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 1z8d_1_A DATA FIRST_RESID 2 DATA SEQUENCE RPLSDQEKRK QIXVRGXXXV ENVTELKKNF NRHLHFTLVK DRNVATPRDY DATA SEQUENCE YFALAHTVRD HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN DATA SEQUENCE LALENACDEA TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG DATA SEQUENCE LAAYGYGIRY EFGIFNQKIS GGWQMEEADD WLRYGNPWEK ARPEFTLPVH DATA SEQUENCE FYGHVEHTSQ GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPXX DATA SEQUENCE XXXXXXXXXG YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA DATA SEQUENCE ATLQDIIRRF KSSKFGCRDP VRTNFDAFPD KVAIQLNDTH PSLAIPELMR DATA SEQUENCE ILVDLERMDW DKAWDVTVRT CAYTNHTVLP EALERWPVHL LETLLPRHLQ DATA SEQUENCE IIYEINQRFL NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA DATA SEQUENCE VNGVARIHSE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE DATA SEQUENCE VIAERIGEDF ISDLDQLRKL LSFVDDEAFI RDVAKVKQEN KLKFAAYLER DATA SEQUENCE EYKVHINPNS LFDIQVKRIH EYKRQLLNCL HVITLYNRIK REPNKFFVPR DATA SEQUENCE TVMIGGKAAP GYHMAKMIIR LVTAIGDVVN HDPAVGDRLR VIFLENYRVS DATA SEQUENCE LAEKVIPAAD LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE DATA SEQUENCE EAGEENFFIF GMRVEDVDKL DQRGYNAQEY YDRIPELRQV IEQLSSGFFS DATA SEQUENCE PKQPDLFKDI VNMLMHHDRF KVFADYEDYI KCQEKVSALY KNPREWTRMV DATA SEQUENCE IRNIATSGKF 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.300 176.300 -0.001 0.000 0.893 2 R CA 0.000 56.100 56.100 -0.001 0.000 0.921 2 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 3 P HA 0.061 nan 4.420 nan 0.000 0.259 3 P C -0.773 176.527 177.300 -0.000 0.000 1.211 3 P CA -0.244 62.856 63.100 -0.001 0.000 0.810 3 P CB 0.194 31.893 31.700 -0.001 0.000 0.815 4 L N 2.622 123.845 121.223 -0.000 0.000 2.416 4 L HA 0.140 4.433 4.340 -0.078 0.000 0.272 4 L C 1.213 178.083 176.870 0.000 0.000 1.161 4 L CA 0.427 55.267 54.840 0.000 0.000 0.845 4 L CB 0.228 42.288 42.059 0.000 0.000 1.119 4 L HN 0.426 nan 8.230 nan 0.000 0.464 5 S N 1.037 116.737 115.700 0.001 0.000 2.626 5 S HA 0.145 4.568 4.470 -0.078 0.000 0.257 5 S C 0.744 175.344 174.600 0.000 0.000 1.288 5 S CA -0.592 57.608 58.200 0.001 0.000 0.980 5 S CB 0.515 63.716 63.200 0.002 0.000 0.975 5 S HN 0.612 nan 8.310 nan 0.000 0.577 6 D N 0.754 121.154 120.400 -0.000 0.000 2.218 6 D HA -0.143 4.450 4.640 -0.078 0.000 0.204 6 D C 2.157 178.458 176.300 0.001 0.000 0.976 6 D CA 1.687 55.686 54.000 -0.001 0.000 0.853 6 D CB -0.365 40.434 40.800 -0.002 0.000 0.939 6 D HN 0.851 nan 8.370 nan 0.000 0.481 7 Q N 0.922 120.724 119.800 0.002 0.000 2.079 7 Q HA -0.164 4.129 4.340 -0.078 0.000 0.200 7 Q C 1.926 177.931 176.000 0.007 0.000 0.974 7 Q CA 1.302 57.108 55.803 0.005 0.000 0.840 7 Q CB -0.246 28.495 28.738 0.007 0.000 0.898 7 Q HN -0.007 nan 8.270 nan 0.000 0.430 8 E N 1.016 121.220 120.200 0.006 0.000 2.150 8 E HA -0.104 4.199 4.350 -0.078 0.000 0.193 8 E C 1.656 178.259 176.600 0.005 0.000 0.985 8 E CA 1.321 57.725 56.400 0.007 0.000 0.814 8 E CB 0.143 29.846 29.700 0.005 0.000 0.752 8 E HN 0.434 nan 8.360 nan 0.000 0.466 9 K N -0.127 120.275 120.400 0.003 0.000 2.025 9 K HA -0.034 4.239 4.320 -0.078 0.000 0.207 9 K C 2.171 178.772 176.600 0.002 0.000 1.049 9 K CA 1.227 57.514 56.287 0.001 0.000 0.933 9 K CB -0.135 32.364 32.500 -0.001 0.000 0.714 9 K HN 0.026 nan 8.250 nan 0.000 0.438 10 R N 1.061 121.562 120.500 0.002 0.000 2.303 10 R HA -0.057 4.236 4.340 -0.078 0.000 0.225 10 R C 1.684 177.989 176.300 0.007 0.000 1.114 10 R CA 0.652 56.754 56.100 0.002 0.000 1.007 10 R CB -0.044 30.257 30.300 0.000 0.000 0.861 10 R HN 0.063 nan 8.270 nan 0.000 0.471 11 K N 0.946 121.352 120.400 0.010 0.000 2.360 11 K HA -0.154 4.119 4.320 -0.078 0.000 0.201 11 K C 1.733 178.341 176.600 0.015 0.000 1.046 11 K CA 1.150 57.447 56.287 0.017 0.000 0.945 11 K CB 0.004 32.514 32.500 0.018 0.000 0.750 11 K HN 0.436 nan 8.250 nan 0.000 0.464 12 Q N 0.178 119.984 119.800 0.008 0.000 2.297 12 Q HA 0.048 4.341 4.340 -0.078 0.000 0.204 12 Q C 1.022 177.025 176.000 0.006 0.000 0.962 12 Q CA 0.326 56.133 55.803 0.006 0.000 0.879 12 Q CB 0.013 28.752 28.738 0.001 0.000 0.947 12 Q HN 0.289 nan 8.270 nan 0.000 0.462 16 R N 1.913 122.425 120.500 0.020 0.000 2.712 16 R HA 0.827 5.120 4.340 -0.078 0.000 0.272 16 R C 0.099 176.405 176.300 0.010 0.000 1.032 16 R CA 0.018 56.128 56.100 0.017 0.000 0.874 16 R CB 1.800 32.108 30.300 0.014 0.000 1.256 16 R HN 1.750 nan 8.270 nan 0.000 0.468 22 E N 3.286 123.509 120.200 0.038 0.000 2.975 22 E HA 0.052 4.355 4.350 -0.078 0.000 0.301 22 E C -0.084 176.497 176.600 -0.031 0.000 1.554 22 E CA 0.050 56.392 56.400 -0.096 0.000 1.716 22 E CB -0.319 29.277 29.700 -0.173 0.000 1.365 22 E HN 0.503 nan 8.360 nan 0.000 0.469 23 N N -0.199 118.515 118.700 0.023 0.000 2.498 23 N HA 0.034 4.727 4.740 -0.078 0.000 0.287 23 N C 1.030 176.560 175.510 0.033 0.000 1.097 23 N CA -0.276 52.790 53.050 0.027 0.000 0.973 23 N CB 1.564 40.075 38.487 0.041 0.000 1.153 23 N HN -0.135 nan 8.380 nan 0.000 0.472 24 V N 1.250 121.177 119.914 0.022 0.000 2.407 24 V HA -0.257 3.816 4.120 -0.078 0.000 0.248 24 V C 2.320 178.434 176.094 0.034 0.000 1.055 24 V CA 2.319 64.633 62.300 0.024 0.000 1.049 24 V CB -1.019 30.814 31.823 0.017 0.000 0.662 24 V HN 0.975 nan 8.190 nan 0.000 0.455 25 T N -2.157 112.418 114.554 0.034 0.000 2.777 25 T HA -0.186 4.117 4.350 -0.078 0.000 0.266 25 T C 1.755 176.490 174.700 0.059 0.000 1.040 25 T CA 1.349 63.471 62.100 0.037 0.000 1.141 25 T CB -0.302 68.585 68.868 0.031 0.000 0.868 25 T HN 0.397 nan 8.240 nan 0.000 0.444 26 E N 1.271 121.513 120.200 0.070 0.000 2.150 26 E HA 0.074 4.377 4.350 -0.078 0.000 0.193 26 E C 2.302 178.985 176.600 0.137 0.000 0.985 26 E CA 0.597 57.055 56.400 0.097 0.000 0.814 26 E CB -0.416 29.346 29.700 0.104 0.000 0.752 26 E HN 0.550 nan 8.360 nan 0.000 0.466 27 L N 0.544 121.849 121.223 0.136 0.000 2.093 27 L HA -0.162 4.131 4.340 -0.078 0.000 0.208 27 L C 2.489 179.472 176.870 0.188 0.000 1.085 27 L CA 1.118 56.067 54.840 0.180 0.000 0.755 27 L CB -0.263 41.874 42.059 0.129 0.000 0.904 27 L HN 0.043 nan 8.230 nan 0.000 0.435 28 K N 0.270 120.740 120.400 0.116 0.000 2.009 28 K HA -0.207 4.066 4.320 -0.078 0.000 0.210 28 K C 2.157 178.857 176.600 0.168 0.000 1.049 28 K CA 1.569 57.915 56.287 0.097 0.000 0.929 28 K CB -0.048 32.472 32.500 0.034 0.000 0.714 28 K HN 0.227 nan 8.250 nan 0.000 0.440 29 K N 0.531 121.011 120.400 0.134 0.000 2.009 29 K HA -0.139 4.134 4.320 -0.078 0.000 0.210 29 K C 1.918 178.613 176.600 0.157 0.000 1.049 29 K CA 1.527 57.891 56.287 0.127 0.000 0.929 29 K CB -0.211 32.343 32.500 0.090 0.000 0.714 29 K HN 0.179 nan 8.250 nan 0.000 0.440 30 N N 0.626 119.428 118.700 0.169 0.000 2.120 30 N HA -0.176 4.517 4.740 -0.078 0.000 0.188 30 N C 1.778 177.441 175.510 0.254 0.000 1.024 30 N CA 1.124 54.269 53.050 0.159 0.000 0.852 30 N CB -0.347 38.261 38.487 0.201 0.000 1.003 30 N HN 0.107 nan 8.380 nan 0.000 0.424 31 F N 2.525 122.581 119.950 0.176 0.000 2.126 31 F HA -0.129 4.351 4.527 -0.078 0.000 0.299 31 F C 2.163 178.061 175.800 0.162 0.000 1.096 31 F CA 1.339 59.450 58.000 0.186 0.000 1.255 31 F CB -0.505 38.572 39.000 0.129 0.000 0.997 31 F HN 0.061 nan 8.300 nan 0.000 0.479 32 N N 0.256 119.218 118.700 0.436 0.000 2.188 32 N HA -0.235 4.458 4.740 -0.078 0.000 0.184 32 N C 2.263 177.907 175.510 0.223 0.000 1.018 32 N CA 1.031 54.291 53.050 0.349 0.000 0.858 32 N CB -0.206 38.442 38.487 0.268 0.000 0.989 32 N HN 0.358 nan 8.380 nan 0.000 0.426 33 R N -0.184 120.390 120.500 0.123 0.000 2.075 33 R HA -0.106 4.187 4.340 -0.078 0.000 0.232 33 R C 2.111 178.410 176.300 -0.001 0.000 1.126 33 R CA 1.166 57.316 56.100 0.084 0.000 0.963 33 R CB -0.232 30.109 30.300 0.068 0.000 0.858 33 R HN 0.357 nan 8.270 nan 0.000 0.435 34 H N 0.636 119.704 119.070 -0.004 0.000 2.357 34 H HA -0.141 4.368 4.556 -0.078 0.000 0.301 34 H C 2.064 177.258 175.328 -0.223 0.000 1.082 34 H CA 1.346 57.316 56.048 -0.130 0.000 1.342 34 H CB -0.197 29.465 29.762 -0.167 0.000 1.389 34 H HN 0.196 nan 8.280 nan 0.000 0.511 35 L N 1.072 122.198 121.223 -0.162 0.000 2.042 35 L HA -0.229 4.064 4.340 -0.078 0.000 0.210 35 L C 1.650 178.299 176.870 -0.367 0.000 1.076 35 L CA 2.040 56.699 54.840 -0.302 0.000 0.749 35 L CB -0.601 41.265 42.059 -0.322 0.000 0.893 35 L HN 0.294 nan 8.230 nan 0.000 0.432 36 H N -1.921 116.991 119.070 -0.263 0.000 2.337 36 H HA 0.014 4.523 4.556 -0.078 0.000 0.311 36 H C 1.845 176.952 175.328 -0.368 0.000 1.054 36 H CA 1.676 57.485 56.048 -0.398 0.000 1.385 36 H CB -0.361 28.991 29.762 -0.682 0.000 1.437 36 H HN 0.179 nan 8.280 nan 0.000 0.553 37 F N 0.248 120.225 119.950 0.045 0.000 2.206 37 F HA -0.069 4.411 4.527 -0.079 0.000 0.298 37 F C 2.369 178.117 175.800 -0.086 0.000 1.090 37 F CA 1.145 59.124 58.000 -0.034 0.000 1.323 37 F CB -0.744 38.218 39.000 -0.064 0.000 1.028 37 F HN 0.082 nan 8.300 nan 0.000 0.492 38 T N -0.201 114.376 114.554 0.038 0.000 2.894 38 T HA 0.002 4.305 4.350 -0.078 0.000 0.258 38 T C 1.775 176.368 174.700 -0.178 0.000 1.043 38 T CA 0.806 62.844 62.100 -0.104 0.000 1.141 38 T CB -0.238 68.516 68.868 -0.190 0.000 0.873 38 T HN -0.023 nan 8.240 nan 0.000 0.449 39 L N 0.827 121.943 121.223 -0.177 0.000 2.509 39 L HA 0.258 4.551 4.340 -0.078 0.000 0.222 39 L C 0.714 177.500 176.870 -0.141 0.000 1.123 39 L CA 0.391 55.119 54.840 -0.187 0.000 0.856 39 L CB -0.392 41.548 42.059 -0.198 0.000 0.985 39 L HN 0.010 nan 8.230 nan 0.000 0.456 40 V N -0.479 119.371 119.914 -0.106 0.000 5.961 40 V HA -0.295 3.778 4.120 -0.078 0.000 0.311 40 V C 0.534 176.571 176.094 -0.095 0.000 0.552 40 V CA 0.844 63.102 62.300 -0.070 0.000 0.641 40 V CB -2.124 29.670 31.823 -0.049 0.000 0.286 40 V HN 0.358 nan 8.190 nan 0.000 0.939 41 K N 0.789 121.099 120.400 -0.150 0.000 2.197 41 K HA 0.887 5.160 4.320 -0.078 0.000 0.247 41 K C -0.436 176.029 176.600 -0.225 0.000 1.077 41 K CA -0.071 56.109 56.287 -0.178 0.000 0.882 41 K CB 2.326 34.688 32.500 -0.230 0.000 1.396 41 K HN 0.543 nan 8.250 nan 0.000 0.482 42 D N -2.524 117.751 120.400 -0.209 0.000 2.671 42 D HA 0.122 4.715 4.640 -0.078 0.000 0.273 42 D C 0.333 176.588 176.300 -0.074 0.000 1.264 42 D CA -0.752 53.154 54.000 -0.156 0.000 0.788 42 D CB 0.553 41.390 40.800 0.061 0.000 1.324 42 D HN 0.428 nan 8.370 nan 0.000 0.424 43 R N 0.374 120.904 120.500 0.049 0.000 2.241 43 R HA -0.014 4.279 4.340 -0.078 0.000 0.224 43 R C 0.405 176.748 176.300 0.072 0.000 1.101 43 R CA 1.360 57.532 56.100 0.119 0.000 0.995 43 R CB -0.799 29.599 30.300 0.165 0.000 0.870 43 R HN 0.407 nan 8.270 nan 0.000 0.463 44 N N 0.063 118.786 118.700 0.038 0.000 2.309 44 N HA -0.100 4.593 4.740 -0.078 0.000 0.182 44 N C 1.285 176.797 175.510 0.003 0.000 1.018 44 N CA 1.119 54.184 53.050 0.024 0.000 0.876 44 N CB 0.348 38.847 38.487 0.019 0.000 0.972 44 N HN 0.073 nan 8.380 nan 0.000 0.434 45 V N -0.403 119.495 119.914 -0.027 0.000 3.451 45 V HA 0.424 4.497 4.120 -0.078 0.000 0.288 45 V C -0.166 175.868 176.094 -0.101 0.000 1.502 45 V CA -0.256 62.015 62.300 -0.048 0.000 1.026 45 V CB -0.060 31.736 31.823 -0.045 0.000 0.840 45 V HN 0.165 nan 8.190 nan 0.000 0.437 46 A N 1.789 124.512 122.820 -0.162 0.000 2.548 46 A HA 0.468 4.741 4.320 -0.078 0.000 0.247 46 A C 0.761 178.129 177.584 -0.360 0.000 1.067 46 A CA 0.994 52.806 52.037 -0.376 0.000 0.757 46 A CB -0.321 18.285 19.000 -0.656 0.000 0.996 46 A HN 0.730 nan 8.150 nan 0.000 0.504 47 T N 0.692 115.052 114.554 -0.324 0.000 2.936 47 T HA 0.570 4.873 4.350 -0.078 0.000 0.282 47 T C -2.068 172.540 174.700 -0.154 0.000 1.003 47 T CA -1.760 60.242 62.100 -0.163 0.000 1.005 47 T CB 1.202 70.016 68.868 -0.090 0.000 1.097 47 T HN 0.236 nan 8.240 nan 0.000 0.532 48 P HA -0.066 nan 4.420 nan 0.000 0.216 48 P C 1.649 179.005 177.300 0.094 0.000 1.150 48 P CA 0.884 64.072 63.100 0.146 0.000 0.837 48 P CB 0.054 31.810 31.700 0.093 0.000 0.786 49 R N -0.039 120.456 120.500 -0.007 0.000 2.096 49 R HA -0.145 4.148 4.340 -0.078 0.000 0.235 49 R C 1.589 177.946 176.300 0.096 0.000 1.127 49 R CA 1.705 57.789 56.100 -0.026 0.000 0.968 49 R CB -0.619 29.608 30.300 -0.123 0.000 0.861 49 R HN 0.117 nan 8.270 nan 0.000 0.440 50 D N -0.392 120.017 120.400 0.015 0.000 2.117 50 D HA -0.180 4.413 4.640 -0.078 0.000 0.197 50 D C 1.716 177.996 176.300 -0.032 0.000 0.987 50 D CA 1.272 55.261 54.000 -0.018 0.000 0.829 50 D CB -0.279 40.348 40.800 -0.288 0.000 0.961 50 D HN 0.287 nan 8.370 nan 0.000 0.460 51 Y N 0.054 120.416 120.300 0.103 0.000 2.242 51 Y HA -0.190 4.313 4.550 -0.078 0.000 0.291 51 Y C 2.291 178.279 175.900 0.147 0.000 1.137 51 Y CA 0.275 58.476 58.100 0.168 0.000 1.181 51 Y CB -1.073 37.560 38.460 0.289 0.000 0.989 51 Y HN 0.098 nan 8.280 nan 0.000 0.527 52 Y N -0.554 119.831 120.300 0.141 0.000 2.181 52 Y HA -0.271 4.232 4.550 -0.079 0.000 0.288 52 Y C 1.872 177.724 175.900 -0.080 0.000 1.146 52 Y CA 1.227 59.324 58.100 -0.004 0.000 1.164 52 Y CB -1.048 37.294 38.460 -0.197 0.000 0.982 52 Y HN 0.005 nan 8.280 nan 0.000 0.515 53 F N 0.467 120.191 119.950 -0.376 0.000 2.171 53 F HA -0.090 4.389 4.527 -0.079 0.000 0.300 53 F C 2.680 178.265 175.800 -0.358 0.000 1.090 53 F CA 1.271 58.979 58.000 -0.487 0.000 1.293 53 F CB -1.257 37.632 39.000 -0.186 0.000 1.013 53 F HN 0.203 nan 8.300 nan 0.000 0.486 54 A N -0.252 122.473 122.820 -0.159 0.000 1.908 54 A HA -0.183 4.090 4.320 -0.078 0.000 0.218 54 A C 2.144 179.508 177.584 -0.368 0.000 1.181 54 A CA 1.670 53.444 52.037 -0.438 0.000 0.627 54 A CB -1.088 17.252 19.000 -1.100 0.000 0.818 54 A HN 0.339 nan 8.150 nan 0.000 0.445 55 L N -0.427 120.708 121.223 -0.146 0.000 2.056 55 L HA 0.021 4.314 4.340 -0.078 0.000 0.207 55 L C 2.676 179.516 176.870 -0.050 0.000 1.078 55 L CA 1.992 56.913 54.840 0.135 0.000 0.749 55 L CB -0.843 41.389 42.059 0.288 0.000 0.901 55 L HN 0.345 nan 8.230 nan 0.000 0.433 56 A N -1.240 121.381 122.820 -0.332 0.000 1.865 56 A HA -0.266 4.007 4.320 -0.078 0.000 0.217 56 A C 2.256 179.483 177.584 -0.596 0.000 1.191 56 A CA 1.864 53.576 52.037 -0.542 0.000 0.623 56 A CB -1.052 17.328 19.000 -1.033 0.000 0.826 56 A HN 0.649 nan 8.150 nan 0.000 0.444 57 H N -0.544 118.191 119.070 -0.559 0.000 2.421 57 H HA -0.079 4.430 4.556 -0.078 0.000 0.298 57 H C 2.265 177.228 175.328 -0.609 0.000 1.087 57 H CA 1.839 57.451 56.048 -0.727 0.000 1.330 57 H CB -0.385 28.717 29.762 -1.101 0.000 1.388 57 H HN 0.487 nan 8.280 nan 0.000 0.526 58 T N 0.411 114.860 114.554 -0.174 0.000 2.737 58 T HA -0.073 4.230 4.350 -0.078 0.000 0.265 58 T C 2.431 177.263 174.700 0.219 0.000 1.038 58 T CA 1.109 63.303 62.100 0.157 0.000 1.144 58 T CB -0.331 68.711 68.868 0.290 0.000 0.866 58 T HN 0.081 nan 8.240 nan 0.000 0.434 59 V N 1.344 121.376 119.914 0.197 0.000 2.358 59 V HA -0.110 3.963 4.120 -0.078 0.000 0.246 59 V C 2.630 178.886 176.094 0.269 0.000 1.047 59 V CA 1.432 63.906 62.300 0.289 0.000 1.035 59 V CB -0.599 31.402 31.823 0.296 0.000 0.658 59 V HN 0.339 nan 8.190 nan 0.000 0.452 60 R N 0.089 120.678 120.500 0.148 0.000 2.119 60 R HA -0.231 4.062 4.340 -0.078 0.000 0.246 60 R C 2.083 178.434 176.300 0.086 0.000 1.146 60 R CA 2.167 58.333 56.100 0.110 0.000 0.962 60 R CB -0.423 29.780 30.300 -0.161 0.000 0.863 60 R HN 0.557 nan 8.270 nan 0.000 0.442 61 D N -0.613 119.813 120.400 0.043 0.000 2.104 61 D HA -0.183 4.410 4.640 -0.078 0.000 0.194 61 D C 1.830 178.098 176.300 -0.053 0.000 0.994 61 D CA 1.259 55.248 54.000 -0.018 0.000 0.830 61 D CB -0.461 40.296 40.800 -0.071 0.000 0.959 61 D HN 0.460 nan 8.370 nan 0.000 0.452 62 H N 0.102 119.238 119.070 0.110 0.000 2.457 62 H HA 0.024 4.533 4.556 -0.079 0.000 0.294 62 H C 2.354 177.743 175.328 0.101 0.000 1.064 62 H CA 0.259 56.365 56.048 0.095 0.000 1.330 62 H CB 0.125 29.939 29.762 0.086 0.000 1.395 62 H HN 0.173 nan 8.280 nan 0.000 0.541 63 L N 0.218 121.572 121.223 0.218 0.000 2.068 63 L HA -0.120 4.173 4.340 -0.078 0.000 0.204 63 L C 2.400 179.384 176.870 0.190 0.000 1.076 63 L CA 0.635 55.588 54.840 0.190 0.000 0.753 63 L CB -0.150 42.030 42.059 0.202 0.000 0.910 63 L HN 0.029 nan 8.230 nan 0.000 0.439 64 V N 0.049 120.052 119.914 0.149 0.000 2.343 64 V HA -0.230 3.843 4.120 -0.078 0.000 0.247 64 V C 2.632 178.856 176.094 0.217 0.000 1.051 64 V CA 1.867 64.263 62.300 0.160 0.000 1.036 64 V CB -1.345 30.519 31.823 0.070 0.000 0.654 64 V HN 0.632 nan 8.190 nan 0.000 0.451 65 G N 0.165 109.049 108.800 0.140 0.000 2.446 65 G HA2 -0.227 3.686 3.960 -0.078 0.000 0.217 65 G HA3 -0.227 3.686 3.960 -0.078 0.000 0.217 65 G C 1.700 176.675 174.900 0.124 0.000 1.168 65 G CA 0.559 45.728 45.100 0.115 0.000 0.771 65 G HN 0.369 nan 8.290 nan 0.000 0.551 66 R N -0.627 119.952 120.500 0.131 0.000 2.081 66 R HA -0.101 4.192 4.340 -0.078 0.000 0.235 66 R C 2.190 178.544 176.300 0.090 0.000 1.131 66 R CA 1.231 57.383 56.100 0.087 0.000 0.960 66 R CB -0.987 29.365 30.300 0.087 0.000 0.856 66 R HN 0.583 nan 8.270 nan 0.000 0.436 67 W N 1.921 123.218 121.300 -0.005 0.000 2.333 67 W HA -0.167 4.446 4.660 -0.079 0.000 0.316 67 W C 2.020 178.529 176.519 -0.017 0.000 1.215 67 W CA 1.571 58.908 57.345 -0.014 0.000 1.278 67 W CB -0.427 29.040 29.460 0.011 0.000 1.154 67 W HN -0.062 nan 8.180 nan 0.000 0.486 68 I N 0.525 121.215 120.570 0.201 0.000 2.163 68 I HA -0.369 3.754 4.170 -0.078 0.000 0.243 68 I C 2.608 178.651 176.117 -0.123 0.000 1.085 68 I CA 1.328 62.641 61.300 0.022 0.000 1.347 68 I CB -0.677 37.423 38.000 0.167 0.000 1.044 68 I HN -0.064 nan 8.210 nan 0.000 0.408 69 R N 0.344 120.806 120.500 -0.063 0.000 2.096 69 R HA -0.085 4.208 4.340 -0.078 0.000 0.235 69 R C 2.296 178.498 176.300 -0.164 0.000 1.127 69 R CA 1.488 57.547 56.100 -0.068 0.000 0.968 69 R CB -1.317 28.958 30.300 -0.042 0.000 0.861 69 R HN 0.354 nan 8.270 nan 0.000 0.440 70 T N 1.737 116.119 114.554 -0.288 0.000 2.674 70 T HA -0.116 4.187 4.350 -0.078 0.000 0.265 70 T C 1.785 176.051 174.700 -0.723 0.000 1.039 70 T CA 1.106 62.904 62.100 -0.503 0.000 1.150 70 T CB -0.032 68.542 68.868 -0.488 0.000 0.864 70 T HN 0.173 nan 8.240 nan 0.000 0.427 71 Q N 1.134 120.536 119.800 -0.663 0.000 2.170 71 Q HA -0.050 4.243 4.340 -0.078 0.000 0.203 71 Q C 2.347 178.295 176.000 -0.086 0.000 0.976 71 Q CA 1.281 56.806 55.803 -0.462 0.000 0.858 71 Q CB -0.389 27.905 28.738 -0.741 0.000 0.907 71 Q HN 0.654 nan 8.270 nan 0.000 0.433 72 Q N -0.647 119.104 119.800 -0.082 0.000 2.119 72 Q HA -0.176 4.117 4.340 -0.078 0.000 0.201 72 Q C 1.925 178.090 176.000 0.274 0.000 0.972 72 Q CA 1.237 57.119 55.803 0.132 0.000 0.847 72 Q CB -0.208 28.625 28.738 0.157 0.000 0.903 72 Q HN 0.504 nan 8.270 nan 0.000 0.433 73 H N -0.324 118.729 119.070 -0.028 0.000 2.387 73 H HA -0.165 4.344 4.556 -0.078 0.000 0.299 73 H C 1.222 176.595 175.328 0.076 0.000 1.090 73 H CA 1.611 57.637 56.048 -0.037 0.000 1.332 73 H CB 0.015 29.655 29.762 -0.203 0.000 1.386 73 H HN 0.223 nan 8.280 nan 0.000 0.516 74 Y N -1.044 119.251 120.300 -0.009 0.000 2.293 74 Y HA -0.147 4.357 4.550 -0.078 0.000 0.291 74 Y C 1.968 177.780 175.900 -0.146 0.000 1.137 74 Y CA 0.842 58.864 58.100 -0.130 0.000 1.202 74 Y CB -1.011 37.380 38.460 -0.116 0.000 0.990 74 Y HN 0.333 nan 8.280 nan 0.000 0.537 75 Y N -0.079 120.315 120.300 0.157 0.000 2.337 75 Y HA -0.127 4.376 4.550 -0.078 0.000 0.293 75 Y C 2.517 178.538 175.900 0.200 0.000 1.123 75 Y CA 1.393 59.581 58.100 0.147 0.000 1.201 75 Y CB -0.207 38.303 38.460 0.084 0.000 1.011 75 Y HN 0.171 nan 8.280 nan 0.000 0.545 76 E N 0.237 120.647 120.200 0.351 0.000 2.106 76 E HA -0.176 4.127 4.350 -0.078 0.000 0.192 76 E C 1.486 178.063 176.600 -0.038 0.000 0.984 76 E CA 1.055 57.519 56.400 0.107 0.000 0.806 76 E CB 0.215 29.872 29.700 -0.073 0.000 0.750 76 E HN 0.180 nan 8.360 nan 0.000 0.458 77 K N 0.411 120.739 120.400 -0.120 0.000 2.352 77 K HA -0.009 4.264 4.320 -0.078 0.000 0.194 77 K C 0.066 176.620 176.600 -0.076 0.000 1.038 77 K CA 0.665 56.873 56.287 -0.131 0.000 1.023 77 K CB 0.084 32.440 32.500 -0.239 0.000 0.840 77 K HN 0.107 nan 8.250 nan 0.000 0.519 78 D N 1.291 121.650 120.400 -0.069 0.000 2.697 78 D HA -0.108 4.485 4.640 -0.078 0.000 0.238 78 D C -2.393 173.853 176.300 -0.090 0.000 1.152 78 D CA 0.124 54.070 54.000 -0.090 0.000 0.666 78 D CB -0.275 40.485 40.800 -0.067 0.000 1.037 78 D HN 0.164 nan 8.370 nan 0.000 0.423 79 P HA 0.101 nan 4.420 nan 0.000 0.276 79 P C -0.250 176.969 177.300 -0.135 0.000 1.252 79 P CA -0.590 62.445 63.100 -0.108 0.000 0.802 79 P CB 0.705 32.331 31.700 -0.123 0.000 1.035 80 K N 1.875 122.210 120.400 -0.109 0.000 2.436 80 K HA 0.040 4.313 4.320 -0.078 0.000 0.282 80 K C 0.113 176.594 176.600 -0.198 0.000 1.044 80 K CA -0.007 56.208 56.287 -0.118 0.000 1.028 80 K CB 0.160 32.615 32.500 -0.074 0.000 0.919 80 K HN 0.316 nan 8.250 nan 0.000 0.474 81 R N 4.530 124.892 120.500 -0.230 0.000 2.297 81 R HA 0.304 4.597 4.340 -0.078 0.000 0.308 81 R C -0.301 175.712 176.300 -0.479 0.000 1.029 81 R CA -0.474 55.409 56.100 -0.362 0.000 0.929 81 R CB 0.805 30.875 30.300 -0.384 0.000 1.046 81 R HN 0.561 nan 8.270 nan 0.000 0.461 82 I N 3.805 124.046 120.570 -0.548 0.000 2.321 82 I HA 0.206 4.329 4.170 -0.078 0.000 0.291 82 I C -0.813 174.973 176.117 -0.551 0.000 0.998 82 I CA -0.637 60.297 61.300 -0.610 0.000 1.227 82 I CB 0.786 38.306 38.000 -0.800 0.000 1.368 82 I HN 0.422 nan 8.210 nan 0.000 0.466 83 Y N 5.928 126.135 120.300 -0.156 0.000 2.356 83 Y HA 0.278 4.781 4.550 -0.078 0.000 0.334 83 Y C -0.484 175.481 175.900 0.108 0.000 0.958 83 Y CA -0.656 57.462 58.100 0.030 0.000 1.196 83 Y CB 0.892 39.291 38.460 -0.102 0.000 1.137 83 Y HN 0.399 nan 8.280 nan 0.000 0.485 84 Y N 4.644 125.113 120.300 0.281 0.000 2.518 84 Y HA 0.439 4.943 4.550 -0.077 0.000 0.344 84 Y C -1.140 175.029 175.900 0.449 0.000 0.982 84 Y CA -0.970 57.322 58.100 0.321 0.000 1.234 84 Y CB 0.193 38.864 38.460 0.351 0.000 1.114 84 Y HN 0.505 nan 8.280 nan 0.000 0.515 85 L N 4.744 126.039 121.223 0.120 0.000 2.281 85 L HA 0.432 4.725 4.340 -0.078 0.000 0.285 85 L C -0.074 176.858 176.870 0.102 0.000 1.074 85 L CA 0.234 55.203 54.840 0.214 0.000 0.817 85 L CB 1.187 43.323 42.059 0.128 0.000 1.168 85 L HN 0.561 nan 8.230 nan 0.000 0.434 86 S N 2.755 118.622 115.700 0.278 0.000 2.536 86 S HA 0.450 4.873 4.470 -0.078 0.000 0.271 86 S C 0.382 175.127 174.600 0.242 0.000 1.134 86 S CA -0.637 57.633 58.200 0.116 0.000 0.897 86 S CB 0.967 64.041 63.200 -0.209 0.000 1.094 86 S HN 0.468 nan 8.310 nan 0.000 0.473 87 L N 2.535 123.915 121.223 0.262 0.000 2.554 87 L HA 0.366 4.659 4.340 -0.078 0.000 0.226 87 L C 0.429 177.520 176.870 0.367 0.000 1.137 87 L CA 1.279 56.332 54.840 0.355 0.000 0.863 87 L CB -0.996 41.288 42.059 0.376 0.000 0.985 87 L HN 0.706 nan 8.230 nan 0.000 0.451 88 E N -1.328 118.968 120.200 0.161 0.000 2.340 88 E HA 0.413 4.716 4.350 -0.078 0.000 0.273 88 E C -1.513 174.966 176.600 -0.202 0.000 0.891 88 E CA -0.465 55.995 56.400 0.100 0.000 0.757 88 E CB 2.302 32.021 29.700 0.032 0.000 1.231 88 E HN -0.187 nan 8.360 nan 0.000 0.439 89 F N 1.985 122.036 119.950 0.168 0.000 3.090 89 F HA 0.152 4.632 4.527 -0.079 0.000 0.381 89 F C -0.963 174.923 175.800 0.144 0.000 1.231 89 F CA -0.609 57.484 58.000 0.155 0.000 1.177 89 F CB 0.787 39.870 39.000 0.138 0.000 1.598 89 F HN 0.492 nan 8.300 nan 0.000 0.589 90 Y N 4.707 125.076 120.300 0.114 0.000 2.724 90 Y HA 0.134 4.637 4.550 -0.078 0.000 0.354 90 Y C 1.337 177.270 175.900 0.057 0.000 1.270 90 Y CA -0.634 57.494 58.100 0.047 0.000 1.902 90 Y CB 0.059 38.532 38.460 0.022 0.000 1.981 90 Y HN 0.477 nan 8.280 nan 0.000 0.428 91 M N 0.331 120.065 119.600 0.223 0.000 2.132 91 M HA 0.027 4.460 4.480 -0.078 0.000 0.263 91 M C 1.681 177.969 176.300 -0.021 0.000 1.065 91 M CA 1.322 56.673 55.300 0.085 0.000 1.122 91 M CB -1.360 31.270 32.600 0.049 0.000 1.365 91 M HN 0.596 nan 8.290 nan 0.000 0.411 92 G N 0.595 109.383 108.800 -0.019 0.000 2.512 92 G HA2 -0.248 3.665 3.960 -0.078 0.000 0.240 92 G HA3 -0.248 3.665 3.960 -0.078 0.000 0.240 92 G C -0.305 174.553 174.900 -0.070 0.000 1.246 92 G CA -0.309 44.742 45.100 -0.082 0.000 0.919 92 G HN 0.427 nan 8.290 nan 0.000 0.577 93 R N -0.523 119.913 120.500 -0.107 0.000 2.531 93 R HA 0.598 4.891 4.340 -0.078 0.000 0.273 93 R C 1.013 177.196 176.300 -0.194 0.000 1.070 93 R CA 0.290 56.335 56.100 -0.092 0.000 1.112 93 R CB 0.867 31.121 30.300 -0.078 0.000 1.049 93 R HN 0.539 nan 8.270 nan 0.000 0.508 94 T N 1.110 115.491 114.554 -0.288 0.000 2.978 94 T HA 0.072 4.375 4.350 -0.078 0.000 0.248 94 T C 1.683 176.031 174.700 -0.588 0.000 1.018 94 T CA -0.218 61.505 62.100 -0.629 0.000 1.026 94 T CB 0.170 68.182 68.868 -1.426 0.000 1.032 94 T HN 0.373 nan 8.240 nan 0.000 0.485 95 L N 1.418 122.513 121.223 -0.214 0.000 1.956 95 L HA -0.252 4.041 4.340 -0.078 0.000 0.216 95 L C 2.798 179.666 176.870 -0.004 0.000 1.073 95 L CA 2.067 56.948 54.840 0.068 0.000 0.762 95 L CB -0.385 41.902 42.059 0.380 0.000 0.889 95 L HN 0.329 nan 8.230 nan 0.000 0.433 96 Q N -0.225 119.569 119.800 -0.010 0.000 2.061 96 Q HA -0.284 4.009 4.340 -0.078 0.000 0.204 96 Q C 2.026 177.985 176.000 -0.067 0.000 0.984 96 Q CA 2.179 57.967 55.803 -0.026 0.000 0.846 96 Q CB -0.265 28.449 28.738 -0.040 0.000 0.902 96 Q HN 0.511 nan 8.270 nan 0.000 0.421 97 N N -1.111 117.513 118.700 -0.128 0.000 2.149 97 N HA -0.158 4.535 4.740 -0.078 0.000 0.188 97 N C 1.368 176.817 175.510 -0.102 0.000 1.019 97 N CA 1.871 54.842 53.050 -0.132 0.000 0.857 97 N CB -0.010 38.366 38.487 -0.186 0.000 0.997 97 N HN 0.285 nan 8.380 nan 0.000 0.426 98 T N 1.250 115.716 114.554 -0.147 0.000 2.737 98 T HA -0.045 4.257 4.350 -0.078 0.000 0.265 98 T C 2.091 176.780 174.700 -0.019 0.000 1.038 98 T CA 1.088 63.129 62.100 -0.098 0.000 1.144 98 T CB -0.079 68.703 68.868 -0.143 0.000 0.866 98 T HN 0.254 nan 8.240 nan 0.000 0.434 99 M N 1.152 120.752 119.600 0.001 0.000 2.117 99 M HA -0.109 4.324 4.480 -0.078 0.000 0.262 99 M C 2.671 178.972 176.300 0.001 0.000 1.065 99 M CA 1.451 56.761 55.300 0.017 0.000 1.114 99 M CB -0.717 31.904 32.600 0.036 0.000 1.361 99 M HN 0.296 nan 8.290 nan 0.000 0.408 100 V N -1.447 118.472 119.914 0.009 0.000 2.358 100 V HA -0.177 3.896 4.120 -0.078 0.000 0.246 100 V C 1.830 177.958 176.094 0.056 0.000 1.047 100 V CA 1.914 64.239 62.300 0.041 0.000 1.035 100 V CB -1.053 30.804 31.823 0.058 0.000 0.658 100 V HN 0.423 nan 8.190 nan 0.000 0.452 101 N N 0.730 119.462 118.700 0.053 0.000 2.309 101 N HA 0.029 4.722 4.740 -0.078 0.000 0.182 101 N C 1.546 176.996 175.510 -0.100 0.000 1.018 101 N CA 1.684 54.754 53.050 0.033 0.000 0.876 101 N CB -0.211 38.312 38.487 0.059 0.000 0.972 101 N HN 0.533 nan 8.380 nan 0.000 0.434 102 L N 0.014 121.199 121.223 -0.064 0.000 2.667 102 L HA 0.316 4.609 4.340 -0.078 0.000 0.232 102 L C 0.530 177.341 176.870 -0.099 0.000 1.138 102 L CA -0.197 54.599 54.840 -0.074 0.000 0.921 102 L CB -0.052 41.998 42.059 -0.016 0.000 1.180 102 L HN -0.071 nan 8.230 nan 0.000 0.487 103 A N 0.777 123.534 122.820 -0.105 0.000 2.739 103 A HA -0.201 4.072 4.320 -0.078 0.000 0.296 103 A C 0.849 178.390 177.584 -0.071 0.000 1.488 103 A CA 0.873 52.855 52.037 -0.092 0.000 0.746 103 A CB -1.972 16.955 19.000 -0.122 0.000 1.047 103 A HN 0.461 nan 8.150 nan 0.000 0.477 104 L N -1.510 119.681 121.223 -0.054 0.000 2.731 104 L HA 0.147 4.440 4.340 -0.078 0.000 0.240 104 L C 1.968 178.826 176.870 -0.019 0.000 1.120 104 L CA 0.708 55.516 54.840 -0.055 0.000 0.913 104 L CB 0.042 42.063 42.059 -0.063 0.000 1.213 104 L HN 0.696 nan 8.230 nan 0.000 0.515 105 E N 1.159 121.355 120.200 -0.006 0.000 2.049 105 E HA -0.255 4.048 4.350 -0.078 0.000 0.198 105 E C 1.628 178.230 176.600 0.004 0.000 1.007 105 E CA 1.794 58.198 56.400 0.008 0.000 0.809 105 E CB 0.215 29.920 29.700 0.009 0.000 0.749 105 E HN 0.461 nan 8.360 nan 0.000 0.450 106 N N 0.279 118.976 118.700 -0.006 0.000 2.084 106 N HA -0.157 4.535 4.740 -0.078 0.000 0.190 106 N C 1.792 177.298 175.510 -0.006 0.000 1.030 106 N CA 1.328 54.373 53.050 -0.009 0.000 0.849 106 N CB -0.467 38.012 38.487 -0.013 0.000 1.012 106 N HN 0.240 nan 8.380 nan 0.000 0.423 107 A N 0.784 123.598 122.820 -0.011 0.000 1.933 107 A HA -0.134 4.139 4.320 -0.078 0.000 0.218 107 A C 2.677 180.265 177.584 0.006 0.000 1.175 107 A CA 1.195 53.227 52.037 -0.008 0.000 0.628 107 A CB -0.934 18.052 19.000 -0.024 0.000 0.814 107 A HN 0.426 nan 8.150 nan 0.000 0.444 108 C N -0.982 118.326 119.300 0.014 0.000 2.457 108 C HA -0.037 4.376 4.460 -0.078 0.000 0.278 108 C C 2.458 177.464 174.990 0.028 0.000 1.309 108 C CA 1.130 60.169 59.018 0.035 0.000 1.735 108 C CB -1.030 26.747 27.740 0.061 0.000 1.992 108 C HN 0.795 nan 8.230 nan 0.000 0.493 109 D N 0.792 121.206 120.400 0.024 0.000 2.117 109 D HA -0.169 4.424 4.640 -0.078 0.000 0.197 109 D C 2.071 178.395 176.300 0.040 0.000 0.987 109 D CA 1.554 55.569 54.000 0.025 0.000 0.829 109 D CB -0.156 40.648 40.800 0.007 0.000 0.961 109 D HN 0.415 nan 8.370 nan 0.000 0.460 110 E N -0.040 120.179 120.200 0.031 0.000 2.072 110 E HA -0.012 4.291 4.350 -0.078 0.000 0.191 110 E C 1.902 178.539 176.600 0.062 0.000 0.985 110 E CA 1.390 57.827 56.400 0.062 0.000 0.801 110 E CB -0.616 29.103 29.700 0.031 0.000 0.750 110 E HN 0.283 nan 8.360 nan 0.000 0.452 111 A N -0.036 122.789 122.820 0.009 0.000 1.883 111 A HA -0.212 4.061 4.320 -0.078 0.000 0.217 111 A C 2.490 179.993 177.584 -0.134 0.000 1.186 111 A CA 2.854 54.865 52.037 -0.044 0.000 0.624 111 A CB -1.479 17.503 19.000 -0.031 0.000 0.822 111 A HN 0.508 nan 8.150 nan 0.000 0.444 112 T N -3.518 110.953 114.554 -0.139 0.000 2.777 112 T HA -0.238 4.064 4.350 -0.078 0.000 0.266 112 T C 1.874 176.485 174.700 -0.148 0.000 1.040 112 T CA 1.583 63.541 62.100 -0.236 0.000 1.141 112 T CB -0.653 68.132 68.868 -0.139 0.000 0.868 112 T HN 0.443 nan 8.240 nan 0.000 0.444 113 Y N 2.272 122.493 120.300 -0.131 0.000 2.165 113 Y HA -0.107 4.396 4.550 -0.078 0.000 0.286 113 Y C 2.569 178.405 175.900 -0.106 0.000 1.155 113 Y CA 1.553 59.594 58.100 -0.099 0.000 1.164 113 Y CB -0.603 37.819 38.460 -0.064 0.000 0.978 113 Y HN 0.279 nan 8.280 nan 0.000 0.513 114 Q N -0.418 119.272 119.800 -0.183 0.000 2.437 114 Q HA -0.045 4.248 4.340 -0.078 0.000 0.210 114 Q C 1.497 177.345 176.000 -0.253 0.000 0.972 114 Q CA 0.895 56.561 55.803 -0.229 0.000 0.903 114 Q CB 0.000 28.687 28.738 -0.086 0.000 0.967 114 Q HN 0.519 nan 8.270 nan 0.000 0.486 115 L N -1.384 119.667 121.223 -0.287 0.000 2.640 115 L HA 0.251 4.544 4.340 -0.078 0.000 0.230 115 L C 0.849 177.537 176.870 -0.304 0.000 1.123 115 L CA 0.126 54.789 54.840 -0.294 0.000 0.900 115 L CB 0.500 42.315 42.059 -0.406 0.000 1.146 115 L HN 0.275 nan 8.230 nan 0.000 0.484 116 G N 1.130 109.733 108.800 -0.328 0.000 2.160 116 G HA2 -0.251 3.662 3.960 -0.078 0.000 0.244 116 G HA3 -0.251 3.662 3.960 -0.078 0.000 0.244 116 G C -0.196 174.568 174.900 -0.227 0.000 1.022 116 G CA -0.044 44.888 45.100 -0.280 0.000 0.741 116 G HN 0.228 nan 8.290 nan 0.000 0.508 117 L N -0.236 120.849 121.223 -0.231 0.000 2.354 117 L HA 0.638 4.931 4.340 -0.078 0.000 0.269 117 L C -0.446 176.395 176.870 -0.047 0.000 1.005 117 L CA -1.163 53.575 54.840 -0.169 0.000 0.819 117 L CB 1.962 43.852 42.059 -0.281 0.000 1.311 117 L HN 0.144 nan 8.230 nan 0.000 0.423 118 D N 1.893 122.298 120.400 0.009 0.000 2.373 118 D HA 0.206 4.799 4.640 -0.078 0.000 0.227 118 D C 0.667 177.003 176.300 0.060 0.000 1.091 118 D CA -0.332 53.699 54.000 0.052 0.000 0.840 118 D CB 1.469 42.302 40.800 0.055 0.000 1.060 118 D HN 0.517 nan 8.370 nan 0.000 0.502 119 M N 2.962 122.599 119.600 0.062 0.000 2.213 119 M HA -0.142 4.291 4.480 -0.078 0.000 0.263 119 M C 1.191 177.539 176.300 0.080 0.000 1.062 119 M CA 1.603 56.951 55.300 0.079 0.000 1.105 119 M CB 0.165 32.807 32.600 0.069 0.000 1.385 119 M HN 0.477 nan 8.290 nan 0.000 0.417 120 E N -0.189 120.046 120.200 0.058 0.000 2.106 120 E HA -0.250 4.053 4.350 -0.078 0.000 0.192 120 E C 1.857 178.486 176.600 0.049 0.000 0.984 120 E CA 1.440 57.868 56.400 0.048 0.000 0.806 120 E CB -0.183 29.540 29.700 0.037 0.000 0.750 120 E HN 0.628 nan 8.360 nan 0.000 0.458 121 E N 0.925 121.157 120.200 0.054 0.000 2.072 121 E HA -0.185 4.118 4.350 -0.078 0.000 0.191 121 E C 2.093 178.724 176.600 0.051 0.000 0.985 121 E CA 0.689 57.118 56.400 0.048 0.000 0.801 121 E CB 0.045 29.777 29.700 0.054 0.000 0.750 121 E HN 0.229 nan 8.360 nan 0.000 0.452 122 L N 0.588 121.869 121.223 0.097 0.000 2.093 122 L HA -0.162 4.131 4.340 -0.078 0.000 0.208 122 L C 2.380 179.308 176.870 0.096 0.000 1.085 122 L CA 1.281 56.213 54.840 0.154 0.000 0.755 122 L CB -0.438 41.777 42.059 0.260 0.000 0.904 122 L HN 0.170 nan 8.230 nan 0.000 0.435 123 E N -0.153 120.101 120.200 0.091 0.000 2.110 123 E HA -0.199 4.103 4.350 -0.078 0.000 0.193 123 E C 2.024 178.572 176.600 -0.086 0.000 0.988 123 E CA 0.760 57.185 56.400 0.041 0.000 0.804 123 E CB 0.005 29.740 29.700 0.058 0.000 0.745 123 E HN 0.359 nan 8.360 nan 0.000 0.458 124 E N 0.603 120.769 120.200 -0.057 0.000 2.265 124 E HA -0.155 4.147 4.350 -0.078 0.000 0.196 124 E C 1.972 178.485 176.600 -0.144 0.000 0.996 124 E CA 0.506 56.869 56.400 -0.061 0.000 0.832 124 E CB -0.019 29.679 29.700 -0.003 0.000 0.756 124 E HN 0.296 nan 8.360 nan 0.000 0.491 125 I N 1.072 121.487 120.570 -0.258 0.000 2.226 125 I HA -0.166 3.957 4.170 -0.078 0.000 0.245 125 I C 1.415 177.208 176.117 -0.540 0.000 1.100 125 I CA 0.532 61.597 61.300 -0.390 0.000 1.374 125 I CB -0.933 36.782 38.000 -0.476 0.000 1.057 125 I HN 0.159 nan 8.210 nan 0.000 0.413 126 E N 2.179 121.912 120.200 -0.779 0.000 2.442 126 E HA -0.065 4.238 4.350 -0.078 0.000 0.262 126 E C -0.086 176.430 176.600 -0.141 0.000 1.004 126 E CA 0.158 56.225 56.400 -0.555 0.000 0.928 126 E CB 0.656 30.144 29.700 -0.354 0.000 0.937 126 E HN 0.267 nan 8.360 nan 0.000 0.446 127 E N 2.601 122.818 120.200 0.028 0.000 2.250 127 E HA 0.135 4.438 4.350 -0.078 0.000 0.265 127 E C -0.998 175.699 176.600 0.162 0.000 1.033 127 E CA -0.793 55.686 56.400 0.131 0.000 0.888 127 E CB 0.956 30.800 29.700 0.240 0.000 1.151 127 E HN 0.505 nan 8.360 nan 0.000 0.412 128 D N 0.347 120.828 120.400 0.135 0.000 2.372 128 D HA 0.219 4.812 4.640 -0.078 0.000 0.243 128 D C -0.682 175.672 176.300 0.089 0.000 1.121 128 D CA 0.081 54.135 54.000 0.090 0.000 0.898 128 D CB 0.934 41.773 40.800 0.064 0.000 1.202 128 D HN 0.379 nan 8.370 nan 0.000 0.428 129 A N 1.834 124.655 122.820 0.002 0.000 3.095 129 A HA 0.477 4.750 4.320 -0.078 0.000 0.301 129 A C 0.926 178.384 177.584 -0.209 0.000 1.432 129 A CA -0.620 51.266 52.037 -0.253 0.000 1.140 129 A CB -0.431 18.489 19.000 -0.132 0.000 1.174 129 A HN 0.533 nan 8.150 nan 0.000 0.546 130 G N 1.019 109.696 108.800 -0.204 0.000 3.401 130 G HA2 0.385 4.298 3.960 -0.078 0.000 0.251 130 G HA3 0.385 4.298 3.960 -0.078 0.000 0.251 130 G C 0.309 175.041 174.900 -0.281 0.000 0.960 130 G CA -0.241 44.825 45.100 -0.057 0.000 1.900 130 G HN 0.648 nan 8.290 nan 0.000 0.645 131 L N 1.556 122.643 121.223 -0.227 0.000 2.955 131 L HA 0.395 4.688 4.340 -0.078 0.000 0.238 131 L C 1.002 177.822 176.870 -0.084 0.000 1.359 131 L CA -0.280 54.510 54.840 -0.084 0.000 1.214 131 L CB -0.399 41.713 42.059 0.089 0.000 1.600 131 L HN 0.316 nan 8.230 nan 0.000 0.442 132 G N -1.114 107.428 108.800 -0.430 0.000 2.677 132 G HA2 0.209 4.122 3.960 -0.078 0.000 0.291 132 G HA3 0.209 4.122 3.960 -0.078 0.000 0.291 132 G C -0.149 174.302 174.900 -0.748 0.000 1.435 132 G CA -0.454 44.328 45.100 -0.529 0.000 0.826 132 G HN -0.034 nan 8.290 nan 0.000 0.491 133 N N -0.766 117.696 118.700 -0.396 0.000 2.368 133 N HA 0.200 4.893 4.740 -0.078 0.000 0.178 133 N C 1.166 176.619 175.510 -0.094 0.000 1.021 133 N CA 1.316 54.226 53.050 -0.233 0.000 0.875 133 N CB 1.151 39.617 38.487 -0.036 0.000 1.020 133 N HN 0.802 nan 8.380 nan 0.000 0.433 134 G N -0.750 108.073 108.800 0.038 0.000 2.818 134 G HA2 0.224 4.137 3.960 -0.078 0.000 0.109 134 G HA3 0.224 4.137 3.960 -0.078 0.000 0.109 134 G C 0.743 175.785 174.900 0.236 0.000 1.206 134 G CA 0.252 45.503 45.100 0.253 0.000 1.243 134 G HN 0.160 nan 8.290 nan 0.000 0.609 135 G N 0.458 109.342 108.800 0.141 0.000 2.476 135 G HA2 -0.146 3.766 3.960 -0.078 0.000 0.218 135 G HA3 -0.146 3.766 3.960 -0.078 0.000 0.218 135 G C 1.901 176.814 174.900 0.021 0.000 1.164 135 G CA 1.554 46.698 45.100 0.073 0.000 0.768 135 G HN 0.807 nan 8.290 nan 0.000 0.560 136 L N 0.623 121.829 121.223 -0.028 0.000 2.012 136 L HA 0.024 4.317 4.340 -0.078 0.000 0.210 136 L C 2.832 179.644 176.870 -0.098 0.000 1.073 136 L CA 2.161 56.904 54.840 -0.161 0.000 0.748 136 L CB -0.583 41.320 42.059 -0.260 0.000 0.891 136 L HN 0.252 nan 8.230 nan 0.000 0.431 137 G N -0.851 107.940 108.800 -0.014 0.000 2.403 137 G HA2 -0.282 3.631 3.960 -0.078 0.000 0.216 137 G HA3 -0.282 3.631 3.960 -0.078 0.000 0.216 137 G C 1.624 176.589 174.900 0.109 0.000 1.154 137 G CA 0.623 45.727 45.100 0.006 0.000 0.784 137 G HN 0.289 nan 8.290 nan 0.000 0.538 138 R N 0.040 120.658 120.500 0.197 0.000 2.115 138 R HA 0.116 4.409 4.340 -0.078 0.000 0.230 138 R C 2.284 178.603 176.300 0.031 0.000 1.111 138 R CA 0.774 56.967 56.100 0.155 0.000 0.976 138 R CB -0.863 29.496 30.300 0.098 0.000 0.870 138 R HN 0.334 nan 8.270 nan 0.000 0.445 139 L N 0.137 121.306 121.223 -0.091 0.000 2.046 139 L HA 0.021 4.314 4.340 -0.078 0.000 0.208 139 L C 2.069 178.641 176.870 -0.498 0.000 1.077 139 L CA 2.164 56.803 54.840 -0.334 0.000 0.747 139 L CB -0.889 40.931 42.059 -0.398 0.000 0.896 139 L HN 0.241 nan 8.230 nan 0.000 0.432 140 A N -0.585 122.057 122.820 -0.295 0.000 1.940 140 A HA -0.149 4.124 4.320 -0.078 0.000 0.219 140 A C 2.440 180.073 177.584 0.080 0.000 1.176 140 A CA 1.881 53.793 52.037 -0.208 0.000 0.631 140 A CB -1.134 17.659 19.000 -0.345 0.000 0.814 140 A HN 0.575 nan 8.150 nan 0.000 0.446 141 A N -1.007 121.901 122.820 0.147 0.000 1.873 141 A HA -0.163 4.110 4.320 -0.078 0.000 0.215 141 A C 2.321 180.014 177.584 0.181 0.000 1.186 141 A CA 1.650 53.826 52.037 0.231 0.000 0.616 141 A CB -1.303 17.820 19.000 0.204 0.000 0.823 141 A HN 0.598 nan 8.150 nan 0.000 0.442 142 C N -1.497 117.905 119.300 0.169 0.000 2.425 142 C HA -0.073 4.340 4.460 -0.078 0.000 0.277 142 C C 2.429 177.607 174.990 0.313 0.000 1.280 142 C CA 0.639 59.797 59.018 0.234 0.000 1.744 142 C CB -1.653 26.243 27.740 0.261 0.000 1.989 142 C HN 0.599 nan 8.230 nan 0.000 0.491 143 F N 1.239 121.189 119.950 0.001 0.000 2.134 143 F HA -0.084 4.396 4.527 -0.079 0.000 0.299 143 F C 2.241 178.015 175.800 -0.043 0.000 1.097 143 F CA 1.069 59.018 58.000 -0.085 0.000 1.264 143 F CB -1.275 37.519 39.000 -0.344 0.000 1.001 143 F HN 0.205 nan 8.300 nan 0.000 0.479 144 L N -0.590 120.752 121.223 0.199 0.000 2.046 144 L HA -0.231 4.062 4.340 -0.078 0.000 0.208 144 L C 2.386 179.314 176.870 0.096 0.000 1.077 144 L CA 1.863 56.781 54.840 0.130 0.000 0.747 144 L CB -0.820 41.322 42.059 0.139 0.000 0.896 144 L HN 0.161 nan 8.230 nan 0.000 0.432 145 D N -0.062 120.403 120.400 0.108 0.000 2.123 145 D HA -0.173 4.420 4.640 -0.078 0.000 0.196 145 D C 2.064 178.415 176.300 0.084 0.000 0.992 145 D CA 1.613 55.662 54.000 0.081 0.000 0.833 145 D CB 0.353 41.197 40.800 0.073 0.000 0.954 145 D HN 0.217 nan 8.370 nan 0.000 0.455 146 S N -0.236 115.525 115.700 0.101 0.000 2.406 146 S HA -0.041 4.382 4.470 -0.078 0.000 0.228 146 S C 2.099 176.733 174.600 0.057 0.000 1.020 146 S CA 0.616 58.862 58.200 0.077 0.000 0.965 146 S CB -0.031 63.214 63.200 0.075 0.000 0.798 146 S HN 0.336 nan 8.310 nan 0.000 0.488 147 M N 0.933 120.563 119.600 0.051 0.000 2.175 147 M HA -0.052 4.381 4.480 -0.078 0.000 0.264 147 M C 2.464 178.791 176.300 0.045 0.000 1.063 147 M CA 1.353 56.681 55.300 0.046 0.000 1.119 147 M CB -0.503 32.110 32.600 0.022 0.000 1.377 147 M HN 0.379 nan 8.290 nan 0.000 0.415 148 A N -0.268 122.580 122.820 0.048 0.000 1.898 148 A HA -0.111 4.162 4.320 -0.078 0.000 0.216 148 A C 2.166 179.788 177.584 0.064 0.000 1.181 148 A CA 1.937 54.007 52.037 0.055 0.000 0.620 148 A CB -1.038 17.994 19.000 0.053 0.000 0.819 148 A HN 0.405 nan 8.150 nan 0.000 0.442 149 T N 0.153 114.750 114.554 0.072 0.000 2.915 149 T HA 0.033 4.336 4.350 -0.078 0.000 0.269 149 T C 1.136 175.879 174.700 0.072 0.000 1.071 149 T CA 0.910 63.062 62.100 0.086 0.000 1.132 149 T CB -0.257 68.671 68.868 0.100 0.000 0.878 149 T HN 0.328 nan 8.240 nan 0.000 0.479 150 L N 0.667 121.928 121.223 0.064 0.000 2.791 150 L HA 0.315 4.608 4.340 -0.078 0.000 0.239 150 L C 1.516 178.425 176.870 0.064 0.000 1.203 150 L CA -0.285 54.592 54.840 0.061 0.000 1.002 150 L CB -0.440 41.655 42.059 0.060 0.000 1.295 150 L HN 0.326 nan 8.230 nan 0.000 0.504 151 G N 1.320 110.161 108.800 0.068 0.000 2.379 151 G HA2 -0.291 3.622 3.960 -0.078 0.000 0.297 151 G HA3 -0.291 3.622 3.960 -0.078 0.000 0.297 151 G C 0.178 175.134 174.900 0.093 0.000 1.004 151 G CA 0.278 45.431 45.100 0.088 0.000 0.921 151 G HN 0.335 nan 8.290 nan 0.000 0.511 152 L N -0.477 120.777 121.223 0.051 0.000 2.334 152 L HA 0.592 4.885 4.340 -0.078 0.000 0.277 152 L C 1.174 177.956 176.870 -0.147 0.000 1.075 152 L CA -0.442 54.386 54.840 -0.021 0.000 0.804 152 L CB 1.643 43.703 42.059 0.002 0.000 1.174 152 L HN 0.221 nan 8.230 nan 0.000 0.438 153 A N 2.853 125.439 122.820 -0.390 0.000 3.037 153 A HA 0.546 4.819 4.320 -0.078 0.000 0.272 153 A C 0.401 177.687 177.584 -0.497 0.000 1.723 153 A CA -0.192 51.306 52.037 -0.899 0.000 1.413 153 A CB -0.667 17.607 19.000 -1.210 0.000 1.112 153 A HN 0.712 nan 8.150 nan 0.000 0.606 154 A N 1.006 123.611 122.820 -0.359 0.000 2.306 154 A HA 0.836 5.109 4.320 -0.078 0.000 0.330 154 A C -0.902 176.530 177.584 -0.254 0.000 1.146 154 A CA -0.355 51.540 52.037 -0.237 0.000 0.827 154 A CB 0.649 19.549 19.000 -0.166 0.000 1.178 154 A HN 0.580 nan 8.150 nan 0.000 0.490 155 Y N -0.782 119.438 120.300 -0.133 0.000 2.553 155 Y HA 0.598 5.101 4.550 -0.078 0.000 0.347 155 Y C 0.584 176.621 175.900 0.227 0.000 1.019 155 Y CA -0.682 57.455 58.100 0.061 0.000 1.032 155 Y CB 2.476 41.066 38.460 0.217 0.000 1.284 155 Y HN 0.856 nan 8.280 nan 0.000 0.466 156 G N 1.209 110.185 108.800 0.294 0.000 2.557 156 G HA2 0.539 4.452 3.960 -0.078 0.000 0.310 156 G HA3 0.539 4.452 3.960 -0.078 0.000 0.310 156 G C -2.131 172.839 174.900 0.117 0.000 1.328 156 G CA -0.433 44.832 45.100 0.274 0.000 0.945 156 G HN 0.406 nan 8.290 nan 0.000 0.494 157 Y N 1.189 121.718 120.300 0.381 0.000 2.364 157 Y HA 0.707 5.210 4.550 -0.077 0.000 0.340 157 Y C 0.776 176.981 175.900 0.508 0.000 0.975 157 Y CA 0.110 58.417 58.100 0.346 0.000 1.089 157 Y CB 2.692 41.392 38.460 0.400 0.000 1.192 157 Y HN 0.858 nan 8.280 nan 0.000 0.454 158 G N 2.183 111.299 108.800 0.526 0.000 2.650 158 G HA2 0.553 4.466 3.960 -0.078 0.000 0.310 158 G HA3 0.553 4.466 3.960 -0.078 0.000 0.310 158 G C -1.722 173.420 174.900 0.403 0.000 1.270 158 G CA -0.867 44.562 45.100 0.549 0.000 0.810 158 G HN 0.437 nan 8.290 nan 0.000 0.493 159 I N 0.490 121.188 120.570 0.213 0.000 2.460 159 I HA 0.440 4.563 4.170 -0.078 0.000 0.298 159 I C 0.420 176.434 176.117 -0.172 0.000 0.989 159 I CA -0.728 60.581 61.300 0.015 0.000 1.173 159 I CB 2.073 39.877 38.000 -0.326 0.000 1.338 159 I HN 0.385 nan 8.210 nan 0.000 0.456 160 R N 5.900 126.382 120.500 -0.030 0.000 2.870 160 R HA 0.236 4.529 4.340 -0.078 0.000 0.254 160 R C -1.285 175.046 176.300 0.052 0.000 1.392 160 R CA -0.495 55.618 56.100 0.022 0.000 1.322 160 R CB -0.043 30.233 30.300 -0.039 0.000 1.205 160 R HN 0.395 nan 8.270 nan 0.000 0.597 161 Y N 1.473 121.913 120.300 0.232 0.000 2.526 161 Y HA -0.093 4.409 4.550 -0.079 0.000 0.330 161 Y C 1.575 177.653 175.900 0.296 0.000 1.156 161 Y CA 0.168 58.402 58.100 0.223 0.000 1.419 161 Y CB 0.823 39.393 38.460 0.184 0.000 1.250 161 Y HN 0.599 nan 8.280 nan 0.000 0.540 162 E N 2.054 122.414 120.200 0.268 0.000 2.208 162 E HA -0.053 4.250 4.350 -0.078 0.000 0.193 162 E C -0.789 175.628 176.600 -0.304 0.000 0.988 162 E CA 0.693 57.023 56.400 -0.118 0.000 0.828 162 E CB 0.164 29.660 29.700 -0.339 0.000 0.763 162 E HN 0.481 nan 8.360 nan 0.000 0.478 163 F N -0.168 120.023 119.950 0.401 0.000 2.496 163 F HA 0.433 4.913 4.527 -0.079 0.000 0.341 163 F C 0.778 176.689 175.800 0.184 0.000 1.134 163 F CA -0.797 57.392 58.000 0.316 0.000 0.968 163 F CB 1.642 40.745 39.000 0.172 0.000 1.205 163 F HN -0.090 nan 8.300 nan 0.000 0.436 164 G N 1.864 110.798 108.800 0.223 0.000 2.580 164 G HA2 0.259 4.172 3.960 -0.078 0.000 0.225 164 G HA3 0.259 4.172 3.960 -0.078 0.000 0.225 164 G C -0.337 174.535 174.900 -0.046 0.000 1.521 164 G CA -0.543 44.530 45.100 -0.045 0.000 1.068 164 G HN 0.510 nan 8.290 nan 0.000 0.564 165 I N 0.965 121.436 120.570 -0.165 0.000 2.683 165 I HA 0.243 4.366 4.170 -0.078 0.000 0.286 165 I C 0.505 176.541 176.117 -0.135 0.000 1.175 165 I CA -1.200 59.972 61.300 -0.214 0.000 1.429 165 I CB -0.179 37.604 38.000 -0.362 0.000 1.371 165 I HN 0.328 nan 8.210 nan 0.000 0.569 166 F N 6.493 126.460 119.950 0.030 0.000 2.628 166 F HA 0.215 4.694 4.527 -0.079 0.000 0.362 166 F C 0.430 176.285 175.800 0.092 0.000 1.148 166 F CA -0.484 57.554 58.000 0.064 0.000 1.352 166 F CB -0.340 38.682 39.000 0.037 0.000 1.081 166 F HN 0.426 nan 8.300 nan 0.000 0.605 167 N N 3.098 121.989 118.700 0.319 0.000 2.411 167 N HA 0.021 4.714 4.740 -0.078 0.000 0.259 167 N C -0.659 175.099 175.510 0.414 0.000 1.103 167 N CA -0.203 52.999 53.050 0.254 0.000 0.954 167 N CB 1.067 39.689 38.487 0.225 0.000 1.085 167 N HN 0.768 nan 8.380 nan 0.000 0.485 168 Q N 2.834 122.864 119.800 0.383 0.000 2.295 168 Q HA 0.087 4.380 4.340 -0.078 0.000 0.259 168 Q C -0.815 175.369 176.000 0.307 0.000 0.976 168 Q CA -0.128 55.956 55.803 0.469 0.000 0.923 168 Q CB 0.547 29.567 28.738 0.469 0.000 1.185 168 Q HN 0.175 nan 8.270 nan 0.000 0.410 169 K N 4.082 124.634 120.400 0.254 0.000 2.156 169 K HA 0.504 4.777 4.320 -0.078 0.000 0.254 169 K C -0.555 176.153 176.600 0.179 0.000 0.950 169 K CA -0.809 55.596 56.287 0.196 0.000 0.849 169 K CB 1.478 34.070 32.500 0.153 0.000 1.100 169 K HN 0.626 nan 8.250 nan 0.000 0.434 170 I N 2.072 122.739 120.570 0.162 0.000 2.389 170 I HA 0.198 4.321 4.170 -0.078 0.000 0.288 170 I C -0.048 176.136 176.117 0.111 0.000 0.999 170 I CA -0.465 60.916 61.300 0.134 0.000 1.129 170 I CB 1.256 39.337 38.000 0.136 0.000 1.288 170 I HN 0.576 nan 8.210 nan 0.000 0.444 171 S N 2.873 118.646 115.700 0.121 0.000 2.614 171 S HA 0.661 5.084 4.470 -0.078 0.000 0.288 171 S C 0.443 175.144 174.600 0.168 0.000 1.137 171 S CA -0.049 58.221 58.200 0.116 0.000 0.992 171 S CB 1.838 65.097 63.200 0.099 0.000 1.026 171 S HN 1.208 nan 8.310 nan 0.000 0.486 172 G N 1.721 110.594 108.800 0.122 0.000 2.179 172 G HA2 0.130 4.043 3.960 -0.078 0.000 0.257 172 G HA3 0.130 4.043 3.960 -0.078 0.000 0.257 172 G C 1.324 176.241 174.900 0.028 0.000 1.010 172 G CA 0.697 45.886 45.100 0.148 0.000 0.736 172 G HN 2.533 nan 8.290 nan 0.000 0.513 173 G N -2.702 106.062 108.800 -0.059 0.000 2.184 173 G HA2 -0.309 3.604 3.960 -0.078 0.000 0.264 173 G HA3 -0.309 3.604 3.960 -0.078 0.000 0.264 173 G C 0.421 175.102 174.900 -0.365 0.000 0.975 173 G CA 0.780 45.730 45.100 -0.251 0.000 0.642 173 G HN 1.221 nan 8.290 nan 0.000 0.536 174 W N 0.906 122.153 121.300 -0.089 0.000 2.449 174 W HA 0.642 5.255 4.660 -0.079 0.000 0.331 174 W C 0.709 177.178 176.519 -0.083 0.000 1.119 174 W CA -0.764 56.522 57.345 -0.099 0.000 1.240 174 W CB 0.736 30.156 29.460 -0.066 0.000 1.251 174 W HN 0.283 nan 8.180 nan 0.000 0.576 175 Q N 3.147 123.054 119.800 0.178 0.000 2.332 175 Q HA 0.241 4.534 4.340 -0.078 0.000 0.263 175 Q C -0.666 175.393 176.000 0.097 0.000 0.979 175 Q CA 0.240 56.119 55.803 0.126 0.000 0.885 175 Q CB 0.544 29.349 28.738 0.112 0.000 1.218 175 Q HN 0.345 nan 8.270 nan 0.000 0.405 176 M N 4.684 124.331 119.600 0.080 0.000 2.142 176 M HA 0.244 4.676 4.480 -0.078 0.000 0.299 176 M C -0.990 175.295 176.300 -0.026 0.000 0.960 176 M CA -0.708 54.597 55.300 0.009 0.000 0.920 176 M CB 1.610 34.238 32.600 0.046 0.000 1.541 176 M HN 0.703 nan 8.290 nan 0.000 0.429 177 E N 2.198 122.270 120.200 -0.212 0.000 2.313 177 E HA 0.442 4.745 4.350 -0.078 0.000 0.276 177 E C -1.025 175.531 176.600 -0.073 0.000 1.031 177 E CA -0.253 55.955 56.400 -0.321 0.000 0.857 177 E CB 2.064 31.163 29.700 -1.001 0.000 1.040 177 E HN 0.660 nan 8.360 nan 0.000 0.408 178 E N 0.918 121.180 120.200 0.103 0.000 2.272 178 E HA 0.501 4.804 4.350 -0.078 0.000 0.269 178 E C -1.140 175.555 176.600 0.158 0.000 0.877 178 E CA -1.009 55.452 56.400 0.102 0.000 0.755 178 E CB 1.883 31.661 29.700 0.130 0.000 1.192 178 E HN 0.662 nan 8.360 nan 0.000 0.422 179 A N 3.195 126.062 122.820 0.080 0.000 2.565 179 A HA -0.012 4.261 4.320 -0.078 0.000 0.237 179 A C 0.007 177.750 177.584 0.265 0.000 1.053 179 A CA 0.378 52.473 52.037 0.096 0.000 0.755 179 A CB 0.070 18.997 19.000 -0.121 0.000 0.980 179 A HN 0.649 nan 8.150 nan 0.000 0.506 180 D N 1.686 122.314 120.400 0.381 0.000 2.524 180 D HA 0.204 4.797 4.640 -0.078 0.000 0.222 180 D C -0.303 176.316 176.300 0.532 0.000 1.142 180 D CA -0.265 53.968 54.000 0.388 0.000 0.973 180 D CB 0.286 41.261 40.800 0.292 0.000 1.025 180 D HN 0.399 nan 8.370 nan 0.000 0.519 181 D N 3.491 124.160 120.400 0.448 0.000 2.767 181 D HA -0.047 4.546 4.640 -0.078 0.000 0.231 181 D C 1.219 177.611 176.300 0.153 0.000 1.105 181 D CA -0.542 53.630 54.000 0.286 0.000 1.024 181 D CB -0.210 40.746 40.800 0.261 0.000 1.123 181 D HN 0.542 nan 8.370 nan 0.000 0.470 182 W N 1.495 122.821 121.300 0.044 0.000 2.424 182 W HA -0.093 4.520 4.660 -0.079 0.000 0.264 182 W C 0.081 176.629 176.519 0.049 0.000 1.229 182 W CA 0.174 57.559 57.345 0.067 0.000 1.208 182 W CB -0.783 28.726 29.460 0.082 0.000 1.127 182 W HN 0.212 nan 8.180 nan 0.000 0.588 183 L N 0.824 121.614 121.223 -0.721 0.000 2.607 183 L HA 0.173 4.466 4.340 -0.078 0.000 0.228 183 L C 2.779 179.434 176.870 -0.358 0.000 1.123 183 L CA -0.076 54.324 54.840 -0.733 0.000 0.890 183 L CB -0.626 40.856 42.059 -0.963 0.000 1.103 183 L HN -0.114 nan 8.230 nan 0.000 0.468 184 R N 0.701 121.036 120.500 -0.276 0.000 2.133 184 R HA -0.236 4.057 4.340 -0.078 0.000 0.245 184 R C 1.101 177.162 176.300 -0.398 0.000 1.137 184 R CA 2.136 58.020 56.100 -0.362 0.000 0.947 184 R CB -0.187 29.812 30.300 -0.502 0.000 0.865 184 R HN 0.306 nan 8.270 nan 0.000 0.437 185 Y N -0.291 120.035 120.300 0.043 0.000 2.532 185 Y HA 0.332 4.835 4.550 -0.078 0.000 0.283 185 Y C 0.820 176.740 175.900 0.034 0.000 1.181 185 Y CA 0.366 58.526 58.100 0.098 0.000 1.256 185 Y CB 0.545 39.193 38.460 0.314 0.000 1.112 185 Y HN 0.435 nan 8.280 nan 0.000 0.521 186 G N 1.388 110.203 108.800 0.025 0.000 2.781 186 G HA2 -0.245 3.668 3.960 -0.078 0.000 0.683 186 G HA3 -0.245 3.668 3.960 -0.078 0.000 0.683 186 G C -1.073 173.848 174.900 0.035 0.000 1.390 186 G CA -0.727 44.339 45.100 -0.058 0.000 0.850 186 G HN 0.318 nan 8.290 nan 0.000 0.557 187 N N 1.072 119.748 118.700 -0.040 0.000 2.531 187 N HA 0.554 5.247 4.740 -0.078 0.000 0.268 187 N C -0.569 174.912 175.510 -0.049 0.000 1.023 187 N CA -1.814 51.261 53.050 0.042 0.000 0.896 187 N CB 2.152 40.637 38.487 -0.002 0.000 1.233 187 N HN 0.256 nan 8.380 nan 0.000 0.512 188 P HA -0.002 nan 4.420 nan 0.000 0.222 188 P C 0.701 177.663 177.300 -0.563 0.000 1.153 188 P CA 0.813 63.575 63.100 -0.564 0.000 0.798 188 P CB 0.138 31.259 31.700 -0.965 0.000 0.796 189 W N 2.127 123.405 121.300 -0.036 0.000 2.519 189 W HA 0.013 4.626 4.660 -0.079 0.000 0.266 189 W C 1.264 177.755 176.519 -0.045 0.000 1.253 189 W CA -0.213 57.108 57.345 -0.041 0.000 1.274 189 W CB -0.483 28.985 29.460 0.013 0.000 1.114 189 W HN 0.081 nan 8.180 nan 0.000 0.596 190 E N 1.352 121.651 120.200 0.165 0.000 2.283 190 E HA 0.431 4.734 4.350 -0.078 0.000 0.267 190 E C -0.626 175.999 176.600 0.041 0.000 1.045 190 E CA -0.932 55.544 56.400 0.126 0.000 0.884 190 E CB 1.319 31.154 29.700 0.225 0.000 1.106 190 E HN -0.341 nan 8.360 nan 0.000 0.408 191 K N 1.164 121.558 120.400 -0.009 0.000 2.579 191 K HA 0.434 4.707 4.320 -0.078 0.000 0.250 191 K C -1.330 175.154 176.600 -0.194 0.000 0.952 191 K CA -0.479 55.748 56.287 -0.100 0.000 0.857 191 K CB 1.652 34.050 32.500 -0.169 0.000 1.123 191 K HN 0.685 nan 8.250 nan 0.000 0.433 192 A N 3.958 126.579 122.820 -0.332 0.000 2.425 192 A HA 0.444 4.717 4.320 -0.078 0.000 0.249 192 A C -0.330 177.008 177.584 -0.409 0.000 1.084 192 A CA -0.254 51.337 52.037 -0.743 0.000 0.781 192 A CB 0.268 18.807 19.000 -0.769 0.000 1.019 192 A HN 0.641 nan 8.150 nan 0.000 0.490 193 R N 3.126 123.404 120.500 -0.371 0.000 2.868 193 R HA 0.207 4.500 4.340 -0.078 0.000 0.289 193 R C -2.403 173.791 176.300 -0.176 0.000 1.443 193 R CA -1.883 54.105 56.100 -0.188 0.000 1.651 193 R CB 0.461 30.797 30.300 0.059 0.000 1.242 193 R HN 0.588 nan 8.270 nan 0.000 0.621 194 P HA -0.192 nan 4.420 nan 0.000 0.223 194 P C 0.805 178.035 177.300 -0.117 0.000 1.144 194 P CA 1.183 64.211 63.100 -0.120 0.000 0.783 194 P CB 0.442 32.074 31.700 -0.114 0.000 0.771 195 E N -0.378 119.668 120.200 -0.257 0.000 2.371 195 E HA -0.091 4.212 4.350 -0.078 0.000 0.194 195 E C 0.428 176.862 176.600 -0.277 0.000 1.012 195 E CA 0.583 56.778 56.400 -0.343 0.000 0.860 195 E CB -0.663 28.695 29.700 -0.570 0.000 0.811 195 E HN 0.236 nan 8.360 nan 0.000 0.502 196 F N 2.860 122.839 119.950 0.048 0.000 2.925 196 F HA 0.204 4.684 4.527 -0.078 0.000 0.302 196 F C 0.362 176.259 175.800 0.162 0.000 1.189 196 F CA -0.865 57.194 58.000 0.098 0.000 1.346 196 F CB -0.136 38.927 39.000 0.105 0.000 0.954 196 F HN -0.192 nan 8.300 nan 0.000 0.506 197 T N -0.422 114.289 114.554 0.263 0.000 2.918 197 T HA 0.624 4.927 4.350 -0.078 0.000 0.302 197 T C -0.227 174.589 174.700 0.193 0.000 1.045 197 T CA -0.357 61.891 62.100 0.247 0.000 1.114 197 T CB 1.420 70.388 68.868 0.166 0.000 0.965 197 T HN 0.162 nan 8.240 nan 0.000 0.540 198 L N 3.462 124.764 121.223 0.132 0.000 2.370 198 L HA 0.565 4.858 4.340 -0.078 0.000 0.266 198 L C -2.295 174.519 176.870 -0.092 0.000 1.002 198 L CA -2.797 52.040 54.840 -0.005 0.000 0.818 198 L CB 2.753 44.747 42.059 -0.109 0.000 1.325 198 L HN 0.522 nan 8.230 nan 0.000 0.418 199 P HA 0.219 nan 4.420 nan 0.000 0.285 199 P C -1.150 175.916 177.300 -0.390 0.000 1.259 199 P CA -0.301 62.663 63.100 -0.226 0.000 0.794 199 P CB 1.890 33.458 31.700 -0.219 0.000 0.940 200 V N 4.447 124.123 119.914 -0.398 0.000 2.487 200 V HA 0.298 4.371 4.120 -0.078 0.000 0.298 200 V C 0.257 176.035 176.094 -0.526 0.000 1.028 200 V CA -0.642 61.401 62.300 -0.429 0.000 0.860 200 V CB 1.318 32.983 31.823 -0.264 0.000 0.991 200 V HN 0.605 nan 8.190 nan 0.000 0.427 201 H N 3.910 122.815 119.070 -0.275 0.000 2.472 201 H HA 0.668 5.177 4.556 -0.078 0.000 0.335 201 H C -1.229 173.773 175.328 -0.544 0.000 1.136 201 H CA -0.260 55.509 56.048 -0.464 0.000 1.264 201 H CB 1.782 30.973 29.762 -0.952 0.000 1.486 201 H HN 0.473 nan 8.280 nan 0.000 0.517 202 F N 0.086 120.049 119.950 0.022 0.000 2.613 202 F HA 0.218 4.698 4.527 -0.079 0.000 0.310 202 F C -0.315 175.546 175.800 0.101 0.000 1.085 202 F CA -0.672 57.329 58.000 0.001 0.000 0.945 202 F CB 0.840 39.737 39.000 -0.171 0.000 1.298 202 F HN 0.526 nan 8.300 nan 0.000 0.455 203 Y N 0.102 120.699 120.300 0.495 0.000 2.904 203 Y HA 0.001 4.504 4.550 -0.079 0.000 0.466 203 Y C 1.460 177.617 175.900 0.428 0.000 1.202 203 Y CA 0.699 59.014 58.100 0.359 0.000 2.492 203 Y CB -1.871 36.727 38.460 0.231 0.000 1.237 203 Y HN 1.337 nan 8.280 nan 0.000 0.633 204 G N 0.354 109.454 108.800 0.500 0.000 2.601 204 G HA2 0.145 4.058 3.960 -0.078 0.000 0.252 204 G HA3 0.145 4.058 3.960 -0.078 0.000 0.252 204 G C -0.600 174.614 174.900 0.523 0.000 1.294 204 G CA 1.152 46.493 45.100 0.402 0.000 0.912 204 G HN 2.006 nan 8.290 nan 0.000 0.574 205 H N -2.997 116.272 119.070 0.331 0.000 2.918 205 H HA 0.676 5.185 4.556 -0.080 0.000 0.303 205 H C -1.258 174.203 175.328 0.221 0.000 1.380 205 H CA -0.225 55.964 56.048 0.236 0.000 1.134 205 H CB 1.055 30.894 29.762 0.127 0.000 1.842 205 H HN 1.041 nan 8.280 nan 0.000 0.533 206 V N 1.471 121.374 119.914 -0.019 0.000 2.459 206 V HA 0.278 4.351 4.120 -0.078 0.000 0.295 206 V C -0.198 175.738 176.094 -0.263 0.000 1.029 206 V CA -0.721 61.453 62.300 -0.210 0.000 0.874 206 V CB 1.514 33.165 31.823 -0.286 0.000 0.985 206 V HN 0.602 nan 8.190 nan 0.000 0.438 207 E N 3.297 123.316 120.200 -0.302 0.000 2.129 207 E HA 0.365 4.668 4.350 -0.078 0.000 0.268 207 E C -0.853 175.607 176.600 -0.232 0.000 0.900 207 E CA -0.644 55.645 56.400 -0.186 0.000 0.755 207 E CB 1.234 30.872 29.700 -0.102 0.000 1.117 207 E HN 0.593 nan 8.360 nan 0.000 0.410 208 H N 2.208 121.286 119.070 0.013 0.000 2.800 208 H HA 0.189 4.704 4.556 -0.069 0.000 0.291 208 H C 0.611 175.942 175.328 0.005 0.000 1.076 208 H CA 0.114 56.164 56.048 0.003 0.000 1.452 208 H CB 0.597 30.359 29.762 -0.001 0.000 1.461 208 H HN 0.447 nan 8.280 nan 0.000 0.488 209 T N -0.904 113.708 114.554 0.095 0.000 2.888 209 T HA 0.222 4.525 4.350 -0.078 0.000 0.288 209 T C 1.121 175.851 174.700 0.051 0.000 1.063 209 T CA -0.931 61.204 62.100 0.059 0.000 1.010 209 T CB 1.330 70.216 68.868 0.029 0.000 1.214 209 T HN 0.284 nan 8.240 nan 0.000 0.533 210 S N 1.075 116.797 115.700 0.035 0.000 2.603 210 S HA -0.015 4.408 4.470 -0.078 0.000 0.229 210 S C 1.073 175.688 174.600 0.025 0.000 0.972 210 S CA 0.300 58.517 58.200 0.027 0.000 0.935 210 S CB -0.335 62.878 63.200 0.021 0.000 0.769 210 S HN 0.758 nan 8.310 nan 0.000 0.536 211 Q N 0.342 120.157 119.800 0.026 0.000 2.129 211 Q HA 0.495 4.788 4.340 -0.078 0.000 0.274 211 Q C 0.416 176.430 176.000 0.024 0.000 0.854 211 Q CA -0.141 55.676 55.803 0.022 0.000 1.123 211 Q CB 0.077 28.825 28.738 0.017 0.000 1.226 211 Q HN 0.248 nan 8.270 nan 0.000 0.454 212 G N 0.673 109.494 108.800 0.034 0.000 2.541 212 G HA2 0.165 4.078 3.960 -0.078 0.000 0.686 212 G HA3 0.165 4.078 3.960 -0.078 0.000 0.686 212 G C -1.180 173.747 174.900 0.045 0.000 1.286 212 G CA -0.567 44.558 45.100 0.041 0.000 0.894 212 G HN 0.604 nan 8.290 nan 0.000 0.575 213 A N 0.628 123.478 122.820 0.050 0.000 2.320 213 A HA 0.691 4.964 4.320 -0.078 0.000 0.287 213 A C 0.268 177.829 177.584 -0.038 0.000 1.181 213 A CA -0.110 51.932 52.037 0.008 0.000 0.831 213 A CB 0.508 19.531 19.000 0.039 0.000 1.102 213 A HN 0.580 nan 8.150 nan 0.000 0.513 214 K N 2.364 122.716 120.400 -0.080 0.000 2.307 214 K HA 0.155 4.428 4.320 -0.078 0.000 0.263 214 K C -1.296 175.281 176.600 -0.039 0.000 0.973 214 K CA -0.247 56.009 56.287 -0.053 0.000 0.846 214 K CB 1.529 33.991 32.500 -0.063 0.000 1.100 214 K HN 0.764 nan 8.250 nan 0.000 0.438 215 W N 6.011 127.176 121.300 -0.225 0.000 2.367 215 W HA 0.281 4.897 4.660 -0.072 0.000 0.329 215 W C -0.389 175.978 176.519 -0.253 0.000 1.066 215 W CA -1.092 56.107 57.345 -0.243 0.000 1.435 215 W CB -0.149 29.184 29.460 -0.211 0.000 1.296 215 W HN 0.293 nan 8.180 nan 0.000 0.401 216 V N 2.641 122.476 119.914 -0.133 0.000 3.177 216 V HA 0.570 4.643 4.120 -0.078 0.000 0.319 216 V C 0.178 176.182 176.094 -0.151 0.000 1.125 216 V CA -0.853 61.313 62.300 -0.223 0.000 1.029 216 V CB 1.696 33.395 31.823 -0.207 0.000 1.119 216 V HN 0.444 nan 8.190 nan 0.000 0.452 217 D N 0.214 120.569 120.400 -0.076 0.000 2.708 217 D HA -0.152 4.441 4.640 -0.078 0.000 0.236 217 D C 0.619 176.933 176.300 0.024 0.000 1.146 217 D CA 1.451 55.468 54.000 0.027 0.000 0.662 217 D CB -1.565 39.330 40.800 0.159 0.000 1.059 217 D HN 1.246 nan 8.370 nan 0.000 0.428 218 T N -3.055 111.430 114.554 -0.115 0.000 2.847 218 T HA 0.368 4.671 4.350 -0.078 0.000 0.279 218 T C 0.290 175.033 174.700 0.071 0.000 0.984 218 T CA -0.793 61.246 62.100 -0.100 0.000 0.988 218 T CB 2.588 71.145 68.868 -0.518 0.000 1.040 218 T HN 0.204 nan 8.240 nan 0.000 0.528 219 Q N 0.746 120.669 119.800 0.205 0.000 2.271 219 Q HA 0.554 4.847 4.340 -0.078 0.000 0.258 219 Q C -1.608 174.536 176.000 0.240 0.000 0.936 219 Q CA -0.856 55.100 55.803 0.255 0.000 0.909 219 Q CB 1.402 30.392 28.738 0.419 0.000 1.253 219 Q HN 0.612 nan 8.270 nan 0.000 0.440 220 V N 4.111 124.124 119.914 0.164 0.000 2.513 220 V HA 0.530 4.603 4.120 -0.078 0.000 0.299 220 V C -0.549 175.633 176.094 0.146 0.000 1.035 220 V CA -0.641 61.712 62.300 0.088 0.000 0.889 220 V CB 1.876 33.699 31.823 -0.001 0.000 0.988 220 V HN 0.661 nan 8.190 nan 0.000 0.440 221 V N 5.597 125.618 119.914 0.177 0.000 2.709 221 V HA 0.496 4.569 4.120 -0.078 0.000 0.308 221 V C -0.330 175.889 176.094 0.208 0.000 1.062 221 V CA -0.566 61.874 62.300 0.233 0.000 0.901 221 V CB 2.009 34.054 31.823 0.370 0.000 1.003 221 V HN 0.638 nan 8.190 nan 0.000 0.425 222 L N 3.283 124.628 121.223 0.203 0.000 2.379 222 L HA 0.829 5.122 4.340 -0.078 0.000 0.269 222 L C 0.371 177.457 176.870 0.360 0.000 1.084 222 L CA -0.477 54.476 54.840 0.189 0.000 0.802 222 L CB 1.505 43.650 42.059 0.143 0.000 1.175 222 L HN 0.752 nan 8.230 nan 0.000 0.448 223 A N 3.973 126.935 122.820 0.236 0.000 2.291 223 A HA 0.628 4.901 4.320 -0.078 0.000 0.311 223 A C -0.632 177.252 177.584 0.500 0.000 1.224 223 A CA -0.467 51.760 52.037 0.316 0.000 0.821 223 A CB 1.160 19.857 19.000 -0.506 0.000 1.172 223 A HN 0.773 nan 8.150 nan 0.000 0.494 224 M N 6.144 126.096 119.600 0.587 0.000 2.149 224 M HA 0.467 4.900 4.480 -0.078 0.000 0.342 224 M C -2.626 173.930 176.300 0.426 0.000 1.068 224 M CA -2.157 53.410 55.300 0.444 0.000 0.991 224 M CB 2.206 34.986 32.600 0.300 0.000 1.596 224 M HN 0.394 nan 8.290 nan 0.000 0.439 225 P HA 0.211 nan 4.420 nan 0.000 0.284 225 P C -1.940 175.272 177.300 -0.146 0.000 1.253 225 P CA -0.074 62.855 63.100 -0.285 0.000 0.800 225 P CB 0.649 31.971 31.700 -0.628 0.000 0.961 226 Y N 0.910 121.079 120.300 -0.217 0.000 2.331 226 Y HA 0.283 4.786 4.550 -0.079 0.000 0.334 226 Y C 0.355 176.150 175.900 -0.176 0.000 0.960 226 Y CA -0.202 57.823 58.100 -0.125 0.000 1.130 226 Y CB 1.296 39.725 38.460 -0.052 0.000 1.164 226 Y HN 0.230 nan 8.280 nan 0.000 0.458 227 D N 2.264 122.626 120.400 -0.064 0.000 2.198 227 D HA 0.377 4.970 4.640 -0.078 0.000 0.245 227 D C -0.605 175.615 176.300 -0.135 0.000 1.079 227 D CA -0.136 53.784 54.000 -0.133 0.000 0.854 227 D CB 1.740 42.421 40.800 -0.198 0.000 1.148 227 D HN 0.379 nan 8.370 nan 0.000 0.456 228 T N 2.813 117.294 114.554 -0.122 0.000 2.841 228 T HA 0.445 4.748 4.350 -0.078 0.000 0.285 228 T C -2.578 172.056 174.700 -0.110 0.000 0.991 228 T CA -1.432 60.623 62.100 -0.075 0.000 0.966 228 T CB 2.041 70.912 68.868 0.005 0.000 0.962 228 T HN 0.018 nan 8.240 nan 0.000 0.438 229 P HA 0.346 nan 4.420 nan 0.000 0.271 229 P C -1.061 176.257 177.300 0.030 0.000 1.216 229 P CA -0.461 62.610 63.100 -0.048 0.000 0.776 229 P CB 0.628 32.293 31.700 -0.059 0.000 0.881 230 V N 5.270 125.239 119.914 0.092 0.000 2.380 230 V HA 0.353 4.425 4.120 -0.078 0.000 0.286 230 V C -2.192 173.941 176.094 0.065 0.000 1.015 230 V CA -1.805 60.520 62.300 0.042 0.000 0.834 230 V CB 1.811 33.651 31.823 0.028 0.000 1.009 230 V HN 0.555 nan 8.190 nan 0.000 0.428 231 P HA 0.342 nan 4.420 nan 0.000 0.290 231 P C 0.143 177.471 177.300 0.046 0.000 1.276 231 P CA 0.092 63.218 63.100 0.045 0.000 0.808 231 P CB 2.033 33.750 31.700 0.029 0.000 0.966 232 G N 2.190 111.019 108.800 0.049 0.000 2.562 232 G HA2 0.180 4.093 3.960 -0.078 0.000 0.275 232 G HA3 0.180 4.093 3.960 -0.078 0.000 0.275 232 G C -1.240 173.711 174.900 0.086 0.000 1.196 232 G CA -0.439 44.703 45.100 0.069 0.000 0.908 232 G HN 0.465 nan 8.290 nan 0.000 0.524 233 Y N 1.669 121.959 120.300 -0.017 0.000 2.584 233 Y HA 0.237 4.740 4.550 -0.079 0.000 0.351 233 Y C 1.214 177.095 175.900 -0.032 0.000 1.030 233 Y CA -0.563 57.518 58.100 -0.032 0.000 1.332 233 Y CB 0.192 38.626 38.460 -0.042 0.000 1.148 233 Y HN 0.580 nan 8.280 nan 0.000 0.528 234 R N 2.920 123.107 120.500 -0.521 0.000 3.610 234 R HA -0.333 3.960 4.340 -0.078 0.000 0.274 234 R C -0.047 176.127 176.300 -0.209 0.000 1.123 234 R CA 1.356 57.196 56.100 -0.433 0.000 0.747 234 R CB -2.635 27.276 30.300 -0.649 0.000 1.149 234 R HN 0.972 nan 8.270 nan 0.000 0.471 235 N N -0.755 117.874 118.700 -0.119 0.000 2.171 235 N HA 0.013 4.706 4.740 -0.078 0.000 0.212 235 N C -0.142 175.326 175.510 -0.069 0.000 1.184 235 N CA -0.397 52.610 53.050 -0.072 0.000 0.888 235 N CB 0.448 38.918 38.487 -0.029 0.000 1.038 235 N HN 0.029 nan 8.380 nan 0.000 0.517 236 N N 0.020 118.681 118.700 -0.067 0.000 2.800 236 N HA -0.125 4.568 4.740 -0.078 0.000 0.250 236 N C -1.072 174.404 175.510 -0.057 0.000 1.078 236 N CA 0.536 53.554 53.050 -0.054 0.000 0.804 236 N CB -1.276 37.173 38.487 -0.063 0.000 1.135 236 N HN 0.171 nan 8.380 nan 0.000 0.565 237 V N 1.385 121.275 119.914 -0.040 0.000 2.364 237 V HA 0.391 4.464 4.120 -0.078 0.000 0.272 237 V C 0.501 176.597 176.094 0.004 0.000 1.036 237 V CA -0.472 61.807 62.300 -0.036 0.000 0.880 237 V CB 1.942 33.770 31.823 0.007 0.000 0.991 237 V HN -0.030 nan 8.190 nan 0.000 0.460 238 V N 5.818 125.728 119.914 -0.006 0.000 2.409 238 V HA 0.371 4.444 4.120 -0.078 0.000 0.290 238 V C 0.183 176.326 176.094 0.080 0.000 1.017 238 V CA -0.743 61.612 62.300 0.092 0.000 0.841 238 V CB 1.232 33.176 31.823 0.202 0.000 1.003 238 V HN 0.906 nan 8.190 nan 0.000 0.426 239 N N 2.051 120.812 118.700 0.101 0.000 2.443 239 N HA 0.579 5.272 4.740 -0.078 0.000 0.294 239 N C -0.384 175.249 175.510 0.206 0.000 1.289 239 N CA -0.625 52.448 53.050 0.038 0.000 0.966 239 N CB 0.766 39.225 38.487 -0.047 0.000 1.122 239 N HN 0.584 nan 8.380 nan 0.000 0.569 240 T N 0.798 115.384 114.554 0.052 0.000 2.861 240 T HA 0.375 4.678 4.350 -0.078 0.000 0.287 240 T C -0.813 173.883 174.700 -0.007 0.000 1.003 240 T CA -0.504 61.705 62.100 0.181 0.000 0.977 240 T CB 1.234 70.292 68.868 0.316 0.000 0.996 240 T HN 0.323 nan 8.240 nan 0.000 0.448 241 M N 3.274 122.827 119.600 -0.078 0.000 2.114 241 M HA 0.626 5.059 4.480 -0.078 0.000 0.332 241 M C -0.784 175.343 176.300 -0.288 0.000 1.014 241 M CA -0.798 54.359 55.300 -0.238 0.000 0.956 241 M CB 0.893 33.321 32.600 -0.287 0.000 1.551 241 M HN 0.434 nan 8.290 nan 0.000 0.427 242 R N 5.435 125.648 120.500 -0.478 0.000 2.275 242 R HA 0.612 4.905 4.340 -0.078 0.000 0.326 242 R C -1.996 173.950 176.300 -0.591 0.000 0.973 242 R CA -0.204 55.514 56.100 -0.637 0.000 0.854 242 R CB 0.734 30.361 30.300 -1.123 0.000 1.156 242 R HN 0.807 nan 8.270 nan 0.000 0.487 243 L N 4.429 125.423 121.223 -0.381 0.000 2.329 243 L HA 0.584 4.877 4.340 -0.078 0.000 0.279 243 L C -0.641 176.128 176.870 -0.170 0.000 1.014 243 L CA -0.930 53.800 54.840 -0.183 0.000 0.814 243 L CB 1.463 43.504 42.059 -0.030 0.000 1.257 243 L HN 0.509 nan 8.230 nan 0.000 0.424 244 W N 1.408 122.824 121.300 0.193 0.000 2.438 244 W HA 0.512 5.126 4.660 -0.077 0.000 0.324 244 W C 0.411 177.171 176.519 0.402 0.000 1.119 244 W CA -0.296 57.216 57.345 0.279 0.000 1.221 244 W CB 1.538 31.074 29.460 0.126 0.000 1.253 244 W HN 0.315 nan 8.180 nan 0.000 0.555 245 S N 1.749 117.862 115.700 0.689 0.000 2.502 245 S HA 0.747 5.170 4.470 -0.078 0.000 0.304 245 S C -0.422 174.508 174.600 0.549 0.000 1.097 245 S CA -0.692 57.799 58.200 0.485 0.000 1.045 245 S CB 0.496 63.938 63.200 0.402 0.000 1.019 245 S HN 0.539 nan 8.310 nan 0.000 0.481 246 A N 5.029 128.002 122.820 0.256 0.000 2.401 246 A HA 0.674 4.946 4.320 -0.078 0.000 0.259 246 A C -0.274 177.408 177.584 0.163 0.000 1.103 246 A CA -0.206 51.906 52.037 0.125 0.000 0.789 246 A CB 0.277 19.091 19.000 -0.309 0.000 1.035 246 A HN 0.669 nan 8.150 nan 0.000 0.491 247 K N 0.886 121.405 120.400 0.199 0.000 2.477 247 K HA 0.649 4.922 4.320 -0.078 0.000 0.255 247 K C -0.398 176.275 176.600 0.121 0.000 0.952 247 K CA -0.509 55.867 56.287 0.147 0.000 0.826 247 K CB 2.045 34.641 32.500 0.160 0.000 1.331 247 K HN 0.792 nan 8.250 nan 0.000 0.437 248 A N 3.308 126.181 122.820 0.088 0.000 2.425 248 A HA 0.396 4.669 4.320 -0.078 0.000 0.249 248 A C -1.627 176.002 177.584 0.075 0.000 1.084 248 A CA -0.647 51.435 52.037 0.074 0.000 0.781 248 A CB -0.662 18.370 19.000 0.052 0.000 1.019 248 A HN 0.478 nan 8.150 nan 0.000 0.490 262 Y N 1.432 121.735 120.300 0.006 0.000 2.114 262 Y HA -0.074 4.429 4.550 -0.078 0.000 0.284 262 Y C 2.264 178.168 175.900 0.008 0.000 1.143 262 Y CA 1.745 59.849 58.100 0.007 0.000 1.135 262 Y CB 0.035 38.499 38.460 0.006 0.000 0.980 262 Y HN 0.196 nan 8.280 nan 0.000 0.499 263 I N 0.575 121.034 120.570 -0.185 0.000 2.226 263 I HA -0.282 3.841 4.170 -0.078 0.000 0.245 263 I C 2.364 178.359 176.117 -0.205 0.000 1.100 263 I CA 1.737 62.872 61.300 -0.275 0.000 1.374 263 I CB -1.515 36.454 38.000 -0.053 0.000 1.057 263 I HN 0.338 nan 8.210 nan 0.000 0.413 264 Q N 1.230 120.968 119.800 -0.104 0.000 2.170 264 Q HA -0.093 4.200 4.340 -0.078 0.000 0.203 264 Q C 2.221 178.168 176.000 -0.088 0.000 0.976 264 Q CA 2.065 57.825 55.803 -0.072 0.000 0.858 264 Q CB -0.314 28.405 28.738 -0.032 0.000 0.907 264 Q HN 0.469 nan 8.270 nan 0.000 0.433 265 A N -0.751 122.004 122.820 -0.109 0.000 1.902 265 A HA -0.129 4.143 4.320 -0.078 0.000 0.217 265 A C 2.248 179.758 177.584 -0.124 0.000 1.181 265 A CA 1.668 53.651 52.037 -0.091 0.000 0.623 265 A CB -0.817 18.145 19.000 -0.064 0.000 0.818 265 A HN 0.261 nan 8.150 nan 0.000 0.443 266 V N 0.335 120.110 119.914 -0.232 0.000 2.343 266 V HA -0.238 3.835 4.120 -0.078 0.000 0.247 266 V C 2.517 178.541 176.094 -0.117 0.000 1.051 266 V CA 1.836 64.013 62.300 -0.204 0.000 1.036 266 V CB -0.772 30.851 31.823 -0.335 0.000 0.654 266 V HN 0.565 nan 8.190 nan 0.000 0.451 267 L N -0.245 120.912 121.223 -0.111 0.000 2.141 267 L HA -0.151 4.142 4.340 -0.078 0.000 0.209 267 L C 2.119 178.965 176.870 -0.040 0.000 1.094 267 L CA 1.294 56.096 54.840 -0.064 0.000 0.763 267 L CB -0.710 41.316 42.059 -0.056 0.000 0.908 267 L HN 0.336 nan 8.230 nan 0.000 0.437 268 D N -0.117 120.257 120.400 -0.043 0.000 2.312 268 D HA -0.077 4.516 4.640 -0.078 0.000 0.211 268 D C 2.243 178.536 176.300 -0.011 0.000 0.964 268 D CA 0.495 54.481 54.000 -0.023 0.000 0.877 268 D CB 0.027 40.814 40.800 -0.022 0.000 0.924 268 D HN 0.196 nan 8.370 nan 0.000 0.515 269 R N 0.539 121.029 120.500 -0.016 0.000 2.096 269 R HA -0.181 4.112 4.340 -0.078 0.000 0.240 269 R C 1.942 178.249 176.300 0.012 0.000 1.139 269 R CA 1.473 57.573 56.100 0.001 0.000 0.952 269 R CB -0.386 29.913 30.300 -0.003 0.000 0.854 269 R HN 0.143 nan 8.270 nan 0.000 0.436 270 N N 0.849 119.554 118.700 0.008 0.000 2.247 270 N HA -0.178 4.515 4.740 -0.078 0.000 0.189 270 N C 1.557 177.080 175.510 0.021 0.000 1.009 270 N CA 1.045 54.106 53.050 0.018 0.000 0.872 270 N CB -0.140 38.355 38.487 0.014 0.000 0.980 270 N HN 0.189 nan 8.380 nan 0.000 0.436 271 L N -0.511 120.720 121.223 0.014 0.000 2.131 271 L HA -0.093 4.200 4.340 -0.078 0.000 0.210 271 L C 2.381 179.259 176.870 0.014 0.000 1.092 271 L CA 1.105 55.953 54.840 0.013 0.000 0.759 271 L CB -0.590 41.473 42.059 0.007 0.000 0.903 271 L HN 0.278 nan 8.230 nan 0.000 0.435 272 A N -0.136 122.696 122.820 0.020 0.000 2.121 272 A HA -0.162 4.110 4.320 -0.078 0.000 0.218 272 A C 1.951 179.539 177.584 0.007 0.000 1.154 272 A CA 1.191 53.242 52.037 0.023 0.000 0.679 272 A CB -0.335 18.694 19.000 0.047 0.000 0.795 272 A HN 0.519 nan 8.150 nan 0.000 0.458 273 E N -0.017 120.192 120.200 0.015 0.000 2.489 273 E HA -0.017 4.286 4.350 -0.078 0.000 0.193 273 E C 0.639 177.240 176.600 0.001 0.000 1.057 273 E CA -0.156 56.248 56.400 0.008 0.000 0.866 273 E CB -0.095 29.628 29.700 0.039 0.000 0.916 273 E HN 0.447 nan 8.360 nan 0.000 0.500 274 N N 1.082 119.787 118.700 0.009 0.000 2.520 274 N HA -0.066 4.627 4.740 -0.078 0.000 0.185 274 N C 1.561 177.085 175.510 0.023 0.000 1.068 274 N CA 0.603 53.673 53.050 0.033 0.000 0.911 274 N CB 0.034 38.540 38.487 0.031 0.000 0.961 274 N HN 0.310 nan 8.380 nan 0.000 0.446 275 I N 0.342 120.875 120.570 -0.061 0.000 2.286 275 I HA -0.205 3.918 4.170 -0.078 0.000 0.248 275 I C 1.313 177.396 176.117 -0.057 0.000 1.115 275 I CA 1.088 62.321 61.300 -0.112 0.000 1.392 275 I CB -0.103 37.702 38.000 -0.326 0.000 1.065 275 I HN 0.101 nan 8.210 nan 0.000 0.418 276 S N -0.406 115.249 115.700 -0.075 0.000 2.574 276 S HA 0.256 4.679 4.470 -0.078 0.000 0.242 276 S C 1.533 176.251 174.600 0.197 0.000 0.982 276 S CA -0.657 57.569 58.200 0.042 0.000 0.977 276 S CB 0.167 63.352 63.200 -0.025 0.000 0.814 276 S HN 0.216 nan 8.310 nan 0.000 0.464 277 R N 0.845 121.478 120.500 0.222 0.000 2.062 277 R HA 0.244 4.537 4.340 -0.078 0.000 0.229 277 R C 0.583 177.155 176.300 0.453 0.000 1.128 277 R CA 0.886 57.169 56.100 0.305 0.000 0.960 277 R CB -0.360 30.086 30.300 0.243 0.000 0.855 277 R HN 0.464 nan 8.270 nan 0.000 0.432 278 V N 0.684 120.818 119.914 0.366 0.000 3.012 278 V HA 0.292 4.365 4.120 -0.078 0.000 0.307 278 V C -1.466 174.608 176.094 -0.034 0.000 1.166 278 V CA -1.243 61.203 62.300 0.243 0.000 0.974 278 V CB 2.086 33.971 31.823 0.105 0.000 1.040 278 V HN 0.068 nan 8.190 nan 0.000 0.428 279 L N 6.160 127.103 121.223 -0.468 0.000 2.367 279 L HA 0.492 4.785 4.340 -0.078 0.000 0.275 279 L C -0.901 175.777 176.870 -0.320 0.000 1.129 279 L CA 0.387 54.668 54.840 -0.931 0.000 0.839 279 L CB 0.554 42.003 42.059 -1.016 0.000 1.133 279 L HN 0.690 nan 8.230 nan 0.000 0.453 280 Y N 6.792 126.979 120.300 -0.190 0.000 2.496 280 Y HA 0.213 4.716 4.550 -0.077 0.000 0.334 280 Y C -1.367 174.513 175.900 -0.034 0.000 1.080 280 Y CA -1.326 56.749 58.100 -0.042 0.000 1.355 280 Y CB 0.423 38.891 38.460 0.012 0.000 1.193 280 Y HN 0.575 nan 8.280 nan 0.000 0.523 281 P HA -0.041 nan 4.420 nan 0.000 0.271 281 P C -0.843 176.567 177.300 0.182 0.000 1.535 281 P CA 0.292 63.472 63.100 0.133 0.000 0.820 281 P CB 0.024 31.870 31.700 0.242 0.000 1.606 282 N N 1.326 120.150 118.700 0.208 0.000 2.438 282 N HA 0.201 4.894 4.740 -0.078 0.000 0.282 282 N C -0.730 174.925 175.510 0.241 0.000 1.037 282 N CA 0.074 53.276 53.050 0.253 0.000 0.942 282 N CB 1.171 39.850 38.487 0.320 0.000 1.136 282 N HN 0.051 nan 8.380 nan 0.000 0.481 283 D N 0.736 121.318 120.400 0.304 0.000 2.408 283 D HA 0.261 4.854 4.640 -0.078 0.000 0.243 283 D C -0.253 176.335 176.300 0.480 0.000 1.075 283 D CA -0.317 53.896 54.000 0.355 0.000 0.832 283 D CB 0.375 41.407 40.800 0.385 0.000 1.162 283 D HN 0.329 nan 8.370 nan 0.000 0.515 284 N N 2.711 121.606 118.700 0.325 0.000 2.721 284 N HA -0.258 4.435 4.740 -0.078 0.000 0.249 284 N C -1.191 174.531 175.510 0.353 0.000 1.072 284 N CA 0.717 53.914 53.050 0.245 0.000 0.710 284 N CB -0.883 37.657 38.487 0.087 0.000 0.993 284 N HN 0.359 nan 8.380 nan 0.000 0.547 285 F N 0.600 120.651 119.950 0.167 0.000 2.588 285 F HA 0.424 4.905 4.527 -0.077 0.000 0.318 285 F C -1.200 174.674 175.800 0.124 0.000 1.155 285 F CA -1.190 56.883 58.000 0.121 0.000 0.967 285 F CB 0.848 39.886 39.000 0.064 0.000 1.236 285 F HN -0.061 nan 8.300 nan 0.000 0.455 286 F N 6.288 125.733 119.950 -0.841 0.000 2.404 286 F HA 0.420 4.900 4.527 -0.078 0.000 0.358 286 F C -0.330 174.952 175.800 -0.863 0.000 1.120 286 F CA -0.319 57.264 58.000 -0.696 0.000 1.144 286 F CB 0.587 39.248 39.000 -0.565 0.000 1.133 286 F HN 0.591 nan 8.300 nan 0.000 0.495 287 E N 4.105 123.691 120.200 -1.022 0.000 2.129 287 E HA 0.405 4.708 4.350 -0.078 0.000 0.268 287 E C 0.077 175.998 176.600 -1.132 0.000 0.900 287 E CA -0.727 55.216 56.400 -0.762 0.000 0.755 287 E CB 1.123 30.733 29.700 -0.150 0.000 1.117 287 E HN 0.899 nan 8.360 nan 0.000 0.410 288 G N 5.373 113.503 108.800 -1.116 0.000 3.401 288 G HA2 0.030 3.943 3.960 -0.078 0.000 0.251 288 G HA3 0.030 3.943 3.960 -0.078 0.000 0.251 288 G C -0.143 174.713 174.900 -0.073 0.000 0.960 288 G CA -0.314 44.300 45.100 -0.811 0.000 1.900 288 G HN 0.227 nan 8.290 nan 0.000 0.645 289 K N 0.590 120.970 120.400 -0.033 0.000 2.205 289 K HA 0.151 4.424 4.320 -0.078 0.000 0.279 289 K C 0.999 177.684 176.600 0.142 0.000 1.027 289 K CA -0.602 55.732 56.287 0.078 0.000 0.932 289 K CB 2.169 34.709 32.500 0.067 0.000 1.032 289 K HN 0.452 nan 8.250 nan 0.000 0.466 290 E N 3.340 123.602 120.200 0.103 0.000 2.118 290 E HA -0.189 4.114 4.350 -0.078 0.000 0.195 290 E C 1.362 177.948 176.600 -0.022 0.000 0.992 290 E CA 0.860 57.266 56.400 0.010 0.000 0.804 290 E CB 0.220 29.938 29.700 0.029 0.000 0.741 290 E HN 0.516 nan 8.360 nan 0.000 0.458 291 L N 0.633 121.891 121.223 0.059 0.000 2.046 291 L HA -0.203 4.090 4.340 -0.078 0.000 0.208 291 L C 2.804 179.731 176.870 0.094 0.000 1.077 291 L CA 1.574 56.476 54.840 0.103 0.000 0.747 291 L CB -0.267 41.946 42.059 0.256 0.000 0.896 291 L HN 0.126 nan 8.230 nan 0.000 0.432 292 R N 0.188 120.655 120.500 -0.055 0.000 2.096 292 R HA -0.207 4.086 4.340 -0.078 0.000 0.235 292 R C 2.031 178.339 176.300 0.012 0.000 1.127 292 R CA 1.602 57.597 56.100 -0.176 0.000 0.968 292 R CB -0.813 29.125 30.300 -0.604 0.000 0.861 292 R HN 0.327 nan 8.270 nan 0.000 0.440 293 L N 0.724 121.879 121.223 -0.114 0.000 2.093 293 L HA -0.028 4.265 4.340 -0.078 0.000 0.208 293 L C 1.671 178.479 176.870 -0.103 0.000 1.085 293 L CA 1.850 56.448 54.840 -0.404 0.000 0.755 293 L CB -0.345 41.151 42.059 -0.940 0.000 0.904 293 L HN 0.138 nan 8.230 nan 0.000 0.435 294 K N -0.886 119.499 120.400 -0.026 0.000 2.097 294 K HA -0.178 4.095 4.320 -0.078 0.000 0.206 294 K C 2.064 178.844 176.600 0.299 0.000 1.049 294 K CA 1.694 58.053 56.287 0.119 0.000 0.933 294 K CB -0.167 32.220 32.500 -0.188 0.000 0.717 294 K HN 0.532 nan 8.250 nan 0.000 0.442 295 Q N 0.701 120.630 119.800 0.216 0.000 2.084 295 Q HA -0.183 4.110 4.340 -0.078 0.000 0.202 295 Q C 1.931 178.126 176.000 0.326 0.000 0.978 295 Q CA 1.420 57.401 55.803 0.296 0.000 0.844 295 Q CB -0.044 28.884 28.738 0.316 0.000 0.898 295 Q HN 0.401 nan 8.270 nan 0.000 0.426 296 E N -0.042 120.304 120.200 0.243 0.000 2.051 296 E HA -0.210 4.093 4.350 -0.078 0.000 0.192 296 E C 1.779 178.478 176.600 0.166 0.000 0.991 296 E CA 1.052 57.578 56.400 0.210 0.000 0.799 296 E CB -0.179 29.633 29.700 0.185 0.000 0.748 296 E HN 0.316 nan 8.360 nan 0.000 0.449 297 Y N 0.706 121.044 120.300 0.064 0.000 2.200 297 Y HA -0.238 4.266 4.550 -0.078 0.000 0.290 297 Y C 2.017 177.923 175.900 0.009 0.000 1.137 297 Y CA 1.174 59.258 58.100 -0.028 0.000 1.163 297 Y CB -0.472 37.948 38.460 -0.068 0.000 0.988 297 Y HN 0.017 nan 8.280 nan 0.000 0.518 298 F N -0.122 119.796 119.950 -0.053 0.000 2.043 298 F HA -0.296 4.184 4.527 -0.079 0.000 0.297 298 F C 2.553 178.175 175.800 -0.296 0.000 1.118 298 F CA 2.255 60.179 58.000 -0.127 0.000 1.202 298 F CB -1.181 37.902 39.000 0.138 0.000 0.965 298 F HN -0.044 nan 8.300 nan 0.000 0.482 299 V N -0.326 119.529 119.914 -0.099 0.000 2.407 299 V HA -0.209 3.864 4.120 -0.078 0.000 0.248 299 V C 2.156 178.064 176.094 -0.310 0.000 1.055 299 V CA 2.009 64.209 62.300 -0.168 0.000 1.049 299 V CB -0.479 31.468 31.823 0.206 0.000 0.662 299 V HN 0.287 nan 8.190 nan 0.000 0.455 300 V N 0.528 120.271 119.914 -0.284 0.000 2.270 300 V HA -0.168 3.905 4.120 -0.078 0.000 0.245 300 V C 2.868 178.675 176.094 -0.478 0.000 1.043 300 V CA 2.174 64.295 62.300 -0.298 0.000 1.014 300 V CB -1.195 30.510 31.823 -0.197 0.000 0.645 300 V HN 0.657 nan 8.190 nan 0.000 0.447 301 A N -0.088 122.268 122.820 -0.773 0.000 1.877 301 A HA -0.151 4.122 4.320 -0.078 0.000 0.216 301 A C 2.412 179.607 177.584 -0.649 0.000 1.186 301 A CA 2.303 53.907 52.037 -0.722 0.000 0.620 301 A CB -0.892 17.505 19.000 -1.006 0.000 0.822 301 A HN 0.577 nan 8.150 nan 0.000 0.443 302 A N -1.160 121.096 122.820 -0.940 0.000 1.877 302 A HA -0.086 4.187 4.320 -0.078 0.000 0.216 302 A C 2.324 179.381 177.584 -0.877 0.000 1.186 302 A CA 2.344 53.636 52.037 -1.241 0.000 0.620 302 A CB -1.391 16.186 19.000 -2.371 0.000 0.822 302 A HN 0.428 nan 8.150 nan 0.000 0.443 303 T N 0.272 114.446 114.554 -0.633 0.000 2.684 303 T HA -0.144 4.159 4.350 -0.078 0.000 0.267 303 T C 1.730 176.186 174.700 -0.408 0.000 1.036 303 T CA 1.754 63.688 62.100 -0.277 0.000 1.148 303 T CB -0.345 68.404 68.868 -0.198 0.000 0.863 303 T HN 0.219 nan 8.240 nan 0.000 0.436 304 L N 0.957 121.971 121.223 -0.350 0.000 2.093 304 L HA -0.007 4.286 4.340 -0.078 0.000 0.208 304 L C 2.636 179.387 176.870 -0.199 0.000 1.085 304 L CA 1.509 56.186 54.840 -0.272 0.000 0.755 304 L CB -0.793 41.146 42.059 -0.200 0.000 0.904 304 L HN 0.294 nan 8.230 nan 0.000 0.435 305 Q N -0.843 118.837 119.800 -0.200 0.000 2.050 305 Q HA -0.251 4.042 4.340 -0.078 0.000 0.202 305 Q C 1.837 177.800 176.000 -0.061 0.000 0.980 305 Q CA 1.750 57.485 55.803 -0.113 0.000 0.840 305 Q CB -0.200 28.456 28.738 -0.137 0.000 0.898 305 Q HN 0.440 nan 8.270 nan 0.000 0.424 306 D N 0.573 120.938 120.400 -0.058 0.000 2.117 306 D HA -0.122 4.471 4.640 -0.078 0.000 0.197 306 D C 1.696 177.947 176.300 -0.082 0.000 0.987 306 D CA 0.921 54.945 54.000 0.039 0.000 0.829 306 D CB -0.054 40.924 40.800 0.296 0.000 0.961 306 D HN 0.159 nan 8.370 nan 0.000 0.460 307 I N 0.168 120.558 120.570 -0.299 0.000 2.163 307 I HA -0.255 3.868 4.170 -0.078 0.000 0.243 307 I C 2.326 178.410 176.117 -0.054 0.000 1.085 307 I CA 0.846 61.876 61.300 -0.450 0.000 1.347 307 I CB -0.226 37.331 38.000 -0.737 0.000 1.044 307 I HN 0.101 nan 8.210 nan 0.000 0.408 308 I N 0.133 120.743 120.570 0.068 0.000 2.315 308 I HA -0.271 3.852 4.170 -0.078 0.000 0.248 308 I C 2.802 179.062 176.117 0.238 0.000 1.117 308 I CA 1.023 62.484 61.300 0.269 0.000 1.404 308 I CB -0.446 37.677 38.000 0.205 0.000 1.071 308 I HN 0.225 nan 8.210 nan 0.000 0.419 309 R N 1.421 121.994 120.500 0.123 0.000 2.081 309 R HA -0.211 4.082 4.340 -0.078 0.000 0.235 309 R C 2.452 178.815 176.300 0.106 0.000 1.131 309 R CA 1.716 57.875 56.100 0.097 0.000 0.960 309 R CB -0.266 30.068 30.300 0.057 0.000 0.856 309 R HN 0.264 nan 8.270 nan 0.000 0.436 310 R N -0.485 120.082 120.500 0.112 0.000 2.092 310 R HA -0.157 4.136 4.340 -0.078 0.000 0.231 310 R C 2.215 178.594 176.300 0.131 0.000 1.119 310 R CA 1.527 57.708 56.100 0.135 0.000 0.970 310 R CB -0.471 29.900 30.300 0.117 0.000 0.864 310 R HN 0.246 nan 8.270 nan 0.000 0.440 311 F N 1.800 121.755 119.950 0.008 0.000 2.095 311 F HA -0.179 4.302 4.527 -0.077 0.000 0.298 311 F C 1.783 177.570 175.800 -0.021 0.000 1.104 311 F CA 1.756 59.750 58.000 -0.010 0.000 1.232 311 F CB -0.104 38.944 39.000 0.081 0.000 0.987 311 F HN -0.091 nan 8.300 nan 0.000 0.475 312 K N 0.012 120.384 120.400 -0.047 0.000 2.026 312 K HA -0.114 4.159 4.320 -0.078 0.000 0.208 312 K C 1.111 177.623 176.600 -0.147 0.000 1.048 312 K CA 1.430 57.606 56.287 -0.184 0.000 0.929 312 K CB -0.589 31.893 32.500 -0.030 0.000 0.713 312 K HN 0.350 nan 8.250 nan 0.000 0.439 313 S N 1.002 116.684 115.700 -0.029 0.000 3.869 313 S HA 0.111 4.534 4.470 -0.078 0.000 0.241 313 S C 0.806 175.465 174.600 0.098 0.000 1.363 313 S CA -0.421 57.792 58.200 0.021 0.000 0.894 313 S CB 0.640 63.870 63.200 0.051 0.000 1.519 313 S HN 0.203 nan 8.310 nan 0.000 0.470 314 S N 1.318 117.017 115.700 -0.003 0.000 2.478 314 S HA 0.125 4.548 4.470 -0.078 0.000 0.222 314 S C 0.690 175.368 174.600 0.130 0.000 1.008 314 S CA -0.274 57.941 58.200 0.024 0.000 0.928 314 S CB -0.344 62.770 63.200 -0.144 0.000 0.781 314 S HN 0.691 nan 8.310 nan 0.000 0.518 315 K N 1.295 121.746 120.400 0.084 0.000 2.412 315 K HA 0.154 4.427 4.320 -0.078 0.000 0.281 315 K C -0.664 176.029 176.600 0.155 0.000 1.027 315 K CA -0.652 55.700 56.287 0.109 0.000 0.989 315 K CB 0.111 32.644 32.500 0.055 0.000 0.935 315 K HN 0.229 nan 8.250 nan 0.000 0.475 316 F N 3.761 123.749 119.950 0.064 0.000 2.538 316 F HA 0.208 4.688 4.527 -0.079 0.000 0.371 316 F C 1.305 177.097 175.800 -0.013 0.000 1.087 316 F CA 1.581 59.605 58.000 0.040 0.000 1.250 316 F CB 0.504 39.531 39.000 0.045 0.000 1.110 316 F HN 0.889 nan 8.300 nan 0.000 0.570 317 G N 3.163 111.646 108.800 -0.529 0.000 2.245 317 G HA2 -0.324 3.589 3.960 -0.078 0.000 0.264 317 G HA3 -0.324 3.589 3.960 -0.078 0.000 0.264 317 G C -0.046 174.774 174.900 -0.133 0.000 0.985 317 G CA 0.089 45.029 45.100 -0.267 0.000 0.625 317 G HN 1.089 nan 8.290 nan 0.000 0.536 318 C N 0.712 119.951 119.300 -0.101 0.000 2.408 318 C HA 0.810 5.223 4.460 -0.078 0.000 0.321 318 C C 1.386 176.331 174.990 -0.075 0.000 1.245 318 C CA -0.710 58.274 59.018 -0.057 0.000 1.523 318 C CB 0.918 28.654 27.740 -0.008 0.000 2.178 318 C HN 0.417 nan 8.230 nan 0.000 0.488 319 R N 2.321 122.785 120.500 -0.060 0.000 2.427 319 R HA 0.170 4.463 4.340 -0.078 0.000 0.262 319 R C -0.377 175.914 176.300 -0.015 0.000 0.943 319 R CA -0.274 55.798 56.100 -0.047 0.000 1.081 319 R CB 0.066 30.342 30.300 -0.040 0.000 1.166 319 R HN 0.738 nan 8.270 nan 0.000 0.534 320 D N 1.941 122.334 120.400 -0.013 0.000 2.341 320 D HA 0.090 4.682 4.640 -0.078 0.000 0.245 320 D C -2.287 174.006 176.300 -0.012 0.000 1.106 320 D CA -1.658 52.338 54.000 -0.006 0.000 0.905 320 D CB 1.266 42.062 40.800 -0.006 0.000 1.202 320 D HN -0.143 nan 8.370 nan 0.000 0.426 321 P HA 0.008 nan 4.420 nan 0.000 0.252 321 P C 1.151 178.424 177.300 -0.045 0.000 1.727 321 P CA -0.142 62.943 63.100 -0.025 0.000 1.134 321 P CB 0.336 32.033 31.700 -0.005 0.000 1.876 322 V N 0.766 120.643 119.914 -0.061 0.000 2.788 322 V HA 0.051 4.124 4.120 -0.078 0.000 0.251 322 V C 1.086 177.115 176.094 -0.109 0.000 1.068 322 V CA 0.728 62.988 62.300 -0.067 0.000 1.090 322 V CB -0.651 31.140 31.823 -0.054 0.000 0.710 322 V HN 0.193 nan 8.190 nan 0.000 0.467 323 R N 1.801 122.191 120.500 -0.184 0.000 2.522 323 R HA 0.262 4.555 4.340 -0.078 0.000 0.290 323 R C 0.923 177.056 176.300 -0.279 0.000 1.216 323 R CA 0.635 56.564 56.100 -0.286 0.000 1.250 323 R CB 0.622 30.607 30.300 -0.524 0.000 1.143 323 R HN 0.645 nan 8.270 nan 0.000 0.553 324 T N -0.482 113.974 114.554 -0.164 0.000 3.037 324 T HA -0.004 4.299 4.350 -0.078 0.000 0.251 324 T C 0.728 175.357 174.700 -0.118 0.000 1.079 324 T CA -0.083 61.943 62.100 -0.122 0.000 1.067 324 T CB -0.059 68.790 68.868 -0.032 0.000 0.948 324 T HN 0.394 nan 8.240 nan 0.000 0.496 325 N N 0.425 119.079 118.700 -0.076 0.000 2.472 325 N HA 0.263 4.956 4.740 -0.078 0.000 0.277 325 N C -0.376 175.173 175.510 0.065 0.000 1.081 325 N CA -0.907 52.163 53.050 0.033 0.000 0.973 325 N CB 0.355 38.873 38.487 0.051 0.000 1.105 325 N HN 0.100 nan 8.380 nan 0.000 0.470 326 F N 0.868 120.935 119.950 0.195 0.000 2.765 326 F HA 0.147 4.629 4.527 -0.075 0.000 0.302 326 F C 1.429 177.332 175.800 0.171 0.000 1.111 326 F CA -0.138 57.980 58.000 0.197 0.000 1.359 326 F CB 0.225 39.201 39.000 -0.041 0.000 1.097 326 F HN 0.520 nan 8.300 nan 0.000 0.577 327 D N 0.734 121.299 120.400 0.275 0.000 2.149 327 D HA -0.218 4.375 4.640 -0.078 0.000 0.194 327 D C 2.144 178.561 176.300 0.195 0.000 1.001 327 D CA 1.567 55.681 54.000 0.190 0.000 0.849 327 D CB -0.198 40.680 40.800 0.130 0.000 0.939 327 D HN 0.288 nan 8.370 nan 0.000 0.449 328 A N -0.691 122.284 122.820 0.259 0.000 2.307 328 A HA 0.098 4.371 4.320 -0.078 0.000 0.218 328 A C 1.576 179.316 177.584 0.260 0.000 1.228 328 A CA -0.374 51.806 52.037 0.239 0.000 0.857 328 A CB -0.610 18.522 19.000 0.219 0.000 0.897 328 A HN 0.099 nan 8.150 nan 0.000 0.495 329 F N 1.959 121.920 119.950 0.018 0.000 2.091 329 F HA -0.098 4.383 4.527 -0.077 0.000 0.299 329 F C -0.859 174.824 175.800 -0.195 0.000 1.103 329 F CA 2.205 59.969 58.000 -0.392 0.000 1.228 329 F CB -0.720 38.068 39.000 -0.354 0.000 0.984 329 F HN 0.193 nan 8.300 nan 0.000 0.477 330 P HA -0.090 nan 4.420 nan 0.000 0.226 330 P C 0.562 177.807 177.300 -0.091 0.000 1.153 330 P CA 1.491 64.556 63.100 -0.058 0.000 0.777 330 P CB -0.010 31.685 31.700 -0.008 0.000 0.794 331 D N -1.373 118.998 120.400 -0.049 0.000 2.349 331 D HA 0.044 4.637 4.640 -0.078 0.000 0.214 331 D C 1.289 177.565 176.300 -0.040 0.000 1.063 331 D CA 0.522 54.505 54.000 -0.028 0.000 0.847 331 D CB 0.290 41.096 40.800 0.010 0.000 0.933 331 D HN 0.118 nan 8.370 nan 0.000 0.513 332 K N 0.105 120.453 120.400 -0.088 0.000 2.438 332 K HA 0.228 4.501 4.320 -0.078 0.000 0.206 332 K C -0.055 176.424 176.600 -0.200 0.000 1.081 332 K CA 0.033 56.279 56.287 -0.067 0.000 1.053 332 K CB 2.502 35.098 32.500 0.161 0.000 0.908 332 K HN -0.081 nan 8.250 nan 0.000 0.556 333 V N 0.525 120.224 119.914 -0.358 0.000 2.888 333 V HA 0.721 4.793 4.120 -0.078 0.000 0.309 333 V C -1.327 174.631 176.094 -0.228 0.000 1.114 333 V CA -1.311 60.764 62.300 -0.376 0.000 0.940 333 V CB 2.071 33.354 31.823 -0.900 0.000 1.021 333 V HN 0.096 nan 8.190 nan 0.000 0.426 334 A N 4.691 127.444 122.820 -0.113 0.000 2.408 334 A HA 0.901 5.174 4.320 -0.078 0.000 0.295 334 A C -1.201 176.380 177.584 -0.005 0.000 1.040 334 A CA -0.372 51.631 52.037 -0.056 0.000 0.707 334 A CB 1.146 20.052 19.000 -0.158 0.000 1.235 334 A HN 0.747 nan 8.150 nan 0.000 0.418 335 I N 1.995 122.604 120.570 0.066 0.000 2.382 335 I HA 0.329 4.452 4.170 -0.078 0.000 0.286 335 I C -0.304 175.886 176.117 0.122 0.000 1.002 335 I CA -0.612 60.736 61.300 0.081 0.000 1.135 335 I CB 1.912 39.936 38.000 0.040 0.000 1.288 335 I HN 0.698 nan 8.210 nan 0.000 0.448 336 Q N 6.145 126.019 119.800 0.124 0.000 2.314 336 Q HA 0.428 4.721 4.340 -0.078 0.000 0.259 336 Q C -1.374 174.608 176.000 -0.030 0.000 0.951 336 Q CA -0.524 55.382 55.803 0.171 0.000 0.909 336 Q CB 1.241 30.208 28.738 0.382 0.000 1.236 336 Q HN 0.423 nan 8.270 nan 0.000 0.444 337 L N 4.195 125.447 121.223 0.048 0.000 2.278 337 L HA 0.320 4.613 4.340 -0.078 0.000 0.287 337 L C -0.160 176.733 176.870 0.039 0.000 1.072 337 L CA -0.153 54.711 54.840 0.041 0.000 0.819 337 L CB 0.460 42.598 42.059 0.132 0.000 1.176 337 L HN 0.620 nan 8.230 nan 0.000 0.435 338 N N 4.422 123.067 118.700 -0.091 0.000 2.448 338 N HA 0.112 4.805 4.740 -0.078 0.000 0.250 338 N C -0.020 175.521 175.510 0.052 0.000 1.136 338 N CA 0.468 53.527 53.050 0.015 0.000 0.953 338 N CB -0.023 38.401 38.487 -0.104 0.000 1.251 338 N HN 0.591 nan 8.380 nan 0.000 0.502 339 D N 0.234 120.784 120.400 0.249 0.000 4.658 339 D HA -0.225 4.368 4.640 -0.078 0.000 0.304 339 D C 0.298 176.703 176.300 0.175 0.000 2.363 339 D CA 1.512 55.627 54.000 0.191 0.000 1.179 339 D CB -0.519 40.048 40.800 -0.388 0.000 1.091 339 D HN 0.525 nan 8.370 nan 0.000 1.274 340 T N -2.437 112.167 114.554 0.083 0.000 3.100 340 T HA 0.076 4.379 4.350 -0.078 0.000 0.253 340 T C 1.682 176.481 174.700 0.165 0.000 1.118 340 T CA 1.521 63.644 62.100 0.038 0.000 1.058 340 T CB -0.501 68.349 68.868 -0.031 0.000 0.953 340 T HN 0.513 nan 8.240 nan 0.000 0.515 341 H N 2.709 121.872 119.070 0.154 0.000 2.357 341 H HA -0.040 4.468 4.556 -0.079 0.000 0.296 341 H C -0.729 174.696 175.328 0.162 0.000 1.108 341 H CA 1.255 57.414 56.048 0.185 0.000 1.273 341 H CB -0.891 28.977 29.762 0.177 0.000 1.367 341 H HN 0.447 nan 8.280 nan 0.000 0.498 342 P HA 0.075 nan 4.420 nan 0.000 0.259 342 P C 0.785 178.132 177.300 0.079 0.000 1.530 342 P CA 0.445 63.630 63.100 0.142 0.000 1.022 342 P CB 0.418 32.191 31.700 0.122 0.000 1.514 343 S N -0.066 115.677 115.700 0.071 0.000 2.440 343 S HA -0.122 4.301 4.470 -0.078 0.000 0.238 343 S C 1.816 176.423 174.600 0.012 0.000 1.010 343 S CA 0.707 58.908 58.200 0.003 0.000 0.972 343 S CB -1.473 61.701 63.200 -0.044 0.000 0.774 343 S HN 0.144 nan 8.310 nan 0.000 0.501 344 L N 0.922 122.166 121.223 0.035 0.000 2.549 344 L HA 0.010 4.303 4.340 -0.078 0.000 0.230 344 L C 2.905 179.802 176.870 0.046 0.000 1.162 344 L CA 0.650 55.508 54.840 0.029 0.000 0.834 344 L CB -0.741 41.332 42.059 0.023 0.000 0.947 344 L HN 0.491 nan 8.230 nan 0.000 0.452 345 A N 0.377 123.208 122.820 0.018 0.000 2.019 345 A HA -0.168 4.105 4.320 -0.078 0.000 0.219 345 A C 2.171 179.756 177.584 0.003 0.000 1.164 345 A CA 1.286 53.320 52.037 -0.005 0.000 0.644 345 A CB -0.401 18.587 19.000 -0.020 0.000 0.805 345 A HN 0.379 nan 8.150 nan 0.000 0.449 346 I N 0.294 120.872 120.570 0.015 0.000 2.133 346 I HA -0.129 3.994 4.170 -0.078 0.000 0.238 346 I C -0.309 175.850 176.117 0.070 0.000 1.074 346 I CA 1.426 62.742 61.300 0.027 0.000 1.342 346 I CB -1.016 37.008 38.000 0.040 0.000 1.053 346 I HN 0.243 nan 8.210 nan 0.000 0.404 347 P HA -0.155 nan 4.420 nan 0.000 0.222 347 P C 1.230 178.586 177.300 0.094 0.000 1.153 347 P CA 1.438 64.597 63.100 0.099 0.000 0.798 347 P CB 0.071 31.844 31.700 0.122 0.000 0.796 348 E N 0.458 120.768 120.200 0.185 0.000 2.072 348 E HA -0.138 4.164 4.350 -0.078 0.000 0.190 348 E C 1.924 178.533 176.600 0.016 0.000 0.982 348 E CA 0.623 57.150 56.400 0.211 0.000 0.803 348 E CB -1.229 28.616 29.700 0.242 0.000 0.755 348 E HN 0.008 nan 8.360 nan 0.000 0.453 349 L N -0.038 121.160 121.223 -0.042 0.000 2.046 349 L HA -0.071 4.222 4.340 -0.078 0.000 0.208 349 L C 2.057 178.809 176.870 -0.198 0.000 1.077 349 L CA 1.738 56.495 54.840 -0.137 0.000 0.747 349 L CB -0.566 41.411 42.059 -0.137 0.000 0.896 349 L HN 0.218 nan 8.230 nan 0.000 0.432 350 M N -0.729 118.773 119.600 -0.164 0.000 2.117 350 M HA -0.191 4.242 4.480 -0.078 0.000 0.262 350 M C 2.437 178.604 176.300 -0.223 0.000 1.065 350 M CA 1.494 56.645 55.300 -0.249 0.000 1.114 350 M CB -1.135 31.297 32.600 -0.280 0.000 1.361 350 M HN 0.345 nan 8.290 nan 0.000 0.408 351 R N 0.444 120.844 120.500 -0.167 0.000 2.070 351 R HA -0.132 4.161 4.340 -0.078 0.000 0.233 351 R C 2.147 178.373 176.300 -0.123 0.000 1.137 351 R CA 1.525 57.529 56.100 -0.159 0.000 0.945 351 R CB -0.288 29.870 30.300 -0.237 0.000 0.845 351 R HN 0.296 nan 8.270 nan 0.000 0.430 352 I N 0.986 121.484 120.570 -0.120 0.000 2.127 352 I HA -0.355 3.768 4.170 -0.078 0.000 0.241 352 I C 2.360 178.359 176.117 -0.196 0.000 1.075 352 I CA 1.440 62.666 61.300 -0.123 0.000 1.334 352 I CB -0.347 37.572 38.000 -0.134 0.000 1.040 352 I HN 0.259 nan 8.210 nan 0.000 0.405 353 L N -0.161 120.873 121.223 -0.315 0.000 1.994 353 L HA -0.210 4.083 4.340 -0.078 0.000 0.208 353 L C 2.569 179.286 176.870 -0.255 0.000 1.071 353 L CA 1.265 55.852 54.840 -0.423 0.000 0.745 353 L CB -0.745 40.984 42.059 -0.549 0.000 0.892 353 L HN 0.098 nan 8.230 nan 0.000 0.431 354 V N -0.304 119.495 119.914 -0.191 0.000 2.255 354 V HA -0.244 3.829 4.120 -0.078 0.000 0.243 354 V C 2.111 178.182 176.094 -0.038 0.000 1.038 354 V CA 1.938 64.187 62.300 -0.084 0.000 1.008 354 V CB -0.470 31.343 31.823 -0.017 0.000 0.645 354 V HN 0.399 nan 8.190 nan 0.000 0.449 355 D N -0.118 120.258 120.400 -0.040 0.000 2.149 355 D HA -0.044 4.549 4.640 -0.078 0.000 0.201 355 D C 2.031 178.322 176.300 -0.015 0.000 0.972 355 D CA 1.248 55.238 54.000 -0.016 0.000 0.835 355 D CB 0.014 40.802 40.800 -0.019 0.000 0.966 355 D HN 0.351 nan 8.370 nan 0.000 0.476 356 L N 0.168 121.372 121.223 -0.032 0.000 2.316 356 L HA 0.108 4.401 4.340 -0.078 0.000 0.207 356 L C 1.839 178.704 176.870 -0.009 0.000 1.070 356 L CA 0.472 55.304 54.840 -0.013 0.000 0.820 356 L CB 0.088 42.144 42.059 -0.005 0.000 0.992 356 L HN -0.205 nan 8.230 nan 0.000 0.466 357 E N 0.403 120.576 120.200 -0.046 0.000 2.474 357 E HA 0.041 4.344 4.350 -0.078 0.000 0.194 357 E C 0.188 176.781 176.600 -0.011 0.000 1.041 357 E CA -0.057 56.332 56.400 -0.019 0.000 0.874 357 E CB 0.377 30.011 29.700 -0.110 0.000 0.914 357 E HN 0.188 nan 8.360 nan 0.000 0.498 358 R N -0.420 120.066 120.500 -0.024 0.000 3.878 358 R HA -0.187 4.106 4.340 -0.078 0.000 0.330 358 R C 0.423 176.719 176.300 -0.007 0.000 1.186 358 R CA 0.530 56.628 56.100 -0.002 0.000 0.885 358 R CB -2.897 27.415 30.300 0.019 0.000 1.377 358 R HN 0.305 nan 8.270 nan 0.000 0.523 359 M N 2.313 121.881 119.600 -0.053 0.000 2.242 359 M HA 0.060 4.493 4.480 -0.078 0.000 0.344 359 M C 0.844 177.135 176.300 -0.015 0.000 1.140 359 M CA 0.109 55.376 55.300 -0.056 0.000 1.160 359 M CB 0.616 33.118 32.600 -0.163 0.000 1.491 359 M HN 0.154 nan 8.290 nan 0.000 0.459 360 D N 3.475 123.888 120.400 0.021 0.000 2.362 360 D HA -0.125 4.467 4.640 -0.078 0.000 0.242 360 D C 0.710 177.075 176.300 0.108 0.000 1.132 360 D CA -0.377 53.670 54.000 0.079 0.000 0.907 360 D CB 0.559 41.410 40.800 0.085 0.000 1.195 360 D HN 0.878 nan 8.370 nan 0.000 0.429 361 W N 2.518 123.815 121.300 -0.006 0.000 2.301 361 W HA -0.253 4.384 4.660 -0.038 0.000 0.325 361 W C 1.100 177.659 176.519 0.067 0.000 1.250 361 W CA 2.077 59.427 57.345 0.007 0.000 1.261 361 W CB -0.351 29.093 29.460 -0.027 0.000 1.157 361 W HN 0.482 nan 8.180 nan 0.000 0.473 362 D N 0.032 120.651 120.400 0.366 0.000 2.116 362 D HA -0.249 4.344 4.640 -0.078 0.000 0.193 362 D C 2.003 178.394 176.300 0.153 0.000 0.998 362 D CA 2.076 56.253 54.000 0.295 0.000 0.836 362 D CB -0.674 40.271 40.800 0.241 0.000 0.951 362 D HN 0.265 nan 8.370 nan 0.000 0.449 363 K N 0.655 121.105 120.400 0.084 0.000 2.148 363 K HA -0.051 4.222 4.320 -0.078 0.000 0.204 363 K C 1.971 178.542 176.600 -0.047 0.000 1.050 363 K CA 1.083 57.386 56.287 0.027 0.000 0.942 363 K CB 0.039 32.552 32.500 0.023 0.000 0.724 363 K HN 0.032 nan 8.250 nan 0.000 0.446 364 A N 0.908 123.663 122.820 -0.107 0.000 1.929 364 A HA -0.159 4.114 4.320 -0.078 0.000 0.216 364 A C 1.950 179.418 177.584 -0.194 0.000 1.176 364 A CA 0.845 52.747 52.037 -0.226 0.000 0.628 364 A CB -0.963 17.852 19.000 -0.309 0.000 0.816 364 A HN 0.708 nan 8.150 nan 0.000 0.444 365 W N 0.828 121.887 121.300 -0.401 0.000 2.388 365 W HA -0.184 4.443 4.660 -0.056 0.000 0.294 365 W C 1.562 177.996 176.519 -0.142 0.000 1.212 365 W CA 1.805 58.951 57.345 -0.331 0.000 1.271 365 W CB -0.075 29.211 29.460 -0.290 0.000 1.126 365 W HN 0.550 nan 8.180 nan 0.000 0.535 366 D N 0.112 120.462 120.400 -0.084 0.000 2.097 366 D HA -0.202 4.391 4.640 -0.078 0.000 0.195 366 D C 2.085 178.281 176.300 -0.174 0.000 0.989 366 D CA 2.010 55.933 54.000 -0.129 0.000 0.827 366 D CB -0.376 40.413 40.800 -0.019 0.000 0.966 366 D HN -0.040 nan 8.370 nan 0.000 0.456 367 V N 0.052 119.880 119.914 -0.143 0.000 2.295 367 V HA -0.239 3.834 4.120 -0.078 0.000 0.246 367 V C 2.562 178.570 176.094 -0.144 0.000 1.049 367 V CA 2.117 64.352 62.300 -0.107 0.000 1.024 367 V CB -0.896 30.845 31.823 -0.136 0.000 0.648 367 V HN 0.327 nan 8.190 nan 0.000 0.447 368 T N 0.064 114.462 114.554 -0.260 0.000 2.684 368 T HA -0.184 4.119 4.350 -0.078 0.000 0.267 368 T C 1.898 176.391 174.700 -0.344 0.000 1.036 368 T CA 1.828 63.748 62.100 -0.300 0.000 1.148 368 T CB -0.267 68.370 68.868 -0.384 0.000 0.863 368 T HN 0.296 nan 8.240 nan 0.000 0.436 369 V N 1.078 120.673 119.914 -0.532 0.000 2.515 369 V HA -0.066 4.007 4.120 -0.078 0.000 0.250 369 V C 2.451 178.491 176.094 -0.090 0.000 1.058 369 V CA 1.413 63.467 62.300 -0.410 0.000 1.064 369 V CB -0.542 30.956 31.823 -0.542 0.000 0.675 369 V HN 0.354 nan 8.190 nan 0.000 0.461 370 R N -0.542 119.881 120.500 -0.127 0.000 2.276 370 R HA -0.023 4.270 4.340 -0.078 0.000 0.203 370 R C 2.141 178.391 176.300 -0.082 0.000 1.017 370 R CA 1.249 57.251 56.100 -0.164 0.000 1.010 370 R CB -0.122 30.079 30.300 -0.164 0.000 0.900 370 R HN 0.509 nan 8.270 nan 0.000 0.469 371 T N -0.249 114.321 114.554 0.026 0.000 2.983 371 T HA 0.042 4.345 4.350 -0.078 0.000 0.250 371 T C 0.985 175.779 174.700 0.158 0.000 1.037 371 T CA 0.438 62.584 62.100 0.077 0.000 1.142 371 T CB 0.174 69.106 68.868 0.107 0.000 0.876 371 T HN 0.178 nan 8.240 nan 0.000 0.455 372 C N 2.500 121.874 119.300 0.124 0.000 2.401 372 C HA 0.876 5.289 4.460 -0.078 0.000 0.365 372 C C 0.613 175.633 174.990 0.049 0.000 1.250 372 C CA -1.367 57.704 59.018 0.089 0.000 2.131 372 C CB -0.142 27.595 27.740 -0.005 0.000 2.445 372 C HN 0.597 nan 8.230 nan 0.000 0.550 373 A N 1.933 124.777 122.820 0.041 0.000 2.449 373 A HA 0.731 5.004 4.320 -0.078 0.000 0.302 373 A C -1.528 176.114 177.584 0.096 0.000 1.048 373 A CA -0.371 51.632 52.037 -0.057 0.000 0.708 373 A CB 1.058 20.043 19.000 -0.024 0.000 1.274 373 A HN 0.899 nan 8.150 nan 0.000 0.410 374 Y N 1.193 121.436 120.300 -0.095 0.000 2.364 374 Y HA 0.684 5.188 4.550 -0.077 0.000 0.340 374 Y C -0.488 175.406 175.900 -0.009 0.000 0.975 374 Y CA -0.632 57.437 58.100 -0.051 0.000 1.089 374 Y CB 1.969 40.364 38.460 -0.109 0.000 1.192 374 Y HN 0.543 nan 8.280 nan 0.000 0.454 375 T N 7.146 121.510 114.554 -0.317 0.000 2.770 375 T HA 0.238 4.541 4.350 -0.078 0.000 0.283 375 T C -0.709 173.576 174.700 -0.691 0.000 0.988 375 T CA -0.815 61.033 62.100 -0.421 0.000 0.957 375 T CB 0.294 69.132 68.868 -0.050 0.000 0.930 375 T HN 0.681 nan 8.240 nan 0.000 0.443 376 N N 1.818 120.109 118.700 -0.683 0.000 2.473 376 N HA 0.158 4.851 4.740 -0.078 0.000 0.291 376 N C 0.023 175.424 175.510 -0.181 0.000 1.083 376 N CA -0.369 52.510 53.050 -0.286 0.000 0.951 376 N CB 0.851 39.313 38.487 -0.043 0.000 1.164 376 N HN 0.695 nan 8.380 nan 0.000 0.480 377 H N 0.806 119.899 119.070 0.039 0.000 3.058 377 H HA 0.162 4.671 4.556 -0.079 0.000 0.266 377 H C -0.219 174.996 175.328 -0.188 0.000 1.135 377 H CA -0.107 55.898 56.048 -0.073 0.000 1.174 377 H CB 1.153 30.891 29.762 -0.040 0.000 1.581 377 H HN 0.536 nan 8.280 nan 0.000 0.553 378 T N 0.368 114.925 114.554 0.005 0.000 2.886 378 T HA 0.213 4.516 4.350 -0.078 0.000 0.330 378 T C 0.399 175.097 174.700 -0.004 0.000 1.488 378 T CA -0.397 61.657 62.100 -0.077 0.000 1.054 378 T CB 1.451 70.272 68.868 -0.077 0.000 1.348 378 T HN -0.024 nan 8.240 nan 0.000 0.489 379 V N 1.942 121.824 119.914 -0.052 0.000 3.528 379 V HA 0.553 4.626 4.120 -0.078 0.000 0.294 379 V C 0.614 176.665 176.094 -0.072 0.000 1.404 379 V CA 0.013 62.271 62.300 -0.070 0.000 1.065 379 V CB -0.430 31.357 31.823 -0.060 0.000 0.904 379 V HN 0.702 nan 8.190 nan 0.000 0.435 380 L N 1.977 123.151 121.223 -0.082 0.000 2.462 380 L HA 0.239 4.532 4.340 -0.078 0.000 0.272 380 L C -1.044 175.817 176.870 -0.014 0.000 1.166 380 L CA -1.166 53.648 54.840 -0.043 0.000 0.880 380 L CB 0.706 42.721 42.059 -0.072 0.000 1.142 380 L HN 0.079 nan 8.230 nan 0.000 0.473 381 P HA -0.232 nan 4.420 nan 0.000 0.216 381 P C 1.191 178.487 177.300 -0.006 0.000 1.153 381 P CA 1.137 64.235 63.100 -0.003 0.000 0.858 381 P CB 0.080 31.787 31.700 0.011 0.000 0.789 382 E N -0.305 119.920 120.200 0.043 0.000 2.478 382 E HA -0.045 4.258 4.350 -0.078 0.000 0.198 382 E C 1.371 177.947 176.600 -0.039 0.000 1.046 382 E CA 1.097 57.515 56.400 0.031 0.000 0.870 382 E CB -0.579 29.244 29.700 0.204 0.000 0.818 382 E HN 0.186 nan 8.360 nan 0.000 0.527 383 A N 0.647 123.471 122.820 0.007 0.000 2.220 383 A HA 0.231 4.504 4.320 -0.078 0.000 0.211 383 A C 0.680 178.252 177.584 -0.021 0.000 1.176 383 A CA -0.250 51.804 52.037 0.028 0.000 0.834 383 A CB 0.168 19.201 19.000 0.055 0.000 0.868 383 A HN 0.103 nan 8.150 nan 0.000 0.488 384 L N 1.315 122.474 121.223 -0.107 0.000 2.349 384 L HA 0.287 4.580 4.340 -0.078 0.000 0.275 384 L C 0.191 176.702 176.870 -0.598 0.000 1.115 384 L CA -0.175 54.540 54.840 -0.208 0.000 0.820 384 L CB 0.494 42.468 42.059 -0.142 0.000 1.135 384 L HN 0.263 nan 8.230 nan 0.000 0.445 385 E N 4.052 123.816 120.200 -0.727 0.000 2.180 385 E HA 0.283 4.585 4.350 -0.078 0.000 0.283 385 E C -0.457 175.437 176.600 -1.176 0.000 1.061 385 E CA -0.185 55.308 56.400 -1.512 0.000 0.861 385 E CB 0.602 29.816 29.700 -0.811 0.000 1.056 385 E HN 0.335 nan 8.360 nan 0.000 0.407 386 R N 3.928 123.541 120.500 -1.479 0.000 2.513 386 R HA 0.175 4.468 4.340 -0.078 0.000 0.283 386 R C -1.222 174.872 176.300 -0.343 0.000 1.535 386 R CA -0.587 55.148 56.100 -0.608 0.000 1.315 386 R CB 0.704 30.790 30.300 -0.358 0.000 1.163 386 R HN 0.452 nan 8.270 nan 0.000 0.573 387 W N 4.921 126.170 121.300 -0.083 0.000 2.304 387 W HA 0.190 4.801 4.660 -0.081 0.000 0.313 387 W C -1.705 174.804 176.519 -0.017 0.000 1.323 387 W CA -1.894 55.478 57.345 0.045 0.000 1.223 387 W CB 0.536 29.997 29.460 0.001 0.000 1.237 387 W HN 0.224 nan 8.180 nan 0.000 0.535 388 P HA -0.094 nan 4.420 nan 0.000 0.268 388 P C 0.750 178.035 177.300 -0.026 0.000 1.204 388 P CA 0.256 63.399 63.100 0.072 0.000 0.768 388 P CB 1.207 32.912 31.700 0.008 0.000 0.842 389 V N 1.839 121.789 119.914 0.059 0.000 2.594 389 V HA -0.255 3.818 4.120 -0.078 0.000 0.253 389 V C 2.312 178.434 176.094 0.046 0.000 1.069 389 V CA 1.904 64.234 62.300 0.051 0.000 1.082 389 V CB -2.006 29.899 31.823 0.138 0.000 0.680 389 V HN 0.660 nan 8.190 nan 0.000 0.469 390 H N -0.052 119.077 119.070 0.100 0.000 2.421 390 H HA -0.089 4.420 4.556 -0.080 0.000 0.298 390 H C 2.158 177.538 175.328 0.086 0.000 1.087 390 H CA 1.870 57.972 56.048 0.091 0.000 1.330 390 H CB -0.375 29.440 29.762 0.087 0.000 1.388 390 H HN 0.495 nan 8.280 nan 0.000 0.526 391 L N 1.242 122.234 121.223 -0.384 0.000 2.023 391 L HA -0.030 4.263 4.340 -0.078 0.000 0.205 391 L C 2.602 179.408 176.870 -0.107 0.000 1.073 391 L CA 1.149 55.876 54.840 -0.190 0.000 0.745 391 L CB -0.870 41.059 42.059 -0.216 0.000 0.900 391 L HN 0.195 nan 8.230 nan 0.000 0.435 392 L N -0.491 120.652 121.223 -0.132 0.000 2.083 392 L HA -0.228 4.065 4.340 -0.078 0.000 0.209 392 L C 2.547 179.358 176.870 -0.098 0.000 1.083 392 L CA 1.678 56.424 54.840 -0.157 0.000 0.752 392 L CB -0.551 41.410 42.059 -0.163 0.000 0.899 392 L HN 0.445 nan 8.230 nan 0.000 0.433 393 E N -0.446 119.736 120.200 -0.030 0.000 2.110 393 E HA -0.197 4.106 4.350 -0.078 0.000 0.193 393 E C 1.872 178.515 176.600 0.073 0.000 0.988 393 E CA 1.726 58.143 56.400 0.028 0.000 0.804 393 E CB 0.146 29.900 29.700 0.090 0.000 0.745 393 E HN 0.360 nan 8.360 nan 0.000 0.458 394 T N 0.562 115.176 114.554 0.100 0.000 2.894 394 T HA -0.040 4.263 4.350 -0.078 0.000 0.258 394 T C 1.606 176.440 174.700 0.224 0.000 1.043 394 T CA 0.741 62.955 62.100 0.190 0.000 1.141 394 T CB -0.091 68.907 68.868 0.218 0.000 0.873 394 T HN 0.097 nan 8.240 nan 0.000 0.449 395 L N 0.256 121.510 121.223 0.053 0.000 2.162 395 L HA 0.355 4.648 4.340 -0.078 0.000 0.205 395 L C 0.246 177.066 176.870 -0.083 0.000 1.086 395 L CA 1.610 56.363 54.840 -0.145 0.000 0.778 395 L CB 0.015 41.948 42.059 -0.211 0.000 0.928 395 L HN 0.167 nan 8.230 nan 0.000 0.446 396 L N 0.822 121.969 121.223 -0.128 0.000 2.475 396 L HA 0.302 4.595 4.340 -0.078 0.000 0.253 396 L C -1.728 174.985 176.870 -0.262 0.000 1.483 396 L CA -0.984 53.709 54.840 -0.245 0.000 0.869 396 L CB 1.008 42.796 42.059 -0.451 0.000 1.086 396 L HN -0.086 nan 8.230 nan 0.000 0.514 397 P HA -0.227 nan 4.420 nan 0.000 0.215 397 P C 1.493 178.603 177.300 -0.317 0.000 1.153 397 P CA 1.308 64.300 63.100 -0.179 0.000 0.853 397 P CB 0.404 32.077 31.700 -0.045 0.000 0.788 398 R N -0.075 120.032 120.500 -0.654 0.000 2.073 398 R HA -0.175 4.118 4.340 -0.078 0.000 0.234 398 R C 2.389 178.378 176.300 -0.519 0.000 1.134 398 R CA 1.807 57.518 56.100 -0.649 0.000 0.952 398 R CB -1.602 28.079 30.300 -1.031 0.000 0.850 398 R HN 0.237 nan 8.270 nan 0.000 0.433 399 H N -0.258 118.508 119.070 -0.506 0.000 2.421 399 H HA -0.051 4.459 4.556 -0.078 0.000 0.298 399 H C 1.800 176.973 175.328 -0.258 0.000 1.087 399 H CA 1.598 57.444 56.048 -0.336 0.000 1.330 399 H CB -0.067 29.470 29.762 -0.375 0.000 1.388 399 H HN 0.129 nan 8.280 nan 0.000 0.526 400 L N 0.427 121.543 121.223 -0.178 0.000 2.056 400 L HA -0.213 4.080 4.340 -0.078 0.000 0.207 400 L C 1.840 178.582 176.870 -0.214 0.000 1.078 400 L CA 1.455 56.139 54.840 -0.259 0.000 0.749 400 L CB -0.242 41.683 42.059 -0.224 0.000 0.901 400 L HN 0.428 nan 8.230 nan 0.000 0.433 401 Q N -0.196 119.563 119.800 -0.069 0.000 2.096 401 Q HA -0.241 4.052 4.340 -0.078 0.000 0.204 401 Q C 2.162 178.189 176.000 0.046 0.000 0.982 401 Q CA 1.723 57.564 55.803 0.063 0.000 0.850 401 Q CB -0.104 28.663 28.738 0.048 0.000 0.901 401 Q HN 0.574 nan 8.270 nan 0.000 0.422 402 I N 0.355 120.924 120.570 -0.002 0.000 2.252 402 I HA -0.258 3.865 4.170 -0.078 0.000 0.245 402 I C 2.189 178.365 176.117 0.097 0.000 1.102 402 I CA 0.963 62.327 61.300 0.106 0.000 1.385 402 I CB -0.197 37.830 38.000 0.046 0.000 1.064 402 I HN 0.188 nan 8.210 nan 0.000 0.414 403 I N -0.264 120.295 120.570 -0.019 0.000 2.226 403 I HA -0.325 3.798 4.170 -0.078 0.000 0.245 403 I C 2.454 178.565 176.117 -0.009 0.000 1.100 403 I CA 1.567 62.835 61.300 -0.053 0.000 1.374 403 I CB -0.393 37.504 38.000 -0.172 0.000 1.057 403 I HN 0.147 nan 8.210 nan 0.000 0.413 404 Y N 0.820 121.120 120.300 0.001 0.000 2.181 404 Y HA -0.276 4.232 4.550 -0.071 0.000 0.288 404 Y C 2.599 178.464 175.900 -0.059 0.000 1.146 404 Y CA 1.647 59.736 58.100 -0.018 0.000 1.164 404 Y CB -0.744 37.698 38.460 -0.030 0.000 0.982 404 Y HN 0.218 nan 8.280 nan 0.000 0.515 405 E N 0.446 120.680 120.200 0.056 0.000 2.077 405 E HA -0.163 4.140 4.350 -0.078 0.000 0.193 405 E C 2.033 178.557 176.600 -0.127 0.000 0.989 405 E CA 1.528 57.829 56.400 -0.165 0.000 0.800 405 E CB -0.565 28.865 29.700 -0.450 0.000 0.746 405 E HN 0.474 nan 8.360 nan 0.000 0.452 406 I N 0.778 121.350 120.570 0.004 0.000 2.208 406 I HA -0.289 3.834 4.170 -0.078 0.000 0.245 406 I C 2.306 178.436 176.117 0.022 0.000 1.097 406 I CA 1.447 62.705 61.300 -0.071 0.000 1.363 406 I CB -0.446 37.495 38.000 -0.098 0.000 1.051 406 I HN 0.249 nan 8.210 nan 0.000 0.413 407 N N 0.774 119.530 118.700 0.094 0.000 2.142 407 N HA -0.263 4.430 4.740 -0.078 0.000 0.186 407 N C 1.883 177.490 175.510 0.163 0.000 1.023 407 N CA 1.493 54.655 53.050 0.188 0.000 0.852 407 N CB -0.140 38.469 38.487 0.202 0.000 0.998 407 N HN 0.341 nan 8.380 nan 0.000 0.424 408 Q N -0.256 119.583 119.800 0.065 0.000 2.050 408 Q HA -0.144 4.149 4.340 -0.078 0.000 0.202 408 Q C 1.739 177.735 176.000 -0.006 0.000 0.980 408 Q CA 1.077 56.882 55.803 0.004 0.000 0.840 408 Q CB 0.028 28.727 28.738 -0.065 0.000 0.898 408 Q HN 0.261 nan 8.270 nan 0.000 0.424 409 R N -0.048 120.432 120.500 -0.033 0.000 2.083 409 R HA -0.150 4.143 4.340 -0.078 0.000 0.237 409 R C 2.137 178.489 176.300 0.086 0.000 1.137 409 R CA 1.278 57.364 56.100 -0.022 0.000 0.951 409 R CB -1.239 29.012 30.300 -0.081 0.000 0.851 409 R HN 0.353 nan 8.270 nan 0.000 0.434 410 F N 1.357 121.309 119.950 0.004 0.000 2.102 410 F HA -0.153 4.325 4.527 -0.082 0.000 0.298 410 F C 2.030 177.868 175.800 0.063 0.000 1.105 410 F CA 1.040 59.087 58.000 0.078 0.000 1.239 410 F CB -0.348 38.725 39.000 0.122 0.000 0.991 410 F HN -0.123 nan 8.300 nan 0.000 0.474 411 L N 0.906 122.133 121.223 0.007 0.000 2.083 411 L HA -0.232 4.061 4.340 -0.078 0.000 0.209 411 L C 2.144 178.938 176.870 -0.127 0.000 1.083 411 L CA 1.476 56.254 54.840 -0.104 0.000 0.752 411 L CB -1.365 40.703 42.059 0.016 0.000 0.899 411 L HN 0.168 nan 8.230 nan 0.000 0.433 412 N N -0.422 118.232 118.700 -0.076 0.000 2.166 412 N HA -0.155 4.538 4.740 -0.078 0.000 0.186 412 N C 1.925 177.387 175.510 -0.080 0.000 1.019 412 N CA 1.044 54.055 53.050 -0.064 0.000 0.856 412 N CB -0.173 38.288 38.487 -0.044 0.000 0.993 412 N HN 0.373 nan 8.380 nan 0.000 0.426 413 R N 0.378 120.813 120.500 -0.108 0.000 2.092 413 R HA 0.018 4.311 4.340 -0.078 0.000 0.231 413 R C 2.169 178.385 176.300 -0.139 0.000 1.119 413 R CA 0.650 56.689 56.100 -0.101 0.000 0.970 413 R CB -0.280 29.978 30.300 -0.071 0.000 0.864 413 R HN 0.023 nan 8.270 nan 0.000 0.440 414 V N 1.027 120.784 119.914 -0.261 0.000 2.343 414 V HA -0.242 3.831 4.120 -0.078 0.000 0.247 414 V C 2.434 178.534 176.094 0.009 0.000 1.051 414 V CA 1.985 64.188 62.300 -0.163 0.000 1.036 414 V CB -0.695 30.931 31.823 -0.328 0.000 0.654 414 V HN 0.403 nan 8.190 nan 0.000 0.451 415 A N 0.033 122.825 122.820 -0.046 0.000 1.902 415 A HA -0.124 4.149 4.320 -0.078 0.000 0.217 415 A C 2.418 179.999 177.584 -0.006 0.000 1.181 415 A CA 2.106 54.137 52.037 -0.010 0.000 0.623 415 A CB -0.759 18.222 19.000 -0.032 0.000 0.818 415 A HN 0.573 nan 8.150 nan 0.000 0.443 416 A N -0.365 122.435 122.820 -0.033 0.000 1.930 416 A HA 0.202 4.475 4.320 -0.078 0.000 0.217 416 A C 2.437 179.968 177.584 -0.089 0.000 1.175 416 A CA 1.982 53.989 52.037 -0.049 0.000 0.627 416 A CB -0.809 18.163 19.000 -0.047 0.000 0.815 416 A HN 1.012 nan 8.150 nan 0.000 0.443 417 A N -1.575 121.178 122.820 -0.111 0.000 1.970 417 A HA 0.323 4.596 4.320 -0.078 0.000 0.216 417 A C 0.526 177.758 177.584 -0.587 0.000 1.170 417 A CA 0.590 52.425 52.037 -0.337 0.000 0.645 417 A CB -0.217 18.571 19.000 -0.353 0.000 0.816 417 A HN 0.435 nan 8.150 nan 0.000 0.447 418 F N 1.026 120.927 119.950 -0.081 0.000 2.531 418 F HA 0.300 4.777 4.527 -0.084 0.000 0.333 418 F C -2.452 173.311 175.800 -0.063 0.000 1.292 418 F CA -3.053 54.904 58.000 -0.070 0.000 1.184 418 F CB 0.796 39.746 39.000 -0.083 0.000 1.426 418 F HN 0.005 nan 8.300 nan 0.000 0.559 419 P HA 0.092 nan 4.420 nan 0.000 0.264 419 P C 0.947 178.267 177.300 0.033 0.000 1.193 419 P CA 1.098 64.210 63.100 0.021 0.000 0.763 419 P CB 1.212 32.904 31.700 -0.013 0.000 0.810 420 G N 2.346 111.159 108.800 0.021 0.000 2.179 420 G HA2 -0.230 3.683 3.960 -0.078 0.000 0.260 420 G HA3 -0.230 3.683 3.960 -0.078 0.000 0.260 420 G C 0.226 175.137 174.900 0.019 0.000 0.977 420 G CA 0.137 45.246 45.100 0.015 0.000 0.641 420 G HN 0.643 nan 8.290 nan 0.000 0.533 421 D N 1.140 121.561 120.400 0.034 0.000 2.470 421 D HA 0.429 5.022 4.640 -0.078 0.000 0.226 421 D C 1.799 178.086 176.300 -0.022 0.000 1.196 421 D CA 0.177 54.182 54.000 0.009 0.000 0.979 421 D CB 0.687 41.495 40.800 0.014 0.000 1.059 421 D HN 0.082 nan 8.370 nan 0.000 0.515 422 V N 3.097 123.000 119.914 -0.018 0.000 2.261 422 V HA -0.248 3.825 4.120 -0.078 0.000 0.246 422 V C 2.045 178.121 176.094 -0.029 0.000 1.047 422 V CA 1.844 64.132 62.300 -0.020 0.000 1.015 422 V CB -0.377 31.439 31.823 -0.012 0.000 0.642 422 V HN 0.472 nan 8.190 nan 0.000 0.446 423 D N -0.565 119.815 120.400 -0.033 0.000 2.219 423 D HA -0.173 4.420 4.640 -0.078 0.000 0.205 423 D C 2.307 178.569 176.300 -0.062 0.000 0.970 423 D CA 0.849 54.828 54.000 -0.035 0.000 0.851 423 D CB -0.106 40.676 40.800 -0.029 0.000 0.943 423 D HN 0.254 nan 8.370 nan 0.000 0.488 424 R N -0.451 119.986 120.500 -0.105 0.000 2.115 424 R HA -0.077 4.216 4.340 -0.078 0.000 0.230 424 R C 1.704 177.911 176.300 -0.155 0.000 1.111 424 R CA 0.637 56.627 56.100 -0.184 0.000 0.976 424 R CB -0.076 30.048 30.300 -0.294 0.000 0.870 424 R HN 0.172 nan 8.270 nan 0.000 0.445 425 L N 1.012 122.177 121.223 -0.097 0.000 2.083 425 L HA -0.129 4.164 4.340 -0.078 0.000 0.209 425 L C 2.469 179.330 176.870 -0.015 0.000 1.083 425 L CA 1.655 56.458 54.840 -0.062 0.000 0.752 425 L CB -1.212 40.826 42.059 -0.036 0.000 0.899 425 L HN 0.274 nan 8.230 nan 0.000 0.433 426 R N -0.149 120.348 120.500 -0.006 0.000 2.073 426 R HA -0.136 4.157 4.340 -0.078 0.000 0.234 426 R C 2.417 178.755 176.300 0.063 0.000 1.134 426 R CA 1.226 57.345 56.100 0.033 0.000 0.952 426 R CB 0.004 30.318 30.300 0.024 0.000 0.850 426 R HN 0.285 nan 8.270 nan 0.000 0.433 427 R N -0.129 120.387 120.500 0.026 0.000 2.073 427 R HA -0.070 4.223 4.340 -0.078 0.000 0.234 427 R C 2.230 178.587 176.300 0.094 0.000 1.134 427 R CA 1.821 57.959 56.100 0.063 0.000 0.952 427 R CB -0.239 30.055 30.300 -0.011 0.000 0.850 427 R HN 0.318 nan 8.270 nan 0.000 0.433 428 M N 0.634 120.187 119.600 -0.080 0.000 2.595 428 M HA 0.038 4.471 4.480 -0.078 0.000 0.248 428 M C 0.882 177.313 176.300 0.219 0.000 1.119 428 M CA 0.059 55.243 55.300 -0.194 0.000 1.079 428 M CB 0.277 32.580 32.600 -0.495 0.000 1.472 428 M HN -0.046 nan 8.290 nan 0.000 0.501 429 S N 0.982 116.830 115.700 0.247 0.000 2.563 429 S HA 0.093 4.516 4.470 -0.078 0.000 0.284 429 S C 1.116 175.973 174.600 0.429 0.000 1.331 429 S CA -0.306 58.079 58.200 0.308 0.000 1.047 429 S CB 0.643 63.966 63.200 0.206 0.000 0.859 429 S HN 0.380 nan 8.310 nan 0.000 0.514 430 L N 3.847 125.274 121.223 0.339 0.000 2.395 430 L HA 0.110 4.403 4.340 -0.078 0.000 0.218 430 L C 0.209 177.185 176.870 0.177 0.000 1.130 430 L CA 0.306 55.302 54.840 0.261 0.000 0.826 430 L CB -0.268 41.884 42.059 0.155 0.000 0.941 430 L HN 0.408 nan 8.230 nan 0.000 0.451 431 V N 0.979 121.012 119.914 0.198 0.000 2.383 431 V HA 0.155 4.228 4.120 -0.078 0.000 0.275 431 V C 0.199 176.381 176.094 0.147 0.000 1.036 431 V CA -0.535 61.868 62.300 0.172 0.000 0.889 431 V CB 1.541 33.504 31.823 0.232 0.000 0.985 431 V HN 0.166 nan 8.190 nan 0.000 0.459 432 E N 4.702 124.965 120.200 0.105 0.000 2.134 432 E HA 0.324 4.627 4.350 -0.078 0.000 0.278 432 E C -0.460 176.189 176.600 0.083 0.000 0.959 432 E CA -0.628 55.822 56.400 0.085 0.000 0.783 432 E CB 1.074 30.796 29.700 0.036 0.000 1.095 432 E HN 0.656 nan 8.360 nan 0.000 0.399 433 E N 2.107 122.355 120.200 0.079 0.000 2.622 433 E HA 0.601 4.904 4.350 -0.078 0.000 0.255 433 E C 0.535 177.171 176.600 0.060 0.000 1.313 433 E CA -0.187 56.255 56.400 0.071 0.000 1.011 433 E CB 1.103 30.839 29.700 0.061 0.000 1.173 433 E HN 0.828 nan 8.360 nan 0.000 0.601 434 G N -0.935 107.897 108.800 0.055 0.000 2.270 434 G HA2 0.085 3.998 3.960 -0.078 0.000 0.268 434 G HA3 0.085 3.998 3.960 -0.078 0.000 0.268 434 G C 0.436 175.365 174.900 0.048 0.000 1.312 434 G CA 0.372 45.501 45.100 0.048 0.000 1.050 434 G HN 0.471 nan 8.290 nan 0.000 0.474 435 A N -1.138 121.710 122.820 0.046 0.000 1.940 435 A HA 0.409 4.682 4.320 -0.078 0.000 0.219 435 A C 1.146 178.764 177.584 0.057 0.000 1.176 435 A CA 2.635 54.699 52.037 0.044 0.000 0.631 435 A CB -0.408 18.616 19.000 0.041 0.000 0.814 435 A HN 1.719 nan 8.150 nan 0.000 0.446 436 V N -0.333 119.626 119.914 0.074 0.000 2.638 436 V HA 0.282 4.355 4.120 -0.078 0.000 0.306 436 V C -0.212 175.950 176.094 0.114 0.000 1.052 436 V CA -1.025 61.338 62.300 0.106 0.000 0.885 436 V CB 1.799 33.704 31.823 0.137 0.000 0.999 436 V HN 0.385 nan 8.190 nan 0.000 0.424 437 K N 4.623 125.105 120.400 0.135 0.000 2.349 437 K HA 0.499 4.772 4.320 -0.078 0.000 0.288 437 K C -0.225 176.459 176.600 0.140 0.000 1.058 437 K CA -0.189 56.178 56.287 0.132 0.000 0.953 437 K CB 0.495 33.082 32.500 0.144 0.000 0.997 437 K HN 0.684 nan 8.250 nan 0.000 0.477 438 R N 3.082 123.645 120.500 0.105 0.000 2.905 438 R HA 0.517 4.809 4.340 -0.078 0.000 0.260 438 R C -0.735 175.601 176.300 0.059 0.000 1.086 438 R CA -1.096 55.054 56.100 0.083 0.000 0.978 438 R CB 1.034 31.362 30.300 0.047 0.000 1.215 438 R HN 0.373 nan 8.270 nan 0.000 0.480 439 I N 1.700 122.296 120.570 0.042 0.000 2.378 439 I HA 0.184 4.307 4.170 -0.078 0.000 0.291 439 I C -0.431 175.659 176.117 -0.046 0.000 0.992 439 I CA -0.799 60.508 61.300 0.013 0.000 1.154 439 I CB 1.324 39.326 38.000 0.004 0.000 1.315 439 I HN 0.544 nan 8.210 nan 0.000 0.448 440 N N 7.063 125.704 118.700 -0.099 0.000 2.402 440 N HA 0.095 4.788 4.740 -0.078 0.000 0.252 440 N C 0.812 176.207 175.510 -0.191 0.000 1.118 440 N CA -0.324 52.578 53.050 -0.247 0.000 0.945 440 N CB 1.012 39.181 38.487 -0.530 0.000 1.147 440 N HN 0.380 nan 8.380 nan 0.000 0.495 441 M N 2.524 122.012 119.600 -0.188 0.000 2.296 441 M HA -0.051 4.382 4.480 -0.078 0.000 0.265 441 M C 1.926 178.071 176.300 -0.258 0.000 1.064 441 M CA 0.683 55.894 55.300 -0.149 0.000 1.109 441 M CB -1.551 31.005 32.600 -0.075 0.000 1.396 441 M HN 0.599 nan 8.290 nan 0.000 0.430 442 A N -0.384 122.278 122.820 -0.263 0.000 1.898 442 A HA -0.161 4.112 4.320 -0.078 0.000 0.216 442 A C 1.988 179.335 177.584 -0.395 0.000 1.181 442 A CA 1.385 53.231 52.037 -0.317 0.000 0.620 442 A CB -1.130 17.906 19.000 0.060 0.000 0.819 442 A HN 0.590 nan 8.150 nan 0.000 0.442 443 H N -1.504 117.320 119.070 -0.411 0.000 2.387 443 H HA -0.102 4.406 4.556 -0.080 0.000 0.299 443 H C 2.072 177.159 175.328 -0.401 0.000 1.090 443 H CA 1.079 56.841 56.048 -0.477 0.000 1.332 443 H CB 0.022 29.715 29.762 -0.115 0.000 1.386 443 H HN 0.437 nan 8.280 nan 0.000 0.516 444 L N 0.570 121.696 121.223 -0.160 0.000 2.027 444 L HA -0.139 4.154 4.340 -0.078 0.000 0.206 444 L C 2.269 179.007 176.870 -0.220 0.000 1.074 444 L CA 1.405 56.158 54.840 -0.145 0.000 0.745 444 L CB -0.804 41.201 42.059 -0.090 0.000 0.898 444 L HN 0.268 nan 8.230 nan 0.000 0.433 445 C N -0.252 118.822 119.300 -0.376 0.000 2.429 445 C HA -0.133 4.280 4.460 -0.078 0.000 0.277 445 C C 2.757 177.529 174.990 -0.364 0.000 1.262 445 C CA 0.969 59.709 59.018 -0.463 0.000 1.733 445 C CB -0.921 26.189 27.740 -1.049 0.000 2.010 445 C HN 0.597 nan 8.230 nan 0.000 0.483 446 I N 1.305 121.604 120.570 -0.452 0.000 2.226 446 I HA -0.205 3.918 4.170 -0.078 0.000 0.245 446 I C 2.734 178.691 176.117 -0.266 0.000 1.100 446 I CA 1.638 62.706 61.300 -0.386 0.000 1.374 446 I CB -0.549 37.068 38.000 -0.638 0.000 1.057 446 I HN 0.280 nan 8.210 nan 0.000 0.413 447 A N 0.448 123.067 122.820 -0.335 0.000 1.969 447 A HA -0.054 4.219 4.320 -0.078 0.000 0.218 447 A C 2.123 179.756 177.584 0.082 0.000 1.169 447 A CA 1.743 53.617 52.037 -0.273 0.000 0.635 447 A CB -0.901 17.773 19.000 -0.542 0.000 0.810 447 A HN 0.477 nan 8.150 nan 0.000 0.445 448 G N -1.073 107.724 108.800 -0.005 0.000 3.502 448 G HA2 0.438 4.350 3.960 -0.078 0.000 0.267 448 G HA3 0.438 4.350 3.960 -0.078 0.000 0.267 448 G C -0.080 174.671 174.900 -0.249 0.000 1.090 448 G CA 0.337 45.330 45.100 -0.178 0.000 0.795 448 G HN 0.292 nan 8.290 nan 0.000 0.535 449 S N 0.002 115.603 115.700 -0.165 0.000 2.526 449 S HA 0.301 4.723 4.470 -0.078 0.000 0.293 449 S C 0.671 175.204 174.600 -0.111 0.000 1.092 449 S CA -0.731 57.388 58.200 -0.136 0.000 0.980 449 S CB 1.182 64.307 63.200 -0.125 0.000 1.048 449 S HN 0.509 nan 8.310 nan 0.000 0.483 450 H N 0.099 119.122 119.070 -0.078 0.000 2.547 450 H HA 0.505 5.013 4.556 -0.079 0.000 0.266 450 H C 0.094 175.395 175.328 -0.045 0.000 0.988 450 H CA 0.231 56.259 56.048 -0.033 0.000 1.147 450 H CB 0.092 29.849 29.762 -0.007 0.000 1.365 450 H HN 0.525 nan 8.280 nan 0.000 0.589 451 A N 0.778 123.303 122.820 -0.491 0.000 2.540 451 A HA 0.534 4.807 4.320 -0.078 0.000 0.297 451 A C -1.510 175.860 177.584 -0.357 0.000 1.056 451 A CA -0.570 51.218 52.037 -0.416 0.000 0.700 451 A CB 1.979 20.710 19.000 -0.449 0.000 1.280 451 A HN 0.094 nan 8.150 nan 0.000 0.398 452 V N 4.215 123.870 119.914 -0.431 0.000 2.577 452 V HA 0.557 4.630 4.120 -0.078 0.000 0.303 452 V C -0.756 175.141 176.094 -0.328 0.000 1.042 452 V CA -0.751 61.304 62.300 -0.409 0.000 0.872 452 V CB 1.850 33.300 31.823 -0.622 0.000 0.998 452 V HN 1.007 nan 8.190 nan 0.000 0.423 453 N N 3.130 121.667 118.700 -0.272 0.000 2.225 453 N HA 0.561 5.254 4.740 -0.078 0.000 0.298 453 N C -0.151 175.262 175.510 -0.161 0.000 1.076 453 N CA -0.379 52.555 53.050 -0.194 0.000 0.792 453 N CB 2.804 41.151 38.487 -0.234 0.000 1.498 453 N HN 0.631 nan 8.380 nan 0.000 0.474 454 G N -0.444 108.291 108.800 -0.109 0.000 2.588 454 G HA2 0.322 4.235 3.960 -0.078 0.000 0.281 454 G HA3 0.322 4.235 3.960 -0.078 0.000 0.281 454 G C 0.035 174.984 174.900 0.082 0.000 1.236 454 G CA -0.553 44.512 45.100 -0.059 0.000 0.969 454 G HN 0.405 nan 8.290 nan 0.000 0.504 455 V N -0.235 119.863 119.914 0.307 0.000 3.380 455 V HA 0.613 4.686 4.120 -0.078 0.000 0.307 455 V C 0.638 176.816 176.094 0.140 0.000 1.434 455 V CA 0.953 63.339 62.300 0.143 0.000 1.075 455 V CB -0.487 31.350 31.823 0.024 0.000 0.954 455 V HN 1.173 nan 8.190 nan 0.000 0.444 456 A N -0.726 122.188 122.820 0.157 0.000 2.590 456 A HA 0.528 4.801 4.320 -0.078 0.000 0.296 456 A C 0.493 178.130 177.584 0.088 0.000 1.050 456 A CA -0.071 52.037 52.037 0.119 0.000 0.697 456 A CB 0.802 19.865 19.000 0.106 0.000 1.277 456 A HN 0.080 nan 8.150 nan 0.000 0.411 457 R N 0.984 121.515 120.500 0.052 0.000 2.115 457 R HA -0.186 4.107 4.340 -0.078 0.000 0.239 457 R C 1.796 178.096 176.300 0.000 0.000 1.133 457 R CA 2.513 58.620 56.100 0.012 0.000 0.935 457 R CB -0.324 29.980 30.300 0.007 0.000 0.853 457 R HN 0.810 nan 8.270 nan 0.000 0.433 458 I N 0.065 120.645 120.570 0.018 0.000 2.286 458 I HA -0.292 3.831 4.170 -0.078 0.000 0.248 458 I C 2.242 178.368 176.117 0.016 0.000 1.115 458 I CA 1.852 63.154 61.300 0.004 0.000 1.392 458 I CB -0.203 37.801 38.000 0.008 0.000 1.065 458 I HN 0.389 nan 8.210 nan 0.000 0.418 459 H N 0.296 119.335 119.070 -0.052 0.000 2.326 459 H HA -0.113 4.396 4.556 -0.078 0.000 0.301 459 H C 2.274 177.553 175.328 -0.081 0.000 1.081 459 H CA 2.211 58.218 56.048 -0.069 0.000 1.334 459 H CB -0.337 29.391 29.762 -0.058 0.000 1.385 459 H HN 0.240 nan 8.280 nan 0.000 0.504 460 S N 0.382 115.934 115.700 -0.247 0.000 2.399 460 S HA -0.125 4.298 4.470 -0.078 0.000 0.231 460 S C 1.896 176.356 174.600 -0.233 0.000 1.022 460 S CA 1.217 59.246 58.200 -0.285 0.000 0.983 460 S CB -0.082 63.038 63.200 -0.133 0.000 0.803 460 S HN 0.467 nan 8.310 nan 0.000 0.480 461 E N 1.209 121.305 120.200 -0.174 0.000 2.072 461 E HA 0.010 4.312 4.350 -0.078 0.000 0.191 461 E C 2.005 178.490 176.600 -0.192 0.000 0.985 461 E CA 0.627 56.922 56.400 -0.175 0.000 0.801 461 E CB -0.379 29.252 29.700 -0.115 0.000 0.750 461 E HN 0.512 nan 8.360 nan 0.000 0.452 462 I N 0.832 121.299 120.570 -0.172 0.000 2.226 462 I HA -0.277 3.846 4.170 -0.078 0.000 0.245 462 I C 2.428 178.415 176.117 -0.217 0.000 1.100 462 I CA 0.797 62.003 61.300 -0.157 0.000 1.374 462 I CB -0.266 37.673 38.000 -0.103 0.000 1.057 462 I HN 0.062 nan 8.210 nan 0.000 0.413 463 L N 0.490 121.526 121.223 -0.311 0.000 2.012 463 L HA -0.258 4.035 4.340 -0.078 0.000 0.210 463 L C 2.518 179.251 176.870 -0.229 0.000 1.073 463 L CA 1.697 56.331 54.840 -0.344 0.000 0.748 463 L CB -0.562 41.290 42.059 -0.346 0.000 0.891 463 L HN 0.179 nan 8.230 nan 0.000 0.431 464 K N -0.162 120.057 120.400 -0.301 0.000 2.209 464 K HA -0.158 4.115 4.320 -0.078 0.000 0.204 464 K C 1.967 178.383 176.600 -0.306 0.000 1.048 464 K CA 1.146 57.144 56.287 -0.480 0.000 0.940 464 K CB 0.056 32.073 32.500 -0.805 0.000 0.729 464 K HN 0.289 nan 8.250 nan 0.000 0.451 465 K N -0.438 119.838 120.400 -0.207 0.000 2.334 465 K HA 0.006 4.279 4.320 -0.078 0.000 0.195 465 K C 1.649 178.209 176.600 -0.067 0.000 1.045 465 K CA 1.088 57.305 56.287 -0.116 0.000 1.004 465 K CB 0.654 33.092 32.500 -0.104 0.000 0.837 465 K HN 0.242 nan 8.250 nan 0.000 0.510 466 T N -0.838 113.668 114.554 -0.081 0.000 2.435 466 T HA 0.086 4.389 4.350 -0.078 0.000 0.177 466 T C 1.894 176.594 174.700 -0.001 0.000 0.716 466 T CA -0.074 61.998 62.100 -0.047 0.000 1.523 466 T CB -0.769 68.057 68.868 -0.070 0.000 2.878 466 T HN 0.091 nan 8.240 nan 0.000 0.405 467 I N -0.834 119.706 120.570 -0.051 0.000 2.315 467 I HA -0.018 4.105 4.170 -0.078 0.000 0.251 467 I C 1.318 177.667 176.117 0.386 0.000 1.125 467 I CA 1.802 63.130 61.300 0.048 0.000 1.392 467 I CB -0.666 37.236 38.000 -0.162 0.000 1.065 467 I HN 0.128 nan 8.210 nan 0.000 0.424 468 F N 1.332 121.347 119.950 0.108 0.000 2.647 468 F HA 0.338 4.819 4.527 -0.076 0.000 0.300 468 F C 1.980 177.826 175.800 0.076 0.000 1.106 468 F CA -0.875 57.232 58.000 0.177 0.000 1.313 468 F CB -0.731 38.345 39.000 0.127 0.000 1.007 468 F HN 0.081 nan 8.300 nan 0.000 0.536 469 K N 0.769 121.290 120.400 0.203 0.000 2.032 469 K HA -0.178 4.095 4.320 -0.078 0.000 0.209 469 K C 1.341 177.993 176.600 0.087 0.000 1.048 469 K CA 1.958 58.303 56.287 0.096 0.000 0.927 469 K CB 0.068 32.597 32.500 0.049 0.000 0.712 469 K HN 0.046 nan 8.250 nan 0.000 0.441 470 D N 0.018 120.437 120.400 0.031 0.000 2.117 470 D HA -0.161 4.432 4.640 -0.078 0.000 0.197 470 D C 1.826 178.009 176.300 -0.195 0.000 0.987 470 D CA 1.227 55.110 54.000 -0.196 0.000 0.829 470 D CB -0.322 40.243 40.800 -0.393 0.000 0.961 470 D HN 0.225 nan 8.370 nan 0.000 0.460 471 F N -0.010 119.964 119.950 0.040 0.000 2.186 471 F HA -0.148 4.331 4.527 -0.080 0.000 0.299 471 F C 2.351 178.228 175.800 0.128 0.000 1.090 471 F CA 0.534 58.622 58.000 0.148 0.000 1.307 471 F CB -0.783 38.345 39.000 0.213 0.000 1.019 471 F HN -0.020 nan 8.300 nan 0.000 0.489 472 Y N 1.377 121.586 120.300 -0.153 0.000 2.274 472 Y HA -0.182 4.321 4.550 -0.078 0.000 0.290 472 Y C 2.013 177.892 175.900 -0.034 0.000 1.145 472 Y CA 1.529 59.391 58.100 -0.398 0.000 1.203 472 Y CB -0.590 37.495 38.460 -0.625 0.000 0.984 472 Y HN 0.170 nan 8.280 nan 0.000 0.533 473 E N -0.446 119.701 120.200 -0.088 0.000 2.107 473 E HA -0.154 4.149 4.350 -0.078 0.000 0.191 473 E C 1.974 178.633 176.600 0.099 0.000 0.982 473 E CA 1.068 57.434 56.400 -0.057 0.000 0.809 473 E CB -0.227 29.524 29.700 0.084 0.000 0.756 473 E HN 0.433 nan 8.360 nan 0.000 0.459 474 L N 1.099 122.424 121.223 0.170 0.000 2.044 474 L HA -0.052 4.241 4.340 -0.078 0.000 0.205 474 L C 0.324 177.298 176.870 0.174 0.000 1.075 474 L CA 1.726 56.710 54.840 0.239 0.000 0.747 474 L CB 0.347 42.540 42.059 0.223 0.000 0.903 474 L HN -0.107 nan 8.230 nan 0.000 0.435 475 E N 0.005 120.307 120.200 0.170 0.000 3.374 475 E HA 0.176 4.478 4.350 -0.078 0.000 0.223 475 E C -1.969 174.612 176.600 -0.032 0.000 1.210 475 E CA -1.263 55.169 56.400 0.054 0.000 0.987 475 E CB 0.787 30.504 29.700 0.029 0.000 1.322 475 E HN 0.220 nan 8.360 nan 0.000 0.404 476 P HA -0.269 nan 4.420 nan 0.000 0.216 476 P C 1.157 178.571 177.300 0.189 0.000 1.150 476 P CA 1.624 64.663 63.100 -0.101 0.000 0.843 476 P CB 0.019 31.524 31.700 -0.325 0.000 0.787 477 H N 0.071 119.244 119.070 0.172 0.000 2.426 477 H HA -0.056 4.452 4.556 -0.080 0.000 0.298 477 H C 1.906 177.321 175.328 0.145 0.000 1.107 477 H CA 1.331 57.467 56.048 0.147 0.000 1.298 477 H CB -1.037 28.782 29.762 0.094 0.000 1.377 477 H HN 0.117 nan 8.280 nan 0.000 0.519 478 K N 0.185 120.425 120.400 -0.267 0.000 2.097 478 K HA -0.039 4.234 4.320 -0.078 0.000 0.206 478 K C -0.303 176.117 176.600 -0.300 0.000 1.049 478 K CA 0.579 56.701 56.287 -0.274 0.000 0.933 478 K CB -0.067 32.139 32.500 -0.490 0.000 0.717 478 K HN 0.199 nan 8.250 nan 0.000 0.442 479 F N 2.154 122.126 119.950 0.035 0.000 2.472 479 F HA 0.110 4.589 4.527 -0.081 0.000 0.364 479 F C 0.568 176.370 175.800 0.004 0.000 1.090 479 F CA 0.161 58.188 58.000 0.046 0.000 1.188 479 F CB 0.490 39.571 39.000 0.135 0.000 1.105 479 F HN -0.043 nan 8.300 nan 0.000 0.536 480 Q N 1.905 121.717 119.800 0.020 0.000 2.552 480 Q HA 0.386 4.679 4.340 -0.078 0.000 0.289 480 Q C -0.970 174.982 176.000 -0.080 0.000 1.097 480 Q CA -1.250 54.525 55.803 -0.046 0.000 0.812 480 Q CB 3.133 31.789 28.738 -0.137 0.000 1.460 480 Q HN 0.651 nan 8.270 nan 0.000 0.452 481 N N 0.525 119.160 118.700 -0.108 0.000 2.269 481 N HA 0.282 4.975 4.740 -0.078 0.000 0.304 481 N C -1.402 174.006 175.510 -0.171 0.000 1.072 481 N CA -0.417 52.568 53.050 -0.108 0.000 0.802 481 N CB 1.107 39.553 38.487 -0.068 0.000 1.348 481 N HN 0.265 nan 8.380 nan 0.000 0.484 482 K N 2.677 122.982 120.400 -0.159 0.000 2.895 482 K HA 0.163 4.436 4.320 -0.078 0.000 0.191 482 K C -0.991 175.616 176.600 0.011 0.000 1.117 482 K CA -0.429 55.733 56.287 -0.210 0.000 0.988 482 K CB 0.922 33.065 32.500 -0.595 0.000 1.181 482 K HN 0.577 nan 8.250 nan 0.000 0.598 483 T N 2.454 117.028 114.554 0.033 0.000 2.866 483 T HA 0.006 4.309 4.350 -0.078 0.000 0.293 483 T C 0.868 175.689 174.700 0.201 0.000 1.005 483 T CA 0.357 62.527 62.100 0.117 0.000 1.162 483 T CB 0.107 69.039 68.868 0.107 0.000 0.968 483 T HN 0.236 nan 8.240 nan 0.000 0.530 484 N N 1.313 120.157 118.700 0.240 0.000 2.231 484 N HA 0.406 5.099 4.740 -0.078 0.000 0.223 484 N C 0.579 176.278 175.510 0.313 0.000 1.329 484 N CA 0.341 53.568 53.050 0.295 0.000 0.889 484 N CB 0.345 38.952 38.487 0.201 0.000 1.125 484 N HN 0.887 nan 8.380 nan 0.000 0.447 485 G N -1.423 107.567 108.800 0.315 0.000 2.576 485 G HA2 0.562 4.475 3.960 -0.078 0.000 0.290 485 G HA3 0.562 4.475 3.960 -0.078 0.000 0.290 485 G C -1.229 173.814 174.900 0.239 0.000 1.442 485 G CA -0.702 44.574 45.100 0.294 0.000 0.792 485 G HN 0.570 nan 8.290 nan 0.000 0.491 486 I N -1.979 118.717 120.570 0.209 0.000 2.892 486 I HA 0.796 4.919 4.170 -0.078 0.000 0.306 486 I C -0.142 176.148 176.117 0.288 0.000 1.078 486 I CA -0.946 60.473 61.300 0.199 0.000 1.032 486 I CB 2.446 40.448 38.000 0.004 0.000 1.229 486 I HN 0.527 nan 8.210 nan 0.000 0.435 487 T N 4.095 118.878 114.554 0.381 0.000 2.794 487 T HA 0.354 4.656 4.350 -0.078 0.000 0.296 487 T C -1.338 173.500 174.700 0.231 0.000 0.949 487 T CA -1.657 60.594 62.100 0.251 0.000 1.101 487 T CB 0.838 69.805 68.868 0.166 0.000 0.905 487 T HN 0.651 nan 8.240 nan 0.000 0.516 488 P HA 0.031 nan 4.420 nan 0.000 0.233 488 P C 1.069 178.351 177.300 -0.030 0.000 1.167 488 P CA 0.337 63.489 63.100 0.088 0.000 0.770 488 P CB 0.393 32.132 31.700 0.065 0.000 0.837 489 R N 0.612 121.047 120.500 -0.107 0.000 2.056 489 R HA -0.005 4.288 4.340 -0.078 0.000 0.227 489 R C 2.747 178.946 176.300 -0.170 0.000 1.149 489 R CA 1.633 57.622 56.100 -0.184 0.000 0.937 489 R CB -1.266 28.930 30.300 -0.174 0.000 0.835 489 R HN 0.080 nan 8.270 nan 0.000 0.430 490 R N -0.767 119.588 120.500 -0.242 0.000 2.075 490 R HA -0.106 4.187 4.340 -0.078 0.000 0.232 490 R C 0.917 176.879 176.300 -0.563 0.000 1.126 490 R CA 1.532 57.344 56.100 -0.480 0.000 0.963 490 R CB -0.253 29.618 30.300 -0.715 0.000 0.858 490 R HN 0.279 nan 8.270 nan 0.000 0.435 491 W N 0.300 121.573 121.300 -0.045 0.000 3.447 491 W HA 0.257 4.870 4.660 -0.079 0.000 0.348 491 W C 1.157 177.659 176.519 -0.029 0.000 1.220 491 W CA -0.427 56.891 57.345 -0.047 0.000 1.809 491 W CB 0.383 29.823 29.460 -0.034 0.000 1.040 491 W HN 0.218 nan 8.180 nan 0.000 0.735 492 L N -2.829 118.452 121.223 0.096 0.000 1.654 492 L HA -0.043 4.250 4.340 -0.078 0.000 0.132 492 L C 1.721 178.617 176.870 0.044 0.000 1.375 492 L CA 0.243 55.141 54.840 0.097 0.000 1.120 492 L CB -0.656 41.494 42.059 0.153 0.000 2.321 492 L HN -0.320 nan 8.230 nan 0.000 0.472 493 V N 1.751 121.667 119.914 0.003 0.000 2.343 493 V HA -0.271 3.802 4.120 -0.078 0.000 0.247 493 V C 2.350 178.419 176.094 -0.041 0.000 1.051 493 V CA 2.025 64.313 62.300 -0.019 0.000 1.036 493 V CB -0.379 31.395 31.823 -0.082 0.000 0.654 493 V HN 0.320 nan 8.190 nan 0.000 0.451 494 L N 0.411 121.578 121.223 -0.092 0.000 2.022 494 L HA -0.137 4.156 4.340 -0.078 0.000 0.204 494 L C 2.847 179.653 176.870 -0.106 0.000 1.076 494 L CA 1.901 56.671 54.840 -0.117 0.000 0.749 494 L CB -1.028 40.910 42.059 -0.202 0.000 0.903 494 L HN 0.597 nan 8.230 nan 0.000 0.439 495 C N -1.381 117.840 119.300 -0.132 0.000 2.432 495 C HA -0.013 4.399 4.460 -0.078 0.000 0.282 495 C C 1.348 176.315 174.990 -0.037 0.000 1.388 495 C CA 0.149 59.111 59.018 -0.093 0.000 1.777 495 C CB -1.059 26.635 27.740 -0.077 0.000 1.882 495 C HN 0.556 nan 8.230 nan 0.000 0.520 496 N N 0.974 119.665 118.700 -0.014 0.000 2.703 496 N HA 0.262 4.955 4.740 -0.078 0.000 0.283 496 N C -1.609 173.911 175.510 0.016 0.000 1.851 496 N CA -1.627 51.425 53.050 0.003 0.000 0.826 496 N CB 0.641 39.138 38.487 0.016 0.000 1.239 496 N HN 0.277 nan 8.380 nan 0.000 0.495 497 P HA -0.072 nan 4.420 nan 0.000 0.218 497 P C 1.369 178.684 177.300 0.025 0.000 1.148 497 P CA 0.983 64.095 63.100 0.020 0.000 0.822 497 P CB 0.236 31.941 31.700 0.008 0.000 0.784 498 G N 0.567 109.374 108.800 0.013 0.000 2.421 498 G HA2 -0.238 3.675 3.960 -0.078 0.000 0.216 498 G HA3 -0.238 3.675 3.960 -0.078 0.000 0.216 498 G C 1.541 176.443 174.900 0.004 0.000 1.171 498 G CA 0.620 45.723 45.100 0.006 0.000 0.775 498 G HN 0.246 nan 8.290 nan 0.000 0.543 499 L N 1.248 122.473 121.223 0.003 0.000 2.072 499 L HA 0.260 4.553 4.340 -0.078 0.000 0.205 499 L C 3.078 179.961 176.870 0.020 0.000 1.079 499 L CA 1.984 56.819 54.840 -0.008 0.000 0.752 499 L CB -0.713 41.342 42.059 -0.006 0.000 0.906 499 L HN 0.229 nan 8.230 nan 0.000 0.436 500 A N -0.783 122.079 122.820 0.071 0.000 1.908 500 A HA -0.284 3.989 4.320 -0.078 0.000 0.218 500 A C 2.327 180.005 177.584 0.157 0.000 1.181 500 A CA 1.922 54.061 52.037 0.169 0.000 0.627 500 A CB -0.722 18.388 19.000 0.183 0.000 0.818 500 A HN 0.631 nan 8.150 nan 0.000 0.445 501 E N -0.254 120.000 120.200 0.090 0.000 2.047 501 E HA -0.129 4.174 4.350 -0.078 0.000 0.191 501 E C 1.864 178.496 176.600 0.053 0.000 0.987 501 E CA 1.441 57.884 56.400 0.072 0.000 0.799 501 E CB -0.150 29.576 29.700 0.043 0.000 0.752 501 E HN 0.286 nan 8.360 nan 0.000 0.449 502 V N 1.436 121.368 119.914 0.030 0.000 2.392 502 V HA -0.272 3.801 4.120 -0.078 0.000 0.249 502 V C 2.361 178.489 176.094 0.056 0.000 1.059 502 V CA 1.594 63.913 62.300 0.031 0.000 1.051 502 V CB -0.369 31.444 31.823 -0.018 0.000 0.658 502 V HN 0.355 nan 8.190 nan 0.000 0.455 503 I N 0.078 120.650 120.570 0.003 0.000 2.163 503 I HA -0.204 3.919 4.170 -0.078 0.000 0.240 503 I C 2.702 178.739 176.117 -0.133 0.000 1.081 503 I CA 1.397 62.625 61.300 -0.120 0.000 1.353 503 I CB -0.645 37.120 38.000 -0.392 0.000 1.054 503 I HN 0.293 nan 8.210 nan 0.000 0.407 504 A N 0.585 123.427 122.820 0.037 0.000 1.917 504 A HA -0.277 3.995 4.320 -0.078 0.000 0.219 504 A C 2.147 179.761 177.584 0.051 0.000 1.182 504 A CA 1.962 54.098 52.037 0.165 0.000 0.633 504 A CB -0.769 18.371 19.000 0.233 0.000 0.819 504 A HN 0.461 nan 8.150 nan 0.000 0.448 505 E N -1.030 119.183 120.200 0.021 0.000 2.187 505 E HA -0.230 4.073 4.350 -0.078 0.000 0.199 505 E C 2.233 178.799 176.600 -0.056 0.000 1.004 505 E CA 1.226 57.626 56.400 0.000 0.000 0.813 505 E CB -0.050 29.657 29.700 0.011 0.000 0.736 505 E HN 0.408 nan 8.360 nan 0.000 0.468 506 R N -0.097 120.305 120.500 -0.163 0.000 2.105 506 R HA 0.091 4.384 4.340 -0.078 0.000 0.214 506 R C 2.280 178.444 176.300 -0.226 0.000 1.091 506 R CA 0.864 56.756 56.100 -0.347 0.000 1.007 506 R CB -0.146 29.605 30.300 -0.914 0.000 0.912 506 R HN 0.336 nan 8.270 nan 0.000 0.450 507 I N -3.158 117.310 120.570 -0.169 0.000 4.081 507 I HA 0.436 4.559 4.170 -0.078 0.000 0.333 507 I C 0.376 176.534 176.117 0.068 0.000 1.413 507 I CA 0.054 61.323 61.300 -0.052 0.000 1.110 507 I CB 0.702 38.649 38.000 -0.088 0.000 1.082 507 I HN 0.146 nan 8.210 nan 0.000 0.402 508 G N 2.194 111.050 108.800 0.094 0.000 2.728 508 G HA2 -0.222 3.691 3.960 -0.078 0.000 0.294 508 G HA3 -0.222 3.691 3.960 -0.078 0.000 0.294 508 G C -0.133 174.931 174.900 0.273 0.000 1.342 508 G CA 0.073 45.258 45.100 0.141 0.000 0.866 508 G HN 0.479 nan 8.290 nan 0.000 0.534 509 E N -0.206 120.087 120.200 0.156 0.000 2.463 509 E HA 0.105 4.408 4.350 -0.078 0.000 0.193 509 E C 1.033 177.556 176.600 -0.128 0.000 1.041 509 E CA 0.082 56.489 56.400 0.013 0.000 0.879 509 E CB 0.201 29.895 29.700 -0.010 0.000 0.997 509 E HN 0.445 nan 8.360 nan 0.000 0.478 510 D N 0.740 121.163 120.400 0.038 0.000 2.178 510 D HA -0.167 4.425 4.640 -0.078 0.000 0.201 510 D C 1.714 177.999 176.300 -0.025 0.000 0.980 510 D CA 0.799 54.809 54.000 0.018 0.000 0.842 510 D CB -0.185 40.660 40.800 0.074 0.000 0.948 510 D HN 0.339 nan 8.370 nan 0.000 0.472 511 F N 0.843 120.796 119.950 0.005 0.000 2.192 511 F HA -0.126 4.354 4.527 -0.079 0.000 0.301 511 F C 2.042 177.821 175.800 -0.036 0.000 1.079 511 F CA 0.648 58.644 58.000 -0.007 0.000 1.303 511 F CB -1.162 37.837 39.000 -0.003 0.000 1.024 511 F HN -0.104 nan 8.300 nan 0.000 0.494 512 I N 1.017 120.989 120.570 -0.997 0.000 2.300 512 I HA -0.285 3.838 4.170 -0.078 0.000 0.252 512 I C 1.691 177.535 176.117 -0.456 0.000 1.119 512 I CA 1.829 62.648 61.300 -0.800 0.000 1.384 512 I CB -0.659 36.781 38.000 -0.932 0.000 1.062 512 I HN 0.478 nan 8.210 nan 0.000 0.426 513 S N -1.971 113.577 115.700 -0.254 0.000 2.754 513 S HA 0.227 4.650 4.470 -0.078 0.000 0.247 513 S C 0.013 174.601 174.600 -0.020 0.000 1.031 513 S CA -0.529 57.611 58.200 -0.099 0.000 1.014 513 S CB 0.382 63.600 63.200 0.030 0.000 0.918 513 S HN 0.368 nan 8.310 nan 0.000 0.519 514 D N 0.422 120.818 120.400 -0.006 0.000 3.117 514 D HA 0.189 4.782 4.640 -0.078 0.000 0.241 514 D C 0.439 176.790 176.300 0.085 0.000 1.385 514 D CA -0.378 53.645 54.000 0.039 0.000 0.855 514 D CB 0.001 40.827 40.800 0.043 0.000 1.498 514 D HN 0.042 nan 8.370 nan 0.000 0.584 515 L N 1.169 122.445 121.223 0.089 0.000 2.129 515 L HA -0.087 4.205 4.340 -0.078 0.000 0.212 515 L C 1.476 178.412 176.870 0.109 0.000 1.087 515 L CA 1.780 56.704 54.840 0.139 0.000 0.757 515 L CB -0.193 41.938 42.059 0.121 0.000 0.896 515 L HN 0.378 nan 8.230 nan 0.000 0.434 516 D N -1.184 119.253 120.400 0.062 0.000 2.354 516 D HA -0.230 4.363 4.640 -0.078 0.000 0.216 516 D C 1.982 178.314 176.300 0.052 0.000 0.970 516 D CA 0.631 54.654 54.000 0.037 0.000 0.905 516 D CB 0.168 40.974 40.800 0.011 0.000 0.903 516 D HN 0.430 nan 8.370 nan 0.000 0.508 517 Q N 0.383 120.235 119.800 0.087 0.000 2.226 517 Q HA -0.051 4.242 4.340 -0.078 0.000 0.204 517 Q C 2.135 178.169 176.000 0.057 0.000 0.975 517 Q CA 0.559 56.419 55.803 0.095 0.000 0.866 517 Q CB -0.239 28.604 28.738 0.174 0.000 0.915 517 Q HN 0.349 nan 8.270 nan 0.000 0.440 518 L N -0.317 120.933 121.223 0.046 0.000 2.265 518 L HA -0.189 4.104 4.340 -0.078 0.000 0.215 518 L C 2.139 179.010 176.870 0.002 0.000 1.117 518 L CA 1.062 55.889 54.840 -0.021 0.000 0.782 518 L CB -0.361 41.698 42.059 -0.001 0.000 0.914 518 L HN 0.229 nan 8.230 nan 0.000 0.441 519 R N 0.379 120.893 120.500 0.024 0.000 2.159 519 R HA -0.189 4.104 4.340 -0.078 0.000 0.237 519 R C 2.105 178.424 176.300 0.033 0.000 1.131 519 R CA 1.106 57.223 56.100 0.029 0.000 0.982 519 R CB -0.303 30.011 30.300 0.022 0.000 0.868 519 R HN 0.394 nan 8.270 nan 0.000 0.453 520 K N 0.313 120.730 120.400 0.029 0.000 2.211 520 K HA -0.136 4.137 4.320 -0.078 0.000 0.204 520 K C 1.616 178.275 176.600 0.098 0.000 1.047 520 K CA 0.867 57.187 56.287 0.055 0.000 0.935 520 K CB -0.091 32.438 32.500 0.048 0.000 0.728 520 K HN 0.024 nan 8.250 nan 0.000 0.452 521 L N 0.571 121.811 121.223 0.029 0.000 2.353 521 L HA -0.145 4.147 4.340 -0.078 0.000 0.220 521 L C 1.806 178.765 176.870 0.150 0.000 1.133 521 L CA 1.109 55.959 54.840 0.018 0.000 0.798 521 L CB -0.536 41.532 42.059 0.015 0.000 0.922 521 L HN 0.121 nan 8.230 nan 0.000 0.445 522 L N -0.961 120.327 121.223 0.108 0.000 2.127 522 L HA -0.175 4.118 4.340 -0.078 0.000 0.211 522 L C 2.417 179.319 176.870 0.054 0.000 1.089 522 L CA 1.374 56.264 54.840 0.083 0.000 0.757 522 L CB -1.091 40.995 42.059 0.044 0.000 0.899 522 L HN 0.225 nan 8.230 nan 0.000 0.434 523 S N -1.152 114.566 115.700 0.030 0.000 2.507 523 S HA -0.037 4.386 4.470 -0.078 0.000 0.235 523 S C 1.068 175.427 174.600 -0.402 0.000 0.988 523 S CA 0.596 58.685 58.200 -0.186 0.000 0.944 523 S CB -0.297 62.728 63.200 -0.292 0.000 0.762 523 S HN 0.349 nan 8.310 nan 0.000 0.526 524 F N -0.779 119.074 119.950 -0.161 0.000 2.654 524 F HA 0.356 4.836 4.527 -0.078 0.000 0.303 524 F C 1.492 177.326 175.800 0.056 0.000 1.099 524 F CA -0.603 57.290 58.000 -0.177 0.000 1.270 524 F CB -0.161 38.438 39.000 -0.670 0.000 1.024 524 F HN -0.004 nan 8.300 nan 0.000 0.548 525 V N 0.240 120.266 119.914 0.187 0.000 2.913 525 V HA -0.184 3.889 4.120 -0.078 0.000 0.260 525 V C 1.150 177.326 176.094 0.138 0.000 1.098 525 V CA 2.077 64.488 62.300 0.185 0.000 1.121 525 V CB -0.145 31.742 31.823 0.106 0.000 0.714 525 V HN 0.226 nan 8.190 nan 0.000 0.487 526 D N -0.802 119.652 120.400 0.090 0.000 2.433 526 D HA 0.122 4.715 4.640 -0.078 0.000 0.211 526 D C 0.231 176.576 176.300 0.074 0.000 1.114 526 D CA -0.017 54.019 54.000 0.060 0.000 0.837 526 D CB 0.326 41.133 40.800 0.012 0.000 0.984 526 D HN 0.496 nan 8.370 nan 0.000 0.505 527 D N 1.531 122.010 120.400 0.132 0.000 2.339 527 D HA -0.007 4.586 4.640 -0.078 0.000 0.256 527 D C 1.466 177.878 176.300 0.187 0.000 1.214 527 D CA 0.089 54.186 54.000 0.162 0.000 0.877 527 D CB 0.966 41.932 40.800 0.278 0.000 1.111 527 D HN -0.223 nan 8.370 nan 0.000 0.478 528 E N 3.020 123.291 120.200 0.119 0.000 2.058 528 E HA -0.239 4.064 4.350 -0.078 0.000 0.194 528 E C 1.863 178.529 176.600 0.109 0.000 0.997 528 E CA 1.248 57.705 56.400 0.095 0.000 0.801 528 E CB -0.382 29.354 29.700 0.060 0.000 0.746 528 E HN 0.633 nan 8.360 nan 0.000 0.450 529 A N 0.835 123.734 122.820 0.132 0.000 1.902 529 A HA -0.172 4.101 4.320 -0.078 0.000 0.217 529 A C 2.099 179.787 177.584 0.174 0.000 1.181 529 A CA 1.243 53.358 52.037 0.129 0.000 0.623 529 A CB -0.787 18.291 19.000 0.131 0.000 0.818 529 A HN 0.240 nan 8.150 nan 0.000 0.443 530 F N 0.725 120.716 119.950 0.068 0.000 2.102 530 F HA -0.156 4.324 4.527 -0.079 0.000 0.298 530 F C 2.039 177.861 175.800 0.035 0.000 1.105 530 F CA 1.471 59.500 58.000 0.048 0.000 1.239 530 F CB -0.388 38.677 39.000 0.108 0.000 0.991 530 F HN 0.181 nan 8.300 nan 0.000 0.474 531 I N -0.020 120.613 120.570 0.105 0.000 2.151 531 I HA -0.366 3.757 4.170 -0.078 0.000 0.243 531 I C 2.718 178.798 176.117 -0.060 0.000 1.080 531 I CA 1.831 63.125 61.300 -0.010 0.000 1.339 531 I CB -0.558 37.478 38.000 0.061 0.000 1.039 531 I HN 0.118 nan 8.210 nan 0.000 0.409 532 R N 0.948 121.439 120.500 -0.015 0.000 2.073 532 R HA -0.191 4.102 4.340 -0.078 0.000 0.234 532 R C 1.858 178.122 176.300 -0.059 0.000 1.134 532 R CA 1.987 58.072 56.100 -0.025 0.000 0.952 532 R CB -0.173 30.129 30.300 0.004 0.000 0.850 532 R HN 0.305 nan 8.270 nan 0.000 0.433 533 D N -0.061 120.295 120.400 -0.073 0.000 2.178 533 D HA -0.109 4.484 4.640 -0.078 0.000 0.202 533 D C 1.937 178.135 176.300 -0.170 0.000 0.974 533 D CA 0.968 54.911 54.000 -0.095 0.000 0.841 533 D CB -0.000 40.766 40.800 -0.055 0.000 0.953 533 D HN 0.118 nan 8.370 nan 0.000 0.478 534 V N 1.453 121.189 119.914 -0.297 0.000 2.358 534 V HA -0.204 3.869 4.120 -0.078 0.000 0.246 534 V C 2.545 178.552 176.094 -0.145 0.000 1.047 534 V CA 1.737 63.854 62.300 -0.305 0.000 1.035 534 V CB -0.671 30.882 31.823 -0.449 0.000 0.658 534 V HN 0.170 nan 8.190 nan 0.000 0.452 535 A N -0.345 122.412 122.820 -0.104 0.000 1.933 535 A HA -0.260 4.013 4.320 -0.078 0.000 0.218 535 A C 2.326 179.877 177.584 -0.055 0.000 1.175 535 A CA 2.136 54.143 52.037 -0.051 0.000 0.628 535 A CB -0.462 18.514 19.000 -0.041 0.000 0.814 535 A HN 0.536 nan 8.150 nan 0.000 0.444 536 K N -0.234 120.129 120.400 -0.062 0.000 2.057 536 K HA -0.086 4.187 4.320 -0.078 0.000 0.207 536 K C 1.783 178.355 176.600 -0.047 0.000 1.049 536 K CA 1.549 57.806 56.287 -0.050 0.000 0.931 536 K CB -0.255 32.219 32.500 -0.043 0.000 0.714 536 K HN 0.220 nan 8.250 nan 0.000 0.440 537 V N 1.542 121.423 119.914 -0.054 0.000 2.343 537 V HA -0.243 3.830 4.120 -0.078 0.000 0.247 537 V C 2.339 178.410 176.094 -0.037 0.000 1.051 537 V CA 1.899 64.173 62.300 -0.043 0.000 1.036 537 V CB -0.458 31.334 31.823 -0.052 0.000 0.654 537 V HN 0.318 nan 8.190 nan 0.000 0.451 538 K N 0.159 120.534 120.400 -0.040 0.000 2.002 538 K HA -0.220 4.053 4.320 -0.078 0.000 0.209 538 K C 2.231 178.790 176.600 -0.069 0.000 1.048 538 K CA 1.705 57.969 56.287 -0.037 0.000 0.930 538 K CB -0.533 31.962 32.500 -0.008 0.000 0.714 538 K HN 0.370 nan 8.250 nan 0.000 0.438 539 Q N 1.019 120.776 119.800 -0.071 0.000 2.030 539 Q HA -0.167 4.126 4.340 -0.078 0.000 0.204 539 Q C 1.789 177.751 176.000 -0.063 0.000 0.986 539 Q CA 2.132 57.882 55.803 -0.088 0.000 0.843 539 Q CB -0.212 28.485 28.738 -0.068 0.000 0.904 539 Q HN 0.444 nan 8.270 nan 0.000 0.420 540 E N -0.509 119.669 120.200 -0.037 0.000 2.070 540 E HA -0.217 4.086 4.350 -0.078 0.000 0.197 540 E C 1.804 178.407 176.600 0.005 0.000 1.004 540 E CA 1.236 57.628 56.400 -0.013 0.000 0.805 540 E CB -0.147 29.547 29.700 -0.010 0.000 0.744 540 E HN 0.408 nan 8.360 nan 0.000 0.451 541 N N 0.708 119.406 118.700 -0.003 0.000 2.166 541 N HA -0.142 4.551 4.740 -0.078 0.000 0.186 541 N C 1.515 177.063 175.510 0.063 0.000 1.019 541 N CA 0.980 54.045 53.050 0.025 0.000 0.856 541 N CB -0.103 38.382 38.487 -0.003 0.000 0.993 541 N HN 0.150 nan 8.380 nan 0.000 0.426 542 K N 0.594 120.974 120.400 -0.033 0.000 2.057 542 K HA -0.015 4.258 4.320 -0.078 0.000 0.207 542 K C 2.110 178.767 176.600 0.094 0.000 1.049 542 K CA 0.731 56.959 56.287 -0.099 0.000 0.931 542 K CB -0.148 32.080 32.500 -0.453 0.000 0.714 542 K HN 0.133 nan 8.250 nan 0.000 0.440 543 L N 1.034 122.286 121.223 0.048 0.000 2.027 543 L HA -0.178 4.115 4.340 -0.078 0.000 0.206 543 L C 2.621 179.565 176.870 0.123 0.000 1.074 543 L CA 1.250 56.135 54.840 0.075 0.000 0.745 543 L CB -0.384 41.695 42.059 0.033 0.000 0.898 543 L HN 0.157 nan 8.230 nan 0.000 0.433 544 K N -0.101 120.376 120.400 0.128 0.000 2.063 544 K HA -0.260 4.013 4.320 -0.078 0.000 0.208 544 K C 2.209 178.955 176.600 0.244 0.000 1.048 544 K CA 1.798 58.176 56.287 0.152 0.000 0.928 544 K CB -0.202 32.373 32.500 0.125 0.000 0.713 544 K HN 0.089 nan 8.250 nan 0.000 0.442 545 F N 1.110 121.145 119.950 0.141 0.000 2.146 545 F HA -0.020 4.460 4.527 -0.078 0.000 0.298 545 F C 2.031 177.983 175.800 0.253 0.000 1.096 545 F CA 1.133 59.255 58.000 0.204 0.000 1.275 545 F CB -0.537 38.598 39.000 0.226 0.000 1.008 545 F HN 0.096 nan 8.300 nan 0.000 0.480 546 A N 0.312 123.266 122.820 0.223 0.000 1.940 546 A HA -0.074 4.199 4.320 -0.078 0.000 0.219 546 A C 2.422 180.008 177.584 0.003 0.000 1.176 546 A CA 1.879 53.969 52.037 0.088 0.000 0.631 546 A CB -1.500 17.599 19.000 0.165 0.000 0.814 546 A HN 0.475 nan 8.150 nan 0.000 0.446 547 A N -1.086 121.767 122.820 0.055 0.000 1.832 547 A HA -0.104 4.169 4.320 -0.078 0.000 0.214 547 A C 2.143 179.738 177.584 0.018 0.000 1.200 547 A CA 1.629 53.688 52.037 0.037 0.000 0.610 547 A CB -1.165 17.875 19.000 0.067 0.000 0.842 547 A HN 0.850 nan 8.150 nan 0.000 0.444 548 Y N -0.053 120.213 120.300 -0.058 0.000 2.228 548 Y HA -0.219 4.284 4.550 -0.078 0.000 0.285 548 Y C 1.877 177.704 175.900 -0.122 0.000 1.178 548 Y CA 1.812 59.871 58.100 -0.069 0.000 1.202 548 Y CB -0.308 38.146 38.460 -0.011 0.000 0.974 548 Y HN 0.203 nan 8.280 nan 0.000 0.527 549 L N 0.693 121.836 121.223 -0.133 0.000 2.005 549 L HA -0.138 4.155 4.340 -0.078 0.000 0.207 549 L C 2.383 179.190 176.870 -0.105 0.000 1.072 549 L CA 2.251 56.977 54.840 -0.188 0.000 0.744 549 L CB -0.859 40.976 42.059 -0.373 0.000 0.895 549 L HN 0.348 nan 8.230 nan 0.000 0.433 550 E N -0.970 119.175 120.200 -0.092 0.000 2.502 550 E HA -0.121 4.182 4.350 -0.078 0.000 0.194 550 E C 1.926 178.480 176.600 -0.076 0.000 1.062 550 E CA 0.095 56.466 56.400 -0.047 0.000 0.867 550 E CB 0.221 29.910 29.700 -0.019 0.000 0.888 550 E HN 0.511 nan 8.360 nan 0.000 0.510 551 R N -0.877 119.535 120.500 -0.147 0.000 2.225 551 R HA 0.145 4.438 4.340 -0.078 0.000 0.194 551 R C 1.714 177.851 176.300 -0.271 0.000 0.957 551 R CA 0.380 56.382 56.100 -0.163 0.000 1.042 551 R CB 0.094 30.314 30.300 -0.133 0.000 1.004 551 R HN -0.112 nan 8.270 nan 0.000 0.509 552 E N -0.370 119.550 120.200 -0.467 0.000 2.476 552 E HA 0.227 4.530 4.350 -0.078 0.000 0.199 552 E C -0.957 175.117 176.600 -0.877 0.000 1.021 552 E CA 0.221 56.185 56.400 -0.727 0.000 0.907 552 E CB 0.333 29.351 29.700 -1.137 0.000 0.974 552 E HN 0.335 nan 8.360 nan 0.000 0.489 553 Y N -1.539 118.643 120.300 -0.196 0.000 2.958 553 Y HA 0.412 4.914 4.550 -0.078 0.000 0.315 553 Y C -0.517 175.333 175.900 -0.082 0.000 1.541 553 Y CA -1.289 56.746 58.100 -0.109 0.000 1.087 553 Y CB 0.443 38.846 38.460 -0.097 0.000 1.593 553 Y HN -0.444 nan 8.280 nan 0.000 0.446 554 K N 1.433 121.929 120.400 0.159 0.000 2.156 554 K HA 0.783 5.056 4.320 -0.078 0.000 0.271 554 K C -1.448 175.191 176.600 0.064 0.000 0.995 554 K CA -0.329 56.006 56.287 0.079 0.000 0.890 554 K CB 1.364 33.905 32.500 0.069 0.000 1.073 554 K HN 0.558 nan 8.250 nan 0.000 0.454 555 V N 2.413 122.359 119.914 0.053 0.000 3.242 555 V HA 0.322 4.395 4.120 -0.078 0.000 0.298 555 V C -1.759 174.399 176.094 0.107 0.000 1.352 555 V CA -0.833 61.491 62.300 0.040 0.000 1.052 555 V CB 2.364 34.174 31.823 -0.021 0.000 1.101 555 V HN 0.968 nan 8.190 nan 0.000 0.446 556 H N 2.885 121.930 119.070 -0.041 0.000 2.930 556 H HA 0.856 5.365 4.556 -0.078 0.000 0.371 556 H C -1.100 174.220 175.328 -0.012 0.000 1.169 556 H CA -0.423 55.609 56.048 -0.026 0.000 1.157 556 H CB 1.785 31.521 29.762 -0.042 0.000 1.789 556 H HN 0.665 nan 8.280 nan 0.000 0.547 557 I N 1.023 121.393 120.570 -0.333 0.000 3.006 557 I HA 0.456 4.579 4.170 -0.078 0.000 0.306 557 I C -1.248 174.794 176.117 -0.124 0.000 1.250 557 I CA -0.985 60.253 61.300 -0.103 0.000 0.996 557 I CB 1.881 39.907 38.000 0.043 0.000 1.261 557 I HN 0.772 nan 8.210 nan 0.000 0.442 558 N N 4.224 122.950 118.700 0.044 0.000 2.673 558 N HA 0.382 5.075 4.740 -0.078 0.000 0.265 558 N C -2.262 173.320 175.510 0.120 0.000 1.709 558 N CA -1.348 51.730 53.050 0.048 0.000 0.792 558 N CB 0.748 39.270 38.487 0.058 0.000 1.286 558 N HN 0.366 nan 8.380 nan 0.000 0.506 559 P HA -0.180 nan 4.420 nan 0.000 0.225 559 P C -0.260 177.003 177.300 -0.062 0.000 1.138 559 P CA 1.107 64.231 63.100 0.041 0.000 0.784 559 P CB 0.091 31.797 31.700 0.009 0.000 0.753 560 N N -1.085 117.627 118.700 0.020 0.000 2.254 560 N HA -0.020 4.673 4.740 -0.078 0.000 0.190 560 N C 0.509 176.069 175.510 0.083 0.000 1.107 560 N CA 0.023 53.088 53.050 0.025 0.000 0.869 560 N CB -0.083 38.426 38.487 0.036 0.000 0.983 560 N HN 0.190 nan 8.380 nan 0.000 0.487 561 S N 0.279 116.045 115.700 0.110 0.000 2.592 561 S HA 0.195 4.618 4.470 -0.078 0.000 0.271 561 S C 0.140 174.778 174.600 0.062 0.000 1.326 561 S CA -0.932 57.330 58.200 0.104 0.000 1.024 561 S CB 0.857 64.140 63.200 0.138 0.000 0.921 561 S HN 0.260 nan 8.310 nan 0.000 0.527 562 L N 2.604 123.704 121.223 -0.206 0.000 2.418 562 L HA 0.343 4.636 4.340 -0.078 0.000 0.274 562 L C -1.034 175.846 176.870 0.016 0.000 1.135 562 L CA -0.629 53.911 54.840 -0.501 0.000 0.870 562 L CB -0.189 41.219 42.059 -1.084 0.000 1.154 562 L HN 0.661 nan 8.230 nan 0.000 0.462 563 F N 3.847 123.680 119.950 -0.196 0.000 2.439 563 F HA 0.161 4.641 4.527 -0.078 0.000 0.356 563 F C 0.485 176.239 175.800 -0.077 0.000 1.161 563 F CA -0.840 57.111 58.000 -0.081 0.000 1.151 563 F CB 0.005 39.000 39.000 -0.008 0.000 1.222 563 F HN 0.429 nan 8.300 nan 0.000 0.558 564 D N 5.365 125.770 120.400 0.009 0.000 2.380 564 D HA 0.310 4.903 4.640 -0.078 0.000 0.230 564 D C -0.401 175.865 176.300 -0.057 0.000 1.154 564 D CA -0.003 53.972 54.000 -0.041 0.000 0.859 564 D CB 0.264 41.019 40.800 -0.074 0.000 1.045 564 D HN 0.341 nan 8.370 nan 0.000 0.495 565 I N 2.836 123.379 120.570 -0.045 0.000 2.433 565 I HA 0.261 4.384 4.170 -0.078 0.000 0.292 565 I C -0.057 175.959 176.117 -0.169 0.000 1.001 565 I CA -0.750 60.514 61.300 -0.060 0.000 1.119 565 I CB 2.174 40.231 38.000 0.095 0.000 1.289 565 I HN 0.203 nan 8.210 nan 0.000 0.438 566 Q N 6.684 126.384 119.800 -0.166 0.000 2.616 566 Q HA 0.468 4.761 4.340 -0.078 0.000 0.250 566 Q C -1.685 174.167 176.000 -0.246 0.000 0.991 566 Q CA -0.567 55.107 55.803 -0.214 0.000 0.707 566 Q CB 1.683 30.317 28.738 -0.174 0.000 1.247 566 Q HN 0.620 nan 8.270 nan 0.000 0.491 567 V N 1.391 121.143 119.914 -0.270 0.000 2.448 567 V HA 0.865 4.938 4.120 -0.078 0.000 0.295 567 V C -0.814 175.008 176.094 -0.453 0.000 1.025 567 V CA -0.515 61.424 62.300 -0.601 0.000 0.859 567 V CB 1.103 32.285 31.823 -1.068 0.000 0.988 567 V HN 0.785 nan 8.190 nan 0.000 0.431 568 K N 2.488 122.668 120.400 -0.366 0.000 3.040 568 K HA 0.423 4.696 4.320 -0.078 0.000 0.300 568 K C -1.226 175.388 176.600 0.024 0.000 1.092 568 K CA -1.206 55.060 56.287 -0.035 0.000 0.831 568 K CB 0.804 33.273 32.500 -0.052 0.000 1.469 568 K HN 0.417 nan 8.250 nan 0.000 0.365 569 R N 1.030 121.604 120.500 0.124 0.000 2.640 569 R HA 0.147 4.440 4.340 -0.078 0.000 0.270 569 R C 0.318 176.638 176.300 0.032 0.000 1.024 569 R CA -0.320 55.854 56.100 0.123 0.000 1.085 569 R CB -0.141 30.280 30.300 0.201 0.000 0.963 569 R HN 0.482 nan 8.270 nan 0.000 0.426 570 I N 4.911 125.459 120.570 -0.036 0.000 2.505 570 I HA 0.053 4.176 4.170 -0.078 0.000 0.287 570 I C 0.790 176.731 176.117 -0.293 0.000 1.104 570 I CA 0.723 61.939 61.300 -0.141 0.000 1.387 570 I CB -0.444 37.468 38.000 -0.147 0.000 1.404 570 I HN 0.257 nan 8.210 nan 0.000 0.528 571 H N 4.612 123.559 119.070 -0.206 0.000 2.930 571 H HA 0.255 4.764 4.556 -0.078 0.000 0.371 571 H C 0.455 175.624 175.328 -0.264 0.000 1.169 571 H CA -0.492 55.456 56.048 -0.167 0.000 1.157 571 H CB 2.152 31.702 29.762 -0.353 0.000 1.789 571 H HN 0.518 nan 8.280 nan 0.000 0.547 572 E N 1.248 121.462 120.200 0.023 0.000 2.150 572 E HA -0.174 4.129 4.350 -0.078 0.000 0.193 572 E C 1.352 177.677 176.600 -0.459 0.000 0.985 572 E CA 1.111 57.458 56.400 -0.088 0.000 0.814 572 E CB 0.103 29.922 29.700 0.199 0.000 0.752 572 E HN 0.544 nan 8.360 nan 0.000 0.466 573 Y N 0.865 120.601 120.300 -0.939 0.000 2.373 573 Y HA 0.036 4.540 4.550 -0.078 0.000 0.293 573 Y C 1.520 177.160 175.900 -0.432 0.000 1.129 573 Y CA 0.760 58.143 58.100 -1.196 0.000 1.226 573 Y CB -0.075 37.690 38.460 -1.158 0.000 1.000 573 Y HN -0.223 nan 8.280 nan 0.000 0.549 574 K N 0.670 120.589 120.400 -0.802 0.000 2.418 574 K HA 0.075 4.348 4.320 -0.078 0.000 0.195 574 K C 0.067 176.495 176.600 -0.286 0.000 1.035 574 K CA 0.525 56.477 56.287 -0.559 0.000 1.003 574 K CB -0.026 32.131 32.500 -0.570 0.000 0.793 574 K HN 0.240 nan 8.250 nan 0.000 0.494 575 R N 0.468 120.823 120.500 -0.243 0.000 3.336 575 R HA -0.213 4.080 4.340 -0.078 0.000 0.260 575 R C 0.374 176.586 176.300 -0.146 0.000 1.032 575 R CA 0.105 56.114 56.100 -0.152 0.000 0.693 575 R CB -1.889 28.341 30.300 -0.116 0.000 1.134 575 R HN 0.229 nan 8.270 nan 0.000 0.433 576 Q N 0.288 119.997 119.800 -0.151 0.000 2.170 576 Q HA -0.056 4.237 4.340 -0.078 0.000 0.203 576 Q C 1.854 177.789 176.000 -0.108 0.000 0.976 576 Q CA 1.557 57.283 55.803 -0.128 0.000 0.858 576 Q CB 0.034 28.698 28.738 -0.125 0.000 0.907 576 Q HN 0.605 nan 8.270 nan 0.000 0.433 577 L N -0.527 120.633 121.223 -0.106 0.000 2.083 577 L HA -0.186 4.107 4.340 -0.078 0.000 0.209 577 L C 2.041 178.900 176.870 -0.019 0.000 1.083 577 L CA 0.544 55.336 54.840 -0.080 0.000 0.752 577 L CB -0.431 41.588 42.059 -0.066 0.000 0.899 577 L HN 0.299 nan 8.230 nan 0.000 0.433 578 L N 0.077 121.283 121.223 -0.030 0.000 2.046 578 L HA -0.238 4.055 4.340 -0.078 0.000 0.208 578 L C 2.048 178.948 176.870 0.050 0.000 1.077 578 L CA 1.909 56.743 54.840 -0.011 0.000 0.747 578 L CB -0.874 41.073 42.059 -0.187 0.000 0.896 578 L HN 0.299 nan 8.230 nan 0.000 0.432 579 N N -1.634 117.064 118.700 -0.004 0.000 2.120 579 N HA -0.226 4.467 4.740 -0.078 0.000 0.188 579 N C 1.898 177.483 175.510 0.126 0.000 1.024 579 N CA 1.552 54.686 53.050 0.140 0.000 0.852 579 N CB -0.120 38.383 38.487 0.026 0.000 1.003 579 N HN 0.503 nan 8.380 nan 0.000 0.424 580 C N 0.592 119.897 119.300 0.008 0.000 2.429 580 C HA -0.041 4.372 4.460 -0.078 0.000 0.277 580 C C 2.605 177.582 174.990 -0.022 0.000 1.262 580 C CA 0.276 59.249 59.018 -0.075 0.000 1.733 580 C CB -1.226 26.411 27.740 -0.171 0.000 2.010 580 C HN 0.510 nan 8.230 nan 0.000 0.483 581 L N -0.203 121.076 121.223 0.093 0.000 2.083 581 L HA -0.205 4.088 4.340 -0.078 0.000 0.209 581 L C 2.745 179.766 176.870 0.253 0.000 1.083 581 L CA 1.824 56.779 54.840 0.191 0.000 0.752 581 L CB -1.039 41.216 42.059 0.327 0.000 0.899 581 L HN 0.604 nan 8.230 nan 0.000 0.433 582 H N -0.096 119.074 119.070 0.167 0.000 2.321 582 H HA -0.139 4.370 4.556 -0.078 0.000 0.300 582 H C 2.256 177.568 175.328 -0.026 0.000 1.087 582 H CA 1.882 57.946 56.048 0.026 0.000 1.319 582 H CB 0.289 30.012 29.762 -0.065 0.000 1.379 582 H HN 0.078 nan 8.280 nan 0.000 0.501 583 V N 1.751 121.525 119.914 -0.233 0.000 2.252 583 V HA -0.311 3.762 4.120 -0.078 0.000 0.249 583 V C 2.857 178.840 176.094 -0.186 0.000 1.056 583 V CA 2.134 64.256 62.300 -0.297 0.000 1.022 583 V CB -0.572 31.136 31.823 -0.191 0.000 0.641 583 V HN 0.412 nan 8.190 nan 0.000 0.445 584 I N -0.283 120.230 120.570 -0.095 0.000 2.226 584 I HA -0.230 3.893 4.170 -0.078 0.000 0.245 584 I C 2.528 178.708 176.117 0.105 0.000 1.100 584 I CA 1.836 63.166 61.300 0.050 0.000 1.374 584 I CB -0.793 37.242 38.000 0.058 0.000 1.057 584 I HN 0.329 nan 8.210 nan 0.000 0.413 585 T N 1.335 115.914 114.554 0.042 0.000 2.720 585 T HA -0.190 4.113 4.350 -0.078 0.000 0.268 585 T C 1.870 176.537 174.700 -0.055 0.000 1.037 585 T CA 1.338 63.464 62.100 0.043 0.000 1.144 585 T CB -0.318 68.614 68.868 0.107 0.000 0.864 585 T HN 0.150 nan 8.240 nan 0.000 0.444 586 L N 0.289 121.403 121.223 -0.182 0.000 2.056 586 L HA 0.016 4.309 4.340 -0.078 0.000 0.207 586 L C 2.091 178.829 176.870 -0.219 0.000 1.078 586 L CA 1.562 56.249 54.840 -0.255 0.000 0.749 586 L CB -0.973 40.840 42.059 -0.409 0.000 0.901 586 L HN 0.314 nan 8.230 nan 0.000 0.433 587 Y N 0.671 120.842 120.300 -0.216 0.000 2.097 587 Y HA -0.309 4.194 4.550 -0.078 0.000 0.282 587 Y C 2.297 178.112 175.900 -0.142 0.000 1.152 587 Y CA 2.395 60.406 58.100 -0.149 0.000 1.136 587 Y CB -0.649 37.806 38.460 -0.008 0.000 0.975 587 Y HN 0.408 nan 8.280 nan 0.000 0.498 588 N N -0.457 118.181 118.700 -0.103 0.000 2.166 588 N HA -0.188 4.505 4.740 -0.078 0.000 0.186 588 N C 1.891 177.261 175.510 -0.233 0.000 1.019 588 N CA 1.099 54.030 53.050 -0.198 0.000 0.856 588 N CB -0.213 38.246 38.487 -0.047 0.000 0.993 588 N HN 0.256 nan 8.380 nan 0.000 0.426 589 R N 0.783 121.157 120.500 -0.211 0.000 2.081 589 R HA 0.047 4.340 4.340 -0.078 0.000 0.235 589 R C 2.029 178.126 176.300 -0.338 0.000 1.131 589 R CA 0.913 56.903 56.100 -0.184 0.000 0.960 589 R CB -0.133 30.097 30.300 -0.116 0.000 0.856 589 R HN 0.253 nan 8.270 nan 0.000 0.436 590 I N 0.310 120.467 120.570 -0.687 0.000 2.315 590 I HA -0.274 3.849 4.170 -0.078 0.000 0.248 590 I C 2.064 177.957 176.117 -0.373 0.000 1.117 590 I CA 1.296 62.074 61.300 -0.871 0.000 1.404 590 I CB -0.168 37.328 38.000 -0.840 0.000 1.071 590 I HN 0.133 nan 8.210 nan 0.000 0.419 591 K N 0.282 120.448 120.400 -0.391 0.000 2.103 591 K HA -0.128 4.145 4.320 -0.078 0.000 0.204 591 K C 2.319 178.821 176.600 -0.162 0.000 1.052 591 K CA 0.875 56.984 56.287 -0.296 0.000 0.945 591 K CB -0.062 32.187 32.500 -0.418 0.000 0.722 591 K HN 0.181 nan 8.250 nan 0.000 0.443 592 R N 1.313 121.729 120.500 -0.140 0.000 2.070 592 R HA -0.106 4.186 4.340 -0.078 0.000 0.233 592 R C 0.084 176.381 176.300 -0.005 0.000 1.137 592 R CA 1.392 57.453 56.100 -0.064 0.000 0.945 592 R CB 0.171 30.444 30.300 -0.045 0.000 0.845 592 R HN 0.197 nan 8.270 nan 0.000 0.430 593 E N 0.627 120.864 120.200 0.061 0.000 2.751 593 E HA 0.139 4.442 4.350 -0.078 0.000 0.219 593 E C -2.012 174.692 176.600 0.172 0.000 1.060 593 E CA -1.544 54.925 56.400 0.113 0.000 0.893 593 E CB 1.500 31.290 29.700 0.149 0.000 1.300 593 E HN 0.307 nan 8.360 nan 0.000 0.433 594 P HA -0.164 nan 4.420 nan 0.000 0.222 594 P C 0.241 177.600 177.300 0.099 0.000 1.147 594 P CA 0.917 64.067 63.100 0.083 0.000 0.790 594 P CB 0.372 32.087 31.700 0.025 0.000 0.780 595 N N 0.180 118.924 118.700 0.074 0.000 2.376 595 N HA 0.084 4.777 4.740 -0.078 0.000 0.249 595 N C 0.176 175.702 175.510 0.026 0.000 1.140 595 N CA 0.106 53.187 53.050 0.050 0.000 0.870 595 N CB 0.483 38.988 38.487 0.029 0.000 1.124 595 N HN 0.318 nan 8.380 nan 0.000 0.505 596 K N 0.310 120.718 120.400 0.012 0.000 2.318 596 K HA 0.256 4.529 4.320 -0.078 0.000 0.249 596 K C -1.131 175.298 176.600 -0.286 0.000 0.942 596 K CA -0.618 55.567 56.287 -0.171 0.000 0.808 596 K CB 1.578 33.883 32.500 -0.324 0.000 1.189 596 K HN -0.195 nan 8.250 nan 0.000 0.428 597 F N 3.689 123.397 119.950 -0.404 0.000 2.427 597 F HA 0.395 4.874 4.527 -0.078 0.000 0.352 597 F C -1.329 174.148 175.800 -0.538 0.000 1.100 597 F CA -0.090 57.726 58.000 -0.306 0.000 1.191 597 F CB 0.343 39.242 39.000 -0.168 0.000 1.128 597 F HN 0.344 nan 8.300 nan 0.000 0.533 598 F N 5.325 124.708 119.950 -0.946 0.000 2.507 598 F HA 0.379 4.859 4.527 -0.078 0.000 0.328 598 F C -0.504 174.770 175.800 -0.876 0.000 1.136 598 F CA -1.169 56.433 58.000 -0.663 0.000 0.930 598 F CB 1.481 40.263 39.000 -0.362 0.000 1.166 598 F HN 0.065 nan 8.300 nan 0.000 0.436 599 V N 6.388 126.105 119.914 -0.328 0.000 2.475 599 V HA 0.026 4.099 4.120 -0.078 0.000 0.292 599 V C -1.640 174.377 176.094 -0.129 0.000 1.003 599 V CA -1.089 61.122 62.300 -0.147 0.000 1.120 599 V CB -0.284 31.554 31.823 0.025 0.000 0.937 599 V HN 0.453 nan 8.190 nan 0.000 0.476 600 P HA 0.130 nan 4.420 nan 0.000 0.264 600 P C -0.447 176.801 177.300 -0.086 0.000 1.193 600 P CA 0.072 63.133 63.100 -0.065 0.000 0.763 600 P CB 0.696 32.398 31.700 0.002 0.000 0.810 601 R N 1.679 122.126 120.500 -0.088 0.000 2.673 601 R HA 0.471 4.763 4.340 -0.078 0.000 0.281 601 R C -1.009 175.245 176.300 -0.077 0.000 0.991 601 R CA -0.503 55.534 56.100 -0.106 0.000 0.896 601 R CB 1.785 32.001 30.300 -0.140 0.000 1.201 601 R HN 0.315 nan 8.270 nan 0.000 0.457 602 T N 3.259 117.770 114.554 -0.072 0.000 2.842 602 T HA 0.246 4.549 4.350 -0.078 0.000 0.308 602 T C -0.629 173.964 174.700 -0.179 0.000 1.041 602 T CA -0.426 61.584 62.100 -0.149 0.000 0.964 602 T CB 1.132 69.816 68.868 -0.306 0.000 0.972 602 T HN 0.200 nan 8.240 nan 0.000 0.460 603 V N 5.903 125.730 119.914 -0.144 0.000 2.368 603 V HA 0.377 4.450 4.120 -0.078 0.000 0.266 603 V C 0.134 176.149 176.094 -0.133 0.000 1.045 603 V CA -0.326 61.899 62.300 -0.125 0.000 0.899 603 V CB 0.466 32.227 31.823 -0.104 0.000 1.006 603 V HN 0.849 nan 8.190 nan 0.000 0.470 604 M N 6.579 126.095 119.600 -0.139 0.000 2.205 604 M HA 0.603 5.036 4.480 -0.078 0.000 0.344 604 M C -0.893 175.323 176.300 -0.141 0.000 1.085 604 M CA -0.168 55.050 55.300 -0.137 0.000 1.001 604 M CB 1.926 34.447 32.600 -0.132 0.000 1.626 604 M HN 0.410 nan 8.290 nan 0.000 0.442 605 I N 2.035 122.515 120.570 -0.151 0.000 2.466 605 I HA 0.744 4.867 4.170 -0.078 0.000 0.289 605 I C -0.002 175.892 176.117 -0.371 0.000 1.026 605 I CA -0.579 60.623 61.300 -0.164 0.000 1.078 605 I CB 2.202 40.182 38.000 -0.034 0.000 1.249 605 I HN 0.805 nan 8.210 nan 0.000 0.429 606 G N 3.217 111.748 108.800 -0.448 0.000 2.659 606 G HA2 0.839 4.752 3.960 -0.078 0.000 0.296 606 G HA3 0.839 4.752 3.960 -0.078 0.000 0.296 606 G C -0.984 173.666 174.900 -0.415 0.000 1.369 606 G CA -0.805 43.885 45.100 -0.684 0.000 0.937 606 G HN 0.954 nan 8.290 nan 0.000 0.485 607 G N -0.228 108.454 108.800 -0.197 0.000 2.358 607 G HA2 0.435 4.348 3.960 -0.078 0.000 0.303 607 G HA3 0.435 4.348 3.960 -0.078 0.000 0.303 607 G C -1.348 173.678 174.900 0.210 0.000 1.537 607 G CA -1.005 44.133 45.100 0.062 0.000 0.928 607 G HN 0.619 nan 8.290 nan 0.000 0.656 608 K N -0.380 120.133 120.400 0.189 0.000 2.123 608 K HA 0.796 5.069 4.320 -0.078 0.000 0.248 608 K C 0.042 176.747 176.600 0.175 0.000 0.969 608 K CA -0.314 56.095 56.287 0.204 0.000 0.882 608 K CB 2.111 34.627 32.500 0.026 0.000 1.080 608 K HN 0.881 nan 8.250 nan 0.000 0.441 609 A N 1.100 124.073 122.820 0.254 0.000 2.342 609 A HA 0.680 4.953 4.320 -0.078 0.000 0.323 609 A C -0.682 177.064 177.584 0.272 0.000 1.125 609 A CA -0.770 51.351 52.037 0.140 0.000 0.785 609 A CB 1.272 20.284 19.000 0.019 0.000 1.221 609 A HN 0.756 nan 8.150 nan 0.000 0.463 610 A N 3.301 126.257 122.820 0.227 0.000 2.498 610 A HA 0.494 4.767 4.320 -0.078 0.000 0.239 610 A C -1.450 176.226 177.584 0.154 0.000 1.068 610 A CA -0.777 51.402 52.037 0.238 0.000 0.766 610 A CB -0.369 18.731 19.000 0.167 0.000 1.003 610 A HN 0.589 nan 8.150 nan 0.000 0.497 611 P HA -0.158 nan 4.420 nan 0.000 0.216 611 P C 1.459 178.766 177.300 0.012 0.000 1.154 611 P CA 2.104 65.177 63.100 -0.044 0.000 0.865 611 P CB 0.139 31.772 31.700 -0.112 0.000 0.789 612 G N -2.892 105.928 108.800 0.033 0.000 2.920 612 G HA2 -0.159 3.754 3.960 -0.078 0.000 0.208 612 G HA3 -0.159 3.754 3.960 -0.078 0.000 0.208 612 G C 0.018 174.960 174.900 0.069 0.000 1.159 612 G CA -0.050 45.069 45.100 0.031 0.000 0.784 612 G HN 0.194 nan 8.290 nan 0.000 0.535 613 Y N 2.039 122.289 120.300 -0.083 0.000 2.632 613 Y HA 0.252 4.755 4.550 -0.078 0.000 0.336 613 Y C 1.428 177.325 175.900 -0.004 0.000 1.237 613 Y CA -1.938 56.099 58.100 -0.105 0.000 1.595 613 Y CB -0.523 37.839 38.460 -0.163 0.000 1.508 613 Y HN 0.357 nan 8.280 nan 0.000 0.480 614 H N 3.371 122.555 119.070 0.191 0.000 2.289 614 H HA -0.260 4.249 4.556 -0.079 0.000 0.296 614 H C 2.014 177.370 175.328 0.047 0.000 1.091 614 H CA 2.893 59.002 56.048 0.101 0.000 1.274 614 H CB 0.151 29.972 29.762 0.098 0.000 1.364 614 H HN 0.586 nan 8.280 nan 0.000 0.490 615 M N 0.347 119.902 119.600 -0.075 0.000 2.108 615 M HA -0.075 4.358 4.480 -0.078 0.000 0.261 615 M C 2.389 178.427 176.300 -0.437 0.000 1.066 615 M CA 2.000 57.156 55.300 -0.240 0.000 1.107 615 M CB -0.849 31.750 32.600 -0.002 0.000 1.356 615 M HN 0.380 nan 8.290 nan 0.000 0.406 616 A N -0.359 121.983 122.820 -0.798 0.000 1.933 616 A HA -0.185 4.088 4.320 -0.078 0.000 0.218 616 A C 2.194 179.556 177.584 -0.369 0.000 1.175 616 A CA 1.844 53.437 52.037 -0.741 0.000 0.628 616 A CB -0.652 17.699 19.000 -1.081 0.000 0.814 616 A HN 0.602 nan 8.150 nan 0.000 0.444 617 K N -1.068 119.182 120.400 -0.251 0.000 2.097 617 K HA -0.065 4.207 4.320 -0.078 0.000 0.205 617 K C 1.963 178.501 176.600 -0.102 0.000 1.050 617 K CA 1.320 57.553 56.287 -0.090 0.000 0.938 617 K CB -0.251 32.283 32.500 0.057 0.000 0.718 617 K HN 0.350 nan 8.250 nan 0.000 0.442 618 M N 0.643 120.142 119.600 -0.167 0.000 2.159 618 M HA -0.109 4.324 4.480 -0.078 0.000 0.263 618 M C 2.145 178.322 176.300 -0.205 0.000 1.063 618 M CA 1.447 56.671 55.300 -0.125 0.000 1.110 618 M CB -0.728 31.774 32.600 -0.162 0.000 1.374 618 M HN 0.140 nan 8.290 nan 0.000 0.411 619 I N -0.260 120.153 120.570 -0.261 0.000 2.252 619 I HA -0.289 3.834 4.170 -0.078 0.000 0.245 619 I C 2.325 178.241 176.117 -0.334 0.000 1.102 619 I CA 1.041 62.166 61.300 -0.292 0.000 1.385 619 I CB -0.314 37.529 38.000 -0.263 0.000 1.064 619 I HN 0.168 nan 8.210 nan 0.000 0.414 620 I N 0.456 120.813 120.570 -0.354 0.000 2.208 620 I HA -0.313 3.810 4.170 -0.078 0.000 0.245 620 I C 2.725 178.455 176.117 -0.644 0.000 1.097 620 I CA 1.210 62.161 61.300 -0.582 0.000 1.363 620 I CB -0.324 37.331 38.000 -0.574 0.000 1.051 620 I HN 0.185 nan 8.210 nan 0.000 0.413 621 R N 1.266 121.451 120.500 -0.526 0.000 2.120 621 R HA -0.118 4.175 4.340 -0.078 0.000 0.234 621 R C 2.103 178.180 176.300 -0.372 0.000 1.123 621 R CA 1.366 57.106 56.100 -0.599 0.000 0.975 621 R CB -0.658 29.090 30.300 -0.920 0.000 0.866 621 R HN 0.358 nan 8.270 nan 0.000 0.446 622 L N -0.432 120.536 121.223 -0.424 0.000 2.056 622 L HA -0.128 4.165 4.340 -0.078 0.000 0.207 622 L C 1.812 178.398 176.870 -0.473 0.000 1.078 622 L CA 1.307 55.750 54.840 -0.661 0.000 0.749 622 L CB -0.278 41.293 42.059 -0.813 0.000 0.901 622 L HN 0.104 nan 8.230 nan 0.000 0.433 623 V N 0.234 119.917 119.914 -0.384 0.000 2.287 623 V HA -0.329 3.744 4.120 -0.078 0.000 0.248 623 V C 2.767 178.730 176.094 -0.219 0.000 1.053 623 V CA 2.426 64.570 62.300 -0.260 0.000 1.027 623 V CB -1.245 30.516 31.823 -0.103 0.000 0.646 623 V HN 0.683 nan 8.190 nan 0.000 0.447 624 T N -1.007 113.392 114.554 -0.259 0.000 2.821 624 T HA -0.087 4.216 4.350 -0.078 0.000 0.267 624 T C 1.964 176.578 174.700 -0.143 0.000 1.046 624 T CA 1.350 63.343 62.100 -0.178 0.000 1.139 624 T CB -0.520 68.213 68.868 -0.225 0.000 0.871 624 T HN 0.476 nan 8.240 nan 0.000 0.454 625 A N 1.680 124.410 122.820 -0.150 0.000 1.908 625 A HA 0.076 4.349 4.320 -0.078 0.000 0.218 625 A C 2.408 179.972 177.584 -0.034 0.000 1.181 625 A CA 1.426 53.445 52.037 -0.030 0.000 0.627 625 A CB -0.890 18.221 19.000 0.185 0.000 0.818 625 A HN 0.592 nan 8.150 nan 0.000 0.445 626 I N -0.477 119.949 120.570 -0.241 0.000 2.179 626 I HA -0.193 3.930 4.170 -0.078 0.000 0.242 626 I C 2.737 178.758 176.117 -0.161 0.000 1.088 626 I CA 1.091 62.167 61.300 -0.373 0.000 1.357 626 I CB -0.737 36.917 38.000 -0.575 0.000 1.051 626 I HN 0.406 nan 8.210 nan 0.000 0.409 627 G N 0.728 109.447 108.800 -0.134 0.000 2.446 627 G HA2 -0.271 3.642 3.960 -0.078 0.000 0.217 627 G HA3 -0.271 3.642 3.960 -0.078 0.000 0.217 627 G C 1.227 176.124 174.900 -0.004 0.000 1.168 627 G CA 1.062 46.116 45.100 -0.076 0.000 0.771 627 G HN 0.294 nan 8.290 nan 0.000 0.551 628 D N 0.045 120.458 120.400 0.022 0.000 2.190 628 D HA -0.099 4.494 4.640 -0.078 0.000 0.200 628 D C 2.646 179.010 176.300 0.106 0.000 0.992 628 D CA 0.789 54.840 54.000 0.085 0.000 0.854 628 D CB -0.249 40.546 40.800 -0.009 0.000 0.936 628 D HN 0.267 nan 8.370 nan 0.000 0.462 629 V N 0.132 120.056 119.914 0.017 0.000 2.300 629 V HA -0.137 3.936 4.120 -0.078 0.000 0.241 629 V C 2.609 178.678 176.094 -0.040 0.000 1.034 629 V CA 0.715 62.978 62.300 -0.062 0.000 1.021 629 V CB -0.305 31.408 31.823 -0.183 0.000 0.662 629 V HN 0.022 nan 8.190 nan 0.000 0.458 630 V N 1.083 120.922 119.914 -0.125 0.000 2.261 630 V HA -0.242 3.831 4.120 -0.078 0.000 0.246 630 V C 2.171 178.257 176.094 -0.013 0.000 1.047 630 V CA 2.189 64.434 62.300 -0.093 0.000 1.015 630 V CB -0.963 30.773 31.823 -0.145 0.000 0.642 630 V HN 0.588 nan 8.190 nan 0.000 0.446 631 N N -0.195 118.452 118.700 -0.088 0.000 2.585 631 N HA -0.132 4.561 4.740 -0.078 0.000 0.188 631 N C 1.038 176.267 175.510 -0.468 0.000 1.102 631 N CA 1.053 53.950 53.050 -0.255 0.000 0.920 631 N CB -0.348 37.939 38.487 -0.333 0.000 0.963 631 N HN 0.701 nan 8.380 nan 0.000 0.447 632 H N -1.594 117.464 119.070 -0.021 0.000 2.662 632 H HA 0.211 4.720 4.556 -0.078 0.000 0.268 632 H C -0.665 174.670 175.328 0.011 0.000 1.152 632 H CA -0.522 55.513 56.048 -0.021 0.000 1.072 632 H CB 0.589 30.329 29.762 -0.037 0.000 1.660 632 H HN -0.018 nan 8.280 nan 0.000 0.584 633 D N 2.387 122.857 120.400 0.117 0.000 2.380 633 D HA 0.043 4.636 4.640 -0.078 0.000 0.230 633 D C -1.420 174.925 176.300 0.075 0.000 1.154 633 D CA -2.082 52.001 54.000 0.137 0.000 0.859 633 D CB 1.756 42.718 40.800 0.270 0.000 1.045 633 D HN 0.154 nan 8.370 nan 0.000 0.495 634 P HA -0.155 nan 4.420 nan 0.000 0.218 634 P C 1.026 178.336 177.300 0.017 0.000 1.148 634 P CA 0.720 63.837 63.100 0.029 0.000 0.822 634 P CB 0.296 32.012 31.700 0.028 0.000 0.784 635 A N -0.327 122.500 122.820 0.011 0.000 2.067 635 A HA -0.028 4.245 4.320 -0.078 0.000 0.219 635 A C 2.331 179.893 177.584 -0.037 0.000 1.158 635 A CA 1.239 53.266 52.037 -0.017 0.000 0.661 635 A CB -1.233 17.741 19.000 -0.042 0.000 0.801 635 A HN 0.122 nan 8.150 nan 0.000 0.452 636 V N -1.173 118.729 119.914 -0.021 0.000 2.725 636 V HA 0.243 4.316 4.120 -0.078 0.000 0.247 636 V C 1.883 177.966 176.094 -0.018 0.000 1.058 636 V CA 0.869 63.147 62.300 -0.036 0.000 1.080 636 V CB -1.413 30.431 31.823 0.035 0.000 0.713 636 V HN 0.954 nan 8.190 nan 0.000 0.465 637 G N 2.000 110.800 108.800 0.001 0.000 2.574 637 G HA2 -0.354 3.559 3.960 -0.078 0.000 0.282 637 G HA3 -0.354 3.559 3.960 -0.078 0.000 0.282 637 G C 0.004 174.907 174.900 0.005 0.000 1.257 637 G CA 0.448 45.552 45.100 0.006 0.000 0.956 637 G HN 0.718 nan 8.290 nan 0.000 0.560 638 D N -0.446 119.968 120.400 0.022 0.000 2.706 638 D HA 0.411 5.004 4.640 -0.078 0.000 0.236 638 D C 1.501 177.808 176.300 0.011 0.000 1.231 638 D CA -0.160 53.860 54.000 0.033 0.000 0.828 638 D CB 0.250 41.097 40.800 0.077 0.000 1.015 638 D HN 0.557 nan 8.370 nan 0.000 0.484 639 R N -0.556 119.932 120.500 -0.019 0.000 2.300 639 R HA 0.337 4.630 4.340 -0.078 0.000 0.199 639 R C -0.308 175.947 176.300 -0.075 0.000 0.920 639 R CA -0.029 56.040 56.100 -0.052 0.000 1.046 639 R CB 0.409 30.666 30.300 -0.072 0.000 0.984 639 R HN 0.167 nan 8.270 nan 0.000 0.493 640 L N 0.245 121.434 121.223 -0.057 0.000 2.676 640 L HA 0.389 4.682 4.340 -0.078 0.000 0.262 640 L C -1.798 175.042 176.870 -0.050 0.000 0.932 640 L CA -0.486 54.314 54.840 -0.067 0.000 0.932 640 L CB 1.708 43.721 42.059 -0.077 0.000 1.355 640 L HN -0.173 nan 8.230 nan 0.000 0.421 641 R N 3.754 124.214 120.500 -0.066 0.000 2.575 641 R HA 0.793 5.086 4.340 -0.078 0.000 0.293 641 R C -1.665 174.577 176.300 -0.097 0.000 0.983 641 R CA -0.727 55.329 56.100 -0.073 0.000 0.887 641 R CB 2.419 32.687 30.300 -0.053 0.000 1.184 641 R HN 0.422 nan 8.270 nan 0.000 0.445 642 V N 5.159 125.014 119.914 -0.098 0.000 2.409 642 V HA 0.523 4.596 4.120 -0.078 0.000 0.291 642 V C -0.044 176.001 176.094 -0.081 0.000 1.020 642 V CA -0.732 61.506 62.300 -0.104 0.000 0.848 642 V CB 1.879 33.628 31.823 -0.124 0.000 0.990 642 V HN 0.486 nan 8.190 nan 0.000 0.430 643 I N 4.515 125.039 120.570 -0.076 0.000 2.608 643 I HA 0.448 4.571 4.170 -0.078 0.000 0.295 643 I C -0.830 175.278 176.117 -0.015 0.000 1.049 643 I CA -0.715 60.555 61.300 -0.049 0.000 1.063 643 I CB 2.034 39.985 38.000 -0.083 0.000 1.248 643 I HN 0.595 nan 8.210 nan 0.000 0.424 644 F N 6.441 126.324 119.950 -0.111 0.000 2.361 644 F HA 0.468 4.948 4.527 -0.079 0.000 0.364 644 F C -0.344 175.398 175.800 -0.098 0.000 1.120 644 F CA -0.633 57.303 58.000 -0.108 0.000 1.102 644 F CB 0.717 39.650 39.000 -0.111 0.000 1.183 644 F HN 0.231 nan 8.300 nan 0.000 0.476 645 L N 6.135 126.956 121.223 -0.670 0.000 2.407 645 L HA 0.158 4.451 4.340 -0.078 0.000 0.282 645 L C 0.616 177.145 176.870 -0.568 0.000 1.110 645 L CA -0.016 54.548 54.840 -0.460 0.000 0.863 645 L CB 0.204 42.119 42.059 -0.241 0.000 1.207 645 L HN 0.634 nan 8.230 nan 0.000 0.454 646 E N 4.092 124.080 120.200 -0.354 0.000 2.413 646 E HA -0.115 4.188 4.350 -0.078 0.000 0.263 646 E C 0.433 177.019 176.600 -0.023 0.000 1.015 646 E CA -0.252 56.064 56.400 -0.139 0.000 0.916 646 E CB 0.389 30.000 29.700 -0.148 0.000 0.947 646 E HN 0.568 nan 8.360 nan 0.000 0.440 647 N N 2.770 121.537 118.700 0.110 0.000 2.714 647 N HA -0.287 4.406 4.740 -0.078 0.000 0.253 647 N C -1.503 174.095 175.510 0.146 0.000 1.024 647 N CA 0.555 53.696 53.050 0.152 0.000 0.726 647 N CB -1.514 37.087 38.487 0.190 0.000 0.908 647 N HN 0.462 nan 8.380 nan 0.000 0.542 648 Y N 1.611 121.908 120.300 -0.006 0.000 2.721 648 Y HA 0.159 4.662 4.550 -0.079 0.000 0.329 648 Y C 1.105 177.032 175.900 0.045 0.000 1.211 648 Y CA 0.512 58.611 58.100 -0.002 0.000 1.512 648 Y CB 0.289 38.721 38.460 -0.048 0.000 1.249 648 Y HN 0.399 nan 8.280 nan 0.000 0.549 649 R N 2.663 122.874 120.500 -0.482 0.000 2.766 649 R HA 0.472 4.765 4.340 -0.078 0.000 0.270 649 R C -0.354 175.639 176.300 -0.511 0.000 1.035 649 R CA -0.571 55.296 56.100 -0.387 0.000 0.911 649 R CB 0.389 30.642 30.300 -0.079 0.000 1.243 649 R HN 0.361 nan 8.270 nan 0.000 0.460 650 V N 1.066 120.695 119.914 -0.475 0.000 2.278 650 V HA -0.310 3.763 4.120 -0.078 0.000 0.251 650 V C 2.524 178.507 176.094 -0.185 0.000 1.062 650 V CA 2.884 64.975 62.300 -0.348 0.000 1.038 650 V CB -0.879 30.703 31.823 -0.403 0.000 0.646 650 V HN 0.928 nan 8.190 nan 0.000 0.447 651 S N -0.198 115.409 115.700 -0.156 0.000 2.423 651 S HA -0.127 4.296 4.470 -0.078 0.000 0.231 651 S C 1.863 176.413 174.600 -0.084 0.000 1.014 651 S CA 1.501 59.633 58.200 -0.114 0.000 0.965 651 S CB -0.408 62.754 63.200 -0.064 0.000 0.785 651 S HN 0.412 nan 8.310 nan 0.000 0.495 652 L N 1.829 123.015 121.223 -0.063 0.000 2.131 652 L HA 0.367 4.660 4.340 -0.078 0.000 0.206 652 L C 2.659 179.550 176.870 0.035 0.000 1.087 652 L CA 1.355 56.205 54.840 0.017 0.000 0.767 652 L CB -1.190 40.941 42.059 0.120 0.000 0.917 652 L HN 0.311 nan 8.230 nan 0.000 0.441 653 A N -0.590 122.222 122.820 -0.013 0.000 1.908 653 A HA -0.263 4.010 4.320 -0.078 0.000 0.218 653 A C 2.138 179.802 177.584 0.134 0.000 1.181 653 A CA 1.972 54.086 52.037 0.129 0.000 0.627 653 A CB -0.702 18.350 19.000 0.088 0.000 0.818 653 A HN 0.596 nan 8.150 nan 0.000 0.445 654 E N -0.599 119.661 120.200 0.100 0.000 2.333 654 E HA -0.171 4.132 4.350 -0.078 0.000 0.198 654 E C 1.776 178.341 176.600 -0.059 0.000 1.007 654 E CA 1.196 57.597 56.400 0.002 0.000 0.845 654 E CB -0.042 29.549 29.700 -0.181 0.000 0.766 654 E HN 0.650 nan 8.360 nan 0.000 0.507 655 K N -0.297 120.052 120.400 -0.085 0.000 2.262 655 K HA 0.055 4.328 4.320 -0.078 0.000 0.200 655 K C 2.052 178.504 176.600 -0.247 0.000 1.058 655 K CA 0.251 56.472 56.287 -0.111 0.000 0.974 655 K CB 0.224 32.631 32.500 -0.155 0.000 0.910 655 K HN -0.062 nan 8.250 nan 0.000 0.484 656 V N 1.885 121.565 119.914 -0.390 0.000 2.535 656 V HA -0.091 3.982 4.120 -0.078 0.000 0.246 656 V C 1.870 177.669 176.094 -0.493 0.000 1.045 656 V CA 1.123 62.908 62.300 -0.859 0.000 1.058 656 V CB -0.123 31.312 31.823 -0.646 0.000 0.689 656 V HN 0.221 nan 8.190 nan 0.000 0.461 657 I N 0.729 121.077 120.570 -0.371 0.000 2.208 657 I HA -0.138 3.985 4.170 -0.078 0.000 0.245 657 I C -0.336 175.592 176.117 -0.316 0.000 1.097 657 I CA 1.642 62.619 61.300 -0.539 0.000 1.363 657 I CB -1.388 36.214 38.000 -0.664 0.000 1.051 657 I HN 0.378 nan 8.210 nan 0.000 0.413 658 P HA -0.077 nan 4.420 nan 0.000 0.226 658 P C 0.899 178.158 177.300 -0.069 0.000 1.153 658 P CA 1.052 64.095 63.100 -0.095 0.000 0.777 658 P CB 0.085 31.749 31.700 -0.060 0.000 0.794 659 A N -1.236 121.518 122.820 -0.110 0.000 2.275 659 A HA 0.503 4.776 4.320 -0.078 0.000 0.212 659 A C 1.099 178.729 177.584 0.077 0.000 1.201 659 A CA 0.033 52.049 52.037 -0.035 0.000 0.843 659 A CB -0.591 18.397 19.000 -0.021 0.000 0.873 659 A HN 0.184 nan 8.150 nan 0.000 0.492 660 A N -0.383 122.492 122.820 0.092 0.000 2.316 660 A HA 0.525 4.798 4.320 -0.078 0.000 0.284 660 A C 0.303 178.037 177.584 0.249 0.000 1.115 660 A CA -0.265 51.919 52.037 0.244 0.000 0.812 660 A CB 0.480 19.709 19.000 0.382 0.000 1.064 660 A HN 0.230 nan 8.150 nan 0.000 0.489 661 D N -0.127 120.435 120.400 0.271 0.000 2.394 661 D HA 0.118 4.711 4.640 -0.078 0.000 0.226 661 D C -0.355 176.208 176.300 0.438 0.000 0.990 661 D CA 0.760 54.972 54.000 0.354 0.000 0.902 661 D CB 0.350 41.248 40.800 0.164 0.000 1.038 661 D HN 0.319 nan 8.370 nan 0.000 0.499 662 L N 0.627 121.992 121.223 0.237 0.000 2.356 662 L HA 0.371 4.664 4.340 -0.078 0.000 0.277 662 L C -0.772 176.057 176.870 -0.068 0.000 0.996 662 L CA -0.555 54.356 54.840 0.118 0.000 0.822 662 L CB 2.104 44.187 42.059 0.040 0.000 1.256 662 L HN -0.304 nan 8.230 nan 0.000 0.413 663 S N 3.916 119.485 115.700 -0.218 0.000 2.422 663 S HA 0.440 4.863 4.470 -0.078 0.000 0.308 663 S C -0.572 173.756 174.600 -0.453 0.000 1.097 663 S CA -0.628 57.177 58.200 -0.658 0.000 1.099 663 S CB 0.316 63.075 63.200 -0.735 0.000 0.976 663 S HN 0.607 nan 8.310 nan 0.000 0.471 664 E N 4.126 124.056 120.200 -0.451 0.000 2.052 664 E HA 0.196 4.499 4.350 -0.078 0.000 0.283 664 E C -0.526 175.934 176.600 -0.234 0.000 1.071 664 E CA -0.338 55.921 56.400 -0.235 0.000 0.851 664 E CB 0.905 30.503 29.700 -0.170 0.000 1.066 664 E HN 0.580 nan 8.360 nan 0.000 0.396 665 Q N 2.741 122.463 119.800 -0.131 0.000 2.965 665 Q HA 0.258 4.551 4.340 -0.078 0.000 0.288 665 Q C 0.691 176.676 176.000 -0.024 0.000 0.974 665 Q CA -0.138 55.606 55.803 -0.099 0.000 0.849 665 Q CB 0.249 28.934 28.738 -0.088 0.000 1.280 665 Q HN 0.613 nan 8.270 nan 0.000 0.441 666 I N -1.658 118.889 120.570 -0.038 0.000 3.805 666 I HA 0.264 4.387 4.170 -0.078 0.000 0.337 666 I C 0.467 176.540 176.117 -0.072 0.000 1.539 666 I CA -0.601 60.695 61.300 -0.006 0.000 1.176 666 I CB 0.290 38.284 38.000 -0.010 0.000 1.248 666 I HN 0.015 nan 8.210 nan 0.000 0.437 667 S N 0.496 116.152 115.700 -0.073 0.000 2.584 667 S HA 0.190 4.613 4.470 -0.078 0.000 0.270 667 S C 0.552 175.143 174.600 -0.014 0.000 1.346 667 S CA -0.281 57.897 58.200 -0.036 0.000 1.018 667 S CB 0.418 63.648 63.200 0.049 0.000 0.899 667 S HN 0.383 nan 8.310 nan 0.000 0.542 668 T N 2.556 117.144 114.554 0.057 0.000 2.902 668 T HA 0.402 4.705 4.350 -0.078 0.000 0.301 668 T C 0.720 175.437 174.700 0.028 0.000 1.012 668 T CA 0.256 62.391 62.100 0.058 0.000 1.151 668 T CB 0.058 69.041 68.868 0.191 0.000 0.946 668 T HN 1.025 nan 8.240 nan 0.000 0.542 669 A N 2.756 125.556 122.820 -0.033 0.000 2.573 669 A HA 0.424 4.697 4.320 -0.078 0.000 0.250 669 A C 1.673 179.251 177.584 -0.010 0.000 1.049 669 A CA 0.374 52.387 52.037 -0.039 0.000 0.767 669 A CB -1.032 17.932 19.000 -0.060 0.000 0.965 669 A HN 1.676 nan 8.150 nan 0.000 0.514 670 G N 1.582 110.377 108.800 -0.008 0.000 2.194 670 G HA2 -0.275 3.638 3.960 -0.078 0.000 0.236 670 G HA3 -0.275 3.638 3.960 -0.078 0.000 0.236 670 G C 1.015 175.908 174.900 -0.012 0.000 0.987 670 G CA 1.082 46.179 45.100 -0.006 0.000 0.635 670 G HN 1.920 nan 8.290 nan 0.000 0.520 671 T N -1.938 112.615 114.554 -0.001 0.000 3.010 671 T HA 0.358 4.661 4.350 -0.078 0.000 0.252 671 T C 0.873 175.442 174.700 -0.218 0.000 1.047 671 T CA 1.195 63.240 62.100 -0.092 0.000 1.140 671 T CB 0.344 69.226 68.868 0.023 0.000 0.885 671 T HN 0.302 nan 8.240 nan 0.000 0.464 672 E N 1.626 121.817 120.200 -0.014 0.000 2.070 672 E HA 0.609 4.912 4.350 -0.078 0.000 0.282 672 E C 1.141 177.692 176.600 -0.082 0.000 1.104 672 E CA 0.081 56.508 56.400 0.045 0.000 0.876 672 E CB 0.698 30.476 29.700 0.129 0.000 1.055 672 E HN 0.354 nan 8.360 nan 0.000 0.401 673 A N 3.435 126.127 122.820 -0.213 0.000 1.917 673 A HA -0.214 4.059 4.320 -0.078 0.000 0.219 673 A C 1.946 179.402 177.584 -0.213 0.000 1.182 673 A CA 2.263 54.035 52.037 -0.443 0.000 0.633 673 A CB -0.185 18.346 19.000 -0.783 0.000 0.819 673 A HN 0.627 nan 8.150 nan 0.000 0.448 674 S N -4.284 111.359 115.700 -0.095 0.000 4.257 674 S HA 0.435 4.858 4.470 -0.078 0.000 0.208 674 S C 0.677 175.276 174.600 -0.002 0.000 1.152 674 S CA 1.348 59.538 58.200 -0.017 0.000 1.110 674 S CB -0.295 62.915 63.200 0.017 0.000 1.434 674 S HN 2.320 nan 8.310 nan 0.000 0.509 675 G N 0.345 109.149 108.800 0.007 0.000 2.705 675 G HA2 -0.016 3.897 3.960 -0.078 0.000 0.686 675 G HA3 -0.016 3.897 3.960 -0.078 0.000 0.686 675 G C 0.254 175.147 174.900 -0.012 0.000 1.285 675 G CA 0.428 45.529 45.100 0.002 0.000 0.800 675 G HN 1.444 nan 8.290 nan 0.000 0.611 676 T N -2.156 112.378 114.554 -0.033 0.000 3.029 676 T HA 0.380 4.683 4.350 -0.078 0.000 0.256 676 T C 2.344 176.965 174.700 -0.131 0.000 0.914 676 T CA 1.243 63.297 62.100 -0.077 0.000 0.880 676 T CB 0.294 69.106 68.868 -0.095 0.000 1.246 676 T HN 1.887 nan 8.240 nan 0.000 0.523 677 G N 3.343 112.098 108.800 -0.076 0.000 2.422 677 G HA2 -0.247 3.666 3.960 -0.078 0.000 0.218 677 G HA3 -0.247 3.666 3.960 -0.078 0.000 0.218 677 G C 1.575 176.572 174.900 0.162 0.000 1.146 677 G CA 1.242 46.339 45.100 -0.006 0.000 0.769 677 G HN 0.675 nan 8.290 nan 0.000 0.547 678 N N 0.485 119.222 118.700 0.063 0.000 2.192 678 N HA -0.107 4.586 4.740 -0.078 0.000 0.188 678 N C 1.365 176.883 175.510 0.013 0.000 1.013 678 N CA 0.804 53.872 53.050 0.031 0.000 0.863 678 N CB -0.498 37.960 38.487 -0.049 0.000 0.990 678 N HN 0.359 nan 8.380 nan 0.000 0.430 682 M N 0.626 120.321 119.600 0.159 0.000 2.132 682 M HA -0.111 4.322 4.480 -0.078 0.000 0.263 682 M C 1.893 178.251 176.300 0.097 0.000 1.065 682 M CA 1.778 57.142 55.300 0.106 0.000 1.122 682 M CB -0.129 32.527 32.600 0.093 0.000 1.365 682 M HN 0.376 nan 8.290 nan 0.000 0.411 683 L N 0.435 121.713 121.223 0.091 0.000 2.191 683 L HA -0.191 4.102 4.340 -0.078 0.000 0.212 683 L C 1.051 177.964 176.870 0.072 0.000 1.103 683 L CA 1.226 56.125 54.840 0.099 0.000 0.769 683 L CB -0.457 41.674 42.059 0.119 0.000 0.908 683 L HN 0.480 nan 8.230 nan 0.000 0.438 684 N N -0.323 118.407 118.700 0.049 0.000 2.268 684 N HA 0.070 4.763 4.740 -0.078 0.000 0.204 684 N C 0.938 176.470 175.510 0.036 0.000 1.124 684 N CA 0.828 53.895 53.050 0.028 0.000 0.838 684 N CB 0.926 39.403 38.487 -0.017 0.000 0.994 684 N HN 0.426 nan 8.380 nan 0.000 0.489 685 G N 0.398 109.231 108.800 0.055 0.000 2.131 685 G HA2 -0.197 3.716 3.960 -0.078 0.000 0.223 685 G HA3 -0.197 3.716 3.960 -0.078 0.000 0.223 685 G C 0.012 174.985 174.900 0.121 0.000 0.990 685 G CA 0.066 45.205 45.100 0.064 0.000 0.671 685 G HN 0.515 nan 8.290 nan 0.000 0.521 686 A N -0.122 122.785 122.820 0.144 0.000 2.325 686 A HA 0.883 5.155 4.320 -0.078 0.000 0.333 686 A C 0.384 178.008 177.584 0.067 0.000 1.155 686 A CA -0.590 51.568 52.037 0.202 0.000 0.814 686 A CB 0.990 20.184 19.000 0.324 0.000 1.206 686 A HN 0.675 nan 8.150 nan 0.000 0.482 687 L N 0.731 121.967 121.223 0.021 0.000 2.399 687 L HA 0.477 4.770 4.340 -0.078 0.000 0.265 687 L C 0.198 176.967 176.870 -0.169 0.000 1.089 687 L CA -0.378 54.355 54.840 -0.179 0.000 0.802 687 L CB 1.567 43.416 42.059 -0.351 0.000 1.180 687 L HN 0.699 nan 8.230 nan 0.000 0.454 688 T N 2.391 116.691 114.554 -0.425 0.000 2.829 688 T HA 0.507 4.809 4.350 -0.078 0.000 0.280 688 T C -0.552 174.002 174.700 -0.243 0.000 0.999 688 T CA -0.293 61.524 62.100 -0.472 0.000 0.983 688 T CB 1.816 70.168 68.868 -0.860 0.000 0.968 688 T HN 0.375 nan 8.240 nan 0.000 0.446 689 I N 2.540 123.073 120.570 -0.062 0.000 2.389 689 I HA 0.738 4.861 4.170 -0.078 0.000 0.288 689 I C -0.049 176.212 176.117 0.240 0.000 0.999 689 I CA 0.048 61.434 61.300 0.144 0.000 1.129 689 I CB 0.474 38.494 38.000 0.032 0.000 1.288 689 I HN 0.808 nan 8.210 nan 0.000 0.444 690 G N 3.893 112.929 108.800 0.393 0.000 2.550 690 G HA2 0.450 4.362 3.960 -0.078 0.000 0.293 690 G HA3 0.450 4.362 3.960 -0.078 0.000 0.293 690 G C -0.962 173.897 174.900 -0.069 0.000 1.402 690 G CA -0.293 44.961 45.100 0.257 0.000 0.784 690 G HN 0.580 nan 8.290 nan 0.000 0.482 691 T N -1.584 112.790 114.554 -0.299 0.000 2.881 691 T HA 0.543 4.846 4.350 -0.078 0.000 0.278 691 T C 0.701 175.305 174.700 -0.162 0.000 0.982 691 T CA -0.718 61.129 62.100 -0.422 0.000 0.989 691 T CB 1.203 69.817 68.868 -0.423 0.000 1.058 691 T HN 0.272 nan 8.240 nan 0.000 0.529 692 M N 2.797 122.311 119.600 -0.143 0.000 3.436 692 M HA 0.322 4.755 4.480 -0.078 0.000 0.240 692 M C -0.490 175.772 176.300 -0.064 0.000 1.469 692 M CA -0.008 55.247 55.300 -0.076 0.000 1.622 692 M CB -1.791 30.769 32.600 -0.067 0.000 1.098 692 M HN 0.746 nan 8.290 nan 0.000 0.568 693 D N 0.015 120.384 120.400 -0.051 0.000 2.732 693 D HA 0.666 5.259 4.640 -0.078 0.000 0.229 693 D C 0.687 176.978 176.300 -0.014 0.000 1.152 693 D CA 0.716 54.697 54.000 -0.032 0.000 0.854 693 D CB 1.656 42.436 40.800 -0.034 0.000 1.590 693 D HN 0.596 nan 8.370 nan 0.000 0.468 694 G N 1.812 110.610 108.800 -0.002 0.000 2.614 694 G HA2 -0.256 3.657 3.960 -0.078 0.000 0.303 694 G HA3 -0.256 3.657 3.960 -0.078 0.000 0.303 694 G C 1.092 176.001 174.900 0.015 0.000 1.270 694 G CA 1.093 46.197 45.100 0.006 0.000 0.988 694 G HN 1.129 nan 8.290 nan 0.000 0.551 695 A N -0.278 122.550 122.820 0.012 0.000 2.168 695 A HA 0.048 4.321 4.320 -0.078 0.000 0.215 695 A C 2.142 179.698 177.584 -0.045 0.000 1.152 695 A CA 1.932 53.978 52.037 0.015 0.000 0.716 695 A CB -0.468 18.533 19.000 0.002 0.000 0.794 695 A HN 0.628 nan 8.150 nan 0.000 0.465 696 N N 0.587 119.268 118.700 -0.032 0.000 2.137 696 N HA -0.156 4.537 4.740 -0.078 0.000 0.190 696 N C 1.664 177.124 175.510 -0.083 0.000 1.017 696 N CA 1.649 54.695 53.050 -0.006 0.000 0.859 696 N CB -0.665 37.853 38.487 0.052 0.000 1.002 696 N HN 0.305 nan 8.380 nan 0.000 0.428 697 V N 1.453 121.332 119.914 -0.059 0.000 2.287 697 V HA -0.230 3.843 4.120 -0.078 0.000 0.248 697 V C 2.020 178.065 176.094 -0.082 0.000 1.053 697 V CA 1.755 64.009 62.300 -0.076 0.000 1.027 697 V CB -0.555 31.246 31.823 -0.036 0.000 0.646 697 V HN 0.348 nan 8.190 nan 0.000 0.447 698 E N -0.608 119.597 120.200 0.008 0.000 2.152 698 E HA -0.137 4.166 4.350 -0.078 0.000 0.192 698 E C 2.208 178.916 176.600 0.179 0.000 0.983 698 E CA 1.070 57.538 56.400 0.114 0.000 0.818 698 E CB -0.196 29.655 29.700 0.250 0.000 0.758 698 E HN 0.550 nan 8.360 nan 0.000 0.467 699 M N 0.448 120.052 119.600 0.006 0.000 2.086 699 M HA -0.140 4.293 4.480 -0.078 0.000 0.261 699 M C 2.507 178.501 176.300 -0.509 0.000 1.067 699 M CA 1.512 56.713 55.300 -0.164 0.000 1.116 699 M CB -0.204 32.217 32.600 -0.298 0.000 1.348 699 M HN 0.144 nan 8.290 nan 0.000 0.407 700 A N -0.002 122.275 122.820 -0.904 0.000 1.902 700 A HA -0.234 4.039 4.320 -0.078 0.000 0.217 700 A C 1.977 179.292 177.584 -0.450 0.000 1.181 700 A CA 2.067 53.442 52.037 -1.103 0.000 0.623 700 A CB -0.834 17.701 19.000 -0.775 0.000 0.818 700 A HN 0.595 nan 8.150 nan 0.000 0.443 701 E N -0.456 119.594 120.200 -0.249 0.000 2.077 701 E HA -0.218 4.085 4.350 -0.078 0.000 0.193 701 E C 1.848 178.400 176.600 -0.080 0.000 0.989 701 E CA 1.280 57.606 56.400 -0.123 0.000 0.800 701 E CB -0.087 29.572 29.700 -0.068 0.000 0.746 701 E HN 0.548 nan 8.360 nan 0.000 0.452 702 E N 0.277 120.456 120.200 -0.035 0.000 2.031 702 E HA -0.156 4.147 4.350 -0.078 0.000 0.193 702 E C 1.951 178.553 176.600 0.004 0.000 0.994 702 E CA 1.242 57.651 56.400 0.014 0.000 0.800 702 E CB -0.350 29.424 29.700 0.124 0.000 0.752 702 E HN 0.379 nan 8.360 nan 0.000 0.447 703 A N 0.425 123.236 122.820 -0.015 0.000 2.067 703 A HA 0.270 4.543 4.320 -0.078 0.000 0.217 703 A C 1.079 178.652 177.584 -0.019 0.000 1.156 703 A CA 1.207 53.254 52.037 0.017 0.000 0.683 703 A CB -0.196 18.864 19.000 0.100 0.000 0.808 703 A HN 0.287 nan 8.150 nan 0.000 0.455 704 G N -1.011 107.743 108.800 -0.078 0.000 3.055 704 G HA2 -0.108 3.805 3.960 -0.078 0.000 0.686 704 G HA3 -0.108 3.805 3.960 -0.078 0.000 0.686 704 G C 0.005 174.856 174.900 -0.082 0.000 1.087 704 G CA 0.108 45.167 45.100 -0.067 0.000 0.779 704 G HN 0.246 nan 8.290 nan 0.000 0.599 705 E N 0.466 120.614 120.200 -0.086 0.000 2.204 705 E HA -0.132 4.171 4.350 -0.078 0.000 0.195 705 E C 2.122 178.702 176.600 -0.033 0.000 0.990 705 E CA 1.817 58.179 56.400 -0.062 0.000 0.821 705 E CB 0.102 29.771 29.700 -0.051 0.000 0.750 705 E HN 0.710 nan 8.360 nan 0.000 0.477 706 E N 0.244 120.415 120.200 -0.049 0.000 2.338 706 E HA -0.099 4.204 4.350 -0.078 0.000 0.197 706 E C 0.717 177.237 176.600 -0.133 0.000 1.007 706 E CA 0.640 56.994 56.400 -0.076 0.000 0.849 706 E CB 0.013 29.681 29.700 -0.054 0.000 0.774 706 E HN 0.165 nan 8.360 nan 0.000 0.506 707 N N -0.253 118.398 118.700 -0.082 0.000 2.251 707 N HA 0.144 4.837 4.740 -0.078 0.000 0.217 707 N C -0.907 174.574 175.510 -0.049 0.000 1.124 707 N CA 0.100 53.087 53.050 -0.105 0.000 0.843 707 N CB 0.349 38.824 38.487 -0.020 0.000 1.024 707 N HN 0.036 nan 8.380 nan 0.000 0.501 708 F N -0.554 119.170 119.950 -0.377 0.000 2.603 708 F HA 0.429 4.909 4.527 -0.078 0.000 0.317 708 F C -0.713 174.812 175.800 -0.458 0.000 1.066 708 F CA -1.289 56.517 58.000 -0.323 0.000 0.941 708 F CB 1.265 40.183 39.000 -0.136 0.000 1.291 708 F HN -0.232 nan 8.300 nan 0.000 0.472 709 F N 4.295 124.255 119.950 0.018 0.000 2.366 709 F HA 0.371 4.851 4.527 -0.079 0.000 0.328 709 F C -0.198 175.725 175.800 0.205 0.000 1.180 709 F CA -0.595 57.444 58.000 0.065 0.000 1.232 709 F CB -0.117 38.868 39.000 -0.025 0.000 1.513 709 F HN -0.019 nan 8.300 nan 0.000 0.540 710 I N 3.046 123.817 120.570 0.335 0.000 2.519 710 I HA 0.252 4.375 4.170 -0.078 0.000 0.287 710 I C 0.015 176.334 176.117 0.336 0.000 1.047 710 I CA -0.268 61.207 61.300 0.292 0.000 1.381 710 I CB 0.390 38.489 38.000 0.165 0.000 1.417 710 I HN 0.331 nan 8.210 nan 0.000 0.540 711 F N 2.594 122.611 119.950 0.112 0.000 2.779 711 F HA 0.807 5.287 4.527 -0.078 0.000 0.316 711 F C -0.032 175.811 175.800 0.071 0.000 1.164 711 F CA -0.421 57.636 58.000 0.095 0.000 0.924 711 F CB 0.908 39.978 39.000 0.117 0.000 1.348 711 F HN 0.801 nan 8.300 nan 0.000 0.467 712 G N 0.951 109.785 108.800 0.056 0.000 2.828 712 G HA2 -0.093 3.820 3.960 -0.078 0.000 0.463 712 G HA3 -0.093 3.820 3.960 -0.078 0.000 0.463 712 G C -0.760 174.093 174.900 -0.078 0.000 1.394 712 G CA -0.530 44.532 45.100 -0.064 0.000 0.862 712 G HN 0.973 nan 8.290 nan 0.000 0.540 713 M N 0.675 120.244 119.600 -0.053 0.000 2.252 713 M HA 0.238 4.671 4.480 -0.078 0.000 0.333 713 M C 1.249 177.510 176.300 -0.065 0.000 1.111 713 M CA 0.202 55.483 55.300 -0.032 0.000 1.140 713 M CB 0.270 32.858 32.600 -0.020 0.000 1.538 713 M HN 0.501 nan 8.290 nan 0.000 0.448 714 R N 1.372 121.850 120.500 -0.037 0.000 2.608 714 R HA 0.320 4.613 4.340 -0.078 0.000 0.255 714 R C 1.215 177.496 176.300 -0.031 0.000 1.086 714 R CA -0.527 55.548 56.100 -0.041 0.000 1.125 714 R CB 0.429 30.714 30.300 -0.025 0.000 1.193 714 R HN 0.580 nan 8.270 nan 0.000 0.553 715 V N 1.766 121.661 119.914 -0.031 0.000 2.278 715 V HA -0.316 3.757 4.120 -0.078 0.000 0.251 715 V C 1.899 177.983 176.094 -0.017 0.000 1.062 715 V CA 2.192 64.477 62.300 -0.025 0.000 1.038 715 V CB -0.498 31.310 31.823 -0.025 0.000 0.646 715 V HN 0.666 nan 8.190 nan 0.000 0.447 716 E N 0.392 120.585 120.200 -0.012 0.000 2.070 716 E HA -0.226 4.077 4.350 -0.078 0.000 0.197 716 E C 1.950 178.554 176.600 0.007 0.000 1.004 716 E CA 1.705 58.103 56.400 -0.003 0.000 0.805 716 E CB -0.500 29.200 29.700 0.000 0.000 0.744 716 E HN 0.645 nan 8.360 nan 0.000 0.451 717 D N 0.235 120.641 120.400 0.010 0.000 2.117 717 D HA -0.126 4.467 4.640 -0.078 0.000 0.197 717 D C 2.073 178.387 176.300 0.024 0.000 0.987 717 D CA 1.081 55.096 54.000 0.026 0.000 0.829 717 D CB -0.287 40.531 40.800 0.031 0.000 0.961 717 D HN 0.060 nan 8.370 nan 0.000 0.460 718 V N 1.326 121.241 119.914 0.001 0.000 2.392 718 V HA -0.252 3.821 4.120 -0.078 0.000 0.249 718 V C 2.164 178.255 176.094 -0.006 0.000 1.059 718 V CA 1.921 64.211 62.300 -0.016 0.000 1.051 718 V CB -0.484 31.319 31.823 -0.034 0.000 0.658 718 V HN 0.070 nan 8.190 nan 0.000 0.455 719 D N -0.099 120.300 120.400 -0.001 0.000 2.117 719 D HA -0.148 4.445 4.640 -0.078 0.000 0.198 719 D C 2.244 178.557 176.300 0.021 0.000 0.982 719 D CA 1.188 55.191 54.000 0.004 0.000 0.828 719 D CB -0.106 40.694 40.800 -0.001 0.000 0.967 719 D HN 0.321 nan 8.370 nan 0.000 0.464 720 K N -0.471 119.947 120.400 0.030 0.000 2.113 720 K HA -0.155 4.118 4.320 -0.078 0.000 0.208 720 K C 1.906 178.543 176.600 0.063 0.000 1.047 720 K CA 0.644 56.957 56.287 0.043 0.000 0.928 720 K CB -0.138 32.391 32.500 0.048 0.000 0.716 720 K HN 0.166 nan 8.250 nan 0.000 0.446 721 L N 1.476 122.745 121.223 0.077 0.000 2.156 721 L HA -0.127 4.166 4.340 -0.078 0.000 0.208 721 L C 1.514 178.449 176.870 0.109 0.000 1.095 721 L CA 1.761 56.675 54.840 0.123 0.000 0.770 721 L CB -0.316 41.835 42.059 0.153 0.000 0.914 721 L HN 0.108 nan 8.230 nan 0.000 0.439 722 D N -0.992 119.444 120.400 0.060 0.000 2.144 722 D HA -0.180 4.413 4.640 -0.078 0.000 0.200 722 D C 2.081 178.410 176.300 0.047 0.000 0.978 722 D CA 0.951 54.978 54.000 0.046 0.000 0.833 722 D CB 0.068 40.873 40.800 0.008 0.000 0.961 722 D HN 0.473 nan 8.370 nan 0.000 0.470 723 Q N -0.033 119.792 119.800 0.041 0.000 2.230 723 Q HA -0.063 4.230 4.340 -0.078 0.000 0.202 723 Q C 2.138 178.163 176.000 0.043 0.000 0.963 723 Q CA 0.638 56.463 55.803 0.036 0.000 0.866 723 Q CB 0.188 28.944 28.738 0.029 0.000 0.931 723 Q HN 0.161 nan 8.270 nan 0.000 0.452 724 R N -0.186 120.348 120.500 0.057 0.000 2.189 724 R HA 0.083 4.376 4.340 -0.078 0.000 0.203 724 R C -0.168 176.172 176.300 0.065 0.000 1.012 724 R CA 0.950 57.084 56.100 0.057 0.000 1.015 724 R CB 0.542 30.880 30.300 0.063 0.000 0.938 724 R HN 0.167 nan 8.270 nan 0.000 0.472 725 G N 0.476 109.330 108.800 0.090 0.000 3.367 725 G HA2 -0.232 3.681 3.960 -0.078 0.000 0.686 725 G HA3 -0.232 3.681 3.960 -0.078 0.000 0.686 725 G C -1.451 173.547 174.900 0.163 0.000 1.146 725 G CA -0.333 44.831 45.100 0.105 0.000 0.913 725 G HN 0.257 nan 8.290 nan 0.000 0.554 726 Y N 3.011 123.346 120.300 0.058 0.000 2.377 726 Y HA 0.634 5.137 4.550 -0.078 0.000 0.330 726 Y C 0.206 176.168 175.900 0.104 0.000 1.108 726 Y CA -1.031 57.126 58.100 0.096 0.000 1.308 726 Y CB 1.417 39.918 38.460 0.069 0.000 1.216 726 Y HN 0.599 nan 8.280 nan 0.000 0.518 727 N N 4.736 123.180 118.700 -0.427 0.000 2.716 727 N HA 0.285 4.978 4.740 -0.078 0.000 0.253 727 N C 0.265 175.495 175.510 -0.466 0.000 1.170 727 N CA 0.345 53.159 53.050 -0.393 0.000 0.807 727 N CB 0.917 39.312 38.487 -0.152 0.000 1.183 727 N HN 0.839 nan 8.380 nan 0.000 0.524 728 A N 2.045 124.434 122.820 -0.719 0.000 1.997 728 A HA -0.249 4.024 4.320 -0.078 0.000 0.221 728 A C 1.869 179.603 177.584 0.250 0.000 1.172 728 A CA 1.740 53.681 52.037 -0.160 0.000 0.645 728 A CB -0.355 18.456 19.000 -0.315 0.000 0.813 728 A HN 0.658 nan 8.150 nan 0.000 0.454 729 Q N 0.166 119.996 119.800 0.051 0.000 2.181 729 Q HA -0.201 4.092 4.340 -0.078 0.000 0.205 729 Q C 1.769 177.835 176.000 0.109 0.000 0.980 729 Q CA 2.182 58.050 55.803 0.109 0.000 0.862 729 Q CB -0.391 28.371 28.738 0.040 0.000 0.905 729 Q HN 0.800 nan 8.270 nan 0.000 0.429 730 E N -1.409 118.760 120.200 -0.051 0.000 2.153 730 E HA -0.201 4.102 4.350 -0.078 0.000 0.194 730 E C 1.579 178.033 176.600 -0.244 0.000 0.988 730 E CA 1.261 57.535 56.400 -0.210 0.000 0.811 730 E CB -0.163 29.295 29.700 -0.404 0.000 0.746 730 E HN 0.542 nan 8.360 nan 0.000 0.466 731 Y N -1.004 119.381 120.300 0.142 0.000 2.269 731 Y HA -0.121 4.382 4.550 -0.079 0.000 0.294 731 Y C 2.158 178.082 175.900 0.040 0.000 1.120 731 Y CA 0.671 58.844 58.100 0.121 0.000 1.159 731 Y CB -0.599 37.985 38.460 0.207 0.000 1.024 731 Y HN 0.043 nan 8.280 nan 0.000 0.532 732 Y N 1.716 122.076 120.300 0.100 0.000 2.114 732 Y HA -0.285 4.218 4.550 -0.078 0.000 0.282 732 Y C 1.661 177.536 175.900 -0.042 0.000 1.165 732 Y CA 1.967 60.033 58.100 -0.056 0.000 1.148 732 Y CB -0.403 38.087 38.460 0.049 0.000 0.972 732 Y HN 0.105 nan 8.280 nan 0.000 0.504 733 D N -0.571 119.896 120.400 0.111 0.000 2.378 733 D HA -0.076 4.517 4.640 -0.078 0.000 0.222 733 D C 1.504 177.781 176.300 -0.039 0.000 0.980 733 D CA 0.739 54.754 54.000 0.025 0.000 0.907 733 D CB 0.020 40.855 40.800 0.057 0.000 0.899 733 D HN 0.356 nan 8.370 nan 0.000 0.527 734 R N -0.326 120.148 120.500 -0.044 0.000 2.509 734 R HA 0.301 4.594 4.340 -0.078 0.000 0.297 734 R C 0.245 176.524 176.300 -0.036 0.000 0.951 734 R CA -0.098 55.984 56.100 -0.030 0.000 1.103 734 R CB 1.272 31.572 30.300 -0.001 0.000 1.283 734 R HN 0.152 nan 8.270 nan 0.000 0.534 735 I N 2.140 122.654 120.570 -0.093 0.000 2.460 735 I HA 0.244 4.367 4.170 -0.078 0.000 0.277 735 I C -1.818 174.184 176.117 -0.190 0.000 1.057 735 I CA -2.052 59.194 61.300 -0.091 0.000 1.179 735 I CB 1.985 39.945 38.000 -0.067 0.000 1.329 735 I HN -0.320 nan 8.210 nan 0.000 0.478 736 P HA -0.204 nan 4.420 nan 0.000 0.215 736 P C 1.272 178.483 177.300 -0.148 0.000 1.157 736 P CA 1.497 64.507 63.100 -0.151 0.000 0.874 736 P CB 0.281 31.931 31.700 -0.084 0.000 0.790 737 E N -1.051 119.105 120.200 -0.073 0.000 2.118 737 E HA -0.193 4.110 4.350 -0.078 0.000 0.195 737 E C 1.896 178.433 176.600 -0.105 0.000 0.992 737 E CA 0.858 57.241 56.400 -0.028 0.000 0.804 737 E CB -0.649 29.106 29.700 0.092 0.000 0.741 737 E HN 0.135 nan 8.360 nan 0.000 0.458 738 L N 1.356 122.417 121.223 -0.270 0.000 2.027 738 L HA -0.142 4.151 4.340 -0.078 0.000 0.206 738 L C 2.161 178.773 176.870 -0.430 0.000 1.074 738 L CA 1.649 56.144 54.840 -0.574 0.000 0.745 738 L CB -0.224 41.268 42.059 -0.944 0.000 0.898 738 L HN -0.091 nan 8.230 nan 0.000 0.433 739 R N -0.714 119.475 120.500 -0.520 0.000 2.105 739 R HA -0.233 4.060 4.340 -0.078 0.000 0.239 739 R C 2.288 178.479 176.300 -0.181 0.000 1.135 739 R CA 1.765 57.536 56.100 -0.549 0.000 0.967 739 R CB -0.487 29.380 30.300 -0.723 0.000 0.861 739 R HN 0.608 nan 8.270 nan 0.000 0.442 740 Q N 0.773 120.479 119.800 -0.157 0.000 2.061 740 Q HA -0.159 4.134 4.340 -0.078 0.000 0.204 740 Q C 2.033 178.017 176.000 -0.027 0.000 0.984 740 Q CA 1.796 57.550 55.803 -0.081 0.000 0.846 740 Q CB 0.070 28.762 28.738 -0.078 0.000 0.902 740 Q HN 0.167 nan 8.270 nan 0.000 0.421 741 V N 1.092 120.994 119.914 -0.019 0.000 2.295 741 V HA -0.267 3.806 4.120 -0.078 0.000 0.246 741 V C 2.384 178.539 176.094 0.103 0.000 1.049 741 V CA 1.366 63.701 62.300 0.058 0.000 1.024 741 V CB -0.522 31.320 31.823 0.032 0.000 0.648 741 V HN 0.447 nan 8.190 nan 0.000 0.447 742 I N 0.112 120.733 120.570 0.085 0.000 2.226 742 I HA -0.214 3.909 4.170 -0.078 0.000 0.245 742 I C 2.475 178.700 176.117 0.179 0.000 1.100 742 I CA 1.616 63.019 61.300 0.172 0.000 1.374 742 I CB -1.242 36.945 38.000 0.311 0.000 1.057 742 I HN 0.457 nan 8.210 nan 0.000 0.413 743 E N 0.276 120.566 120.200 0.150 0.000 2.204 743 E HA -0.207 4.096 4.350 -0.078 0.000 0.194 743 E C 2.192 178.863 176.600 0.119 0.000 0.989 743 E CA 0.723 57.198 56.400 0.126 0.000 0.824 743 E CB -0.009 29.741 29.700 0.083 0.000 0.756 743 E HN 0.570 nan 8.360 nan 0.000 0.477 744 Q N 0.206 120.080 119.800 0.123 0.000 2.079 744 Q HA -0.119 4.174 4.340 -0.078 0.000 0.200 744 Q C 2.299 178.497 176.000 0.329 0.000 0.974 744 Q CA 0.923 56.822 55.803 0.161 0.000 0.840 744 Q CB -0.021 28.808 28.738 0.153 0.000 0.898 744 Q HN 0.316 nan 8.270 nan 0.000 0.430 745 L N -0.056 121.380 121.223 0.355 0.000 2.017 745 L HA -0.185 4.108 4.340 -0.078 0.000 0.208 745 L C 2.648 179.712 176.870 0.324 0.000 1.073 745 L CA 1.091 56.164 54.840 0.388 0.000 0.745 745 L CB -0.501 41.697 42.059 0.232 0.000 0.894 745 L HN 0.197 nan 8.230 nan 0.000 0.432 746 S N -0.335 115.501 115.700 0.225 0.000 2.368 746 S HA -0.154 4.269 4.470 -0.078 0.000 0.224 746 S C 2.148 176.835 174.600 0.145 0.000 1.029 746 S CA 1.502 59.805 58.200 0.171 0.000 0.988 746 S CB -0.168 63.112 63.200 0.135 0.000 0.838 746 S HN 0.567 nan 8.310 nan 0.000 0.462 747 S N -0.387 115.397 115.700 0.140 0.000 2.522 747 S HA 0.321 4.744 4.470 -0.078 0.000 0.227 747 S C 1.474 176.140 174.600 0.111 0.000 0.986 747 S CA 0.937 59.202 58.200 0.109 0.000 0.929 747 S CB -0.205 63.048 63.200 0.088 0.000 0.769 747 S HN 1.283 nan 8.310 nan 0.000 0.529 748 G N 0.464 109.354 108.800 0.151 0.000 2.144 748 G HA2 -0.276 3.637 3.960 -0.078 0.000 0.218 748 G HA3 -0.276 3.637 3.960 -0.078 0.000 0.218 748 G C 0.228 175.185 174.900 0.097 0.000 0.988 748 G CA 0.115 45.282 45.100 0.111 0.000 0.659 748 G HN 0.491 nan 8.290 nan 0.000 0.522 749 F N 0.729 120.644 119.950 -0.058 0.000 2.161 749 F HA 0.169 4.649 4.527 -0.079 0.000 0.300 749 F C 1.748 177.321 175.800 -0.378 0.000 1.089 749 F CA 1.699 59.544 58.000 -0.258 0.000 1.282 749 F CB -0.137 38.617 39.000 -0.411 0.000 1.010 749 F HN 0.153 nan 8.300 nan 0.000 0.485 750 F N -0.037 119.929 119.950 0.026 0.000 2.660 750 F HA 0.211 4.691 4.527 -0.078 0.000 0.302 750 F C 0.602 176.409 175.800 0.011 0.000 1.103 750 F CA 0.312 58.285 58.000 -0.043 0.000 1.340 750 F CB -0.376 38.697 39.000 0.121 0.000 1.048 750 F HN 0.015 nan 8.300 nan 0.000 0.551 751 S N -2.488 113.236 115.700 0.041 0.000 2.730 751 S HA 0.264 4.687 4.470 -0.078 0.000 0.150 751 S C -2.431 172.124 174.600 -0.075 0.000 1.139 751 S CA -0.871 57.293 58.200 -0.060 0.000 1.155 751 S CB 0.602 63.673 63.200 -0.215 0.000 1.682 751 S HN -0.156 nan 8.310 nan 0.000 0.452 752 P HA -0.154 nan 4.420 nan 0.000 0.215 752 P C 1.325 178.593 177.300 -0.052 0.000 1.157 752 P CA 1.464 64.521 63.100 -0.072 0.000 0.874 752 P CB 0.076 31.719 31.700 -0.095 0.000 0.790 753 K N -0.978 119.389 120.400 -0.056 0.000 2.147 753 K HA -0.093 4.180 4.320 -0.078 0.000 0.205 753 K C 0.708 177.284 176.600 -0.039 0.000 1.049 753 K CA 1.049 57.311 56.287 -0.042 0.000 0.936 753 K CB -0.154 32.324 32.500 -0.037 0.000 0.722 753 K HN 0.345 nan 8.250 nan 0.000 0.446 754 Q N -0.404 119.361 119.800 -0.058 0.000 2.932 754 Q HA 0.151 4.444 4.340 -0.078 0.000 0.248 754 Q C -2.344 173.607 176.000 -0.081 0.000 0.982 754 Q CA -1.564 54.200 55.803 -0.064 0.000 0.730 754 Q CB 1.723 30.416 28.738 -0.075 0.000 1.249 754 Q HN -0.084 nan 8.270 nan 0.000 0.476 755 P HA -0.200 nan 4.420 nan 0.000 0.217 755 P C 0.141 177.436 177.300 -0.008 0.000 1.148 755 P CA 1.368 64.461 63.100 -0.012 0.000 0.834 755 P CB 0.318 32.022 31.700 0.007 0.000 0.783 756 D N -2.065 118.323 120.400 -0.020 0.000 2.328 756 D HA 0.028 4.621 4.640 -0.078 0.000 0.221 756 D C 1.563 177.836 176.300 -0.044 0.000 1.072 756 D CA -0.115 53.884 54.000 -0.002 0.000 0.850 756 D CB -0.577 40.233 40.800 0.016 0.000 0.922 756 D HN 0.014 nan 8.370 nan 0.000 0.516 757 L N -0.095 121.024 121.223 -0.174 0.000 2.051 757 L HA -0.173 4.120 4.340 -0.078 0.000 0.214 757 L C 0.890 177.548 176.870 -0.353 0.000 1.076 757 L CA 1.714 56.345 54.840 -0.349 0.000 0.758 757 L CB -0.331 41.303 42.059 -0.707 0.000 0.890 757 L HN -0.068 nan 8.230 nan 0.000 0.433 758 F N -0.765 119.222 119.950 0.060 0.000 2.730 758 F HA 0.224 4.703 4.527 -0.079 0.000 0.295 758 F C 1.844 177.676 175.800 0.054 0.000 1.143 758 F CA -0.336 57.688 58.000 0.040 0.000 1.367 758 F CB -0.904 38.110 39.000 0.022 0.000 0.970 758 F HN 0.071 nan 8.300 nan 0.000 0.514 759 K N 0.741 121.251 120.400 0.183 0.000 2.032 759 K HA -0.189 4.084 4.320 -0.078 0.000 0.209 759 K C 1.298 177.988 176.600 0.150 0.000 1.048 759 K CA 2.068 58.444 56.287 0.148 0.000 0.927 759 K CB 0.012 32.581 32.500 0.114 0.000 0.712 759 K HN 0.104 nan 8.250 nan 0.000 0.441 760 D N 0.906 121.412 120.400 0.176 0.000 2.123 760 D HA -0.178 4.415 4.640 -0.078 0.000 0.196 760 D C 2.008 178.380 176.300 0.120 0.000 0.992 760 D CA 1.238 55.347 54.000 0.182 0.000 0.833 760 D CB -0.228 40.722 40.800 0.250 0.000 0.954 760 D HN 0.329 nan 8.370 nan 0.000 0.455 761 I N 0.624 121.258 120.570 0.106 0.000 2.179 761 I HA -0.236 3.887 4.170 -0.078 0.000 0.242 761 I C 2.450 178.563 176.117 -0.007 0.000 1.088 761 I CA 0.695 62.013 61.300 0.030 0.000 1.357 761 I CB -0.186 37.816 38.000 0.004 0.000 1.051 761 I HN -0.101 nan 8.210 nan 0.000 0.409 762 V N 1.029 120.966 119.914 0.039 0.000 2.261 762 V HA -0.306 3.767 4.120 -0.078 0.000 0.246 762 V C 1.972 178.006 176.094 -0.100 0.000 1.047 762 V CA 2.369 64.671 62.300 0.004 0.000 1.015 762 V CB -1.010 30.849 31.823 0.061 0.000 0.642 762 V HN 0.471 nan 8.190 nan 0.000 0.446 763 N N -0.391 118.289 118.700 -0.034 0.000 2.149 763 N HA -0.223 4.470 4.740 -0.078 0.000 0.188 763 N C 1.885 177.243 175.510 -0.253 0.000 1.019 763 N CA 1.489 54.529 53.050 -0.017 0.000 0.857 763 N CB -0.175 38.411 38.487 0.165 0.000 0.997 763 N HN 0.378 nan 8.380 nan 0.000 0.426 764 M N 1.124 120.513 119.600 -0.352 0.000 2.123 764 M HA -0.073 4.360 4.480 -0.078 0.000 0.263 764 M C 1.801 177.787 176.300 -0.523 0.000 1.069 764 M CA 1.419 56.261 55.300 -0.763 0.000 1.133 764 M CB -0.511 31.900 32.600 -0.314 0.000 1.356 764 M HN 0.159 nan 8.290 nan 0.000 0.415 765 L N 0.089 121.089 121.223 -0.372 0.000 2.042 765 L HA -0.272 4.021 4.340 -0.078 0.000 0.210 765 L C 2.606 179.038 176.870 -0.730 0.000 1.076 765 L CA 1.093 55.634 54.840 -0.498 0.000 0.749 765 L CB -0.673 41.167 42.059 -0.364 0.000 0.893 765 L HN 0.331 nan 8.230 nan 0.000 0.432 766 M N -1.418 117.814 119.600 -0.613 0.000 2.236 766 M HA -0.080 4.353 4.480 -0.078 0.000 0.266 766 M C 1.961 177.848 176.300 -0.688 0.000 1.070 766 M CA 1.660 56.532 55.300 -0.712 0.000 1.137 766 M CB -0.812 31.209 32.600 -0.965 0.000 1.378 766 M HN 0.326 nan 8.290 nan 0.000 0.426 767 H N -1.816 117.133 119.070 -0.201 0.000 3.017 767 H HA 0.188 4.696 4.556 -0.079 0.000 0.255 767 H C 0.091 175.428 175.328 0.017 0.000 0.990 767 H CA 0.609 56.607 56.048 -0.084 0.000 1.205 767 H CB 0.117 29.883 29.762 0.006 0.000 1.460 767 H HN 0.580 nan 8.280 nan 0.000 0.478 768 H N -1.444 117.672 119.070 0.078 0.000 2.823 768 H HA 0.302 4.811 4.556 -0.078 0.000 0.222 768 H C -1.388 173.974 175.328 0.058 0.000 1.414 768 H CA -0.712 55.383 56.048 0.079 0.000 1.289 768 H CB -0.153 29.660 29.762 0.085 0.000 1.970 768 H HN -0.133 nan 8.280 nan 0.000 0.517 769 D N 1.415 121.846 120.400 0.053 0.000 2.428 769 D HA 0.161 4.754 4.640 -0.078 0.000 0.221 769 D C 0.839 177.107 176.300 -0.052 0.000 1.123 769 D CA -0.536 53.476 54.000 0.021 0.000 0.869 769 D CB 0.770 41.553 40.800 -0.028 0.000 1.032 769 D HN 0.509 nan 8.370 nan 0.000 0.506 770 R N 2.430 122.822 120.500 -0.180 0.000 2.285 770 R HA -0.044 4.249 4.340 -0.078 0.000 0.213 770 R C 0.472 176.209 176.300 -0.938 0.000 1.068 770 R CA 0.770 56.532 56.100 -0.564 0.000 1.004 770 R CB 0.099 29.942 30.300 -0.762 0.000 0.873 770 R HN 0.426 nan 8.270 nan 0.000 0.467 771 F N 0.580 120.489 119.950 -0.070 0.000 2.654 771 F HA 0.246 4.726 4.527 -0.079 0.000 0.303 771 F C 0.114 175.793 175.800 -0.201 0.000 1.099 771 F CA -0.683 57.260 58.000 -0.095 0.000 1.270 771 F CB 0.150 39.152 39.000 0.003 0.000 1.024 771 F HN -0.240 nan 8.300 nan 0.000 0.548 772 K N -0.290 119.905 120.400 -0.341 0.000 3.311 772 K HA -0.194 4.079 4.320 -0.078 0.000 0.270 772 K C 1.028 177.532 176.600 -0.159 0.000 0.927 772 K CA 0.196 56.140 56.287 -0.570 0.000 0.706 772 K CB -1.805 30.193 32.500 -0.836 0.000 1.418 772 K HN 0.226 nan 8.250 nan 0.000 0.459 773 V N -0.038 119.865 119.914 -0.018 0.000 2.282 773 V HA -0.292 3.780 4.120 -0.078 0.000 0.249 773 V C 2.030 178.297 176.094 0.289 0.000 1.057 773 V CA 2.137 64.507 62.300 0.117 0.000 1.032 773 V CB -0.507 31.395 31.823 0.131 0.000 0.645 773 V HN 0.424 nan 8.190 nan 0.000 0.447 774 F N 0.867 120.849 119.950 0.053 0.000 2.202 774 F HA -0.140 4.340 4.527 -0.078 0.000 0.301 774 F C 2.453 178.090 175.800 -0.271 0.000 1.082 774 F CA 0.893 58.889 58.000 -0.006 0.000 1.313 774 F CB -1.513 37.538 39.000 0.085 0.000 1.024 774 F HN 0.166 nan 8.300 nan 0.000 0.495 775 A N -0.656 122.012 122.820 -0.253 0.000 2.019 775 A HA -0.148 4.125 4.320 -0.078 0.000 0.219 775 A C 1.694 179.230 177.584 -0.080 0.000 1.164 775 A CA 1.879 53.621 52.037 -0.492 0.000 0.644 775 A CB -0.474 18.352 19.000 -0.290 0.000 0.805 775 A HN 0.234 nan 8.150 nan 0.000 0.449 776 D N -2.873 117.566 120.400 0.066 0.000 2.398 776 D HA 0.090 4.683 4.640 -0.078 0.000 0.210 776 D C 1.152 177.620 176.300 0.279 0.000 1.094 776 D CA -0.075 54.039 54.000 0.190 0.000 0.839 776 D CB -0.119 40.804 40.800 0.205 0.000 0.963 776 D HN 0.524 nan 8.370 nan 0.000 0.506 777 Y N 2.457 122.840 120.300 0.137 0.000 2.030 777 Y HA -0.282 4.221 4.550 -0.079 0.000 0.274 777 Y C 2.083 178.067 175.900 0.140 0.000 1.153 777 Y CA 2.071 60.265 58.100 0.155 0.000 1.115 777 Y CB -0.039 38.475 38.460 0.090 0.000 0.969 777 Y HN -0.105 nan 8.280 nan 0.000 0.488 778 E N -0.483 119.813 120.200 0.161 0.000 2.065 778 E HA -0.309 3.994 4.350 -0.078 0.000 0.201 778 E C 1.917 178.495 176.600 -0.038 0.000 1.016 778 E CA 1.753 58.162 56.400 0.016 0.000 0.818 778 E CB -0.357 29.440 29.700 0.163 0.000 0.749 778 E HN 0.528 nan 8.360 nan 0.000 0.453 779 D N -0.772 119.679 120.400 0.085 0.000 2.219 779 D HA -0.157 4.436 4.640 -0.078 0.000 0.205 779 D C 1.635 177.964 176.300 0.048 0.000 0.970 779 D CA 0.581 54.652 54.000 0.119 0.000 0.851 779 D CB -0.038 40.904 40.800 0.236 0.000 0.943 779 D HN 0.162 nan 8.370 nan 0.000 0.488 780 Y N 0.748 120.925 120.300 -0.204 0.000 2.163 780 Y HA -0.094 4.410 4.550 -0.078 0.000 0.288 780 Y C 1.919 177.453 175.900 -0.611 0.000 1.136 780 Y CA 1.050 58.743 58.100 -0.678 0.000 1.147 780 Y CB -0.318 37.803 38.460 -0.566 0.000 0.987 780 Y HN -0.058 nan 8.280 nan 0.000 0.509 781 I N 0.729 120.945 120.570 -0.590 0.000 2.179 781 I HA -0.305 3.818 4.170 -0.078 0.000 0.242 781 I C 2.181 178.045 176.117 -0.422 0.000 1.088 781 I CA 1.581 62.521 61.300 -0.599 0.000 1.357 781 I CB -1.267 36.425 38.000 -0.513 0.000 1.051 781 I HN 0.262 nan 8.210 nan 0.000 0.409 782 K N -0.016 120.220 120.400 -0.273 0.000 2.057 782 K HA -0.209 4.064 4.320 -0.078 0.000 0.207 782 K C 2.336 178.835 176.600 -0.168 0.000 1.049 782 K CA 1.615 57.809 56.287 -0.155 0.000 0.931 782 K CB -0.484 31.979 32.500 -0.061 0.000 0.714 782 K HN 0.363 nan 8.250 nan 0.000 0.440 783 C N 1.612 120.780 119.300 -0.220 0.000 2.425 783 C HA -0.095 4.318 4.460 -0.078 0.000 0.277 783 C C 2.707 177.490 174.990 -0.345 0.000 1.280 783 C CA 0.832 59.742 59.018 -0.180 0.000 1.744 783 C CB -0.629 27.009 27.740 -0.171 0.000 1.989 783 C HN 0.418 nan 8.230 nan 0.000 0.491 784 Q N 0.484 119.930 119.800 -0.589 0.000 2.084 784 Q HA -0.168 4.125 4.340 -0.078 0.000 0.202 784 Q C 2.052 177.834 176.000 -0.363 0.000 0.978 784 Q CA 1.689 57.107 55.803 -0.643 0.000 0.844 784 Q CB -0.457 27.637 28.738 -1.073 0.000 0.898 784 Q HN 0.757 nan 8.270 nan 0.000 0.426 785 E N 0.722 120.772 120.200 -0.250 0.000 2.085 785 E HA -0.196 4.107 4.350 -0.078 0.000 0.194 785 E C 1.998 178.552 176.600 -0.076 0.000 0.994 785 E CA 0.918 57.250 56.400 -0.113 0.000 0.801 785 E CB -0.077 29.581 29.700 -0.069 0.000 0.743 785 E HN 0.208 nan 8.360 nan 0.000 0.453 786 K N 0.956 121.311 120.400 -0.075 0.000 2.097 786 K HA -0.149 4.124 4.320 -0.078 0.000 0.206 786 K C 2.052 178.642 176.600 -0.016 0.000 1.049 786 K CA 0.959 57.269 56.287 0.037 0.000 0.933 786 K CB 0.088 32.679 32.500 0.152 0.000 0.717 786 K HN -0.043 nan 8.250 nan 0.000 0.442 787 V N 0.704 120.399 119.914 -0.365 0.000 2.261 787 V HA -0.234 3.839 4.120 -0.078 0.000 0.246 787 V C 2.158 178.222 176.094 -0.051 0.000 1.047 787 V CA 2.127 64.078 62.300 -0.581 0.000 1.015 787 V CB -0.455 30.924 31.823 -0.740 0.000 0.642 787 V HN 0.346 nan 8.190 nan 0.000 0.446 788 S N 0.227 115.882 115.700 -0.076 0.000 2.400 788 S HA -0.209 4.214 4.470 -0.078 0.000 0.232 788 S C 2.161 176.839 174.600 0.130 0.000 1.025 788 S CA 1.423 59.631 58.200 0.013 0.000 0.993 788 S CB -0.522 62.671 63.200 -0.012 0.000 0.808 788 S HN 0.657 nan 8.310 nan 0.000 0.478 789 A N 1.386 124.278 122.820 0.120 0.000 1.877 789 A HA -0.029 4.243 4.320 -0.078 0.000 0.216 789 A C 2.118 179.830 177.584 0.213 0.000 1.186 789 A CA 1.405 53.531 52.037 0.147 0.000 0.620 789 A CB -0.723 18.348 19.000 0.119 0.000 0.822 789 A HN 0.430 nan 8.150 nan 0.000 0.443 790 L N -1.885 119.528 121.223 0.316 0.000 2.131 790 L HA -0.110 4.183 4.340 -0.078 0.000 0.210 790 L C 2.214 179.377 176.870 0.488 0.000 1.092 790 L CA 1.940 57.036 54.840 0.426 0.000 0.759 790 L CB -0.834 41.587 42.059 0.604 0.000 0.903 790 L HN 0.483 nan 8.230 nan 0.000 0.435 791 Y N 0.467 120.943 120.300 0.295 0.000 2.333 791 Y HA -0.219 4.284 4.550 -0.078 0.000 0.290 791 Y C 2.251 178.133 175.900 -0.030 0.000 1.144 791 Y CA 1.600 59.652 58.100 -0.080 0.000 1.228 791 Y CB -0.160 38.053 38.460 -0.411 0.000 0.985 791 Y HN 0.228 nan 8.280 nan 0.000 0.542 792 K N -0.299 120.168 120.400 0.112 0.000 2.442 792 K HA -0.122 4.151 4.320 -0.078 0.000 0.198 792 K C 0.388 176.982 176.600 -0.011 0.000 1.042 792 K CA 0.691 57.011 56.287 0.054 0.000 0.958 792 K CB -0.094 32.465 32.500 0.099 0.000 0.766 792 K HN 0.067 nan 8.250 nan 0.000 0.474 793 N N 0.699 119.412 118.700 0.022 0.000 2.898 793 N HA 0.136 4.829 4.740 -0.078 0.000 0.245 793 N C -2.429 173.094 175.510 0.022 0.000 1.185 793 N CA -2.213 50.852 53.050 0.025 0.000 0.879 793 N CB 1.261 39.793 38.487 0.075 0.000 1.157 793 N HN -0.202 nan 8.380 nan 0.000 0.503 794 P HA -0.182 nan 4.420 nan 0.000 0.216 794 P C 1.399 178.715 177.300 0.028 0.000 1.154 794 P CA 1.173 64.212 63.100 -0.103 0.000 0.865 794 P CB 0.410 32.015 31.700 -0.158 0.000 0.789 795 R N -0.030 120.484 120.500 0.024 0.000 2.073 795 R HA -0.155 4.137 4.340 -0.078 0.000 0.234 795 R C 2.013 178.357 176.300 0.074 0.000 1.134 795 R CA 1.446 57.571 56.100 0.042 0.000 0.952 795 R CB -0.445 29.871 30.300 0.026 0.000 0.850 795 R HN 0.048 nan 8.270 nan 0.000 0.433 796 E N 0.050 120.302 120.200 0.087 0.000 2.150 796 E HA -0.225 4.078 4.350 -0.078 0.000 0.193 796 E C 1.557 178.231 176.600 0.125 0.000 0.985 796 E CA 0.738 57.192 56.400 0.091 0.000 0.814 796 E CB -0.448 29.305 29.700 0.089 0.000 0.752 796 E HN 0.529 nan 8.360 nan 0.000 0.466 797 W N 1.882 123.185 121.300 0.006 0.000 2.355 797 W HA -0.164 4.449 4.660 -0.078 0.000 0.309 797 W C 1.536 178.070 176.519 0.025 0.000 1.206 797 W CA 2.005 59.371 57.345 0.035 0.000 1.284 797 W CB -0.370 29.082 29.460 -0.014 0.000 1.145 797 W HN 0.022 nan 8.180 nan 0.000 0.502 798 T N 1.115 115.808 114.554 0.233 0.000 2.857 798 T HA -0.104 4.199 4.350 -0.078 0.000 0.266 798 T C 1.896 176.608 174.700 0.021 0.000 1.048 798 T CA 1.225 63.397 62.100 0.120 0.000 1.139 798 T CB -0.229 68.697 68.868 0.095 0.000 0.874 798 T HN 0.132 nan 8.240 nan 0.000 0.455 799 R N 0.589 121.108 120.500 0.032 0.000 2.096 799 R HA 0.051 4.344 4.340 -0.078 0.000 0.235 799 R C 2.449 178.744 176.300 -0.007 0.000 1.127 799 R CA 1.124 57.243 56.100 0.032 0.000 0.968 799 R CB -0.398 29.927 30.300 0.041 0.000 0.861 799 R HN 0.389 nan 8.270 nan 0.000 0.440 800 M N 0.558 120.117 119.600 -0.068 0.000 2.175 800 M HA -0.124 4.309 4.480 -0.078 0.000 0.264 800 M C 1.985 178.201 176.300 -0.141 0.000 1.063 800 M CA 1.260 56.482 55.300 -0.129 0.000 1.119 800 M CB 0.177 32.638 32.600 -0.231 0.000 1.377 800 M HN -0.068 nan 8.290 nan 0.000 0.415 801 V N 0.959 120.772 119.914 -0.168 0.000 2.255 801 V HA -0.319 3.754 4.120 -0.078 0.000 0.247 801 V C 2.228 178.307 176.094 -0.026 0.000 1.051 801 V CA 2.113 64.345 62.300 -0.114 0.000 1.018 801 V CB -0.625 31.161 31.823 -0.062 0.000 0.641 801 V HN 0.512 nan 8.190 nan 0.000 0.445 802 I N -0.398 120.173 120.570 0.002 0.000 2.194 802 I HA -0.310 3.812 4.170 -0.078 0.000 0.246 802 I C 2.675 178.843 176.117 0.085 0.000 1.093 802 I CA 1.726 63.071 61.300 0.076 0.000 1.355 802 I CB -0.485 37.608 38.000 0.154 0.000 1.046 802 I HN 0.241 nan 8.210 nan 0.000 0.413 803 R N 0.413 120.943 120.500 0.051 0.000 2.193 803 R HA -0.106 4.187 4.340 -0.078 0.000 0.229 803 R C 1.964 178.300 176.300 0.060 0.000 1.110 803 R CA 0.964 57.093 56.100 0.048 0.000 0.988 803 R CB -0.360 29.951 30.300 0.019 0.000 0.871 803 R HN 0.536 nan 8.270 nan 0.000 0.458 804 N N 0.564 119.297 118.700 0.056 0.000 2.197 804 N HA -0.011 4.682 4.740 -0.078 0.000 0.184 804 N C 1.929 177.503 175.510 0.108 0.000 1.030 804 N CA 0.883 53.992 53.050 0.098 0.000 0.851 804 N CB 0.073 38.602 38.487 0.070 0.000 1.003 804 N HN 0.092 nan 8.380 nan 0.000 0.430 805 I N 1.734 122.352 120.570 0.081 0.000 2.208 805 I HA -0.239 3.884 4.170 -0.078 0.000 0.245 805 I C 2.337 178.503 176.117 0.083 0.000 1.097 805 I CA 1.008 62.355 61.300 0.080 0.000 1.363 805 I CB -0.302 37.730 38.000 0.053 0.000 1.051 805 I HN 0.079 nan 8.210 nan 0.000 0.413 806 A N 0.176 123.046 122.820 0.084 0.000 2.121 806 A HA -0.125 4.148 4.320 -0.078 0.000 0.218 806 A C 1.923 179.549 177.584 0.070 0.000 1.154 806 A CA 1.830 53.909 52.037 0.071 0.000 0.679 806 A CB -0.803 18.245 19.000 0.081 0.000 0.795 806 A HN 0.539 nan 8.150 nan 0.000 0.458 807 T N -3.117 111.493 114.554 0.093 0.000 3.228 807 T HA 0.219 4.522 4.350 -0.078 0.000 0.278 807 T C 0.964 175.766 174.700 0.168 0.000 1.014 807 T CA 0.522 62.681 62.100 0.099 0.000 0.904 807 T CB -0.195 68.726 68.868 0.087 0.000 1.110 807 T HN 0.433 nan 8.240 nan 0.000 0.541 808 S N -0.208 115.606 115.700 0.191 0.000 2.575 808 S HA 0.295 4.718 4.470 -0.078 0.000 0.215 808 S C 2.194 176.940 174.600 0.243 0.000 0.966 808 S CA 0.228 58.624 58.200 0.327 0.000 0.911 808 S CB -0.446 62.912 63.200 0.263 0.000 0.780 808 S HN 0.506 nan 8.310 nan 0.000 0.514 809 G N 3.050 111.912 108.800 0.103 0.000 2.513 809 G HA2 -0.333 3.580 3.960 -0.078 0.000 0.219 809 G HA3 -0.333 3.580 3.960 -0.078 0.000 0.219 809 G C 1.308 176.171 174.900 -0.061 0.000 1.160 809 G CA 1.169 46.294 45.100 0.043 0.000 0.767 809 G HN 0.620 nan 8.290 nan 0.000 0.571 810 K N -0.255 119.992 120.400 -0.255 0.000 2.286 810 K HA -0.072 4.201 4.320 -0.078 0.000 0.203 810 K C 1.309 177.560 176.600 -0.581 0.000 1.045 810 K CA 0.903 56.892 56.287 -0.497 0.000 0.935 810 K CB -0.268 31.764 32.500 -0.780 0.000 0.737 810 K HN 0.366 nan 8.250 nan 0.000 0.460 811 F N 0.861 120.847 119.950 0.059 0.000 2.692 811 F HA 0.169 4.649 4.527 -0.079 0.000 0.303 811 F C 0.897 176.751 175.800 0.090 0.000 1.114 811 F CA -0.311 57.732 58.000 0.071 0.000 1.361 811 F CB 0.053 39.093 39.000 0.066 0.000 1.063 811 F HN -0.122 nan 8.300 nan 0.000 0.550 812 S N 0.201 115.991 115.700 0.150 0.000 2.564 812 S HA 0.088 4.511 4.470 -0.078 0.000 0.278 812 S C 1.502 176.192 174.600 0.151 0.000 1.333 812 S CA -0.016 58.273 58.200 0.148 0.000 1.048 812 S CB 0.765 64.022 63.200 0.096 0.000 0.900 812 S HN 0.343 nan 8.310 nan 0.000 0.505 813 S N 3.076 118.889 115.700 0.188 0.000 2.507 813 S HA -0.068 4.355 4.470 -0.078 0.000 0.235 813 S C 0.959 175.628 174.600 0.115 0.000 0.988 813 S CA 0.649 58.982 58.200 0.222 0.000 0.944 813 S CB -0.328 63.068 63.200 0.328 0.000 0.762 813 S HN 0.795 nan 8.310 nan 0.000 0.526 814 D N 1.926 122.376 120.400 0.083 0.000 2.117 814 D HA -0.085 4.508 4.640 -0.078 0.000 0.198 814 D C 2.112 178.425 176.300 0.021 0.000 0.982 814 D CA 0.766 54.792 54.000 0.042 0.000 0.828 814 D CB -0.335 40.488 40.800 0.038 0.000 0.967 814 D HN 0.296 nan 8.370 nan 0.000 0.464 815 R N 0.992 121.507 120.500 0.024 0.000 2.075 815 R HA -0.084 4.209 4.340 -0.078 0.000 0.232 815 R C 1.845 178.142 176.300 -0.005 0.000 1.126 815 R CA 1.287 57.385 56.100 -0.003 0.000 0.963 815 R CB -0.779 29.505 30.300 -0.026 0.000 0.858 815 R HN 0.102 nan 8.270 nan 0.000 0.435 816 T N 2.251 116.827 114.554 0.037 0.000 2.674 816 T HA -0.104 4.199 4.350 -0.078 0.000 0.265 816 T C 1.945 176.659 174.700 0.023 0.000 1.039 816 T CA 1.359 63.503 62.100 0.073 0.000 1.150 816 T CB -0.137 68.863 68.868 0.219 0.000 0.864 816 T HN 0.087 nan 8.240 nan 0.000 0.427 817 I N 1.768 122.277 120.570 -0.101 0.000 2.208 817 I HA -0.151 3.972 4.170 -0.078 0.000 0.245 817 I C 2.933 179.009 176.117 -0.069 0.000 1.097 817 I CA 1.127 62.322 61.300 -0.176 0.000 1.363 817 I CB -1.643 36.253 38.000 -0.172 0.000 1.051 817 I HN 0.194 nan 8.210 nan 0.000 0.413 818 A N 0.313 123.112 122.820 -0.035 0.000 1.917 818 A HA -0.265 4.008 4.320 -0.078 0.000 0.219 818 A C 2.233 179.775 177.584 -0.069 0.000 1.182 818 A CA 1.749 53.771 52.037 -0.025 0.000 0.633 818 A CB -0.664 18.326 19.000 -0.016 0.000 0.819 818 A HN 0.559 nan 8.150 nan 0.000 0.448 819 Q N -2.184 117.554 119.800 -0.104 0.000 2.123 819 Q HA -0.143 4.150 4.340 -0.078 0.000 0.199 819 Q C 1.930 177.753 176.000 -0.296 0.000 0.966 819 Q CA 1.465 57.164 55.803 -0.173 0.000 0.845 819 Q CB -0.271 28.355 28.738 -0.187 0.000 0.907 819 Q HN 0.818 nan 8.270 nan 0.000 0.439 820 Y N 0.698 120.711 120.300 -0.479 0.000 2.145 820 Y HA -0.243 4.260 4.550 -0.079 0.000 0.286 820 Y C 2.483 177.768 175.900 -1.025 0.000 1.145 820 Y CA 1.316 58.871 58.100 -0.908 0.000 1.148 820 Y CB -0.368 37.291 38.460 -1.336 0.000 0.981 820 Y HN 0.139 nan 8.280 nan 0.000 0.507 821 A N 0.084 122.660 122.820 -0.407 0.000 1.877 821 A HA -0.212 4.061 4.320 -0.078 0.000 0.216 821 A C 2.213 179.814 177.584 0.028 0.000 1.186 821 A CA 2.009 54.077 52.037 0.051 0.000 0.620 821 A CB -0.509 18.609 19.000 0.196 0.000 0.822 821 A HN 0.421 nan 8.150 nan 0.000 0.443 822 R N -0.865 119.607 120.500 -0.047 0.000 2.100 822 R HA 0.020 4.313 4.340 -0.078 0.000 0.220 822 R C 1.825 178.095 176.300 -0.049 0.000 1.091 822 R CA 1.347 57.431 56.100 -0.027 0.000 0.986 822 R CB -0.104 30.177 30.300 -0.032 0.000 0.888 822 R HN 0.624 nan 8.270 nan 0.000 0.444 823 E N -0.539 119.590 120.200 -0.119 0.000 2.400 823 E HA 0.087 4.390 4.350 -0.078 0.000 0.195 823 E C 1.254 177.794 176.600 -0.100 0.000 1.012 823 E CA 0.496 56.829 56.400 -0.112 0.000 0.875 823 E CB 0.562 30.165 29.700 -0.161 0.000 0.859 823 E HN 0.293 nan 8.360 nan 0.000 0.498 824 I N -1.404 119.075 120.570 -0.151 0.000 3.878 824 I HA 0.012 4.135 4.170 -0.078 0.000 0.273 824 I C 1.207 177.447 176.117 0.205 0.000 1.165 824 I CA -0.120 61.151 61.300 -0.048 0.000 1.360 824 I CB 0.198 38.030 38.000 -0.280 0.000 1.539 824 I HN 0.123 nan 8.210 nan 0.000 0.447 825 W N 1.628 123.014 121.300 0.144 0.000 2.584 825 W HA 0.252 4.864 4.660 -0.080 0.000 0.264 825 W C 1.661 178.210 176.519 0.049 0.000 1.264 825 W CA 1.033 58.443 57.345 0.108 0.000 1.306 825 W CB -1.168 28.346 29.460 0.089 0.000 1.110 825 W HN 0.382 nan 8.180 nan 0.000 0.606 826 G N 0.607 109.539 108.800 0.220 0.000 2.160 826 G HA2 -0.173 3.740 3.960 -0.078 0.000 0.244 826 G HA3 -0.173 3.740 3.960 -0.078 0.000 0.244 826 G C -0.152 174.815 174.900 0.113 0.000 1.022 826 G CA 0.255 45.428 45.100 0.122 0.000 0.741 826 G HN 0.388 nan 8.290 nan 0.000 0.508 827 V N -3.012 116.996 119.914 0.155 0.000 2.769 827 V HA 0.934 5.007 4.120 -0.078 0.000 0.312 827 V C -0.216 175.940 176.094 0.102 0.000 1.061 827 V CA -1.286 61.084 62.300 0.117 0.000 0.931 827 V CB 2.189 34.091 31.823 0.131 0.000 1.010 827 V HN 0.407 nan 8.190 nan 0.000 0.433 828 E N 3.770 124.012 120.200 0.070 0.000 2.175 828 E HA 0.660 4.963 4.350 -0.078 0.000 0.278 828 E C -2.688 173.948 176.600 0.061 0.000 0.969 828 E CA -2.109 54.325 56.400 0.057 0.000 0.796 828 E CB 1.534 31.259 29.700 0.040 0.000 1.104 828 E HN 0.724 nan 8.360 nan 0.000 0.395 829 P HA 0.162 nan 4.420 nan 0.000 0.272 829 P C -1.264 176.065 177.300 0.049 0.000 1.223 829 P CA -0.293 62.841 63.100 0.057 0.000 0.784 829 P CB 1.087 32.815 31.700 0.047 0.000 0.923 830 S N 1.286 117.017 115.700 0.052 0.000 2.541 830 S HA 0.438 4.861 4.470 -0.078 0.000 0.280 830 S C 0.224 174.849 174.600 0.042 0.000 1.112 830 S CA -0.688 57.539 58.200 0.046 0.000 0.925 830 S CB 0.975 64.207 63.200 0.054 0.000 1.067 830 S HN 0.240 nan 8.310 nan 0.000 0.479 831 R N 1.608 122.127 120.500 0.033 0.000 2.476 831 R HA 0.133 4.425 4.340 -0.078 0.000 0.276 831 R C 0.214 176.524 176.300 0.015 0.000 0.941 831 R CA -0.039 56.078 56.100 0.030 0.000 1.088 831 R CB 0.452 30.771 30.300 0.031 0.000 1.216 831 R HN 0.834 nan 8.270 nan 0.000 0.533 832 Q N 1.195 121.002 119.800 0.011 0.000 2.352 832 Q HA 0.247 4.540 4.340 -0.078 0.000 0.260 832 Q C -0.832 175.153 176.000 -0.024 0.000 0.976 832 Q CA -0.095 55.706 55.803 -0.005 0.000 0.881 832 Q CB 0.817 29.554 28.738 -0.001 0.000 1.235 832 Q HN -0.255 nan 8.270 nan 0.000 0.419 833 R N 1.721 122.197 120.500 -0.040 0.000 2.536 833 R HA 0.506 4.799 4.340 -0.078 0.000 0.279 833 R C -0.356 175.888 176.300 -0.093 0.000 1.001 833 R CA -0.544 55.518 56.100 -0.063 0.000 1.027 833 R CB 0.824 31.087 30.300 -0.062 0.000 1.096 833 R HN 0.579 nan 8.270 nan 0.000 0.502 834 L N 3.304 124.453 121.223 -0.124 0.000 2.439 834 L HA 0.500 4.793 4.340 -0.078 0.000 0.259 834 L C -1.663 175.143 176.870 -0.106 0.000 1.129 834 L CA -1.995 52.746 54.840 -0.166 0.000 0.803 834 L CB 0.710 42.635 42.059 -0.223 0.000 1.161 834 L HN 0.431 nan 8.230 nan 0.000 0.462 835 P HA 0.367 nan 4.420 nan 0.000 0.275 835 P C -1.165 176.110 177.300 -0.041 0.000 1.266 835 P CA -0.261 62.805 63.100 -0.057 0.000 0.793 835 P CB 1.454 33.127 31.700 -0.046 0.000 1.074 836 A N 0.000 122.807 122.820 -0.022 0.000 2.254 836 A HA 0.000 4.273 4.320 -0.078 0.000 0.244 836 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 836 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486