 0.828 4.778 3.960 -0.017 0.000 0.291 606 G HA3 0.828 4.778 3.960 -0.017 0.000 0.291 606 G C -1.041 173.566 174.900 -0.489 0.000 1.423 606 G CA -0.698 43.888 45.100 -0.855 0.000 0.843 606 G HN 1.013 nan 8.290 nan 0.000 0.486 607 G N -0.513 108.149 108.800 -0.230 0.000 2.329 607 G HA2 0.385 4.335 3.960 -0.017 0.000 0.308 607 G HA3 0.385 4.335 3.960 -0.017 0.000 0.308 607 G C -1.225 173.807 174.900 0.221 0.000 1.587 607 G CA -1.027 44.112 45.100 0.066 0.000 0.978 607 G HN 0.591 nan 8.290 nan 0.000 0.685 608 K N 0.055 120.581 120.400 0.210 0.000 2.118 608 K HA 0.725 5.035 4.320 -0.017 0.000 0.267 608 K C 0.408 177.125 176.600 0.194 0.000 0.991 608 K CA -0.067 56.360 56.287 0.233 0.000 0.916 608 K CB 1.898 34.455 32.500 0.094 0.000 1.041 608 K HN 0.886 nan 8.250 nan 0.000 0.455 609 A N 1.614 124.574 122.820 0.233 0.000 2.312 609 A HA 0.606 4.916 4.320 -0.017 0.000 0.326 609 A C -0.362 177.388 177.584 0.277 0.000 1.172 609 A CA -0.704 51.412 52.037 0.131 0.000 0.821 609 A CB 0.896 19.906 19.000 0.016 0.000 1.166 609 A HN 0.784 nan 8.150 nan 0.000 0.493 610 A N 3.664 126.636 122.820 0.254 0.000 2.520 610 A HA 0.461 4.771 4.320 -0.017 0.000 0.245 610 A C -1.406 176.298 177.584 0.202 0.000 1.072 610 A CA -0.798 51.416 52.037 0.296 0.000 0.761 610 A CB -0.341 18.840 19.000 0.303 0.000 1.004 610 A HN 0.600 nan 8.150 nan 0.000 0.499 611 P HA -0.127 nan 4.420 nan 0.000 0.217 611 P C 1.328 178.649 177.300 0.035 0.000 1.148 611 P CA 1.899 64.971 63.100 -0.046 0.000 0.828 611 P CB 0.199 31.806 31.700 -0.156 0.000 0.783 612 G N -2.832 106.024 108.800 0.093 0.000 3.141 612 G HA2 -0.094 3.856 3.960 -0.017 0.000 0.218 612 G HA3 -0.094 3.856 3.960 -0.017 0.000 0.218 612 G C -0.214 174.786 174.900 0.167 0.000 1.170 612 G CA -0.110 45.047 45.100 0.096 0.000 0.769 612 G HN 0.317 nan 8.290 nan 0.000 0.546 613 Y N 1.454 121.784 120.300 0.050 0.000 2.676 613 Y HA 0.222 4.762 4.550 -0.017 0.000 0.338 613 Y C 1.548 177.495 175.900 0.078 0.000 1.057 613 Y CA -1.131 57.004 58.100 0.058 0.000 1.314 613 Y CB 0.206 38.694 38.460 0.046 0.000 1.164 613 Y HN 0.292 nan 8.280 nan 0.000 0.509 614 H N 4.429 123.655 119.070 0.260 0.000 2.290 614 H HA -0.208 4.338 4.556 -0.016 0.000 0.298 614 H C 1.786 177.168 175.328 0.090 0.000 1.087 614 H CA 2.301 58.431 56.048 0.136 0.000 1.291 614 H CB 0.362 30.189 29.762 0.109 0.000 1.369 614 H HN 0.735 nan 8.280 nan 0.000 0.492 615 M N 1.146 120.791 119.600 0.076 0.000 2.149 615 M HA -0.109 4.361 4.480 -0.017 0.000 0.261 615 M C 2.499 178.597 176.300 -0.336 0.000 1.064 615 M CA 1.877 57.125 55.300 -0.086 0.000 1.102 615 M CB -0.709 31.985 32.600 0.156 0.000 1.369 615 M HN 0.363 nan 8.290 nan 0.000 0.408 616 A N -0.622 121.775 122.820 -0.705 0.000 1.930 616 A HA -0.154 4.156 4.320 -0.017 0.000 0.217 616 A C 2.176 179.559 177.584 -0.334 0.000 1.175 616 A CA 1.627 53.246 52.037 -0.696 0.000 0.627 616 A CB -0.583 17.762 19.000 -1.091 0.000 0.815 616 A HN 0.569 nan 8.150 nan 0.000 0.443 617 K N -1.059 119.204 120.400 -0.228 0.000 2.097 617 K HA -0.058 4.252 4.320 -0.017 0.000 0.205 617 K C 1.889 178.436 176.600 -0.088 0.000 1.050 617 K CA 1.236 57.471 56.287 -0.086 0.000 0.938 617 K CB -0.233 32.287 32.500 0.032 0.000 0.718 617 K HN 0.329 nan 8.250 nan 0.000 0.442 618 M N 0.614 120.118 119.600 -0.160 0.000 2.175 618 M HA -0.087 4.383 4.480 -0.017 0.000 0.264 618 M C 2.112 178.347 176.300 -0.108 0.000 1.063 618 M CA 1.382 56.623 55.300 -0.099 0.000 1.119 618 M CB -0.662 31.863 32.600 -0.124 0.000 1.377 618 M HN 0.117 nan 8.290 nan 0.000 0.415 619 I N -0.314 120.156 120.570 -0.166 0.000 2.252 619 I HA -0.301 3.859 4.170 -0.017 0.000 0.245 619 I C 2.287 178.272 176.117 -0.220 0.000 1.102 619 I CA 1.027 62.219 61.300 -0.180 0.000 1.385 619 I CB -0.310 37.585 38.000 -0.175 0.000 1.064 619 I HN 0.164 nan 8.210 nan 0.000 0.414 620 I N 0.695 121.113 120.570 -0.254 0.000 2.163 620 I HA -0.333 3.827 4.170 -0.017 0.000 0.243 620 I C 2.623 178.448 176.117 -0.487 0.000 1.085 620 I CA 1.349 62.398 61.300 -0.419 0.000 1.347 620 I CB -0.337 37.389 38.000 -0.458 0.000 1.044 620 I HN 0.171 nan 8.210 nan 0.000 0.408 621 K N 1.505 121.628 120.400 -0.461 0.000 2.063 621 K HA -0.170 4.140 4.320 -0.017 0.000 0.208 621 K C 2.037 178.462 176.600 -0.292 0.000 1.048 621 K CA 1.574 57.507 56.287 -0.590 0.000 0.928 621 K CB -0.686 31.215 32.500 -0.997 0.000 0.713 621 K HN 0.240 nan 8.250 nan 0.000 0.442 622 L N 0.353 121.441 121.223 -0.225 0.000 2.012 622 L HA -0.201 4.129 4.340 -0.017 0.000 0.210 622 L C 2.255 178.883 176.870 -0.403 0.000 1.073 622 L CA 1.864 56.406 54.840 -0.497 0.000 0.748 622 L CB -0.333 41.371 42.059 -0.592 0.000 0.891 622 L HN 0.275 nan 8.230 nan 0.000 0.431 623 I N -0.200 120.186 120.570 -0.307 0.000 2.163 623 I HA -0.351 3.809 4.170 -0.017 0.000 0.243 623 I C 2.657 178.659 176.117 -0.192 0.000 1.085 623 I CA 1.983 63.155 61.300 -0.214 0.000 1.347 623 I CB -0.599 37.356 38.000 -0.075 0.000 1.044 623 I HN 0.447 nan 8.210 nan 0.000 0.408 624 T N -0.696 113.714 114.554 -0.239 0.000 2.788 624 T HA -0.141 4.199 4.350 -0.017 0.000 0.268 624 T C 1.988 176.608 174.700 -0.133 0.000 1.044 624 T CA 1.061 63.050 62.100 -0.185 0.000 1.139 624 T CB -0.575 68.137 68.868 -0.260 0.000 0.867 624 T HN 0.352 nan 8.240 nan 0.000 0.454 625 A N 1.628 124.363 122.820 -0.143 0.000 1.902 625 A HA 0.100 4.410 4.320 -0.017 0.000 0.217 625 A C 2.403 179.978 177.584 -0.014 0.000 1.181 625 A CA 1.463 53.480 52.037 -0.032 0.000 0.623 625 A CB -0.875 18.186 19.000 0.102 0.000 0.818 625 A HN 0.594 nan 8.150 nan 0.000 0.443 626 I N -0.218 120.238 120.570 -0.190 0.000 2.127 626 I HA -0.240 3.920 4.170 -0.017 0.000 0.241 626 I C 2.772 178.835 176.117 -0.090 0.000 1.075 626 I CA 1.249 62.415 61.300 -0.224 0.000 1.334 626 I CB -0.806 36.945 38.000 -0.415 0.000 1.040 626 I HN 0.393 nan 8.210 nan 0.000 0.405 627 G N 0.590 109.333 108.800 -0.095 0.000 2.513 627 G HA2 -0.320 3.630 3.960 -0.017 0.000 0.219 627 G HA3 -0.320 3.630 3.960 -0.017 0.000 0.219 627 G C 1.278 176.176 174.900 -0.003 0.000 1.160 627 G CA 1.390 46.453 45.100 -0.063 0.000 0.767 627 G HN 0.310 nan 8.290 nan 0.000 0.571 628 D N -0.136 120.293 120.400 0.050 0.000 2.149 628 D HA -0.086 4.544 4.640 -0.017 0.000 0.198 628 D C 2.702 179.113 176.300 0.186 0.000 0.990 628 D CA 0.817 54.908 54.000 0.152 0.000 0.839 628 D CB -0.270 40.559 40.800 0.049 0.000 0.948 628 D HN 0.259 nan 8.370 nan 0.000 0.460 629 V N 0.132 120.084 119.914 0.063 0.000 2.331 629 V HA -0.131 3.979 4.120 -0.017 0.000 0.242 629 V C 2.567 178.615 176.094 -0.076 0.000 1.034 629 V CA 0.761 63.043 62.300 -0.031 0.000 1.027 629 V CB -0.168 31.599 31.823 -0.093 0.000 0.667 629 V HN 0.030 nan 8.190 nan 0.000 0.457 630 V N 0.863 120.682 119.914 -0.159 0.000 2.427 630 V HA -0.165 3.945 4.120 -0.017 0.000 0.248 630 V C 2.061 178.114 176.094 -0.069 0.000 1.051 630 V CA 1.841 64.027 62.300 -0.190 0.000 1.048 630 V CB -0.793 30.911 31.823 -0.197 0.000 0.666 630 V HN 0.562 nan 8.190 nan 0.000 0.456 631 N N -0.376 118.242 118.700 -0.136 0.000 2.494 631 N HA -0.051 4.679 4.740 -0.017 0.000 0.182 631 N C 1.086 176.330 175.510 -0.443 0.000 1.076 631 N CA 0.738 53.612 53.050 -0.293 0.000 0.908 631 N CB -0.188 38.059 38.487 -0.399 0.000 0.967 631 N HN 0.669 nan 8.380 nan 0.000 0.449 632 H N -1.554 117.518 119.070 0.002 0.000 2.674 632 H HA 0.213 4.760 4.556 -0.016 0.000 0.274 632 H C -0.585 174.760 175.328 0.028 0.000 1.121 632 H CA -0.490 55.564 56.048 0.010 0.000 1.132 632 H CB 0.612 30.369 29.762 -0.008 0.000 1.606 632 H HN -0.018 nan 8.280 nan 0.000 0.558 633 D N 1.728 122.202 120.400 0.123 0.000 2.313 633 D HA 0.056 4.686 4.640 -0.017 0.000 0.239 633 D C -1.649 174.711 176.300 0.100 0.000 1.142 633 D CA -2.102 51.983 54.000 0.141 0.000 0.847 633 D CB 1.792 42.744 40.800 0.253 0.000 1.082 633 D HN 0.088 nan 8.370 nan 0.000 0.480 634 P HA -0.114 nan 4.420 nan 0.000 0.218 634 P C 1.595 178.921 177.300 0.043 0.000 1.149 634 P CA 0.391 63.523 63.100 0.054 0.000 0.817 634 P CB 0.388 32.115 31.700 0.045 0.000 0.785 635 V N -0.514 119.427 119.914 0.045 0.000 2.490 635 V HA -0.172 3.938 4.120 -0.017 0.000 0.250 635 V C 2.463 178.568 176.094 0.019 0.000 1.061 635 V CA 1.517 63.831 62.300 0.023 0.000 1.064 635 V CB -1.117 30.710 31.823 0.007 0.000 0.670 635 V HN -0.016 nan 8.190 nan 0.000 0.461 636 V N -0.177 119.767 119.914 0.050 0.000 2.453 636 V HA 0.089 4.199 4.120 -0.017 0.000 0.247 636 V C 1.882 177.991 176.094 0.025 0.000 1.048 636 V CA 1.611 63.940 62.300 0.048 0.000 1.049 636 V CB -1.052 30.844 31.823 0.122 0.000 0.672 636 V HN 0.744 nan 8.190 nan 0.000 0.457 637 G N 1.522 110.340 108.800 0.029 0.000 2.565 637 G HA2 -0.365 3.585 3.960 -0.017 0.000 0.295 637 G HA3 -0.365 3.585 3.960 -0.017 0.000 0.295 637 G C 0.263 175.170 174.900 0.013 0.000 1.165 637 G CA 0.499 45.611 45.100 0.020 0.000 0.977 637 G HN 0.739 nan 8.290 nan 0.000 0.546 638 D N 0.065 120.472 120.400 0.011 0.000 2.696 638 D HA 0.293 4.923 4.640 -0.017 0.000 0.269 638 D C 1.500 177.799 176.300 -0.002 0.000 1.319 638 D CA -0.200 53.805 54.000 0.008 0.000 0.826 638 D CB -0.080 40.732 40.800 0.020 0.000 1.086 638 D HN 0.587 nan 8.370 nan 0.000 0.481 639 R N -0.635 119.855 120.500 -0.017 0.000 2.200 639 R HA 0.236 4.566 4.340 -0.017 0.000 0.208 639 R C -0.103 176.162 176.300 -0.059 0.000 1.033 639 R CA 0.249 56.318 56.100 -0.051 0.000 1.000 639 R CB 0.401 30.654 30.300 -0.079 0.000 0.906 639 R HN 0.107 nan 8.270 nan 0.000 0.462 640 L N 0.664 121.867 121.223 -0.033 0.000 2.516 640 L HA 0.384 4.714 4.340 -0.017 0.000 0.267 640 L C -1.517 175.332 176.870 -0.035 0.000 0.957 640 L CA -0.473 54.345 54.840 -0.037 0.000 0.860 640 L CB 1.763 43.813 42.059 -0.015 0.000 1.265 640 L HN -0.183 nan 8.230 nan 0.000 0.403 641 R N 3.813 124.280 120.500 -0.056 0.000 2.628 641 R HA 0.779 5.109 4.340 -0.017 0.000 0.288 641 R C -1.653 174.594 176.300 -0.088 0.000 0.980 641 R CA -0.790 55.267 56.100 -0.072 0.000 0.891 641 R CB 2.445 32.704 30.300 -0.068 0.000 1.188 641 R HN 0.406 nan 8.270 nan 0.000 0.450 642 V N 4.865 124.724 119.914 -0.093 0.000 2.407 642 V HA 0.482 4.592 4.120 -0.017 0.000 0.291 642 V C -0.391 175.657 176.094 -0.077 0.000 1.018 642 V CA -0.731 61.515 62.300 -0.090 0.000 0.842 642 V CB 1.672 33.439 31.823 -0.093 0.000 0.996 642 V HN 0.535 nan 8.190 nan 0.000 0.426 643 I N 4.799 125.323 120.570 -0.077 0.000 2.465 643 I HA 0.450 4.610 4.170 -0.017 0.000 0.291 643 I C -0.677 175.422 176.117 -0.030 0.000 1.014 643 I CA -0.373 60.890 61.300 -0.060 0.000 1.093 643 I CB 1.913 39.854 38.000 -0.098 0.000 1.267 643 I HN 0.553 nan 8.210 nan 0.000 0.431 644 F N 7.025 126.901 119.950 -0.122 0.000 2.404 644 F HA 0.473 4.990 4.527 -0.016 0.000 0.358 644 F C -0.530 175.198 175.800 -0.121 0.000 1.120 644 F CA -0.643 57.287 58.000 -0.116 0.000 1.144 644 F CB 0.658 39.590 39.000 -0.112 0.000 1.133 644 F HN 0.158 nan 8.300 nan 0.000 0.495 645 L N 6.233 127.069 121.223 -0.645 0.000 2.342 645 L HA 0.165 4.495 4.340 -0.017 0.000 0.285 645 L C 0.296 176.922 176.870 -0.407 0.000 1.095 645 L CA 0.118 54.704 54.840 -0.423 0.000 0.843 645 L CB 0.101 41.985 42.059 -0.292 0.000 1.201 645 L HN 0.611 nan 8.230 nan 0.000 0.445 646 E N 3.299 123.399 120.200 -0.167 0.000 2.373 646 E HA -0.022 4.318 4.350 -0.017 0.000 0.267 646 E C 0.491 177.152 176.600 0.102 0.000 1.032 646 E CA -0.193 56.244 56.400 0.062 0.000 0.889 646 E CB 0.333 30.044 29.700 0.019 0.000 0.984 646 E HN 0.547 nan 8.360 nan 0.000 0.425 647 N N 2.437 121.253 118.700 0.193 0.000 2.754 647 N HA -0.277 4.453 4.740 -0.017 0.000 0.248 647 N C -1.431 174.178 175.510 0.165 0.000 1.093 647 N CA 0.552 53.714 53.050 0.186 0.000 0.699 647 N CB -1.733 36.875 38.487 0.203 0.000 1.016 647 N HN 0.500 nan 8.380 nan 0.000 0.552 648 Y N 1.570 121.884 120.300 0.023 0.000 2.810 648 Y HA 0.134 4.674 4.550 -0.017 0.000 0.332 648 Y C 1.139 177.066 175.900 0.044 0.000 1.243 648 Y CA 0.992 59.095 58.100 0.005 0.000 1.537 648 Y CB 0.322 38.750 38.460 -0.053 0.000 1.265 648 Y HN 0.383 nan 8.280 nan 0.000 0.572 649 R N 2.221 122.346 120.500 -0.625 0.000 2.752 649 R HA 0.368 4.698 4.340 -0.017 0.000 0.277 649 R C -0.674 175.312 176.300 -0.523 0.000 1.024 649 R CA -0.522 55.343 56.100 -0.392 0.000 0.866 649 R CB 0.157 30.424 30.300 -0.055 0.000 1.278 649 R HN 0.354 nan 8.270 nan 0.000 0.473 650 V N 1.092 120.713 119.914 -0.488 0.000 2.252 650 V HA -0.308 3.802 4.120 -0.017 0.000 0.249 650 V C 2.628 178.599 176.094 -0.206 0.000 1.056 650 V CA 2.880 64.955 62.300 -0.376 0.000 1.022 650 V CB -0.875 30.675 31.823 -0.455 0.000 0.641 650 V HN 0.926 nan 8.190 nan 0.000 0.445 651 S N 0.197 115.801 115.700 -0.159 0.000 2.383 651 S HA -0.227 4.233 4.470 -0.017 0.000 0.229 651 S C 1.962 176.517 174.600 -0.075 0.000 1.030 651 S CA 1.926 60.061 58.200 -0.108 0.000 1.002 651 S CB -0.627 62.538 63.200 -0.057 0.000 0.829 651 S HN 0.394 nan 8.310 nan 0.000 0.467 652 L N 1.933 123.125 121.223 -0.053 0.000 2.109 652 L HA 0.281 4.611 4.340 -0.017 0.000 0.207 652 L C 2.727 179.629 176.870 0.054 0.000 1.086 652 L CA 1.442 56.298 54.840 0.026 0.000 0.760 652 L CB -1.239 40.899 42.059 0.131 0.000 0.910 652 L HN 0.381 nan 8.230 nan 0.000 0.437 653 A N -0.726 122.103 122.820 0.016 0.000 1.940 653 A HA -0.249 4.061 4.320 -0.017 0.000 0.219 653 A C 2.151 179.809 177.584 0.123 0.000 1.176 653 A CA 1.894 54.017 52.037 0.144 0.000 0.631 653 A CB -0.618 18.453 19.000 0.119 0.000 0.814 653 A HN 0.591 nan 8.150 nan 0.000 0.446 654 E N -0.472 119.776 120.200 0.080 0.000 2.265 654 E HA -0.162 4.178 4.350 -0.017 0.000 0.196 654 E C 1.930 178.507 176.600 -0.039 0.000 0.996 654 E CA 1.216 57.619 56.400 0.004 0.000 0.832 654 E CB -0.045 29.556 29.700 -0.165 0.000 0.756 654 E HN 0.634 nan 8.360 nan 0.000 0.491 655 K N 0.007 120.372 120.400 -0.059 0.000 2.078 655 K HA 0.009 4.319 4.320 -0.017 0.000 0.203 655 K C 2.150 178.603 176.600 -0.245 0.000 1.043 655 K CA 0.542 56.785 56.287 -0.072 0.000 0.960 655 K CB -0.046 32.423 32.500 -0.051 0.000 0.761 655 K HN -0.046 nan 8.250 nan 0.000 0.448 656 V N 1.786 121.470 119.914 -0.384 0.000 2.488 656 V HA -0.127 3.983 4.120 -0.017 0.000 0.246 656 V C 1.875 177.729 176.094 -0.401 0.000 1.046 656 V CA 1.209 63.046 62.300 -0.772 0.000 1.053 656 V CB -0.166 31.309 31.823 -0.580 0.000 0.679 656 V HN 0.247 nan 8.190 nan 0.000 0.458 657 I N 0.764 121.157 120.570 -0.295 0.000 2.142 657 I HA -0.130 4.030 4.170 -0.017 0.000 0.240 657 I C -0.173 175.833 176.117 -0.186 0.000 1.078 657 I CA 1.645 62.706 61.300 -0.399 0.000 1.343 657 I CB -1.622 36.001 38.000 -0.627 0.000 1.046 657 I HN 0.357 nan 8.210 nan 0.000 0.405 658 P HA -0.150 nan 4.420 nan 0.000 0.219 658 P C 1.067 178.365 177.300 -0.003 0.000 1.146 658 P CA 1.454 64.534 63.100 -0.034 0.000 0.808 658 P CB -0.025 31.665 31.700 -0.016 0.000 0.779 659 A N -1.195 121.606 122.820 -0.030 0.000 2.218 659 A HA 0.416 4.726 4.320 -0.017 0.000 0.209 659 A C 1.217 178.900 177.584 0.165 0.000 1.168 659 A CA 0.240 52.313 52.037 0.060 0.000 0.804 659 A CB -0.776 18.276 19.000 0.088 0.000 0.834 659 A HN 0.216 nan 8.150 nan 0.000 0.482 660 A N -0.107 122.807 122.820 0.157 0.000 2.354 660 A HA 0.476 4.786 4.320 -0.017 0.000 0.269 660 A C 0.362 178.092 177.584 0.243 0.000 1.109 660 A CA -0.192 52.001 52.037 0.261 0.000 0.800 660 A CB 0.372 19.604 19.000 0.387 0.000 1.045 660 A HN 0.279 nan 8.150 nan 0.000 0.489 661 D N 0.500 121.044 120.400 0.240 0.000 2.338 661 D HA 0.107 4.737 4.640 -0.017 0.000 0.224 661 D C 0.089 176.599 176.300 0.350 0.000 0.967 661 D CA 0.746 54.940 54.000 0.323 0.000 0.896 661 D CB 0.263 41.166 40.800 0.171 0.000 1.028 661 D HN 0.366 nan 8.370 nan 0.000 0.493 662 L N 1.184 122.498 121.223 0.150 0.000 2.349 662 L HA 0.285 4.615 4.340 -0.017 0.000 0.278 662 L C -0.743 176.016 176.870 -0.185 0.000 0.996 662 L CA -0.314 54.540 54.840 0.024 0.000 0.825 662 L CB 2.021 44.058 42.059 -0.037 0.000 1.243 662 L HN -0.175 nan 8.230 nan 0.000 0.412 663 S N 4.465 119.965 115.700 -0.333 0.000 2.422 663 S HA 0.309 4.769 4.470 -0.017 0.000 0.298 663 S C -0.353 173.973 174.600 -0.457 0.000 1.118 663 S CA -0.680 57.073 58.200 -0.744 0.000 1.083 663 S CB 0.589 63.267 63.200 -0.871 0.000 0.971 663 S HN 0.557 nan 8.310 nan 0.000 0.478 664 E N 4.138 124.085 120.200 -0.423 0.000 2.089 664 E HA 0.205 4.545 4.350 -0.017 0.000 0.284 664 E C -0.514 175.973 176.600 -0.189 0.000 1.023 664 E CA -0.381 55.893 56.400 -0.211 0.000 0.819 664 E CB 0.975 30.582 29.700 -0.155 0.000 1.076 664 E HN 0.613 nan 8.360 nan 0.000 0.396 665 Q N 2.828 122.571 119.800 -0.094 0.000 3.122 665 Q HA 0.271 4.601 4.340 -0.017 0.000 0.282 665 Q C 0.543 176.524 176.000 -0.031 0.000 0.947 665 Q CA -0.118 55.642 55.803 -0.072 0.000 0.812 665 Q CB 0.207 28.912 28.738 -0.056 0.000 1.333 665 Q HN 0.611 nan 8.270 nan 0.000 0.430 666 I N -1.761 118.778 120.570 -0.052 0.000 3.569 666 I HA 0.284 4.444 4.170 -0.017 0.000 0.334 666 I C 0.366 176.429 176.117 -0.090 0.000 1.570 666 I CA -0.709 60.570 61.300 -0.036 0.000 1.082 666 I CB 0.529 38.517 38.000 -0.020 0.000 1.323 666 I HN -0.008 nan 8.210 nan 0.000 0.489 667 S N 0.364 116.014 115.700 -0.083 0.000 2.568 667 S HA 0.184 4.644 4.470 -0.017 0.000 0.282 667 S C 0.582 175.168 174.600 -0.024 0.000 1.338 667 S CA -0.247 57.928 58.200 -0.041 0.000 1.045 667 S CB 0.312 63.543 63.200 0.051 0.000 0.873 667 S HN 0.394 nan 8.310 nan 0.000 0.516 668 T N 2.901 117.475 114.554 0.034 0.000 2.908 668 T HA 0.369 4.709 4.350 -0.017 0.000 0.301 668 T C 0.782 175.496 174.700 0.023 0.000 1.019 668 T CA 0.267 62.392 62.100 0.043 0.000 1.152 668 T CB -0.075 68.889 68.868 0.160 0.000 0.966 668 T HN 1.011 nan 8.240 nan 0.000 0.540 669 A N 2.715 125.515 122.820 -0.033 0.000 2.565 669 A HA 0.467 4.777 4.320 -0.017 0.000 0.237 669 A C 1.657 179.235 177.584 -0.009 0.000 1.053 669 A CA 0.274 52.288 52.037 -0.039 0.000 0.755 669 A CB -0.781 18.181 19.000 -0.063 0.000 0.980 669 A HN 1.711 nan 8.150 nan 0.000 0.506 670 G N 1.048 109.842 108.800 -0.011 0.000 2.194 670 G HA2 -0.252 3.698 3.960 -0.017 0.000 0.236 670 G HA3 -0.252 3.698 3.960 -0.017 0.000 0.236 670 G C 0.903 175.793 174.900 -0.018 0.000 0.987 670 G CA 1.156 46.252 45.100 -0.008 0.000 0.635 670 G HN 1.998 nan 8.290 nan 0.000 0.520 671 T N -2.372 112.171 114.554 -0.018 0.000 3.018 671 T HA 0.423 4.763 4.350 -0.017 0.000 0.246 671 T C 0.725 175.273 174.700 -0.253 0.000 1.026 671 T CA 1.058 63.084 62.100 -0.124 0.000 1.081 671 T CB 0.604 69.449 68.868 -0.038 0.000 0.970 671 T HN 0.283 nan 8.240 nan 0.000 0.475 672 E N 1.495 121.675 120.200 -0.034 0.000 2.052 672 E HA 0.666 5.006 4.350 -0.017 0.000 0.283 672 E C 1.172 177.719 176.600 -0.089 0.000 1.071 672 E CA 0.044 56.459 56.400 0.025 0.000 0.851 672 E CB 0.799 30.574 29.700 0.125 0.000 1.066 672 E HN 0.327 nan 8.360 nan 0.000 0.396 673 A N 3.420 126.110 122.820 -0.216 0.000 1.892 673 A HA -0.225 4.085 4.320 -0.017 0.000 0.218 673 A C 1.988 179.445 177.584 -0.212 0.000 1.188 673 A CA 2.316 54.090 52.037 -0.437 0.000 0.631 673 A CB -0.264 18.263 19.000 -0.788 0.000 0.822 673 A HN 0.607 nan 8.150 nan 0.000 0.447 674 S N -3.955 111.680 115.700 -0.108 0.000 3.770 674 S HA 0.442 4.903 4.470 -0.017 0.000 0.238 674 S C 0.732 175.319 174.600 -0.021 0.000 1.143 674 S CA 1.413 59.595 58.200 -0.030 0.000 0.869 674 S CB -0.200 63.005 63.200 0.008 0.000 1.057 674 S HN 2.284 nan 8.310 nan 0.000 0.507 675 G N 0.488 109.280 108.800 -0.013 0.000 2.722 675 G HA2 -0.081 3.869 3.960 -0.017 0.000 0.686 675 G HA3 -0.081 3.869 3.960 -0.017 0.000 0.686 675 G C 0.268 175.149 174.900 -0.032 0.000 1.282 675 G CA 0.455 45.546 45.100 -0.016 0.000 0.817 675 G HN 1.342 nan 8.290 nan 0.000 0.605 676 T N -1.696 112.826 114.554 -0.052 0.000 2.992 676 T HA 0.385 4.725 4.350 -0.017 0.000 0.255 676 T C 2.395 177.001 174.700 -0.158 0.000 0.938 676 T CA 1.255 63.297 62.100 -0.096 0.000 0.895 676 T CB 0.249 69.054 68.868 -0.105 0.000 1.221 676 T HN 1.901 nan 8.240 nan 0.000 0.512 677 G N 3.287 112.019 108.800 -0.112 0.000 2.440 677 G HA2 -0.312 3.638 3.960 -0.017 0.000 0.218 677 G HA3 -0.312 3.638 3.960 -0.017 0.000 0.218 677 G C 1.466 176.419 174.900 0.088 0.000 1.154 677 G CA 1.294 46.348 45.100 -0.076 0.000 0.767 677 G HN 0.842 nan 8.290 nan 0.000 0.552 678 N N -0.035 118.704 118.700 0.065 0.000 2.096 678 N HA -0.155 4.575 4.740 -0.017 0.000 0.195 678 N C 1.437 176.963 175.510 0.026 0.000 1.017 678 N CA 0.863 53.948 53.050 0.058 0.000 0.870 678 N CB -0.378 38.092 38.487 -0.029 0.000 1.024 678 N HN 0.359 nan 8.380 nan 0.000 0.434 682 M N 0.286 119.975 119.600 0.148 0.000 2.108 682 M HA -0.168 4.302 4.480 -0.017 0.000 0.261 682 M C 1.983 178.337 176.300 0.089 0.000 1.066 682 M CA 1.841 57.199 55.300 0.095 0.000 1.107 682 M CB -0.083 32.566 32.600 0.081 0.000 1.356 682 M HN 0.314 nan 8.290 nan 0.000 0.406 683 L N 0.596 121.867 121.223 0.080 0.000 2.291 683 L HA -0.074 4.256 4.340 -0.017 0.000 0.214 683 L C 1.334 178.247 176.870 0.072 0.000 1.120 683 L CA 1.594 56.487 54.840 0.089 0.000 0.799 683 L CB -0.584 41.536 42.059 0.102 0.000 0.925 683 L HN 0.339 nan 8.230 nan 0.000 0.446 684 N N -0.287 118.446 118.700 0.056 0.000 2.214 684 N HA 0.172 4.902 4.740 -0.017 0.000 0.214 684 N C 0.780 176.326 175.510 0.060 0.000 1.132 684 N CA 0.784 53.862 53.050 0.046 0.000 0.856 684 N CB 0.598 39.089 38.487 0.006 0.000 1.020 684 N HN 0.369 nan 8.380 nan 0.000 0.509 685 G N 0.707 109.548 108.800 0.069 0.000 2.165 685 G HA2 -0.180 3.770 3.960 -0.017 0.000 0.226 685 G HA3 -0.180 3.770 3.960 -0.017 0.000 0.226 685 G C -0.076 174.892 174.900 0.113 0.000 1.035 685 G CA 0.137 45.277 45.100 0.067 0.000 0.744 685 G HN 0.505 nan 8.290 nan 0.000 0.501 686 A N -0.331 122.568 122.820 0.131 0.000 2.325 686 A HA 0.891 5.201 4.320 -0.017 0.000 0.333 686 A C 0.404 177.998 177.584 0.016 0.000 1.155 686 A CA -0.671 51.461 52.037 0.159 0.000 0.814 686 A CB 1.068 20.221 19.000 0.254 0.000 1.206 686 A HN 0.741 nan 8.150 nan 0.000 0.482 687 L N 0.797 121.994 121.223 -0.044 0.000 2.399 687 L HA 0.434 4.764 4.340 -0.017 0.000 0.266 687 L C 0.197 176.955 176.870 -0.186 0.000 1.114 687 L CA -0.306 54.414 54.840 -0.201 0.000 0.804 687 L CB 1.426 43.286 42.059 -0.332 0.000 1.146 687 L HN 0.676 nan 8.230 nan 0.000 0.451 688 T N 2.928 117.247 114.554 -0.391 0.000 2.770 688 T HA 0.436 4.776 4.350 -0.017 0.000 0.283 688 T C -0.337 174.230 174.700 -0.222 0.000 0.988 688 T CA -0.246 61.590 62.100 -0.439 0.000 0.957 688 T CB 1.280 69.675 68.868 -0.788 0.000 0.930 688 T HN 0.339 nan 8.240 nan 0.000 0.443 689 I N 3.265 123.800 120.570 -0.058 0.000 2.321 689 I HA 0.695 4.855 4.170 -0.017 0.000 0.291 689 I C 0.160 176.416 176.117 0.232 0.000 0.998 689 I CA 0.096 61.478 61.300 0.137 0.000 1.227 689 I CB 0.318 38.345 38.000 0.045 0.000 1.368 689 I HN 0.767 nan 8.210 nan 0.000 0.466 690 G N 4.019 113.031 108.800 0.353 0.000 2.646 690 G HA2 0.449 4.399 3.960 -0.017 0.000 0.291 690 G HA3 0.449 4.399 3.960 -0.017 0.000 0.291 690 G C -0.892 173.934 174.900 -0.123 0.000 1.445 690 G CA -0.492 44.717 45.100 0.183 0.000 0.814 690 G HN 0.577 nan 8.290 nan 0.000 0.495 691 T N -1.036 113.308 114.554 -0.351 0.000 2.849 691 T HA 0.476 4.816 4.350 -0.017 0.000 0.284 691 T C 0.818 175.401 174.700 -0.195 0.000 1.004 691 T CA -0.680 61.143 62.100 -0.461 0.000 1.021 691 T CB 1.099 69.713 68.868 -0.424 0.000 1.013 691 T HN 0.269 nan 8.240 nan 0.000 0.527 692 M N 2.943 122.439 119.600 -0.173 0.000 3.442 692 M HA 0.288 4.758 4.480 -0.017 0.000 0.232 692 M C -0.394 175.854 176.300 -0.087 0.000 1.508 692 M CA 0.058 55.294 55.300 -0.106 0.000 1.647 692 M CB -1.830 30.715 32.600 -0.090 0.000 1.126 692 M HN 0.731 nan 8.290 nan 0.000 0.557 693 D N -0.027 120.328 120.400 -0.075 0.000 2.671 693 D HA 0.673 5.303 4.640 -0.017 0.000 0.232 693 D C 0.733 177.013 176.300 -0.034 0.000 1.114 693 D CA 0.718 54.688 54.000 -0.049 0.000 0.858 693 D CB 1.717 42.489 40.800 -0.046 0.000 1.544 693 D HN 0.594 nan 8.370 nan 0.000 0.471 694 G N 1.772 110.561 108.800 -0.018 0.000 2.627 694 G HA2 -0.272 3.678 3.960 -0.017 0.000 0.312 694 G HA3 -0.272 3.678 3.960 -0.017 0.000 0.312 694 G C 1.076 175.969 174.900 -0.011 0.000 1.299 694 G CA 1.192 46.286 45.100 -0.011 0.000 0.989 694 G HN 1.056 nan 8.290 nan 0.000 0.547 695 A N -0.419 122.388 122.820 -0.022 0.000 2.119 695 A HA 0.072 4.382 4.320 -0.017 0.000 0.217 695 A C 2.138 179.660 177.584 -0.105 0.000 1.153 695 A CA 1.912 53.928 52.037 -0.035 0.000 0.692 695 A CB -0.468 18.493 19.000 -0.065 0.000 0.799 695 A HN 0.641 nan 8.150 nan 0.000 0.458 696 N N 0.622 119.269 118.700 -0.088 0.000 2.091 696 N HA -0.168 4.562 4.740 -0.017 0.000 0.193 696 N C 1.615 177.008 175.510 -0.195 0.000 1.021 696 N CA 1.676 54.671 53.050 -0.091 0.000 0.862 696 N CB -0.696 37.785 38.487 -0.009 0.000 1.018 696 N HN 0.290 nan 8.380 nan 0.000 0.429 697 V N 1.243 121.081 119.914 -0.127 0.000 2.287 697 V HA -0.229 3.881 4.120 -0.017 0.000 0.248 697 V C 2.005 178.026 176.094 -0.122 0.000 1.053 697 V CA 1.762 63.985 62.300 -0.128 0.000 1.027 697 V CB -0.522 31.261 31.823 -0.067 0.000 0.646 697 V HN 0.366 nan 8.190 nan 0.000 0.447 698 E N -0.639 119.542 120.200 -0.031 0.000 2.152 698 E HA -0.135 4.205 4.350 -0.017 0.000 0.192 698 E C 2.225 178.929 176.600 0.172 0.000 0.983 698 E CA 1.059 57.518 56.400 0.098 0.000 0.818 698 E CB -0.189 29.656 29.700 0.242 0.000 0.758 698 E HN 0.544 nan 8.360 nan 0.000 0.467 699 M N 0.488 120.070 119.600 -0.030 0.000 2.086 699 M HA -0.160 4.310 4.480 -0.017 0.000 0.261 699 M C 2.504 178.551 176.300 -0.422 0.000 1.067 699 M CA 1.574 56.769 55.300 -0.176 0.000 1.116 699 M CB -0.219 32.170 32.600 -0.352 0.000 1.348 699 M HN 0.143 nan 8.290 nan 0.000 0.407 700 A N -0.091 122.229 122.820 -0.833 0.000 1.902 700 A HA -0.222 4.088 4.320 -0.017 0.000 0.217 700 A C 1.970 179.349 177.584 -0.342 0.000 1.181 700 A CA 1.984 53.474 52.037 -0.912 0.000 0.623 700 A CB -0.820 17.701 19.000 -0.798 0.000 0.818 700 A HN 0.589 nan 8.150 nan 0.000 0.443 701 E N -0.360 119.717 120.200 -0.206 0.000 2.077 701 E HA -0.226 4.114 4.350 -0.017 0.000 0.193 701 E C 1.811 178.381 176.600 -0.050 0.000 0.989 701 E CA 1.363 57.705 56.400 -0.096 0.000 0.800 701 E CB -0.083 29.582 29.700 -0.058 0.000 0.746 701 E HN 0.558 nan 8.360 nan 0.000 0.452 702 E N 0.013 120.210 120.200 -0.005 0.000 2.072 702 E HA -0.135 4.205 4.350 -0.017 0.000 0.191 702 E C 1.867 178.485 176.600 0.030 0.000 0.985 702 E CA 1.145 57.564 56.400 0.032 0.000 0.801 702 E CB -0.158 29.615 29.700 0.122 0.000 0.750 702 E HN 0.381 nan 8.360 nan 0.000 0.452 703 A N 0.358 123.195 122.820 0.029 0.000 2.030 703 A HA 0.337 4.647 4.320 -0.017 0.000 0.215 703 A C 1.063 178.657 177.584 0.017 0.000 1.164 703 A CA 1.102 53.172 52.037 0.054 0.000 0.697 703 A CB 0.049 19.134 19.000 0.143 0.000 0.827 703 A HN 0.254 nan 8.150 nan 0.000 0.457 704 G N -0.527 108.258 108.800 -0.026 0.000 3.067 704 G HA2 -0.085 3.865 3.960 -0.017 0.000 0.686 704 G HA3 -0.085 3.865 3.960 -0.017 0.000 0.686 704 G C -0.050 174.829 174.900 -0.036 0.000 1.119 704 G CA -0.005 45.075 45.100 -0.033 0.000 0.790 704 G HN 0.235 nan 8.290 nan 0.000 0.605 705 E N 0.892 121.060 120.200 -0.053 0.000 2.267 705 E HA -0.168 4.172 4.350 -0.017 0.000 0.197 705 E C 1.981 178.570 176.600 -0.020 0.000 0.998 705 E CA 1.712 58.089 56.400 -0.039 0.000 0.830 705 E CB 0.104 29.780 29.700 -0.040 0.000 0.751 705 E HN 0.767 nan 8.360 nan 0.000 0.491 706 E N 0.595 120.772 120.200 -0.039 0.000 2.347 706 E HA -0.075 4.265 4.350 -0.017 0.000 0.196 706 E C 0.961 177.479 176.600 -0.136 0.000 1.008 706 E CA 0.566 56.921 56.400 -0.074 0.000 0.852 706 E CB 0.015 29.681 29.700 -0.055 0.000 0.783 706 E HN 0.125 nan 8.360 nan 0.000 0.505 707 N N -0.276 118.375 118.700 -0.081 0.000 2.251 707 N HA 0.153 4.883 4.740 -0.017 0.000 0.217 707 N C -1.029 174.418 175.510 -0.104 0.000 1.124 707 N CA 0.111 53.091 53.050 -0.117 0.000 0.843 707 N CB 0.349 38.820 38.487 -0.027 0.000 1.024 707 N HN 0.045 nan 8.380 nan 0.000 0.501 708 F N -0.407 119.322 119.950 -0.369 0.000 2.591 708 F HA 0.369 4.886 4.527 -0.018 0.000 0.309 708 F C -0.967 174.622 175.800 -0.352 0.000 1.098 708 F CA -1.047 56.779 58.000 -0.290 0.000 0.937 708 F CB 1.305 40.228 39.000 -0.128 0.000 1.250 708 F HN -0.216 nan 8.300 nan 0.000 0.447 709 F N 5.643 125.591 119.950 -0.002 0.000 2.425 709 F HA 0.432 4.949 4.527 -0.016 0.000 0.354 709 F C -0.044 175.886 175.800 0.218 0.000 1.162 709 F CA -0.390 57.653 58.000 0.072 0.000 1.250 709 F CB -0.079 38.912 39.000 -0.014 0.000 1.579 709 F HN 0.078 nan 8.300 nan 0.000 0.589 710 I N 3.720 124.501 120.570 0.352 0.000 2.396 710 I HA 0.377 4.537 4.170 -0.017 0.000 0.292 710 I C -0.228 176.083 176.117 0.323 0.000 0.999 710 I CA -0.610 60.864 61.300 0.289 0.000 1.310 710 I CB 0.823 38.919 38.000 0.159 0.000 1.404 710 I HN 0.328 nan 8.210 nan 0.000 0.496 711 F N 3.340 123.358 119.950 0.112 0.000 2.685 711 F HA 0.939 5.456 4.527 -0.017 0.000 0.315 711 F C -0.021 175.819 175.800 0.066 0.000 1.126 711 F CA -0.685 57.370 58.000 0.092 0.000 0.950 711 F CB 1.027 40.094 39.000 0.112 0.000 1.360 711 F HN 0.777 nan 8.300 nan 0.000 0.469 712 G N 0.922 109.789 108.800 0.112 0.000 2.710 712 G HA2 -0.043 3.907 3.960 -0.017 0.000 0.668 712 G HA3 -0.043 3.907 3.960 -0.017 0.000 0.668 712 G C -0.985 173.892 174.900 -0.038 0.000 1.320 712 G CA -0.683 44.425 45.100 0.013 0.000 0.860 712 G HN 0.947 nan 8.290 nan 0.000 0.538 713 M N 1.046 120.633 119.600 -0.022 0.000 2.248 713 M HA 0.208 4.678 4.480 -0.017 0.000 0.345 713 M C 1.251 177.517 176.300 -0.056 0.000 1.243 713 M CA 0.029 55.321 55.300 -0.014 0.000 1.090 713 M CB 0.289 32.887 32.600 -0.002 0.000 1.683 713 M HN 0.526 nan 8.290 nan 0.000 0.450 714 R N 1.918 122.397 120.500 -0.035 0.000 2.541 714 R HA 0.243 4.573 4.340 -0.017 0.000 0.263 714 R C 1.251 177.532 176.300 -0.030 0.000 1.112 714 R CA -0.554 55.521 56.100 -0.042 0.000 1.170 714 R CB -0.147 30.135 30.300 -0.030 0.000 1.167 714 R HN 0.574 nan 8.270 nan 0.000 0.582 715 V N 1.492 121.387 119.914 -0.031 0.000 2.317 715 V HA -0.308 3.802 4.120 -0.017 0.000 0.251 715 V C 1.974 178.059 176.094 -0.016 0.000 1.065 715 V CA 2.205 64.491 62.300 -0.024 0.000 1.049 715 V CB -0.502 31.305 31.823 -0.026 0.000 0.651 715 V HN 0.632 nan 8.190 nan 0.000 0.450 716 E N 0.072 120.265 120.200 -0.012 0.000 2.077 716 E HA -0.189 4.151 4.350 -0.017 0.000 0.193 716 E C 2.007 178.611 176.600 0.007 0.000 0.989 716 E CA 1.467 57.864 56.400 -0.004 0.000 0.800 716 E CB -0.416 29.282 29.700 -0.003 0.000 0.746 716 E HN 0.637 nan 8.360 nan 0.000 0.452 717 D N -0.069 120.337 120.400 0.011 0.000 2.144 717 D HA -0.116 4.514 4.640 -0.017 0.000 0.199 717 D C 2.003 178.319 176.300 0.027 0.000 0.984 717 D CA 0.996 55.012 54.000 0.027 0.000 0.834 717 D CB -0.063 40.757 40.800 0.033 0.000 0.955 717 D HN 0.063 nan 8.370 nan 0.000 0.465 718 V N 1.896 121.814 119.914 0.006 0.000 2.295 718 V HA -0.224 3.886 4.120 -0.017 0.000 0.246 718 V C 2.023 178.118 176.094 0.001 0.000 1.049 718 V CA 1.725 64.021 62.300 -0.007 0.000 1.024 718 V CB -0.461 31.348 31.823 -0.024 0.000 0.648 718 V HN 0.020 nan 8.190 nan 0.000 0.447 719 D N -0.094 120.306 120.400 0.000 0.000 2.116 719 D HA -0.185 4.445 4.640 -0.017 0.000 0.193 719 D C 2.395 178.706 176.300 0.018 0.000 0.998 719 D CA 1.443 55.445 54.000 0.003 0.000 0.836 719 D CB -0.297 40.502 40.800 -0.002 0.000 0.951 719 D HN 0.341 nan 8.370 nan 0.000 0.449 720 R N 0.076 120.592 120.500 0.026 0.000 2.083 720 R HA -0.076 4.254 4.340 -0.017 0.000 0.237 720 R C 2.537 178.872 176.300 0.059 0.000 1.137 720 R CA 0.682 56.806 56.100 0.040 0.000 0.951 720 R CB -0.486 29.840 30.300 0.044 0.000 0.851 720 R HN 0.206 nan 8.270 nan 0.000 0.434 721 L N 0.641 121.908 121.223 0.074 0.000 2.046 721 L HA -0.229 4.101 4.340 -0.017 0.000 0.208 721 L C 1.466 178.404 176.870 0.113 0.000 1.077 721 L CA 1.434 56.345 54.840 0.118 0.000 0.747 721 L CB -0.305 41.836 42.059 0.137 0.000 0.896 721 L HN 0.264 nan 8.230 nan 0.000 0.432 722 D N -0.682 119.758 120.400 0.067 0.000 2.178 722 D HA -0.189 4.441 4.640 -0.017 0.000 0.202 722 D C 2.217 178.548 176.300 0.052 0.000 0.974 722 D CA 0.942 54.974 54.000 0.054 0.000 0.841 722 D CB 0.022 40.832 40.800 0.017 0.000 0.953 722 D HN 0.442 nan 8.370 nan 0.000 0.478 723 Q N 0.212 120.038 119.800 0.044 0.000 1.993 723 Q HA -0.089 4.241 4.340 -0.017 0.000 0.202 723 Q C 2.313 178.340 176.000 0.045 0.000 0.984 723 Q CA 1.107 56.932 55.803 0.037 0.000 0.837 723 Q CB -0.024 28.732 28.738 0.031 0.000 0.902 723 Q HN 0.186 nan 8.270 nan 0.000 0.423 724 R N -0.418 120.116 120.500 0.056 0.000 2.120 724 R HA -0.004 4.326 4.340 -0.017 0.000 0.234 724 R C 0.481 176.820 176.300 0.066 0.000 1.123 724 R CA 0.742 56.876 56.100 0.058 0.000 0.975 724 R CB -0.052 30.288 30.300 0.067 0.000 0.866 724 R HN 0.328 nan 8.270 nan 0.000 0.446 725 G N -0.190 108.664 108.800 0.090 0.000 3.067 725 G HA2 -0.249 3.701 3.960 -0.017 0.000 0.686 725 G HA3 -0.249 3.701 3.960 -0.017 0.000 0.686 725 G C -1.440 173.559 174.900 0.164 0.000 1.119 725 G CA -0.770 44.394 45.100 0.107 0.000 0.790 725 G HN 0.233 nan 8.290 nan 0.000 0.605 726 Y N 3.546 123.882 120.300 0.059 0.000 2.452 726 Y HA 0.534 5.074 4.550 -0.017 0.000 0.348 726 Y C 0.549 176.509 175.900 0.101 0.000 0.985 726 Y CA -0.740 57.415 58.100 0.090 0.000 1.214 726 Y CB 0.785 39.280 38.460 0.058 0.000 1.136 726 Y HN 0.583 nan 8.280 nan 0.000 0.523 727 N N 5.127 123.631 118.700 -0.327 0.000 2.558 727 N HA 0.334 5.064 4.740 -0.017 0.000 0.242 727 N C 0.346 175.624 175.510 -0.387 0.000 0.979 727 N CA 0.211 53.074 53.050 -0.312 0.000 0.931 727 N CB 1.157 39.581 38.487 -0.105 0.000 1.122 727 N HN 0.882 nan 8.380 nan 0.000 0.508 728 A N 3.019 125.519 122.820 -0.533 0.000 1.972 728 A HA -0.221 4.089 4.320 -0.017 0.000 0.219 728 A C 2.016 179.733 177.584 0.221 0.000 1.169 728 A CA 1.304 53.233 52.037 -0.181 0.000 0.635 728 A CB -0.384 18.412 19.000 -0.342 0.000 0.810 728 A HN 0.775 nan 8.150 nan 0.000 0.446 729 Q N 0.207 120.039 119.800 0.053 0.000 2.135 729 Q HA -0.238 4.092 4.340 -0.017 0.000 0.204 729 Q C 1.891 177.972 176.000 0.135 0.000 0.981 729 Q CA 2.283 58.135 55.803 0.082 0.000 0.856 729 Q CB -0.360 28.380 28.738 0.003 0.000 0.902 729 Q HN 0.774 nan 8.270 nan 0.000 0.425 730 E N -1.351 118.870 120.200 0.035 0.000 2.070 730 E HA -0.263 4.077 4.350 -0.017 0.000 0.197 730 E C 1.573 178.116 176.600 -0.095 0.000 1.004 730 E CA 1.653 57.999 56.400 -0.089 0.000 0.805 730 E CB -0.250 29.292 29.700 -0.263 0.000 0.744 730 E HN 0.600 nan 8.360 nan 0.000 0.451 731 Y N -1.222 119.155 120.300 0.130 0.000 2.220 731 Y HA -0.196 4.344 4.550 -0.017 0.000 0.291 731 Y C 2.224 178.132 175.900 0.014 0.000 1.129 731 Y CA 1.507 59.670 58.100 0.105 0.000 1.161 731 Y CB -0.612 37.971 38.460 0.204 0.000 0.997 731 Y HN 0.230 nan 8.280 nan 0.000 0.522 732 Y N 1.351 121.694 120.300 0.072 0.000 2.165 732 Y HA -0.274 4.266 4.550 -0.017 0.000 0.286 732 Y C 1.790 177.663 175.900 -0.045 0.000 1.155 732 Y CA 1.851 59.915 58.100 -0.060 0.000 1.164 732 Y CB -0.413 38.071 38.460 0.040 0.000 0.978 732 Y HN 0.092 nan 8.280 nan 0.000 0.513 733 D N -0.379 120.142 120.400 0.203 0.000 2.224 733 D HA -0.085 4.545 4.640 -0.017 0.000 0.205 733 D C 1.838 178.129 176.300 -0.015 0.000 0.965 733 D CA 1.144 55.201 54.000 0.096 0.000 0.852 733 D CB -0.085 40.779 40.800 0.106 0.000 0.947 733 D HN 0.479 nan 8.370 nan 0.000 0.494 734 R N -0.283 120.202 120.500 -0.025 0.000 2.308 734 R HA 0.290 4.620 4.340 -0.017 0.000 0.202 734 R C 0.355 176.635 176.300 -0.033 0.000 0.898 734 R CA 0.087 56.168 56.100 -0.031 0.000 1.046 734 R CB 1.236 31.514 30.300 -0.036 0.000 1.026 734 R HN 0.134 nan 8.270 nan 0.000 0.512 735 I N 2.221 122.750 120.570 -0.068 0.000 2.464 735 I HA 0.227 4.387 4.170 -0.017 0.000 0.277 735 I C -1.988 174.028 176.117 -0.168 0.000 1.040 735 I CA -2.287 58.970 61.300 -0.072 0.000 1.153 735 I CB 2.109 40.091 38.000 -0.030 0.000 1.274 735 I HN -0.283 nan 8.210 nan 0.000 0.469 736 P HA -0.114 nan 4.420 nan 0.000 0.218 736 P C 1.171 178.369 177.300 -0.171 0.000 1.149 736 P CA 1.177 64.179 63.100 -0.163 0.000 0.817 736 P CB 0.324 31.962 31.700 -0.102 0.000 0.785 737 E N -0.933 119.200 120.200 -0.112 0.000 2.150 737 E HA -0.143 4.197 4.350 -0.017 0.000 0.193 737 E C 1.774 178.260 176.600 -0.190 0.000 0.985 737 E CA 0.618 56.968 56.400 -0.084 0.000 0.814 737 E CB -0.479 29.245 29.700 0.039 0.000 0.752 737 E HN 0.138 nan 8.360 nan 0.000 0.466 738 L N 1.012 122.022 121.223 -0.354 0.000 2.072 738 L HA -0.087 4.243 4.340 -0.017 0.000 0.205 738 L C 2.359 178.942 176.870 -0.480 0.000 1.079 738 L CA 1.504 55.978 54.840 -0.609 0.000 0.752 738 L CB -0.265 41.289 42.059 -0.841 0.000 0.906 738 L HN -0.104 nan 8.230 nan 0.000 0.436 739 R N -0.802 119.386 120.500 -0.520 0.000 2.083 739 R HA -0.256 4.074 4.340 -0.017 0.000 0.237 739 R C 2.400 178.511 176.300 -0.314 0.000 1.137 739 R CA 2.113 57.819 56.100 -0.658 0.000 0.951 739 R CB -0.380 29.484 30.300 -0.727 0.000 0.851 739 R HN 0.575 nan 8.270 nan 0.000 0.434 740 Q N 0.402 120.061 119.800 -0.236 0.000 2.077 740 Q HA -0.210 4.121 4.340 -0.017 0.000 0.206 740 Q C 2.092 178.032 176.000 -0.100 0.000 0.989 740 Q CA 2.171 57.886 55.803 -0.148 0.000 0.853 740 Q CB -0.146 28.509 28.738 -0.138 0.000 0.907 740 Q HN 0.484 nan 8.270 nan 0.000 0.418 741 I N 0.547 121.055 120.570 -0.103 0.000 2.179 741 I HA -0.293 3.867 4.170 -0.017 0.000 0.242 741 I C 2.146 178.281 176.117 0.030 0.000 1.088 741 I CA 0.698 61.982 61.300 -0.027 0.000 1.357 741 I CB -0.362 37.598 38.000 -0.066 0.000 1.051 741 I HN 0.320 nan 8.210 nan 0.000 0.409 742 I N 0.882 121.460 120.570 0.014 0.000 2.226 742 I HA -0.252 3.908 4.170 -0.017 0.000 0.245 742 I C 2.478 178.688 176.117 0.155 0.000 1.100 742 I CA 1.633 63.015 61.300 0.137 0.000 1.374 742 I CB -1.343 36.830 38.000 0.288 0.000 1.057 742 I HN 0.348 nan 8.210 nan 0.000 0.413 743 E N 0.335 120.599 120.200 0.106 0.000 2.077 743 E HA -0.244 4.096 4.350 -0.017 0.000 0.193 743 E C 2.175 178.832 176.600 0.095 0.000 0.989 743 E CA 1.036 57.493 56.400 0.096 0.000 0.800 743 E CB -0.151 29.571 29.700 0.037 0.000 0.746 743 E HN 0.589 nan 8.360 nan 0.000 0.452 744 Q N 0.550 120.391 119.800 0.069 0.000 2.050 744 Q HA -0.148 4.182 4.340 -0.017 0.000 0.202 744 Q C 2.399 178.574 176.000 0.293 0.000 0.980 744 Q CA 1.074 56.940 55.803 0.106 0.000 0.840 744 Q CB -0.094 28.651 28.738 0.011 0.000 0.898 744 Q HN 0.292 nan 8.270 nan 0.000 0.424 745 L N -0.019 121.384 121.223 0.299 0.000 1.989 745 L HA -0.237 4.093 4.340 -0.017 0.000 0.211 745 L C 2.506 179.555 176.870 0.299 0.000 1.071 745 L CA 1.181 56.211 54.840 0.317 0.000 0.749 745 L CB -0.506 41.665 42.059 0.186 0.000 0.890 745 L HN 0.181 nan 8.230 nan 0.000 0.431 746 S N -0.117 115.716 115.700 0.221 0.000 2.353 746 S HA -0.188 4.272 4.470 -0.017 0.000 0.222 746 S C 2.076 176.779 174.600 0.172 0.000 1.035 746 S CA 1.726 60.038 58.200 0.185 0.000 1.025 746 S CB -0.348 62.941 63.200 0.150 0.000 0.902 746 S HN 0.622 nan 8.310 nan 0.000 0.440 747 S N 0.426 116.225 115.700 0.164 0.000 2.515 747 S HA 0.261 4.721 4.470 -0.017 0.000 0.231 747 S C 1.433 176.122 174.600 0.148 0.000 0.987 747 S CA 0.819 59.102 58.200 0.137 0.000 0.936 747 S CB -0.203 63.067 63.200 0.116 0.000 0.766 747 S HN 0.934 nan 8.310 nan 0.000 0.528 748 G N 0.461 109.383 108.800 0.203 0.000 2.131 748 G HA2 -0.262 3.688 3.960 -0.017 0.000 0.201 748 G HA3 -0.262 3.688 3.960 -0.017 0.000 0.201 748 G C 0.144 175.139 174.900 0.159 0.000 1.000 748 G CA 0.071 45.284 45.100 0.188 0.000 0.680 748 G HN 0.503 nan 8.290 nan 0.000 0.514 749 F N 0.310 120.262 119.950 0.004 0.000 2.161 749 F HA 0.154 4.671 4.527 -0.017 0.000 0.300 749 F C 1.912 177.514 175.800 -0.331 0.000 1.089 749 F CA 2.039 59.915 58.000 -0.206 0.000 1.282 749 F CB -0.042 38.753 39.000 -0.343 0.000 1.010 749 F HN 0.174 nan 8.300 nan 0.000 0.485 750 F N -0.243 119.799 119.950 0.153 0.000 2.727 750 F HA 0.183 4.700 4.527 -0.017 0.000 0.302 750 F C 0.727 176.612 175.800 0.143 0.000 1.097 750 F CA 0.248 58.288 58.000 0.066 0.000 1.330 750 F CB -0.159 38.891 39.000 0.083 0.000 1.084 750 F HN -0.039 nan 8.300 nan 0.000 0.578 751 S N -1.818 114.027 115.700 0.242 0.000 2.486 751 S HA 0.316 4.776 4.470 -0.017 0.000 0.144 751 S C -2.405 172.217 174.600 0.038 0.000 1.542 751 S CA -1.044 57.236 58.200 0.133 0.000 1.262 751 S CB 0.825 64.079 63.200 0.090 0.000 1.462 751 S HN -0.171 nan 8.310 nan 0.000 0.381 752 P HA -0.050 nan 4.420 nan 0.000 0.218 752 P C 0.943 178.233 177.300 -0.017 0.000 1.148 752 P CA 1.193 64.270 63.100 -0.039 0.000 0.822 752 P CB 0.102 31.753 31.700 -0.083 0.000 0.784 753 K N -1.500 118.891 120.400 -0.014 0.000 2.356 753 K HA 0.094 4.404 4.320 -0.017 0.000 0.195 753 K C 0.574 177.171 176.600 -0.005 0.000 1.037 753 K CA 0.528 56.810 56.287 -0.010 0.000 1.014 753 K CB 0.277 32.770 32.500 -0.010 0.000 0.815 753 K HN 0.209 nan 8.250 nan 0.000 0.507 754 Q N -0.094 119.702 119.800 -0.008 0.000 3.064 754 Q HA 0.164 4.494 4.340 -0.017 0.000 0.258 754 Q C -2.383 173.608 176.000 -0.014 0.000 0.972 754 Q CA -1.605 54.189 55.803 -0.015 0.000 0.761 754 Q CB 1.493 30.213 28.738 -0.029 0.000 1.281 754 Q HN -0.092 nan 8.270 nan 0.000 0.455 755 P HA -0.217 nan 4.420 nan 0.000 0.218 755 P C 0.592 177.927 177.300 0.058 0.000 1.146 755 P CA 1.403 64.531 63.100 0.047 0.000 0.813 755 P CB 0.210 31.938 31.700 0.047 0.000 0.778 756 D N -1.282 119.135 120.400 0.028 0.000 2.358 756 D HA -0.005 4.625 4.640 -0.017 0.000 0.224 756 D C 1.559 177.853 176.300 -0.010 0.000 1.123 756 D CA -0.258 53.765 54.000 0.039 0.000 0.833 756 D CB -0.614 40.211 40.800 0.041 0.000 0.946 756 D HN 0.020 nan 8.370 nan 0.000 0.505 757 L N -0.123 121.027 121.223 -0.123 0.000 2.081 757 L HA -0.070 4.260 4.340 -0.017 0.000 0.212 757 L C 1.159 177.785 176.870 -0.406 0.000 1.080 757 L CA 1.681 56.316 54.840 -0.343 0.000 0.754 757 L CB -0.576 41.093 42.059 -0.650 0.000 0.893 757 L HN 0.006 nan 8.230 nan 0.000 0.433 758 F N -0.979 119.028 119.950 0.094 0.000 2.639 758 F HA 0.130 4.648 4.527 -0.016 0.000 0.300 758 F C 1.828 177.680 175.800 0.086 0.000 1.109 758 F CA -0.138 57.908 58.000 0.076 0.000 1.335 758 F CB -0.250 38.785 39.000 0.058 0.000 1.014 758 F HN 0.078 nan 8.300 nan 0.000 0.537 759 K N -0.306 120.210 120.400 0.193 0.000 2.103 759 K HA -0.201 4.109 4.320 -0.017 0.000 0.207 759 K C 1.051 177.752 176.600 0.167 0.000 1.048 759 K CA 2.058 58.442 56.287 0.162 0.000 0.930 759 K CB -0.309 32.263 32.500 0.120 0.000 0.716 759 K HN 0.041 nan 8.250 nan 0.000 0.444 760 D N 1.249 121.761 120.400 0.188 0.000 2.097 760 D HA -0.110 4.520 4.640 -0.017 0.000 0.195 760 D C 2.028 178.430 176.300 0.169 0.000 0.989 760 D CA 1.296 55.421 54.000 0.209 0.000 0.827 760 D CB -0.171 40.801 40.800 0.287 0.000 0.966 760 D HN 0.291 nan 8.370 nan 0.000 0.456 761 I N 0.380 121.049 120.570 0.166 0.000 2.142 761 I HA -0.232 3.928 4.170 -0.017 0.000 0.240 761 I C 2.461 178.609 176.117 0.053 0.000 1.078 761 I CA 0.671 62.032 61.300 0.100 0.000 1.343 761 I CB -0.310 37.753 38.000 0.105 0.000 1.046 761 I HN -0.100 nan 8.210 nan 0.000 0.405 762 V N 1.258 121.228 119.914 0.094 0.000 2.295 762 V HA -0.312 3.798 4.120 -0.017 0.000 0.246 762 V C 2.258 178.344 176.094 -0.012 0.000 1.049 762 V CA 2.471 64.811 62.300 0.067 0.000 1.024 762 V CB -0.969 30.922 31.823 0.114 0.000 0.648 762 V HN 0.491 nan 8.190 nan 0.000 0.447 763 N N -0.213 118.510 118.700 0.039 0.000 2.120 763 N HA -0.218 4.512 4.740 -0.017 0.000 0.188 763 N C 1.860 177.291 175.510 -0.133 0.000 1.024 763 N CA 1.814 54.906 53.050 0.070 0.000 0.852 763 N CB -0.275 38.343 38.487 0.217 0.000 1.003 763 N HN 0.330 nan 8.380 nan 0.000 0.424 764 M N -0.146 119.295 119.600 -0.266 0.000 2.067 764 M HA -0.117 4.353 4.480 -0.017 0.000 0.260 764 M C 1.436 177.436 176.300 -0.499 0.000 1.069 764 M CA 1.340 56.200 55.300 -0.734 0.000 1.117 764 M CB -0.698 31.719 32.600 -0.305 0.000 1.334 764 M HN 0.225 nan 8.290 nan 0.000 0.407 765 L N 0.667 121.700 121.223 -0.317 0.000 2.042 765 L HA -0.218 4.112 4.340 -0.017 0.000 0.210 765 L C 2.480 179.010 176.870 -0.568 0.000 1.076 765 L CA 1.667 56.252 54.840 -0.424 0.000 0.749 765 L CB -1.205 40.669 42.059 -0.309 0.000 0.893 765 L HN 0.355 nan 8.230 nan 0.000 0.432 766 M N -1.831 117.494 119.600 -0.458 0.000 2.236 766 M HA -0.082 4.388 4.480 -0.017 0.000 0.266 766 M C 1.827 177.765 176.300 -0.604 0.000 1.070 766 M CA 1.470 56.427 55.300 -0.573 0.000 1.137 766 M CB -0.790 31.359 32.600 -0.752 0.000 1.378 766 M HN 0.339 nan 8.290 nan 0.000 0.426 767 H N -2.163 116.840 119.070 -0.112 0.000 3.205 767 H HA 0.195 4.741 4.556 -0.016 0.000 0.252 767 H C 0.131 175.516 175.328 0.095 0.000 1.015 767 H CA 0.585 56.636 56.048 0.006 0.000 1.192 767 H CB 0.180 30.003 29.762 0.102 0.000 1.474 767 H HN 0.585 nan 8.280 nan 0.000 0.484 768 H N -1.438 117.684 119.070 0.088 0.000 2.825 768 H HA 0.288 4.834 4.556 -0.017 0.000 0.226 768 H C -1.171 174.185 175.328 0.046 0.000 1.414 768 H CA -0.595 55.497 56.048 0.073 0.000 1.198 768 H CB 0.016 29.823 29.762 0.076 0.000 2.013 768 H HN -0.145 nan 8.280 nan 0.000 0.530 769 D N 1.530 121.932 120.400 0.003 0.000 2.441 769 D HA 0.128 4.758 4.640 -0.017 0.000 0.221 769 D C 0.910 177.159 176.300 -0.085 0.000 1.156 769 D CA -0.463 53.522 54.000 -0.024 0.000 0.896 769 D CB 0.724 41.494 40.800 -0.049 0.000 1.028 769 D HN 0.494 nan 8.370 nan 0.000 0.509 770 R N 2.234 122.600 120.500 -0.223 0.000 2.241 770 R HA -0.083 4.247 4.340 -0.017 0.000 0.224 770 R C 0.620 176.425 176.300 -0.825 0.000 1.101 770 R CA 0.976 56.723 56.100 -0.589 0.000 0.995 770 R CB 0.031 29.782 30.300 -0.916 0.000 0.870 770 R HN 0.411 nan 8.270 nan 0.000 0.463 771 F N 0.151 120.054 119.950 -0.078 0.000 2.661 771 F HA 0.276 4.793 4.527 -0.017 0.000 0.306 771 F C 0.065 175.742 175.800 -0.206 0.000 1.094 771 F CA -0.667 57.275 58.000 -0.097 0.000 1.254 771 F CB 0.277 39.278 39.000 0.001 0.000 1.040 771 F HN -0.247 nan 8.300 nan 0.000 0.562 772 K N -0.379 119.832 120.400 -0.315 0.000 3.150 772 K HA -0.176 4.134 4.320 -0.017 0.000 0.267 772 K C 0.977 177.462 176.600 -0.191 0.000 1.028 772 K CA 0.217 56.130 56.287 -0.623 0.000 0.753 772 K CB -1.925 30.151 32.500 -0.707 0.000 1.288 772 K HN 0.204 nan 8.250 nan 0.000 0.473 773 V N -0.010 119.876 119.914 -0.046 0.000 2.252 773 V HA -0.313 3.797 4.120 -0.017 0.000 0.249 773 V C 1.963 178.207 176.094 0.251 0.000 1.056 773 V CA 2.449 64.803 62.300 0.091 0.000 1.022 773 V CB -0.518 31.363 31.823 0.096 0.000 0.641 773 V HN 0.484 nan 8.190 nan 0.000 0.445 774 F N 0.195 120.155 119.950 0.016 0.000 2.171 774 F HA -0.188 4.329 4.527 -0.017 0.000 0.300 774 F C 2.557 178.158 175.800 -0.333 0.000 1.090 774 F CA 0.682 58.634 58.000 -0.079 0.000 1.293 774 F CB -0.431 38.529 39.000 -0.066 0.000 1.013 774 F HN 0.195 nan 8.300 nan 0.000 0.486 775 A N -0.418 122.245 122.820 -0.261 0.000 2.024 775 A HA -0.213 4.097 4.320 -0.017 0.000 0.220 775 A C 1.511 179.086 177.584 -0.015 0.000 1.164 775 A CA 1.988 53.791 52.037 -0.389 0.000 0.643 775 A CB -0.511 18.412 19.000 -0.129 0.000 0.806 775 A HN 0.252 nan 8.150 nan 0.000 0.451 776 D N -2.793 117.657 120.400 0.084 0.000 2.349 776 D HA 0.073 4.703 4.640 -0.017 0.000 0.214 776 D C 1.202 177.652 176.300 0.249 0.000 1.063 776 D CA 0.037 54.157 54.000 0.201 0.000 0.847 776 D CB -0.121 40.813 40.800 0.223 0.000 0.933 776 D HN 0.604 nan 8.370 nan 0.000 0.513 777 Y N 2.176 122.547 120.300 0.118 0.000 2.097 777 Y HA -0.226 4.315 4.550 -0.016 0.000 0.282 777 Y C 2.061 178.035 175.900 0.124 0.000 1.152 777 Y CA 1.873 60.051 58.100 0.130 0.000 1.136 777 Y CB 0.158 38.658 38.460 0.068 0.000 0.975 777 Y HN -0.101 nan 8.280 nan 0.000 0.498 778 E N 0.026 120.298 120.200 0.120 0.000 2.038 778 E HA -0.248 4.092 4.350 -0.017 0.000 0.195 778 E C 2.168 178.740 176.600 -0.046 0.000 1.000 778 E CA 1.630 58.038 56.400 0.013 0.000 0.803 778 E CB -0.230 29.568 29.700 0.163 0.000 0.750 778 E HN 0.637 nan 8.360 nan 0.000 0.448 779 E N -0.104 120.138 120.200 0.070 0.000 2.118 779 E HA -0.213 4.127 4.350 -0.017 0.000 0.195 779 E C 1.963 178.533 176.600 -0.049 0.000 0.992 779 E CA 0.889 57.346 56.400 0.095 0.000 0.804 779 E CB -0.168 29.684 29.700 0.254 0.000 0.741 779 E HN 0.262 nan 8.360 nan 0.000 0.458 780 Y N 1.325 121.409 120.300 -0.360 0.000 2.114 780 Y HA -0.228 4.312 4.550 -0.017 0.000 0.284 780 Y C 2.191 177.697 175.900 -0.658 0.000 1.143 780 Y CA 1.012 58.597 58.100 -0.858 0.000 1.135 780 Y CB -0.574 37.434 38.460 -0.754 0.000 0.980 780 Y HN -0.209 nan 8.280 nan 0.000 0.499 781 V N 0.450 119.999 119.914 -0.608 0.000 2.332 781 V HA -0.324 3.786 4.120 -0.017 0.000 0.248 781 V C 2.377 178.240 176.094 -0.385 0.000 1.055 781 V CA 2.344 64.308 62.300 -0.558 0.000 1.038 781 V CB -0.673 30.845 31.823 -0.508 0.000 0.651 781 V HN 0.246 nan 8.190 nan 0.000 0.450 782 K N -0.696 119.542 120.400 -0.270 0.000 2.009 782 K HA -0.219 4.091 4.320 -0.017 0.000 0.210 782 K C 2.296 178.798 176.600 -0.162 0.000 1.049 782 K CA 1.997 58.191 56.287 -0.156 0.000 0.929 782 K CB -0.810 31.647 32.500 -0.071 0.000 0.714 782 K HN 0.536 nan 8.250 nan 0.000 0.440 783 C N 0.998 120.178 119.300 -0.200 0.000 2.413 783 C HA -0.105 4.345 4.460 -0.017 0.000 0.277 783 C C 2.542 177.348 174.990 -0.306 0.000 1.265 783 C CA 0.805 59.731 59.018 -0.154 0.000 1.752 783 C CB -0.757 26.907 27.740 -0.126 0.000 1.998 783 C HN 0.477 nan 8.230 nan 0.000 0.489 784 Q N 0.399 119.882 119.800 -0.530 0.000 2.170 784 Q HA -0.176 4.154 4.340 -0.017 0.000 0.203 784 Q C 2.007 177.808 176.000 -0.332 0.000 0.976 784 Q CA 1.636 57.084 55.803 -0.592 0.000 0.858 784 Q CB -0.397 27.753 28.738 -0.979 0.000 0.907 784 Q HN 0.759 nan 8.270 nan 0.000 0.433 785 E N 0.272 120.336 120.200 -0.227 0.000 2.051 785 E HA -0.156 4.184 4.350 -0.017 0.000 0.192 785 E C 2.120 178.675 176.600 -0.075 0.000 0.991 785 E CA 0.679 57.007 56.400 -0.121 0.000 0.799 785 E CB -0.057 29.593 29.700 -0.084 0.000 0.748 785 E HN 0.265 nan 8.360 nan 0.000 0.449 786 R N 0.459 120.927 120.500 -0.055 0.000 2.105 786 R HA -0.130 4.200 4.340 -0.017 0.000 0.239 786 R C 2.442 178.760 176.300 0.029 0.000 1.135 786 R CA 1.144 57.279 56.100 0.060 0.000 0.967 786 R CB -0.425 29.983 30.300 0.180 0.000 0.861 786 R HN 0.076 nan 8.270 nan 0.000 0.442 787 V N 0.440 120.165 119.914 -0.315 0.000 2.261 787 V HA -0.258 3.852 4.120 -0.017 0.000 0.246 787 V C 2.259 178.322 176.094 -0.052 0.000 1.047 787 V CA 2.000 64.004 62.300 -0.493 0.000 1.015 787 V CB -0.468 30.929 31.823 -0.710 0.000 0.642 787 V HN 0.290 nan 8.190 nan 0.000 0.446 788 S N -0.078 115.561 115.700 -0.102 0.000 2.370 788 S HA -0.234 4.226 4.470 -0.017 0.000 0.226 788 S C 2.224 176.869 174.600 0.075 0.000 1.033 788 S CA 1.560 59.734 58.200 -0.043 0.000 1.011 788 S CB -0.578 62.571 63.200 -0.086 0.000 0.852 788 S HN 0.662 nan 8.310 nan 0.000 0.457 789 A N 1.394 124.265 122.820 0.085 0.000 1.873 789 A HA -0.089 4.221 4.320 -0.017 0.000 0.218 789 A C 2.125 179.827 177.584 0.196 0.000 1.193 789 A CA 1.377 53.492 52.037 0.129 0.000 0.629 789 A CB -0.859 18.209 19.000 0.113 0.000 0.826 789 A HN 0.476 nan 8.150 nan 0.000 0.447 790 L N -2.102 119.297 121.223 0.294 0.000 2.083 790 L HA -0.172 4.158 4.340 -0.017 0.000 0.209 790 L C 2.477 179.625 176.870 0.463 0.000 1.083 790 L CA 1.889 56.981 54.840 0.419 0.000 0.752 790 L CB -0.392 42.036 42.059 0.615 0.000 0.899 790 L HN 0.631 nan 8.230 nan 0.000 0.433 791 Y N 0.800 121.222 120.300 0.203 0.000 2.421 791 Y HA -0.228 4.313 4.550 -0.015 0.000 0.292 791 Y C 2.381 178.221 175.900 -0.100 0.000 1.136 791 Y CA 1.406 59.387 58.100 -0.199 0.000 1.255 791 Y CB -0.013 38.076 38.460 -0.619 0.000 0.991 791 Y HN 0.056 nan 8.280 nan 0.000 0.552 792 K N -0.063 120.389 120.400 0.086 0.000 2.360 792 K HA -0.150 4.160 4.320 -0.017 0.000 0.201 792 K C 0.343 176.939 176.600 -0.008 0.000 1.046 792 K CA 0.885 57.204 56.287 0.054 0.000 0.945 792 K CB -0.101 32.472 32.500 0.123 0.000 0.750 792 K HN 0.044 nan 8.250 nan 0.000 0.464 793 N N 0.320 119.034 118.700 0.022 0.000 2.936 793 N HA 0.141 4.871 4.740 -0.017 0.000 0.243 793 N C -2.445 173.081 175.510 0.028 0.000 1.149 793 N CA -2.322 50.744 53.050 0.028 0.000 0.914 793 N CB 1.208 39.739 38.487 0.073 0.000 1.179 793 N HN -0.196 nan 8.380 nan 0.000 0.502 794 P HA -0.136 nan 4.420 nan 0.000 0.216 794 P C 1.370 178.693 177.300 0.039 0.000 1.150 794 P CA 0.969 64.017 63.100 -0.087 0.000 0.837 794 P CB 0.414 32.025 31.700 -0.148 0.000 0.786 795 R N 0.142 120.658 120.500 0.027 0.000 2.081 795 R HA -0.142 4.188 4.340 -0.017 0.000 0.235 795 R C 1.825 178.166 176.300 0.069 0.000 1.131 795 R CA 1.370 57.494 56.100 0.039 0.000 0.960 795 R CB -0.318 29.997 30.300 0.024 0.000 0.856 795 R HN 0.077 nan 8.270 nan 0.000 0.436 796 E N -0.154 120.099 120.200 0.088 0.000 2.216 796 E HA -0.192 4.148 4.350 -0.017 0.000 0.192 796 E C 1.545 178.221 176.600 0.128 0.000 0.988 796 E CA 0.486 56.941 56.400 0.092 0.000 0.834 796 E CB -0.380 29.373 29.700 0.089 0.000 0.772 796 E HN 0.495 nan 8.360 nan 0.000 0.479 797 W N 2.187 123.489 121.300 0.004 0.000 2.353 797 W HA -0.200 4.450 4.660 -0.018 0.000 0.319 797 W C 1.633 178.163 176.519 0.018 0.000 1.207 797 W CA 2.179 59.542 57.345 0.030 0.000 1.291 797 W CB -0.456 28.990 29.460 -0.023 0.000 1.159 797 W HN 0.034 nan 8.180 nan 0.000 0.478 798 T N 1.277 115.957 114.554 0.210 0.000 2.759 798 T HA -0.202 4.138 4.350 -0.017 0.000 0.269 798 T C 1.835 176.537 174.700 0.003 0.000 1.042 798 T CA 1.869 64.023 62.100 0.090 0.000 1.140 798 T CB -0.353 68.561 68.868 0.077 0.000 0.864 798 T HN 0.189 nan 8.240 nan 0.000 0.455 799 R N 0.393 120.903 120.500 0.017 0.000 2.081 799 R HA 0.075 4.405 4.340 -0.017 0.000 0.235 799 R C 2.531 178.815 176.300 -0.027 0.000 1.131 799 R CA 1.272 57.380 56.100 0.014 0.000 0.960 799 R CB -0.350 29.967 30.300 0.027 0.000 0.856 799 R HN 0.366 nan 8.270 nan 0.000 0.436 800 M N 0.491 120.037 119.600 -0.089 0.000 2.175 800 M HA -0.141 4.329 4.480 -0.017 0.000 0.264 800 M C 1.965 178.165 176.300 -0.166 0.000 1.063 800 M CA 1.362 56.572 55.300 -0.150 0.000 1.119 800 M CB 0.161 32.614 32.600 -0.244 0.000 1.377 800 M HN -0.006 nan 8.290 nan 0.000 0.415 801 V N 0.978 120.765 119.914 -0.211 0.000 2.287 801 V HA -0.327 3.783 4.120 -0.017 0.000 0.248 801 V C 2.205 178.273 176.094 -0.044 0.000 1.053 801 V CA 2.111 64.321 62.300 -0.151 0.000 1.027 801 V CB -0.631 31.121 31.823 -0.118 0.000 0.646 801 V HN 0.506 nan 8.190 nan 0.000 0.447 802 I N -0.654 119.912 120.570 -0.007 0.000 2.264 802 I HA -0.266 3.894 4.170 -0.017 0.000 0.248 802 I C 2.675 178.837 176.117 0.075 0.000 1.111 802 I CA 1.613 62.958 61.300 0.074 0.000 1.382 802 I CB -0.406 37.687 38.000 0.156 0.000 1.060 802 I HN 0.194 nan 8.210 nan 0.000 0.418 803 R N 0.356 120.879 120.500 0.037 0.000 2.189 803 R HA -0.065 4.265 4.340 -0.017 0.000 0.218 803 R C 1.975 178.304 176.300 0.047 0.000 1.074 803 R CA 0.830 56.952 56.100 0.037 0.000 0.991 803 R CB -0.293 30.015 30.300 0.014 0.000 0.883 803 R HN 0.537 nan 8.270 nan 0.000 0.457 804 N N 0.692 119.414 118.700 0.036 0.000 2.092 804 N HA -0.091 4.639 4.740 -0.017 0.000 0.189 804 N C 1.939 177.503 175.510 0.091 0.000 1.040 804 N CA 1.097 54.191 53.050 0.072 0.000 0.845 804 N CB -0.063 38.443 38.487 0.032 0.000 1.017 804 N HN 0.086 nan 8.380 nan 0.000 0.426 805 I N 1.764 122.376 120.570 0.070 0.000 2.194 805 I HA -0.284 3.876 4.170 -0.017 0.000 0.246 805 I C 2.446 178.608 176.117 0.074 0.000 1.093 805 I CA 1.117 62.462 61.300 0.075 0.000 1.355 805 I CB -0.320 37.719 38.000 0.065 0.000 1.046 805 I HN 0.130 nan 8.210 nan 0.000 0.413 806 A N 0.111 122.974 122.820 0.071 0.000 2.067 806 A HA -0.156 4.154 4.320 -0.017 0.000 0.219 806 A C 2.079 179.696 177.584 0.054 0.000 1.158 806 A CA 1.997 54.066 52.037 0.053 0.000 0.661 806 A CB -0.813 18.223 19.000 0.060 0.000 0.801 806 A HN 0.539 nan 8.150 nan 0.000 0.452 807 T N -2.928 111.674 114.554 0.079 0.000 3.174 807 T HA 0.191 4.531 4.350 -0.017 0.000 0.269 807 T C 1.077 175.866 174.700 0.149 0.000 1.017 807 T CA 0.620 62.772 62.100 0.086 0.000 0.899 807 T CB -0.196 68.722 68.868 0.082 0.000 1.077 807 T HN 0.470 nan 8.240 nan 0.000 0.552 808 S N -0.065 115.737 115.700 0.170 0.000 2.593 808 S HA 0.277 4.737 4.470 -0.017 0.000 0.217 808 S C 2.167 176.895 174.600 0.214 0.000 0.966 808 S CA 0.211 58.585 58.200 0.290 0.000 0.914 808 S CB -0.531 62.815 63.200 0.243 0.000 0.776 808 S HN 0.514 nan 8.310 nan 0.000 0.523 809 G N 2.735 111.582 108.800 0.079 0.000 2.469 809 G HA2 -0.285 3.665 3.960 -0.017 0.000 0.219 809 G HA3 -0.285 3.665 3.960 -0.017 0.000 0.219 809 G C 1.324 176.176 174.900 -0.080 0.000 1.150 809 G CA 1.017 46.130 45.100 0.021 0.000 0.763 809 G HN 0.601 nan 8.290 nan 0.000 0.561 810 K N -0.164 120.069 120.400 -0.278 0.000 2.211 810 K HA -0.043 4.267 4.320 -0.017 0.000 0.204 810 K C 1.198 177.462 176.600 -0.559 0.000 1.047 810 K CA 0.785 56.759 56.287 -0.522 0.000 0.935 810 K CB -0.259 31.744 32.500 -0.828 0.000 0.728 810 K HN 0.424 nan 8.250 nan 0.000 0.452 811 F N 0.752 120.730 119.950 0.047 0.000 2.664 811 F HA 0.148 4.664 4.527 -0.017 0.000 0.301 811 F C 0.759 176.603 175.800 0.074 0.000 1.126 811 F CA -0.634 57.401 58.000 0.058 0.000 1.373 811 F CB 0.479 39.510 39.000 0.051 0.000 1.042 811 F HN -0.128 nan 8.300 nan 0.000 0.535 812 S N 0.290 116.074 115.700 0.140 0.000 2.548 812 S HA 0.072 4.532 4.470 -0.017 0.000 0.277 812 S C 1.423 176.105 174.600 0.135 0.000 1.315 812 S CA -0.224 58.053 58.200 0.129 0.000 1.050 812 S CB 0.817 64.062 63.200 0.075 0.000 0.918 812 S HN 0.345 nan 8.310 nan 0.000 0.497 813 S N 3.297 119.101 115.700 0.174 0.000 2.515 813 S HA -0.066 4.394 4.470 -0.017 0.000 0.231 813 S C 0.955 175.608 174.600 0.087 0.000 0.987 813 S CA 0.566 58.887 58.200 0.202 0.000 0.936 813 S CB -0.337 63.064 63.200 0.335 0.000 0.766 813 S HN 0.797 nan 8.310 nan 0.000 0.528 814 D N 1.960 122.396 120.400 0.061 0.000 2.144 814 D HA -0.104 4.526 4.640 -0.017 0.000 0.199 814 D C 2.071 178.375 176.300 0.007 0.000 0.984 814 D CA 0.815 54.829 54.000 0.023 0.000 0.834 814 D CB -0.302 40.509 40.800 0.018 0.000 0.955 814 D HN 0.294 nan 8.370 nan 0.000 0.465 815 R N 0.893 121.400 120.500 0.011 0.000 2.066 815 R HA -0.074 4.257 4.340 -0.017 0.000 0.232 815 R C 1.930 178.220 176.300 -0.016 0.000 1.131 815 R CA 1.378 57.470 56.100 -0.014 0.000 0.955 815 R CB -0.864 29.415 30.300 -0.036 0.000 0.851 815 R HN 0.102 nan 8.270 nan 0.000 0.432 816 T N 2.428 116.996 114.554 0.024 0.000 2.635 816 T HA -0.151 4.189 4.350 -0.017 0.000 0.267 816 T C 1.937 176.639 174.700 0.004 0.000 1.040 816 T CA 1.585 63.715 62.100 0.051 0.000 1.156 816 T CB -0.151 68.829 68.868 0.188 0.000 0.863 816 T HN 0.117 nan 8.240 nan 0.000 0.430 817 I N 1.585 122.087 120.570 -0.112 0.000 2.252 817 I HA -0.081 4.079 4.170 -0.017 0.000 0.245 817 I C 2.955 179.031 176.117 -0.068 0.000 1.102 817 I CA 1.010 62.210 61.300 -0.166 0.000 1.385 817 I CB -1.630 36.260 38.000 -0.184 0.000 1.064 817 I HN 0.205 nan 8.210 nan 0.000 0.414 818 A N 0.209 123.004 122.820 -0.041 0.000 1.978 818 A HA -0.244 4.066 4.320 -0.017 0.000 0.220 818 A C 2.253 179.792 177.584 -0.075 0.000 1.170 818 A CA 1.509 53.527 52.037 -0.032 0.000 0.636 818 A CB -0.559 18.429 19.000 -0.021 0.000 0.810 818 A HN 0.517 nan 8.150 nan 0.000 0.448 819 Q N -1.921 117.814 119.800 -0.108 0.000 2.083 819 Q HA -0.148 4.182 4.340 -0.017 0.000 0.198 819 Q C 1.894 177.712 176.000 -0.304 0.000 0.969 819 Q CA 1.552 57.247 55.803 -0.180 0.000 0.838 819 Q CB -0.288 28.334 28.738 -0.194 0.000 0.900 819 Q HN 0.825 nan 8.270 nan 0.000 0.436 820 Y N 0.508 120.517 120.300 -0.484 0.000 2.128 820 Y HA -0.290 4.249 4.550 -0.017 0.000 0.284 820 Y C 2.450 177.771 175.900 -0.964 0.000 1.154 820 Y CA 1.278 58.832 58.100 -0.910 0.000 1.149 820 Y CB -0.418 37.190 38.460 -1.420 0.000 0.976 820 Y HN 0.163 nan 8.280 nan 0.000 0.505 821 A N 0.226 122.818 122.820 -0.380 0.000 1.877 821 A HA -0.208 4.102 4.320 -0.017 0.000 0.216 821 A C 2.243 179.835 177.584 0.014 0.000 1.186 821 A CA 1.946 53.996 52.037 0.023 0.000 0.620 821 A CB -0.525 18.569 19.000 0.156 0.000 0.822 821 A HN 0.417 nan 8.150 nan 0.000 0.443 822 R N -0.732 119.737 120.500 -0.052 0.000 2.075 822 R HA -0.017 4.313 4.340 -0.017 0.000 0.226 822 R C 1.780 178.052 176.300 -0.046 0.000 1.114 822 R CA 1.454 57.537 56.100 -0.028 0.000 0.972 822 R CB -0.159 30.121 30.300 -0.034 0.000 0.869 822 R HN 0.645 nan 8.270 nan 0.000 0.437 823 E N -0.537 119.594 120.200 -0.115 0.000 2.415 823 E HA 0.097 4.437 4.350 -0.017 0.000 0.197 823 E C 1.360 177.909 176.600 -0.085 0.000 1.007 823 E CA 0.395 56.734 56.400 -0.102 0.000 0.890 823 E CB 0.568 30.182 29.700 -0.143 0.000 0.891 823 E HN 0.285 nan 8.360 nan 0.000 0.496 824 I N -1.192 119.294 120.570 -0.141 0.000 3.873 824 I HA 0.026 4.186 4.170 -0.017 0.000 0.284 824 I C 1.189 177.438 176.117 0.220 0.000 1.186 824 I CA -0.049 61.229 61.300 -0.036 0.000 1.362 824 I CB 0.360 38.203 38.000 -0.260 0.000 1.432 824 I HN 0.118 nan 8.210 nan 0.000 0.454 825 W N 1.397 122.791 121.300 0.157 0.000 2.942 825 W HA 0.383 5.033 4.660 -0.017 0.000 0.263 825 W C 1.362 177.917 176.519 0.059 0.000 1.296 825 W CA 0.640 58.059 57.345 0.124 0.000 1.504 825 W CB -0.971 28.550 29.460 0.103 0.000 1.096 825 W HN 0.276 nan 8.180 nan 0.000 0.639 826 G N 1.554 110.490 108.800 0.227 0.000 2.289 826 G HA2 -0.073 3.877 3.960 -0.017 0.000 0.280 826 G HA3 -0.073 3.877 3.960 -0.017 0.000 0.280 826 G C -0.421 174.550 174.900 0.118 0.000 1.089 826 G CA 0.236 45.411 45.100 0.125 0.000 0.939 826 G HN 0.473 nan 8.290 nan 0.000 0.499 827 V N -4.115 115.885 119.914 0.144 0.000 2.971 827 V HA 0.880 4.990 4.120 -0.017 0.000 0.309 827 V C -0.436 175.716 176.094 0.097 0.000 1.130 827 V CA -1.663 60.706 62.300 0.115 0.000 0.964 827 V CB 2.348 34.249 31.823 0.129 0.000 1.029 827 V HN 0.151 nan 8.190 nan 0.000 0.427 828 E N 4.337 124.577 120.200 0.067 0.000 2.146 828 E HA 0.507 4.847 4.350 -0.017 0.000 0.282 828 E C -2.404 174.232 176.600 0.059 0.000 0.989 828 E CA -1.673 54.760 56.400 0.054 0.000 0.799 828 E CB 1.732 31.456 29.700 0.040 0.000 1.088 828 E HN 0.757 nan 8.360 nan 0.000 0.397 829 P HA 0.053 nan 4.420 nan 0.000 0.271 829 P C -0.482 176.847 177.300 0.049 0.000 1.233 829 P CA -0.271 62.863 63.100 0.056 0.000 0.789 829 P CB 0.732 32.460 31.700 0.047 0.000 0.951 830 S N 0.230 115.961 115.700 0.051 0.000 2.603 830 S HA 0.302 4.762 4.470 -0.017 0.000 0.274 830 S C 0.302 174.928 174.600 0.044 0.000 1.168 830 S CA -0.784 57.445 58.200 0.048 0.000 0.963 830 S CB 1.006 64.243 63.200 0.061 0.000 1.078 830 S HN 0.272 nan 8.310 nan 0.000 0.477 831 R N 2.309 122.830 120.500 0.035 0.000 2.334 831 R HA 0.191 4.522 4.340 -0.017 0.000 0.220 831 R C 0.078 176.390 176.300 0.021 0.000 0.917 831 R CA 0.065 56.183 56.100 0.031 0.000 1.073 831 R CB 0.060 30.378 30.300 0.030 0.000 1.056 831 R HN 0.692 nan 8.270 nan 0.000 0.506 832 Q N 1.064 120.877 119.800 0.021 0.000 2.313 832 Q HA 0.105 4.435 4.340 -0.017 0.000 0.266 832 Q C -0.275 175.720 176.000 -0.009 0.000 0.989 832 Q CA 0.025 55.833 55.803 0.008 0.000 0.890 832 Q CB 0.894 29.641 28.738 0.015 0.000 1.200 832 Q HN -0.192 nan 8.270 nan 0.000 0.396 833 R N 1.537 122.021 120.500 -0.026 0.000 2.590 833 R HA 0.153 4.483 4.340 -0.017 0.000 0.274 833 R C -0.371 175.885 176.300 -0.073 0.000 1.061 833 R CA 0.122 56.192 56.100 -0.049 0.000 1.081 833 R CB 0.279 30.547 30.300 -0.053 0.000 0.984 833 R HN 0.497 nan 8.270 nan 0.000 0.448 834 L N 5.246 126.408 121.223 -0.103 0.000 2.395 834 L HA 0.362 4.692 4.340 -0.017 0.000 0.269 834 L C -1.700 175.102 176.870 -0.113 0.000 1.133 834 L CA -2.018 52.726 54.840 -0.159 0.000 0.812 834 L CB 1.092 43.023 42.059 -0.214 0.000 1.125 834 L HN 0.466 nan 8.230 nan 0.000 0.452 835 P HA 0.079 nan 4.420 nan 0.000 0.268 835 P C -0.779 176.485 177.300 -0.060 0.000 1.204 835 P CA -0.205 62.853 63.100 -0.071 0.000 0.768 835 P CB 0.889 32.552 31.700 -0.061 0.000 0.842 836 A N 0.000 122.794 122.820 -0.043 0.000 2.254 836 A HA 0.000 4.310 4.320 -0.017 0.000 0.244 836 A CA 0.000 52.019 52.037 -0.029 0.000 0.836 836 A CB 0.000 18.984 19.000 -0.026 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486