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 3nc4_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.987 176.000 -0.021 0.000 1.003 12 Q CA 0.000 55.779 55.803 -0.041 0.000 1.022 12 Q CB 0.000 28.706 28.738 -0.054 0.000 1.108 13 I N -0.229 120.333 120.570 -0.014 0.000 2.437 13 I HA 0.521 4.684 4.170 -0.012 0.000 0.298 13 I C 0.901 177.021 176.117 0.005 0.000 0.984 13 I CA -0.185 61.114 61.300 0.000 0.000 1.214 13 I CB 1.952 39.956 38.000 0.007 0.000 1.365 13 I HN 0.220 nan 8.210 nan 0.000 0.469 14 S N 3.590 119.298 115.700 0.014 0.000 2.368 14 S HA -0.137 4.325 4.470 -0.012 0.000 0.224 14 S C 1.792 176.404 174.600 0.020 0.000 1.029 14 S CA 1.724 59.934 58.200 0.015 0.000 0.988 14 S CB -0.480 62.733 63.200 0.021 0.000 0.838 14 S HN 0.778 nan 8.310 nan 0.000 0.462 15 V N 0.100 120.034 119.914 0.033 0.000 2.867 15 V HA 0.069 4.182 4.120 -0.012 0.000 0.260 15 V C 1.980 178.093 176.094 0.031 0.000 1.099 15 V CA 1.449 63.773 62.300 0.040 0.000 1.122 15 V CB -1.028 30.828 31.823 0.056 0.000 0.708 15 V HN 0.373 nan 8.190 nan 0.000 0.490 16 R N 1.246 121.755 120.500 0.015 0.000 2.323 16 R HA 0.383 4.716 4.340 -0.012 0.000 0.198 16 R C 1.202 177.496 176.300 -0.011 0.000 0.988 16 R CA 0.580 56.682 56.100 0.003 0.000 1.041 16 R CB -0.272 30.026 30.300 -0.004 0.000 0.926 16 R HN 0.804 nan 8.270 nan 0.000 0.476 17 G N 0.515 109.308 108.800 -0.011 0.000 2.728 17 G HA2 -0.226 3.727 3.960 -0.012 0.000 0.294 17 G HA3 -0.226 3.727 3.960 -0.012 0.000 0.294 17 G C -0.890 173.997 174.900 -0.022 0.000 1.342 17 G CA -1.055 44.030 45.100 -0.025 0.000 0.866 17 G HN -0.019 nan 8.290 nan 0.000 0.534 18 L N 0.444 121.652 121.223 -0.025 0.000 2.375 18 L HA 0.652 4.985 4.340 -0.012 0.000 0.271 18 L C 1.292 178.151 176.870 -0.018 0.000 1.107 18 L CA 0.462 55.291 54.840 -0.018 0.000 0.806 18 L CB 1.061 43.110 42.059 -0.016 0.000 1.146 18 L HN 1.537 nan 8.230 nan 0.000 0.447 19 A N 2.503 125.317 122.820 -0.011 0.000 3.232 19 A HA 0.564 4.876 4.320 -0.012 0.000 0.312 19 A C 0.723 178.307 177.584 0.001 0.000 1.185 19 A CA -0.329 51.704 52.037 -0.006 0.000 1.011 19 A CB -0.440 18.557 19.000 -0.005 0.000 1.096 19 A HN 0.785 nan 8.150 nan 0.000 0.543 20 G N -0.523 108.277 108.800 0.001 0.000 2.491 20 G HA2 0.315 4.268 3.960 -0.012 0.000 0.242 20 G HA3 0.315 4.268 3.960 -0.012 0.000 0.242 20 G C 1.114 176.021 174.900 0.012 0.000 1.266 20 G CA 0.270 45.373 45.100 0.006 0.000 0.844 20 G HN 0.697 nan 8.290 nan 0.000 0.571 21 V N 1.551 121.473 119.914 0.013 0.000 2.287 21 V HA -0.178 3.935 4.120 -0.012 0.000 0.248 21 V C 2.656 178.762 176.094 0.021 0.000 1.053 21 V CA 2.946 65.256 62.300 0.016 0.000 1.027 21 V CB -0.431 31.400 31.823 0.014 0.000 0.646 21 V HN 0.878 nan 8.190 nan 0.000 0.447 22 E N 0.362 120.575 120.200 0.021 0.000 2.017 22 E HA -0.210 4.133 4.350 -0.012 0.000 0.193 22 E C 1.964 178.587 176.600 0.038 0.000 0.997 22 E CA 2.135 58.551 56.400 0.027 0.000 0.804 22 E CB -0.366 29.349 29.700 0.025 0.000 0.757 22 E HN 0.728 nan 8.360 nan 0.000 0.448 23 N N -0.652 118.070 118.700 0.037 0.000 2.104 23 N HA -0.154 4.579 4.740 -0.012 0.000 0.190 23 N C 1.687 177.227 175.510 0.049 0.000 1.024 23 N CA 1.271 54.349 53.050 0.048 0.000 0.853 23 N CB -0.246 38.257 38.487 0.026 0.000 1.008 23 N HN -0.021 nan 8.380 nan 0.000 0.424 24 V N 0.428 120.362 119.914 0.034 0.000 2.295 24 V HA -0.254 3.859 4.120 -0.012 0.000 0.246 24 V C 2.073 178.191 176.094 0.041 0.000 1.049 24 V CA 1.975 64.295 62.300 0.033 0.000 1.024 24 V CB -0.972 30.866 31.823 0.025 0.000 0.648 24 V HN 0.421 nan 8.190 nan 0.000 0.447 25 T N -0.597 113.980 114.554 0.038 0.000 2.684 25 T HA -0.266 4.077 4.350 -0.012 0.000 0.267 25 T C 1.919 176.654 174.700 0.059 0.000 1.036 25 T CA 1.956 64.079 62.100 0.040 0.000 1.148 25 T CB -0.255 68.632 68.868 0.032 0.000 0.863 25 T HN 0.442 nan 8.240 nan 0.000 0.436 26 E N 0.773 121.015 120.200 0.070 0.000 2.072 26 E HA -0.003 4.339 4.350 -0.012 0.000 0.191 26 E C 2.074 178.753 176.600 0.132 0.000 0.985 26 E CA 0.777 57.232 56.400 0.091 0.000 0.801 26 E CB -0.470 29.287 29.700 0.095 0.000 0.750 26 E HN 0.447 nan 8.360 nan 0.000 0.452 27 L N 0.117 121.425 121.223 0.142 0.000 2.083 27 L HA -0.187 4.145 4.340 -0.012 0.000 0.209 27 L C 2.364 179.349 176.870 0.191 0.000 1.083 27 L CA 1.348 56.298 54.840 0.184 0.000 0.752 27 L CB -0.318 41.822 42.059 0.136 0.000 0.899 27 L HN 0.061 nan 8.230 nan 0.000 0.433 28 K N 0.589 121.063 120.400 0.123 0.000 2.026 28 K HA -0.208 4.104 4.320 -0.012 0.000 0.208 28 K C 2.144 178.846 176.600 0.170 0.000 1.048 28 K CA 1.807 58.159 56.287 0.107 0.000 0.929 28 K CB -0.086 32.437 32.500 0.039 0.000 0.713 28 K HN 0.385 nan 8.250 nan 0.000 0.439 29 K N 0.244 120.724 120.400 0.135 0.000 2.155 29 K HA -0.034 4.279 4.320 -0.012 0.000 0.203 29 K C 1.612 178.303 176.600 0.151 0.000 1.052 29 K CA 1.267 57.629 56.287 0.125 0.000 0.948 29 K CB -0.087 32.461 32.500 0.080 0.000 0.728 29 K HN -0.013 nan 8.250 nan 0.000 0.448 30 N N 0.609 119.413 118.700 0.173 0.000 2.188 30 N HA -0.126 4.606 4.740 -0.012 0.000 0.184 30 N C 1.593 177.269 175.510 0.277 0.000 1.018 30 N CA 1.046 54.205 53.050 0.182 0.000 0.858 30 N CB -0.294 38.313 38.487 0.201 0.000 0.989 30 N HN 0.213 nan 8.380 nan 0.000 0.426 31 F N 2.610 122.667 119.950 0.178 0.000 2.095 31 F HA -0.154 4.366 4.527 -0.012 0.000 0.298 31 F C 2.016 177.920 175.800 0.173 0.000 1.104 31 F CA 1.368 59.480 58.000 0.187 0.000 1.232 31 F CB -0.164 38.918 39.000 0.137 0.000 0.987 31 F HN -0.017 nan 8.300 nan 0.000 0.475 32 N N 0.381 119.307 118.700 0.376 0.000 2.188 32 N HA -0.182 4.550 4.740 -0.012 0.000 0.184 32 N C 2.012 177.602 175.510 0.132 0.000 1.018 32 N CA 1.166 54.357 53.050 0.235 0.000 0.858 32 N CB -0.579 38.023 38.487 0.193 0.000 0.989 32 N HN 0.372 nan 8.380 nan 0.000 0.426 33 R N 0.197 120.779 120.500 0.138 0.000 2.081 33 R HA -0.097 4.236 4.340 -0.012 0.000 0.235 33 R C 1.768 178.146 176.300 0.130 0.000 1.131 33 R CA 1.445 57.654 56.100 0.182 0.000 0.960 33 R CB -0.182 30.167 30.300 0.081 0.000 0.856 33 R HN 0.383 nan 8.270 nan 0.000 0.436 34 H N -0.384 118.725 119.070 0.065 0.000 2.357 34 H HA -0.115 4.434 4.556 -0.012 0.000 0.301 34 H C 1.882 177.125 175.328 -0.142 0.000 1.082 34 H CA 1.464 57.475 56.048 -0.062 0.000 1.342 34 H CB 0.056 29.741 29.762 -0.128 0.000 1.389 34 H HN 0.110 nan 8.280 nan 0.000 0.511 35 L N 0.031 121.213 121.223 -0.068 0.000 2.079 35 L HA -0.217 4.116 4.340 -0.012 0.000 0.210 35 L C 2.202 179.037 176.870 -0.059 0.000 1.081 35 L CA 1.913 56.689 54.840 -0.107 0.000 0.752 35 L CB -0.442 41.575 42.059 -0.069 0.000 0.896 35 L HN 0.321 nan 8.230 nan 0.000 0.433 36 H N -1.783 117.198 119.070 -0.147 0.000 2.276 36 H HA -0.060 4.488 4.556 -0.012 0.000 0.307 36 H C 1.832 176.967 175.328 -0.322 0.000 1.061 36 H CA 2.234 58.105 56.048 -0.294 0.000 1.336 36 H CB -0.324 29.161 29.762 -0.462 0.000 1.396 36 H HN 0.279 nan 8.280 nan 0.000 0.503 37 F N -0.268 119.632 119.950 -0.083 0.000 2.234 37 F HA -0.042 4.477 4.527 -0.013 0.000 0.296 37 F C 2.614 178.316 175.800 -0.162 0.000 1.089 37 F CA 1.469 59.379 58.000 -0.150 0.000 1.343 37 F CB -0.445 38.510 39.000 -0.076 0.000 1.040 37 F HN 0.190 nan 8.300 nan 0.000 0.498 38 T N -0.124 114.442 114.554 0.020 0.000 2.866 38 T HA 0.043 4.385 4.350 -0.012 0.000 0.250 38 T C 1.907 176.495 174.700 -0.187 0.000 1.033 38 T CA 0.886 62.928 62.100 -0.098 0.000 1.145 38 T CB -0.376 68.394 68.868 -0.164 0.000 0.866 38 T HN 0.098 nan 8.240 nan 0.000 0.434 39 L N 1.276 122.385 121.223 -0.191 0.000 2.567 39 L HA 0.201 4.534 4.340 -0.012 0.000 0.225 39 L C 0.315 177.078 176.870 -0.179 0.000 1.119 39 L CA -0.094 54.627 54.840 -0.198 0.000 0.871 39 L CB -0.022 41.927 42.059 -0.184 0.000 1.036 39 L HN -0.017 nan 8.230 nan 0.000 0.459 40 V N -0.014 119.777 119.914 -0.205 0.000 5.820 40 V HA -0.289 3.824 4.120 -0.012 0.000 0.300 40 V C -0.003 175.977 176.094 -0.189 0.000 0.585 40 V CA 1.087 63.245 62.300 -0.237 0.000 0.629 40 V CB -2.273 29.437 31.823 -0.188 0.000 0.291 40 V HN 0.398 nan 8.190 nan 0.000 0.887 41 K N 0.828 121.127 120.400 -0.168 0.000 2.480 41 K HA 0.741 5.054 4.320 -0.012 0.000 0.258 41 K C -0.391 176.181 176.600 -0.046 0.000 0.990 41 K CA -0.436 55.785 56.287 -0.110 0.000 0.857 41 K CB 2.750 35.174 32.500 -0.127 0.000 1.384 41 K HN 0.475 nan 8.250 nan 0.000 0.446 42 D N -0.802 119.590 120.400 -0.013 0.000 2.553 42 D HA 0.309 4.941 4.640 -0.012 0.000 0.249 42 D C 0.637 176.973 176.300 0.060 0.000 1.062 42 D CA -0.664 53.361 54.000 0.042 0.000 1.085 42 D CB 0.738 41.566 40.800 0.046 0.000 1.350 42 D HN 0.076 nan 8.370 nan 0.000 0.575 43 R N -0.160 120.407 120.500 0.113 0.000 2.341 43 R HA 0.024 4.356 4.340 -0.012 0.000 0.213 43 R C 0.522 176.898 176.300 0.128 0.000 1.082 43 R CA 0.421 56.630 56.100 0.181 0.000 1.017 43 R CB -0.730 29.672 30.300 0.170 0.000 0.860 43 R HN 0.495 nan 8.270 nan 0.000 0.473 44 N N -0.203 118.536 118.700 0.065 0.000 2.388 44 N HA -0.043 4.690 4.740 -0.012 0.000 0.176 44 N C 1.432 176.954 175.510 0.021 0.000 1.062 44 N CA 0.914 53.990 53.050 0.043 0.000 0.895 44 N CB 0.649 39.152 38.487 0.027 0.000 1.018 44 N HN 0.171 nan 8.380 nan 0.000 0.456 45 V N -2.876 117.036 119.914 -0.004 0.000 3.432 45 V HA 0.541 4.654 4.120 -0.012 0.000 0.298 45 V C 0.694 176.741 176.094 -0.078 0.000 1.464 45 V CA -0.640 61.641 62.300 -0.031 0.000 1.046 45 V CB -0.178 31.623 31.823 -0.035 0.000 0.887 45 V HN 0.028 nan 8.190 nan 0.000 0.441 46 A N 2.360 125.107 122.820 -0.122 0.000 2.488 46 A HA 0.564 4.877 4.320 -0.012 0.000 0.249 46 A C 0.806 178.198 177.584 -0.321 0.000 1.083 46 A CA 0.783 52.633 52.037 -0.312 0.000 0.768 46 A CB -0.154 18.503 19.000 -0.572 0.000 1.017 46 A HN 0.832 nan 8.150 nan 0.000 0.496 47 T N 0.695 115.082 114.554 -0.278 0.000 2.874 47 T HA 0.470 4.813 4.350 -0.012 0.000 0.281 47 T C -1.911 172.692 174.700 -0.162 0.000 0.994 47 T CA -1.596 60.413 62.100 -0.153 0.000 1.015 47 T CB 0.915 69.728 68.868 -0.092 0.000 1.028 47 T HN 0.299 nan 8.240 nan 0.000 0.523 48 P HA -0.097 nan 4.420 nan 0.000 0.217 48 P C 1.517 178.903 177.300 0.143 0.000 1.148 48 P CA 0.962 64.167 63.100 0.176 0.000 0.828 48 P CB 0.048 31.823 31.700 0.126 0.000 0.783 49 R N -0.159 120.368 120.500 0.044 0.000 2.093 49 R HA -0.091 4.242 4.340 -0.012 0.000 0.224 49 R C 1.626 178.026 176.300 0.166 0.000 1.101 49 R CA 1.365 57.501 56.100 0.061 0.000 0.979 49 R CB -0.621 29.661 30.300 -0.030 0.000 0.877 49 R HN 0.026 nan 8.270 nan 0.000 0.441 50 D N 0.007 120.438 120.400 0.052 0.000 2.133 50 D HA -0.208 4.424 4.640 -0.012 0.000 0.195 50 D C 1.646 177.956 176.300 0.017 0.000 0.997 50 D CA 1.401 55.399 54.000 -0.004 0.000 0.840 50 D CB -0.300 40.360 40.800 -0.234 0.000 0.947 50 D HN 0.295 nan 8.370 nan 0.000 0.452 51 Y N -0.054 120.326 120.300 0.134 0.000 2.200 51 Y HA -0.195 4.347 4.550 -0.012 0.000 0.290 51 Y C 2.336 178.359 175.900 0.206 0.000 1.137 51 Y CA 0.372 58.597 58.100 0.209 0.000 1.163 51 Y CB -1.207 37.431 38.460 0.296 0.000 0.988 51 Y HN 0.084 nan 8.280 nan 0.000 0.518 52 Y N -0.470 119.955 120.300 0.208 0.000 2.128 52 Y HA -0.307 4.235 4.550 -0.013 0.000 0.284 52 Y C 2.030 177.939 175.900 0.015 0.000 1.154 52 Y CA 1.443 59.578 58.100 0.059 0.000 1.149 52 Y CB -1.142 37.242 38.460 -0.127 0.000 0.976 52 Y HN 0.076 nan 8.280 nan 0.000 0.505 53 F N -0.017 119.765 119.950 -0.281 0.000 2.186 53 F HA -0.136 4.383 4.527 -0.012 0.000 0.299 53 F C 2.621 178.254 175.800 -0.279 0.000 1.090 53 F CA 0.851 58.615 58.000 -0.393 0.000 1.307 53 F CB -0.578 38.330 39.000 -0.153 0.000 1.019 53 F HN 0.214 nan 8.300 nan 0.000 0.489 54 A N -0.104 122.652 122.820 -0.107 0.000 1.902 54 A HA -0.194 4.119 4.320 -0.012 0.000 0.217 54 A C 2.015 179.467 177.584 -0.220 0.000 1.181 54 A CA 1.508 53.347 52.037 -0.330 0.000 0.623 54 A CB -0.945 17.552 19.000 -0.838 0.000 0.818 54 A HN 0.345 nan 8.150 nan 0.000 0.443 55 L N -0.273 120.944 121.223 -0.009 0.000 2.056 55 L HA 0.000 4.333 4.340 -0.012 0.000 0.207 55 L C 2.666 179.562 176.870 0.042 0.000 1.078 55 L CA 2.136 57.112 54.840 0.227 0.000 0.749 55 L CB -0.941 41.333 42.059 0.358 0.000 0.901 55 L HN 0.337 nan 8.230 nan 0.000 0.433 56 A N -1.395 121.303 122.820 -0.204 0.000 1.902 56 A HA -0.268 4.044 4.320 -0.012 0.000 0.217 56 A C 2.131 179.439 177.584 -0.461 0.000 1.181 56 A CA 1.914 53.738 52.037 -0.355 0.000 0.623 56 A CB -1.009 17.518 19.000 -0.789 0.000 0.818 56 A HN 0.653 nan 8.150 nan 0.000 0.443 57 H N -0.695 118.091 119.070 -0.474 0.000 2.389 57 H HA -0.050 4.498 4.556 -0.012 0.000 0.299 57 H C 2.335 177.407 175.328 -0.427 0.000 1.081 57 H CA 2.021 57.695 56.048 -0.623 0.000 1.345 57 H CB -0.242 28.872 29.762 -1.081 0.000 1.393 57 H HN 0.455 nan 8.280 nan 0.000 0.520 58 T N -0.375 114.146 114.554 -0.055 0.000 2.746 58 T HA -0.126 4.216 4.350 -0.012 0.000 0.267 58 T C 2.262 177.132 174.700 0.283 0.000 1.039 58 T CA 1.352 63.582 62.100 0.217 0.000 1.142 58 T CB -0.393 68.668 68.868 0.322 0.000 0.866 58 T HN 0.086 nan 8.240 nan 0.000 0.444 59 V N 1.946 121.998 119.914 0.230 0.000 2.307 59 V HA -0.125 3.988 4.120 -0.012 0.000 0.245 59 V C 2.697 178.974 176.094 0.305 0.000 1.045 59 V CA 1.568 64.040 62.300 0.288 0.000 1.024 59 V CB -0.655 31.334 31.823 0.277 0.000 0.651 59 V HN 0.392 nan 8.190 nan 0.000 0.449 60 R N 0.404 121.023 120.500 0.198 0.000 2.117 60 R HA -0.252 4.080 4.340 -0.012 0.000 0.243 60 R C 1.880 178.264 176.300 0.139 0.000 1.143 60 R CA 2.310 58.509 56.100 0.166 0.000 0.968 60 R CB -0.716 29.478 30.300 -0.177 0.000 0.863 60 R HN 0.468 nan 8.270 nan 0.000 0.444 61 D N 0.176 120.639 120.400 0.106 0.000 2.158 61 D HA -0.178 4.454 4.640 -0.012 0.000 0.197 61 D C 1.715 178.023 176.300 0.013 0.000 0.995 61 D CA 1.178 55.216 54.000 0.063 0.000 0.846 61 D CB -0.458 40.369 40.800 0.046 0.000 0.941 61 D HN 0.503 nan 8.370 nan 0.000 0.456 62 H N -0.420 118.708 119.070 0.096 0.000 2.546 62 H HA 0.057 4.606 4.556 -0.012 0.000 0.277 62 H C 2.086 177.454 175.328 0.067 0.000 1.004 62 H CA 0.279 56.371 56.048 0.074 0.000 1.231 62 H CB 0.363 30.162 29.762 0.062 0.000 1.382 62 H HN 0.212 nan 8.280 nan 0.000 0.580 63 L N 0.525 121.858 121.223 0.183 0.000 2.270 63 L HA -0.087 4.246 4.340 -0.012 0.000 0.210 63 L C 2.736 179.719 176.870 0.188 0.000 1.104 63 L CA 0.301 55.221 54.840 0.133 0.000 0.804 63 L CB -0.105 42.004 42.059 0.082 0.000 0.937 63 L HN 0.113 nan 8.230 nan 0.000 0.450 64 V N -2.055 117.975 119.914 0.193 0.000 2.295 64 V HA -0.094 4.018 4.120 -0.012 0.000 0.246 64 V C 2.290 178.481 176.094 0.160 0.000 1.049 64 V CA 1.979 64.412 62.300 0.222 0.000 1.024 64 V CB -1.568 30.341 31.823 0.143 0.000 0.648 64 V HN 0.335 nan 8.190 nan 0.000 0.447 65 G N 0.518 109.376 108.800 0.095 0.000 2.459 65 G HA2 -0.259 3.693 3.960 -0.012 0.000 0.217 65 G HA3 -0.259 3.693 3.960 -0.012 0.000 0.217 65 G C 1.744 176.686 174.900 0.069 0.000 1.183 65 G CA 1.091 46.226 45.100 0.058 0.000 0.776 65 G HN 0.563 nan 8.290 nan 0.000 0.552 66 R N -1.439 119.111 120.500 0.082 0.000 2.096 66 R HA -0.083 4.250 4.340 -0.012 0.000 0.235 66 R C 2.281 178.660 176.300 0.130 0.000 1.127 66 R CA 1.226 57.364 56.100 0.064 0.000 0.968 66 R CB -0.383 29.938 30.300 0.036 0.000 0.861 66 R HN 0.482 nan 8.270 nan 0.000 0.440 67 W N 1.609 122.887 121.300 -0.037 0.000 2.355 67 W HA -0.055 4.598 4.660 -0.012 0.000 0.309 67 W C 1.769 178.259 176.519 -0.048 0.000 1.206 67 W CA 0.835 58.156 57.345 -0.041 0.000 1.284 67 W CB -0.628 28.826 29.460 -0.010 0.000 1.145 67 W HN -0.045 nan 8.180 nan 0.000 0.502 68 I N 1.076 121.699 120.570 0.088 0.000 2.226 68 I HA -0.365 3.798 4.170 -0.012 0.000 0.245 68 I C 2.669 178.770 176.117 -0.027 0.000 1.100 68 I CA 2.000 63.273 61.300 -0.046 0.000 1.374 68 I CB -0.559 37.414 38.000 -0.045 0.000 1.057 68 I HN -0.007 nan 8.210 nan 0.000 0.413 69 R N 0.114 120.612 120.500 -0.002 0.000 2.115 69 R HA -0.041 4.291 4.340 -0.012 0.000 0.226 69 R C 2.027 178.293 176.300 -0.056 0.000 1.100 69 R CA 1.538 57.627 56.100 -0.018 0.000 0.980 69 R CB -1.331 28.959 30.300 -0.017 0.000 0.875 69 R HN 0.204 nan 8.270 nan 0.000 0.445 70 T N 1.892 116.391 114.554 -0.092 0.000 2.652 70 T HA -0.136 4.207 4.350 -0.012 0.000 0.267 70 T C 1.894 176.334 174.700 -0.433 0.000 1.039 70 T CA 1.532 63.467 62.100 -0.276 0.000 1.153 70 T CB -0.145 68.596 68.868 -0.211 0.000 0.863 70 T HN 0.246 nan 8.240 nan 0.000 0.428 71 Q N 0.625 120.309 119.800 -0.192 0.000 2.167 71 Q HA -0.066 4.267 4.340 -0.012 0.000 0.202 71 Q C 2.363 178.377 176.000 0.024 0.000 0.970 71 Q CA 1.196 56.953 55.803 -0.075 0.000 0.855 71 Q CB -0.479 28.261 28.738 0.003 0.000 0.911 71 Q HN 0.480 nan 8.270 nan 0.000 0.438 72 Q N 0.171 119.975 119.800 0.006 0.000 2.084 72 Q HA -0.186 4.146 4.340 -0.012 0.000 0.202 72 Q C 1.895 177.980 176.000 0.143 0.000 0.978 72 Q CA 1.904 57.749 55.803 0.069 0.000 0.844 72 Q CB -0.356 28.398 28.738 0.026 0.000 0.898 72 Q HN 0.565 nan 8.270 nan 0.000 0.426 73 H N -1.100 117.949 119.070 -0.035 0.000 2.319 73 H HA -0.177 4.372 4.556 -0.012 0.000 0.299 73 H C 1.153 176.556 175.328 0.125 0.000 1.092 73 H CA 2.216 58.260 56.048 -0.008 0.000 1.302 73 H CB -0.258 29.439 29.762 -0.109 0.000 1.373 73 H HN 0.348 nan 8.280 nan 0.000 0.497 74 Y N -1.029 119.331 120.300 0.099 0.000 2.274 74 Y HA -0.196 4.346 4.550 -0.013 0.000 0.290 74 Y C 2.403 178.332 175.900 0.049 0.000 1.145 74 Y CA 1.011 59.135 58.100 0.041 0.000 1.203 74 Y CB -1.347 37.190 38.460 0.129 0.000 0.984 74 Y HN 0.392 nan 8.280 nan 0.000 0.533 75 Y N 1.166 121.549 120.300 0.138 0.000 2.200 75 Y HA -0.149 4.394 4.550 -0.013 0.000 0.290 75 Y C 2.072 177.984 175.900 0.020 0.000 1.137 75 Y CA 1.675 59.821 58.100 0.076 0.000 1.163 75 Y CB 0.063 38.560 38.460 0.063 0.000 0.988 75 Y HN 0.007 nan 8.280 nan 0.000 0.518 76 E N 0.299 120.538 120.200 0.065 0.000 2.076 76 E HA -0.117 4.226 4.350 -0.012 0.000 0.190 76 E C 1.894 178.421 176.600 -0.122 0.000 0.979 76 E CA 1.016 57.397 56.400 -0.032 0.000 0.807 76 E CB -0.179 29.550 29.700 0.047 0.000 0.761 76 E HN 0.508 nan 8.360 nan 0.000 0.454 77 K N 0.669 120.969 120.400 -0.166 0.000 2.305 77 K HA -0.060 4.252 4.320 -0.012 0.000 0.199 77 K C -0.032 176.500 176.600 -0.114 0.000 1.047 77 K CA 0.404 56.590 56.287 -0.169 0.000 0.976 77 K CB 0.076 32.401 32.500 -0.292 0.000 0.765 77 K HN -0.032 nan 8.250 nan 0.000 0.474 78 D N 1.049 121.388 120.400 -0.102 0.000 2.697 78 D HA -0.099 4.534 4.640 -0.012 0.000 0.238 78 D C -2.437 173.826 176.300 -0.062 0.000 1.152 78 D CA 0.093 54.041 54.000 -0.087 0.000 0.666 78 D CB -0.125 40.594 40.800 -0.135 0.000 1.037 78 D HN 0.170 nan 8.370 nan 0.000 0.423 79 P HA 0.102 nan 4.420 nan 0.000 0.277 79 P C -0.158 177.093 177.300 -0.083 0.000 1.271 79 P CA -0.590 62.468 63.100 -0.070 0.000 0.795 79 P CB 0.595 32.240 31.700 -0.091 0.000 1.101 80 K N 1.025 121.379 120.400 -0.077 0.000 2.451 80 K HA 0.056 4.369 4.320 -0.012 0.000 0.280 80 K C -0.084 176.417 176.600 -0.165 0.000 1.020 80 K CA -0.003 56.229 56.287 -0.092 0.000 1.008 80 K CB 0.175 32.639 32.500 -0.060 0.000 0.917 80 K HN 0.239 nan 8.250 nan 0.000 0.478 81 R N 3.693 124.075 120.500 -0.196 0.000 2.368 81 R HA 0.324 4.657 4.340 -0.012 0.000 0.302 81 R C -0.517 175.479 176.300 -0.506 0.000 1.002 81 R CA -0.481 55.413 56.100 -0.345 0.000 0.929 81 R CB 0.794 30.886 30.300 -0.347 0.000 1.073 81 R HN 0.499 nan 8.270 nan 0.000 0.464 82 I N 4.433 124.657 120.570 -0.577 0.000 2.321 82 I HA 0.200 4.362 4.170 -0.012 0.000 0.291 82 I C -0.606 175.177 176.117 -0.557 0.000 0.998 82 I CA -0.828 60.080 61.300 -0.653 0.000 1.227 82 I CB 0.772 38.251 38.000 -0.868 0.000 1.368 82 I HN 0.528 nan 8.210 nan 0.000 0.466 83 Y N 5.942 126.197 120.300 -0.075 0.000 2.402 83 Y HA 0.274 4.817 4.550 -0.012 0.000 0.332 83 Y C -0.234 175.765 175.900 0.166 0.000 0.960 83 Y CA -0.744 57.436 58.100 0.132 0.000 1.228 83 Y CB 0.927 39.420 38.460 0.054 0.000 1.120 83 Y HN 0.402 nan 8.280 nan 0.000 0.491 84 Y N 4.545 125.017 120.300 0.287 0.000 2.535 84 Y HA 0.448 4.991 4.550 -0.012 0.000 0.349 84 Y C -1.120 175.038 175.900 0.430 0.000 0.992 84 Y CA -0.857 57.423 58.100 0.300 0.000 1.248 84 Y CB 0.215 38.852 38.460 0.295 0.000 1.124 84 Y HN 0.510 nan 8.280 nan 0.000 0.520 85 L N 5.004 126.295 121.223 0.112 0.000 2.265 85 L HA 0.447 4.779 4.340 -0.012 0.000 0.288 85 L C -0.182 176.734 176.870 0.076 0.000 1.058 85 L CA 0.231 55.192 54.840 0.202 0.000 0.809 85 L CB 1.262 43.399 42.059 0.130 0.000 1.179 85 L HN 0.568 nan 8.230 nan 0.000 0.429 86 S N 2.439 118.279 115.700 0.233 0.000 2.536 86 S HA 0.477 4.940 4.470 -0.012 0.000 0.271 86 S C 0.315 175.044 174.600 0.216 0.000 1.134 86 S CA -0.529 57.705 58.200 0.056 0.000 0.897 86 S CB 1.036 64.021 63.200 -0.358 0.000 1.094 86 S HN 0.478 nan 8.310 nan 0.000 0.473 87 L N 2.837 124.204 121.223 0.239 0.000 2.599 87 L HA 0.407 4.739 4.340 -0.012 0.000 0.230 87 L C 0.391 177.465 176.870 0.340 0.000 1.141 87 L CA 1.070 56.108 54.840 0.329 0.000 0.877 87 L CB -0.057 42.198 42.059 0.327 0.000 1.009 87 L HN 0.636 nan 8.230 nan 0.000 0.447 88 E N -1.202 119.075 120.200 0.129 0.000 2.275 88 E HA 0.384 4.727 4.350 -0.012 0.000 0.270 88 E C -1.392 175.078 176.600 -0.216 0.000 0.882 88 E CA -0.422 56.023 56.400 0.075 0.000 0.758 88 E CB 1.765 31.480 29.700 0.026 0.000 1.195 88 E HN -0.157 nan 8.360 nan 0.000 0.419 89 F N 2.323 122.369 119.950 0.160 0.000 2.771 89 F HA 0.174 4.693 4.527 -0.013 0.000 0.365 89 F C -0.807 175.064 175.800 0.118 0.000 1.169 89 F CA -0.774 57.306 58.000 0.134 0.000 1.093 89 F CB 0.924 39.995 39.000 0.119 0.000 1.363 89 F HN 0.481 nan 8.300 nan 0.000 0.496 90 Y N 5.249 125.604 120.300 0.091 0.000 2.714 90 Y HA 0.231 4.774 4.550 -0.012 0.000 0.333 90 Y C 0.891 176.796 175.900 0.009 0.000 1.220 90 Y CA -1.074 57.033 58.100 0.012 0.000 1.513 90 Y CB 0.381 38.828 38.460 -0.022 0.000 1.435 90 Y HN 0.547 nan 8.280 nan 0.000 0.489 91 M N 1.753 121.489 119.600 0.227 0.000 2.334 91 M HA 0.128 4.600 4.480 -0.012 0.000 0.266 91 M C 1.543 177.822 176.300 -0.035 0.000 1.082 91 M CA 1.095 56.432 55.300 0.062 0.000 1.141 91 M CB -1.197 31.415 32.600 0.019 0.000 1.380 91 M HN 0.708 nan 8.290 nan 0.000 0.440 92 G N 1.190 109.989 108.800 -0.002 0.000 2.562 92 G HA2 -0.265 3.687 3.960 -0.012 0.000 0.250 92 G HA3 -0.265 3.687 3.960 -0.012 0.000 0.250 92 G C -0.276 174.584 174.900 -0.067 0.000 1.269 92 G CA -0.350 44.706 45.100 -0.074 0.000 0.919 92 G HN 0.431 nan 8.290 nan 0.000 0.574 93 R N -0.667 119.773 120.500 -0.099 0.000 2.531 93 R HA 0.574 4.907 4.340 -0.012 0.000 0.273 93 R C 1.081 177.267 176.300 -0.190 0.000 1.070 93 R CA 0.298 56.348 56.100 -0.083 0.000 1.112 93 R CB 0.747 31.009 30.300 -0.064 0.000 1.049 93 R HN 0.523 nan 8.270 nan 0.000 0.508 94 T N 1.205 115.590 114.554 -0.281 0.000 2.990 94 T HA -0.009 4.333 4.350 -0.012 0.000 0.249 94 T C 1.422 175.739 174.700 -0.639 0.000 1.039 94 T CA -0.116 61.610 62.100 -0.623 0.000 1.036 94 T CB 0.142 68.286 68.868 -1.207 0.000 0.994 94 T HN 0.309 nan 8.240 nan 0.000 0.489 95 L N 1.938 123.003 121.223 -0.264 0.000 1.976 95 L HA -0.007 4.326 4.340 -0.012 0.000 0.209 95 L C 2.480 179.322 176.870 -0.047 0.000 1.071 95 L CA 2.002 56.853 54.840 0.019 0.000 0.746 95 L CB -0.736 41.552 42.059 0.381 0.000 0.890 95 L HN 0.173 nan 8.230 nan 0.000 0.432 96 Q N -0.708 119.063 119.800 -0.048 0.000 2.084 96 Q HA -0.260 4.072 4.340 -0.012 0.000 0.202 96 Q C 2.236 178.167 176.000 -0.115 0.000 0.978 96 Q CA 1.953 57.719 55.803 -0.063 0.000 0.844 96 Q CB -0.332 28.366 28.738 -0.066 0.000 0.898 96 Q HN 0.704 nan 8.270 nan 0.000 0.426 97 N N -1.075 117.516 118.700 -0.181 0.000 2.104 97 N HA -0.149 4.584 4.740 -0.012 0.000 0.190 97 N C 1.368 176.773 175.510 -0.176 0.000 1.024 97 N CA 1.787 54.720 53.050 -0.195 0.000 0.853 97 N CB 0.054 38.390 38.487 -0.251 0.000 1.008 97 N HN 0.237 nan 8.380 nan 0.000 0.424 98 T N 1.276 115.692 114.554 -0.229 0.000 2.746 98 T HA -0.070 4.273 4.350 -0.012 0.000 0.267 98 T C 2.062 176.703 174.700 -0.098 0.000 1.039 98 T CA 1.131 63.116 62.100 -0.191 0.000 1.142 98 T CB -0.085 68.629 68.868 -0.256 0.000 0.866 98 T HN 0.269 nan 8.240 nan 0.000 0.444 99 M N 0.540 120.100 119.600 -0.068 0.000 2.117 99 M HA -0.081 4.392 4.480 -0.012 0.000 0.262 99 M C 2.484 178.752 176.300 -0.053 0.000 1.065 99 M CA 1.209 56.482 55.300 -0.046 0.000 1.114 99 M CB -0.617 31.973 32.600 -0.017 0.000 1.361 99 M HN 0.090 nan 8.290 nan 0.000 0.408 100 V N 0.895 120.783 119.914 -0.044 0.000 2.295 100 V HA -0.270 3.843 4.120 -0.012 0.000 0.246 100 V C 1.683 177.788 176.094 0.019 0.000 1.049 100 V CA 2.019 64.319 62.300 -0.000 0.000 1.024 100 V CB -0.821 31.004 31.823 0.004 0.000 0.648 100 V HN 0.474 nan 8.190 nan 0.000 0.447 101 N N -0.503 118.193 118.700 -0.007 0.000 2.457 101 N HA -0.020 4.712 4.740 -0.012 0.000 0.180 101 N C 1.044 176.459 175.510 -0.158 0.000 1.050 101 N CA 0.556 53.583 53.050 -0.037 0.000 0.906 101 N CB -0.030 38.446 38.487 -0.018 0.000 0.968 101 N HN 0.263 nan 8.380 nan 0.000 0.445 102 L N -0.230 120.918 121.223 -0.125 0.000 2.640 102 L HA 0.405 4.738 4.340 -0.012 0.000 0.230 102 L C 0.608 177.394 176.870 -0.141 0.000 1.123 102 L CA -0.216 54.548 54.840 -0.126 0.000 0.900 102 L CB -0.806 41.199 42.059 -0.090 0.000 1.146 102 L HN 0.110 nan 8.230 nan 0.000 0.484 103 A N -0.624 122.109 122.820 -0.145 0.000 2.869 103 A HA -0.232 4.081 4.320 -0.012 0.000 0.280 103 A C 1.260 178.787 177.584 -0.096 0.000 1.458 103 A CA 1.197 53.160 52.037 -0.123 0.000 0.776 103 A CB -2.046 16.867 19.000 -0.145 0.000 1.028 103 A HN 0.333 nan 8.150 nan 0.000 0.547 104 L N -1.481 119.686 121.223 -0.094 0.000 2.616 104 L HA 0.128 4.461 4.340 -0.012 0.000 0.229 104 L C 2.026 178.862 176.870 -0.058 0.000 1.110 104 L CA 0.791 55.572 54.840 -0.100 0.000 0.884 104 L CB 0.015 41.985 42.059 -0.149 0.000 1.115 104 L HN 0.657 nan 8.230 nan 0.000 0.481 105 E N 0.729 120.904 120.200 -0.040 0.000 2.058 105 E HA -0.238 4.105 4.350 -0.012 0.000 0.194 105 E C 1.686 178.276 176.600 -0.016 0.000 0.997 105 E CA 1.340 57.727 56.400 -0.021 0.000 0.801 105 E CB 0.252 29.942 29.700 -0.017 0.000 0.746 105 E HN 0.405 nan 8.360 nan 0.000 0.450 106 N N 0.061 118.748 118.700 -0.021 0.000 2.142 106 N HA -0.102 4.631 4.740 -0.012 0.000 0.186 106 N C 1.577 177.078 175.510 -0.016 0.000 1.023 106 N CA 1.201 54.239 53.050 -0.020 0.000 0.852 106 N CB -0.371 38.103 38.487 -0.021 0.000 0.998 106 N HN 0.211 nan 8.380 nan 0.000 0.424 107 A N 0.454 123.262 122.820 -0.020 0.000 1.883 107 A HA -0.163 4.150 4.320 -0.012 0.000 0.217 107 A C 2.661 180.243 177.584 -0.002 0.000 1.186 107 A CA 1.459 53.488 52.037 -0.013 0.000 0.624 107 A CB -1.052 17.933 19.000 -0.026 0.000 0.822 107 A HN 0.448 nan 8.150 nan 0.000 0.444 108 C N -0.914 118.384 119.300 -0.003 0.000 2.440 108 C HA -0.062 4.391 4.460 -0.012 0.000 0.278 108 C C 2.464 177.461 174.990 0.012 0.000 1.295 108 C CA 1.032 60.060 59.018 0.016 0.000 1.738 108 C CB -1.133 26.629 27.740 0.035 0.000 1.987 108 C HN 0.672 nan 8.230 nan 0.000 0.492 109 D N 0.702 121.107 120.400 0.009 0.000 2.104 109 D HA -0.143 4.489 4.640 -0.012 0.000 0.194 109 D C 2.133 178.451 176.300 0.030 0.000 0.994 109 D CA 1.512 55.517 54.000 0.009 0.000 0.830 109 D CB -0.253 40.539 40.800 -0.012 0.000 0.959 109 D HN 0.466 nan 8.370 nan 0.000 0.452 110 E N 0.390 120.605 120.200 0.025 0.000 2.031 110 E HA -0.073 4.270 4.350 -0.012 0.000 0.193 110 E C 1.908 178.551 176.600 0.072 0.000 0.994 110 E CA 1.685 58.126 56.400 0.068 0.000 0.800 110 E CB -0.638 29.085 29.700 0.039 0.000 0.752 110 E HN 0.193 nan 8.360 nan 0.000 0.447 111 A N -0.112 122.717 122.820 0.016 0.000 1.892 111 A HA -0.255 4.058 4.320 -0.012 0.000 0.218 111 A C 2.518 180.032 177.584 -0.117 0.000 1.188 111 A CA 3.188 55.207 52.037 -0.031 0.000 0.631 111 A CB -1.544 17.446 19.000 -0.017 0.000 0.822 111 A HN 0.541 nan 8.150 nan 0.000 0.447 112 T N -3.917 110.561 114.554 -0.128 0.000 2.857 112 T HA -0.183 4.160 4.350 -0.012 0.000 0.266 112 T C 1.853 176.471 174.700 -0.138 0.000 1.048 112 T CA 1.469 63.427 62.100 -0.237 0.000 1.139 112 T CB -0.589 68.171 68.868 -0.180 0.000 0.874 112 T HN 0.469 nan 8.240 nan 0.000 0.455 113 Y N 2.196 122.415 120.300 -0.135 0.000 2.128 113 Y HA -0.127 4.416 4.550 -0.012 0.000 0.284 113 Y C 2.630 178.470 175.900 -0.101 0.000 1.154 113 Y CA 1.658 59.698 58.100 -0.099 0.000 1.149 113 Y CB -0.606 37.816 38.460 -0.064 0.000 0.976 113 Y HN 0.247 nan 8.280 nan 0.000 0.505 114 Q N -0.898 118.785 119.800 -0.195 0.000 2.226 114 Q HA -0.142 4.191 4.340 -0.012 0.000 0.204 114 Q C 1.661 177.517 176.000 -0.240 0.000 0.975 114 Q CA 1.116 56.769 55.803 -0.249 0.000 0.866 114 Q CB -0.120 28.561 28.738 -0.095 0.000 0.915 114 Q HN 0.364 nan 8.270 nan 0.000 0.440 115 L N -0.949 120.129 121.223 -0.242 0.000 2.599 115 L HA 0.105 4.438 4.340 -0.012 0.000 0.230 115 L C 1.149 177.862 176.870 -0.263 0.000 1.141 115 L CA 1.331 56.017 54.840 -0.257 0.000 0.877 115 L CB -0.419 41.403 42.059 -0.396 0.000 1.009 115 L HN 0.332 nan 8.230 nan 0.000 0.447 116 G N -0.275 108.358 108.800 -0.277 0.000 2.149 116 G HA2 -0.234 3.719 3.960 -0.012 0.000 0.235 116 G HA3 -0.234 3.719 3.960 -0.012 0.000 0.235 116 G C -0.017 174.759 174.900 -0.205 0.000 1.018 116 G CA 0.194 45.151 45.100 -0.238 0.000 0.728 116 G HN 0.271 nan 8.290 nan 0.000 0.508 117 L N -0.224 120.875 121.223 -0.205 0.000 2.370 117 L HA 0.566 4.899 4.340 -0.012 0.000 0.266 117 L C -0.688 176.152 176.870 -0.050 0.000 1.002 117 L CA -1.202 53.538 54.840 -0.167 0.000 0.818 117 L CB 1.989 43.876 42.059 -0.287 0.000 1.325 117 L HN 0.069 nan 8.230 nan 0.000 0.418 118 D N 2.300 122.697 120.400 -0.004 0.000 2.313 118 D HA 0.160 4.793 4.640 -0.012 0.000 0.239 118 D C 0.645 176.970 176.300 0.042 0.000 1.142 118 D CA -0.140 53.883 54.000 0.038 0.000 0.847 118 D CB 1.572 42.400 40.800 0.046 0.000 1.082 118 D HN 0.527 nan 8.370 nan 0.000 0.480 119 M N 3.266 122.892 119.600 0.044 0.000 2.159 119 M HA -0.161 4.312 4.480 -0.012 0.000 0.263 119 M C 1.489 177.832 176.300 0.072 0.000 1.063 119 M CA 1.520 56.858 55.300 0.063 0.000 1.110 119 M CB 0.175 32.806 32.600 0.052 0.000 1.374 119 M HN 0.443 nan 8.290 nan 0.000 0.411 120 E N -0.220 120.012 120.200 0.053 0.000 2.118 120 E HA -0.273 4.070 4.350 -0.012 0.000 0.195 120 E C 1.876 178.511 176.600 0.058 0.000 0.992 120 E CA 1.531 57.961 56.400 0.050 0.000 0.804 120 E CB -0.138 29.587 29.700 0.042 0.000 0.741 120 E HN 0.612 nan 8.360 nan 0.000 0.458 121 E N 0.243 120.481 120.200 0.063 0.000 2.072 121 E HA -0.190 4.153 4.350 -0.012 0.000 0.191 121 E C 1.990 178.635 176.600 0.076 0.000 0.985 121 E CA 0.537 56.976 56.400 0.065 0.000 0.801 121 E CB 0.157 29.896 29.700 0.064 0.000 0.750 121 E HN 0.084 nan 8.360 nan 0.000 0.452 122 L N 1.551 122.840 121.223 0.110 0.000 2.046 122 L HA -0.171 4.161 4.340 -0.012 0.000 0.208 122 L C 2.092 179.040 176.870 0.130 0.000 1.077 122 L CA 1.671 56.613 54.840 0.170 0.000 0.747 122 L CB -0.703 41.504 42.059 0.245 0.000 0.896 122 L HN 0.145 nan 8.230 nan 0.000 0.432 123 E N -0.747 119.518 120.200 0.108 0.000 2.118 123 E HA -0.209 4.133 4.350 -0.012 0.000 0.195 123 E C 1.875 178.455 176.600 -0.034 0.000 0.992 123 E CA 0.936 57.373 56.400 0.062 0.000 0.804 123 E CB -0.018 29.717 29.700 0.059 0.000 0.741 123 E HN 0.415 nan 8.360 nan 0.000 0.458 124 E N 0.274 120.464 120.200 -0.016 0.000 2.338 124 E HA -0.112 4.230 4.350 -0.012 0.000 0.197 124 E C 1.901 178.453 176.600 -0.079 0.000 1.007 124 E CA 0.521 56.909 56.400 -0.019 0.000 0.849 124 E CB 0.017 29.738 29.700 0.034 0.000 0.774 124 E HN 0.417 nan 8.360 nan 0.000 0.506 125 I N 0.839 121.306 120.570 -0.173 0.000 2.439 125 I HA -0.128 4.034 4.170 -0.012 0.000 0.251 125 I C 1.425 177.269 176.117 -0.454 0.000 1.139 125 I CA 0.333 61.465 61.300 -0.281 0.000 1.438 125 I CB 0.033 37.866 38.000 -0.278 0.000 1.085 125 I HN -0.012 nan 8.210 nan 0.000 0.427 126 E N 2.763 122.568 120.200 -0.659 0.000 2.415 126 E HA -0.051 4.291 4.350 -0.012 0.000 0.263 126 E C -0.229 176.304 176.600 -0.112 0.000 0.995 126 E CA -0.124 55.963 56.400 -0.522 0.000 0.915 126 E CB 0.569 30.083 29.700 -0.309 0.000 0.951 126 E HN 0.120 nan 8.360 nan 0.000 0.449 127 E N 3.520 123.747 120.200 0.044 0.000 2.338 127 E HA 0.045 4.387 4.350 -0.012 0.000 0.272 127 E C -0.770 175.937 176.600 0.178 0.000 1.029 127 E CA -0.255 56.241 56.400 0.159 0.000 0.872 127 E CB 0.707 30.579 29.700 0.287 0.000 1.015 127 E HN 0.482 nan 8.360 nan 0.000 0.417 128 D N 0.977 121.448 120.400 0.117 0.000 2.488 128 D HA 0.094 4.727 4.640 -0.012 0.000 0.238 128 D C -0.249 176.075 176.300 0.040 0.000 1.138 128 D CA 0.289 54.334 54.000 0.075 0.000 0.873 128 D CB 0.518 41.354 40.800 0.061 0.000 1.183 128 D HN 0.379 nan 8.370 nan 0.000 0.458 129 A N 2.471 125.259 122.820 -0.055 0.000 2.544 129 A HA 0.459 4.771 4.320 -0.012 0.000 0.301 129 A C 1.066 178.451 177.584 -0.332 0.000 1.368 129 A CA -0.331 51.425 52.037 -0.469 0.000 1.045 129 A CB -0.249 18.551 19.000 -0.333 0.000 1.129 129 A HN 0.550 nan 8.150 nan 0.000 0.540 130 G N 2.238 110.768 108.800 -0.450 0.000 3.741 130 G HA2 0.417 4.370 3.960 -0.012 0.000 0.263 130 G HA3 0.417 4.370 3.960 -0.012 0.000 0.263 130 G C 0.303 174.874 174.900 -0.548 0.000 1.175 130 G CA -0.297 44.575 45.100 -0.380 0.000 1.642 130 G HN 0.699 nan 8.290 nan 0.000 0.644 131 L N 1.239 122.223 121.223 -0.398 0.000 2.888 131 L HA 0.391 4.723 4.340 -0.012 0.000 0.237 131 L C 1.055 177.843 176.870 -0.136 0.000 1.288 131 L CA -0.199 54.540 54.840 -0.168 0.000 1.110 131 L CB -0.247 41.840 42.059 0.046 0.000 1.441 131 L HN 0.344 nan 8.230 nan 0.000 0.474 132 G N -1.326 107.179 108.800 -0.491 0.000 2.608 132 G HA2 0.188 4.141 3.960 -0.012 0.000 0.291 132 G HA3 0.188 4.141 3.960 -0.012 0.000 0.291 132 G C -0.183 174.364 174.900 -0.589 0.000 1.425 132 G CA -0.449 44.421 45.100 -0.383 0.000 0.787 132 G HN -0.101 nan 8.290 nan 0.000 0.484 133 N N -0.848 117.706 118.700 -0.244 0.000 2.436 133 N HA 0.205 4.937 4.740 -0.012 0.000 0.178 133 N C 1.122 176.668 175.510 0.061 0.000 1.026 133 N CA 1.262 54.226 53.050 -0.142 0.000 0.880 133 N CB 1.244 39.698 38.487 -0.054 0.000 1.061 133 N HN 0.791 nan 8.380 nan 0.000 0.434 134 G N -0.689 108.208 108.800 0.162 0.000 2.929 134 G HA2 0.250 4.203 3.960 -0.012 0.000 0.123 134 G HA3 0.250 4.203 3.960 -0.012 0.000 0.123 134 G C 0.652 175.635 174.900 0.138 0.000 1.212 134 G CA 0.266 45.485 45.100 0.198 0.000 1.238 134 G HN 0.151 nan 8.290 nan 0.000 0.617 135 G N 0.261 109.099 108.800 0.064 0.000 2.418 135 G HA2 -0.005 3.948 3.960 -0.012 0.000 0.217 135 G HA3 -0.005 3.948 3.960 -0.012 0.000 0.217 135 G C 1.860 176.734 174.900 -0.043 0.000 1.158 135 G CA 1.370 46.473 45.100 0.005 0.000 0.771 135 G HN 0.685 nan 8.290 nan 0.000 0.545 136 L N 0.670 121.849 121.223 -0.074 0.000 2.017 136 L HA 0.080 4.413 4.340 -0.012 0.000 0.208 136 L C 2.818 179.598 176.870 -0.150 0.000 1.073 136 L CA 2.060 56.772 54.840 -0.213 0.000 0.745 136 L CB -0.582 41.311 42.059 -0.277 0.000 0.894 136 L HN 0.221 nan 8.230 nan 0.000 0.432 137 G N -0.589 108.189 108.800 -0.037 0.000 2.402 137 G HA2 -0.305 3.647 3.960 -0.012 0.000 0.216 137 G HA3 -0.305 3.647 3.960 -0.012 0.000 0.216 137 G C 1.663 176.605 174.900 0.070 0.000 1.162 137 G CA 0.690 45.799 45.100 0.015 0.000 0.777 137 G HN 0.290 nan 8.290 nan 0.000 0.539 138 R N 0.398 120.956 120.500 0.096 0.000 2.092 138 R HA 0.092 4.424 4.340 -0.012 0.000 0.231 138 R C 2.338 178.619 176.300 -0.031 0.000 1.119 138 R CA 0.950 57.081 56.100 0.052 0.000 0.970 138 R CB -1.177 29.116 30.300 -0.011 0.000 0.864 138 R HN 0.344 nan 8.270 nan 0.000 0.440 139 L N 0.469 121.606 121.223 -0.143 0.000 2.042 139 L HA -0.016 4.317 4.340 -0.012 0.000 0.210 139 L C 2.132 178.690 176.870 -0.520 0.000 1.076 139 L CA 2.191 56.807 54.840 -0.374 0.000 0.749 139 L CB -0.830 40.967 42.059 -0.438 0.000 0.893 139 L HN 0.246 nan 8.230 nan 0.000 0.432 140 A N -0.692 121.953 122.820 -0.292 0.000 1.933 140 A HA -0.116 4.196 4.320 -0.012 0.000 0.218 140 A C 2.424 180.017 177.584 0.015 0.000 1.175 140 A CA 1.737 53.654 52.037 -0.200 0.000 0.628 140 A CB -1.047 17.775 19.000 -0.296 0.000 0.814 140 A HN 0.563 nan 8.150 nan 0.000 0.444 141 A N -1.158 121.712 122.820 0.084 0.000 1.897 141 A HA -0.113 4.200 4.320 -0.012 0.000 0.215 141 A C 2.290 179.934 177.584 0.100 0.000 1.181 141 A CA 1.541 53.667 52.037 0.148 0.000 0.620 141 A CB -1.177 17.902 19.000 0.132 0.000 0.821 141 A HN 0.580 nan 8.150 nan 0.000 0.443 142 C N -1.398 117.961 119.300 0.097 0.000 2.429 142 C HA -0.049 4.403 4.460 -0.012 0.000 0.277 142 C C 2.418 177.562 174.990 0.258 0.000 1.262 142 C CA 0.572 59.693 59.018 0.171 0.000 1.733 142 C CB -1.592 26.274 27.740 0.209 0.000 2.010 142 C HN 0.606 nan 8.230 nan 0.000 0.483 143 F N 1.262 121.184 119.950 -0.046 0.000 2.126 143 F HA -0.102 4.417 4.527 -0.013 0.000 0.299 143 F C 2.261 177.989 175.800 -0.120 0.000 1.096 143 F CA 1.040 58.960 58.000 -0.133 0.000 1.255 143 F CB -1.451 37.325 39.000 -0.373 0.000 0.997 143 F HN 0.194 nan 8.300 nan 0.000 0.479 144 L N -0.337 120.946 121.223 0.100 0.000 2.012 144 L HA -0.271 4.062 4.340 -0.012 0.000 0.210 144 L C 2.189 179.065 176.870 0.011 0.000 1.073 144 L CA 2.035 56.896 54.840 0.036 0.000 0.748 144 L CB -0.802 41.288 42.059 0.051 0.000 0.891 144 L HN 0.112 nan 8.230 nan 0.000 0.431 145 D N -0.565 119.850 120.400 0.026 0.000 2.123 145 D HA -0.176 4.456 4.640 -0.012 0.000 0.196 145 D C 2.181 178.492 176.300 0.019 0.000 0.992 145 D CA 1.538 55.540 54.000 0.003 0.000 0.833 145 D CB 0.205 41.004 40.800 -0.001 0.000 0.954 145 D HN 0.108 nan 8.370 nan 0.000 0.455 146 S N -0.748 114.980 115.700 0.045 0.000 2.383 146 S HA -0.086 4.377 4.470 -0.012 0.000 0.227 146 S C 1.989 176.599 174.600 0.016 0.000 1.026 146 S CA 0.756 58.976 58.200 0.034 0.000 0.981 146 S CB -0.208 63.017 63.200 0.042 0.000 0.818 146 S HN 0.333 nan 8.310 nan 0.000 0.472 147 M N 1.101 120.704 119.600 0.004 0.000 2.159 147 M HA -0.120 4.353 4.480 -0.012 0.000 0.263 147 M C 2.457 178.755 176.300 -0.003 0.000 1.063 147 M CA 1.469 56.767 55.300 -0.002 0.000 1.110 147 M CB -0.517 32.062 32.600 -0.036 0.000 1.374 147 M HN 0.409 nan 8.290 nan 0.000 0.411 148 A N -0.285 122.530 122.820 -0.009 0.000 1.873 148 A HA -0.133 4.179 4.320 -0.012 0.000 0.215 148 A C 2.162 179.757 177.584 0.018 0.000 1.186 148 A CA 2.124 54.159 52.037 -0.003 0.000 0.616 148 A CB -1.129 17.851 19.000 -0.033 0.000 0.823 148 A HN 0.426 nan 8.150 nan 0.000 0.442 149 T N 0.357 114.926 114.554 0.025 0.000 2.833 149 T HA -0.030 4.312 4.350 -0.012 0.000 0.269 149 T C 1.392 176.118 174.700 0.044 0.000 1.054 149 T CA 1.236 63.364 62.100 0.047 0.000 1.135 149 T CB -0.289 68.615 68.868 0.059 0.000 0.869 149 T HN 0.338 nan 8.240 nan 0.000 0.466 150 L N 0.398 121.643 121.223 0.038 0.000 2.611 150 L HA 0.285 4.618 4.340 -0.012 0.000 0.229 150 L C 1.658 178.557 176.870 0.049 0.000 1.137 150 L CA 0.031 54.896 54.840 0.041 0.000 0.901 150 L CB -0.409 41.674 42.059 0.041 0.000 1.098 150 L HN 0.426 nan 8.230 nan 0.000 0.456 151 G N 1.026 109.858 108.800 0.054 0.000 2.198 151 G HA2 -0.281 3.672 3.960 -0.012 0.000 0.260 151 G HA3 -0.281 3.672 3.960 -0.012 0.000 0.260 151 G C 0.069 175.019 174.900 0.083 0.000 1.025 151 G CA -0.034 45.117 45.100 0.085 0.000 0.769 151 G HN 0.270 nan 8.290 nan 0.000 0.507 152 L N -0.025 121.216 121.223 0.030 0.000 2.334 152 L HA 0.630 4.962 4.340 -0.012 0.000 0.277 152 L C 1.200 177.953 176.870 -0.195 0.000 1.075 152 L CA -0.386 54.422 54.840 -0.053 0.000 0.804 152 L CB 1.651 43.691 42.059 -0.031 0.000 1.174 152 L HN 0.261 nan 8.230 nan 0.000 0.438 153 A N 3.148 125.703 122.820 -0.441 0.000 2.981 153 A HA 0.558 4.871 4.320 -0.012 0.000 0.280 153 A C 0.289 177.529 177.584 -0.573 0.000 1.743 153 A CA -0.143 51.339 52.037 -0.925 0.000 1.430 153 A CB -0.660 17.644 19.000 -1.159 0.000 1.085 153 A HN 0.694 nan 8.150 nan 0.000 0.597 154 A N 1.572 124.107 122.820 -0.475 0.000 2.337 154 A HA 0.794 5.106 4.320 -0.012 0.000 0.329 154 A C -1.039 176.293 177.584 -0.421 0.000 1.146 154 A CA -0.463 51.360 52.037 -0.356 0.000 0.800 154 A CB 0.802 19.659 19.000 -0.238 0.000 1.220 154 A HN 0.621 nan 8.150 nan 0.000 0.472 155 Y N 0.372 120.606 120.300 -0.109 0.000 2.373 155 Y HA 0.535 5.078 4.550 -0.012 0.000 0.336 155 Y C 0.846 176.839 175.900 0.155 0.000 0.979 155 Y CA -0.555 57.560 58.100 0.025 0.000 1.080 155 Y CB 2.436 41.002 38.460 0.176 0.000 1.190 155 Y HN 0.837 nan 8.280 nan 0.000 0.446 156 G N 2.279 111.175 108.800 0.161 0.000 2.338 156 G HA2 0.435 4.387 3.960 -0.012 0.000 0.298 156 G HA3 0.435 4.387 3.960 -0.012 0.000 0.298 156 G C -1.694 173.226 174.900 0.033 0.000 1.140 156 G CA -0.223 45.011 45.100 0.224 0.000 0.860 156 G HN 0.529 nan 8.290 nan 0.000 0.470 157 Y N 1.064 121.576 120.300 0.354 0.000 2.364 157 Y HA 0.632 5.174 4.550 -0.012 0.000 0.340 157 Y C 0.803 176.979 175.900 0.461 0.000 0.975 157 Y CA 0.283 58.558 58.100 0.291 0.000 1.089 157 Y CB 2.671 41.337 38.460 0.344 0.000 1.192 157 Y HN 0.864 nan 8.280 nan 0.000 0.454 158 G N 2.249 111.336 108.800 0.479 0.000 2.772 158 G HA2 0.582 4.534 3.960 -0.012 0.000 0.284 158 G HA3 0.582 4.534 3.960 -0.012 0.000 0.284 158 G C -1.784 173.337 174.900 0.368 0.000 1.217 158 G CA -0.803 44.617 45.100 0.532 0.000 0.831 158 G HN 0.426 nan 8.290 nan 0.000 0.523 159 I N 0.592 121.275 120.570 0.188 0.000 2.433 159 I HA 0.426 4.589 4.170 -0.012 0.000 0.292 159 I C 0.304 176.318 176.117 -0.172 0.000 1.001 159 I CA -0.710 60.596 61.300 0.010 0.000 1.119 159 I CB 2.291 40.116 38.000 -0.293 0.000 1.289 159 I HN 0.368 nan 8.210 nan 0.000 0.438 160 R N 6.107 126.615 120.500 0.013 0.000 2.612 160 R HA 0.195 4.528 4.340 -0.012 0.000 0.273 160 R C -1.212 175.138 176.300 0.084 0.000 1.376 160 R CA -0.340 55.800 56.100 0.068 0.000 1.171 160 R CB -0.124 30.206 30.300 0.049 0.000 1.151 160 R HN 0.386 nan 8.270 nan 0.000 0.560 161 Y N 1.416 121.876 120.300 0.265 0.000 2.425 161 Y HA -0.075 4.467 4.550 -0.013 0.000 0.331 161 Y C 1.586 177.669 175.900 0.306 0.000 1.157 161 Y CA 0.016 58.261 58.100 0.242 0.000 1.372 161 Y CB 0.818 39.390 38.460 0.188 0.000 1.253 161 Y HN 0.583 nan 8.280 nan 0.000 0.536 162 E N 2.084 122.474 120.200 0.317 0.000 2.107 162 E HA -0.068 4.275 4.350 -0.012 0.000 0.191 162 E C -0.727 175.775 176.600 -0.163 0.000 0.982 162 E CA 0.727 57.124 56.400 -0.005 0.000 0.809 162 E CB 0.165 29.785 29.700 -0.133 0.000 0.756 162 E HN 0.498 nan 8.360 nan 0.000 0.459 163 F N -0.138 120.005 119.950 0.322 0.000 2.477 163 F HA 0.451 4.971 4.527 -0.012 0.000 0.335 163 F C 0.784 176.651 175.800 0.112 0.000 1.130 163 F CA -0.803 57.341 58.000 0.240 0.000 0.948 163 F CB 1.851 40.925 39.000 0.123 0.000 1.154 163 F HN -0.091 nan 8.300 nan 0.000 0.439 164 G N 1.843 110.730 108.800 0.144 0.000 2.531 164 G HA2 0.348 4.300 3.960 -0.012 0.000 0.253 164 G HA3 0.348 4.300 3.960 -0.012 0.000 0.253 164 G C -0.516 174.318 174.900 -0.110 0.000 1.439 164 G CA -0.710 44.317 45.100 -0.123 0.000 1.056 164 G HN 0.553 nan 8.290 nan 0.000 0.555 165 I N 0.946 121.359 120.570 -0.262 0.000 2.752 165 I HA 0.170 4.333 4.170 -0.012 0.000 0.289 165 I C 0.554 176.546 176.117 -0.208 0.000 1.197 165 I CA -1.034 60.080 61.300 -0.310 0.000 1.432 165 I CB -0.377 37.329 38.000 -0.490 0.000 1.359 165 I HN 0.322 nan 8.210 nan 0.000 0.571 166 F N 6.315 126.258 119.950 -0.012 0.000 2.628 166 F HA 0.218 4.738 4.527 -0.012 0.000 0.362 166 F C 0.584 176.421 175.800 0.062 0.000 1.148 166 F CA -0.597 57.422 58.000 0.032 0.000 1.352 166 F CB -0.413 38.597 39.000 0.018 0.000 1.081 166 F HN 0.426 nan 8.300 nan 0.000 0.605 167 N N 2.577 121.433 118.700 0.261 0.000 2.497 167 N HA 0.023 4.755 4.740 -0.012 0.000 0.268 167 N C -0.676 175.056 175.510 0.370 0.000 1.171 167 N CA -0.214 52.972 53.050 0.227 0.000 0.948 167 N CB 1.074 39.680 38.487 0.198 0.000 1.069 167 N HN 0.767 nan 8.380 nan 0.000 0.460 168 Q N 2.375 122.372 119.800 0.329 0.000 2.278 168 Q HA 0.172 4.505 4.340 -0.012 0.000 0.257 168 Q C -0.966 175.197 176.000 0.272 0.000 0.928 168 Q CA -0.436 55.592 55.803 0.375 0.000 0.932 168 Q CB 0.741 29.715 28.738 0.394 0.000 1.221 168 Q HN 0.219 nan 8.270 nan 0.000 0.434 169 K N 4.074 124.608 120.400 0.225 0.000 2.207 169 K HA 0.463 4.775 4.320 -0.012 0.000 0.255 169 K C -0.618 176.075 176.600 0.154 0.000 0.941 169 K CA -0.861 55.536 56.287 0.183 0.000 0.825 169 K CB 1.521 34.108 32.500 0.144 0.000 1.119 169 K HN 0.640 nan 8.250 nan 0.000 0.430 170 I N 2.044 122.696 120.570 0.137 0.000 2.307 170 I HA 0.140 4.303 4.170 -0.012 0.000 0.289 170 I C 0.017 176.182 176.117 0.081 0.000 1.021 170 I CA -0.724 60.621 61.300 0.076 0.000 1.224 170 I CB 0.833 38.848 38.000 0.025 0.000 1.376 170 I HN 0.460 nan 8.210 nan 0.000 0.470 171 C N 5.633 124.993 119.300 0.099 0.000 2.316 171 C HA 0.647 5.099 4.460 -0.012 0.000 0.324 171 C C 1.190 176.276 174.990 0.161 0.000 1.226 171 C CA 0.262 59.348 59.018 0.113 0.000 1.450 171 C CB -0.345 27.459 27.740 0.107 0.000 2.123 171 C HN 1.110 nan 8.230 nan 0.000 0.454 172 G N 4.216 113.081 108.800 0.109 0.000 2.249 172 G HA2 0.092 4.044 3.960 -0.012 0.000 0.273 172 G HA3 0.092 4.044 3.960 -0.012 0.000 0.273 172 G C 1.221 176.106 174.900 -0.025 0.000 1.036 172 G CA 1.082 46.248 45.100 0.110 0.000 0.824 172 G HN 2.647 nan 8.290 nan 0.000 0.504 173 G N -2.825 105.911 108.800 -0.106 0.000 2.184 173 G HA2 -0.303 3.649 3.960 -0.012 0.000 0.264 173 G HA3 -0.303 3.649 3.960 -0.012 0.000 0.264 173 G C 0.355 174.992 174.900 -0.438 0.000 0.975 173 G CA 0.727 45.643 45.100 -0.307 0.000 0.642 173 G HN 1.230 nan 8.290 nan 0.000 0.536 174 W N 0.695 121.940 121.300 -0.093 0.000 2.496 174 W HA 0.639 5.292 4.660 -0.012 0.000 0.327 174 W C 0.651 177.115 176.519 -0.091 0.000 1.086 174 W CA -0.988 56.299 57.345 -0.096 0.000 1.222 174 W CB 0.896 30.319 29.460 -0.061 0.000 1.304 174 W HN 0.264 nan 8.180 nan 0.000 0.547 175 Q N 3.530 123.421 119.800 0.153 0.000 2.300 175 Q HA 0.139 4.472 4.340 -0.012 0.000 0.280 175 Q C -0.483 175.576 176.000 0.098 0.000 1.033 175 Q CA 0.383 56.250 55.803 0.106 0.000 0.903 175 Q CB 0.492 29.291 28.738 0.101 0.000 1.195 175 Q HN 0.331 nan 8.270 nan 0.000 0.386 176 M N 3.158 122.808 119.600 0.083 0.000 2.456 176 M HA 0.386 4.859 4.480 -0.012 0.000 0.324 176 M C -1.025 175.283 176.300 0.014 0.000 1.124 176 M CA -0.730 54.588 55.300 0.029 0.000 0.959 176 M CB 1.816 34.445 32.600 0.048 0.000 1.692 176 M HN 0.595 nan 8.290 nan 0.000 0.444 177 E N 1.670 121.811 120.200 -0.099 0.000 2.191 177 E HA 0.439 4.782 4.350 -0.012 0.000 0.278 177 E C -0.688 175.908 176.600 -0.006 0.000 0.972 177 E CA -0.543 55.768 56.400 -0.148 0.000 0.804 177 E CB 1.471 30.838 29.700 -0.555 0.000 1.110 177 E HN 0.525 nan 8.360 nan 0.000 0.394 178 E N 0.929 121.200 120.200 0.118 0.000 2.266 178 E HA 0.705 5.048 4.350 -0.012 0.000 0.268 178 E C -1.095 175.595 176.600 0.149 0.000 0.879 178 E CA -1.465 54.997 56.400 0.103 0.000 0.762 178 E CB 1.488 31.256 29.700 0.113 0.000 1.199 178 E HN 0.455 nan 8.360 nan 0.000 0.422 179 A N 2.523 125.394 122.820 0.086 0.000 2.546 179 A HA 0.061 4.373 4.320 -0.012 0.000 0.243 179 A C -0.101 177.655 177.584 0.285 0.000 1.063 179 A CA 0.249 52.353 52.037 0.112 0.000 0.757 179 A CB -0.056 18.897 19.000 -0.078 0.000 0.991 179 A HN 0.727 nan 8.150 nan 0.000 0.503 180 D N 1.938 122.569 120.400 0.385 0.000 2.494 180 D HA 0.192 4.825 4.640 -0.012 0.000 0.217 180 D C -0.495 176.078 176.300 0.454 0.000 1.153 180 D CA -0.218 53.992 54.000 0.351 0.000 0.954 180 D CB 0.360 41.298 40.800 0.230 0.000 1.034 180 D HN 0.364 nan 8.370 nan 0.000 0.518 181 D N 3.847 124.460 120.400 0.354 0.000 2.713 181 D HA -0.013 4.619 4.640 -0.012 0.000 0.229 181 D C 1.049 177.365 176.300 0.028 0.000 1.136 181 D CA -0.586 53.478 54.000 0.106 0.000 1.010 181 D CB -0.147 40.734 40.800 0.136 0.000 1.084 181 D HN 0.574 nan 8.370 nan 0.000 0.495 182 W N 2.266 123.509 121.300 -0.095 0.000 2.595 182 W HA -0.004 4.649 4.660 -0.012 0.000 0.257 182 W C 0.070 176.564 176.519 -0.041 0.000 1.267 182 W CA 0.058 57.384 57.345 -0.030 0.000 1.300 182 W CB -0.632 28.838 29.460 0.017 0.000 1.120 182 W HN 0.176 nan 8.180 nan 0.000 0.618 183 L N 1.000 121.772 121.223 -0.751 0.000 2.607 183 L HA 0.213 4.546 4.340 -0.012 0.000 0.228 183 L C 2.703 179.323 176.870 -0.417 0.000 1.123 183 L CA -0.073 54.312 54.840 -0.759 0.000 0.890 183 L CB -0.602 40.922 42.059 -0.891 0.000 1.103 183 L HN -0.124 nan 8.230 nan 0.000 0.468 184 R N 0.506 120.767 120.500 -0.399 0.000 2.119 184 R HA -0.226 4.107 4.340 -0.012 0.000 0.246 184 R C 1.240 177.310 176.300 -0.384 0.000 1.146 184 R CA 2.079 57.905 56.100 -0.457 0.000 0.962 184 R CB -0.097 29.792 30.300 -0.686 0.000 0.863 184 R HN 0.305 nan 8.270 nan 0.000 0.442 185 Y N -0.839 119.475 120.300 0.024 0.000 2.458 185 Y HA 0.390 4.933 4.550 -0.012 0.000 0.256 185 Y C 0.674 176.586 175.900 0.021 0.000 1.159 185 Y CA 0.195 58.344 58.100 0.082 0.000 1.261 185 Y CB 0.709 39.338 38.460 0.281 0.000 1.119 185 Y HN 0.330 nan 8.280 nan 0.000 0.524 186 G N 1.414 110.242 108.800 0.048 0.000 2.712 186 G HA2 -0.212 3.741 3.960 -0.012 0.000 0.686 186 G HA3 -0.212 3.741 3.960 -0.012 0.000 0.686 186 G C -1.180 173.755 174.900 0.059 0.000 1.181 186 G CA -0.954 44.127 45.100 -0.033 0.000 0.762 186 G HN 0.256 nan 8.290 nan 0.000 0.641 187 N N 2.143 120.816 118.700 -0.044 0.000 2.501 187 N HA 0.580 5.313 4.740 -0.012 0.000 0.245 187 N C -0.504 175.002 175.510 -0.007 0.000 0.974 187 N CA -2.233 50.829 53.050 0.020 0.000 0.941 187 N CB 1.773 40.192 38.487 -0.114 0.000 1.122 187 N HN 0.232 nan 8.380 nan 0.000 0.507 188 P HA 0.009 nan 4.420 nan 0.000 0.233 188 P C 0.283 177.269 177.300 -0.524 0.000 1.167 188 P CA 0.781 63.609 63.100 -0.454 0.000 0.770 188 P CB 0.006 31.258 31.700 -0.747 0.000 0.837 189 W N 1.614 122.939 121.300 0.041 0.000 3.290 189 W HA 0.142 4.795 4.660 -0.012 0.000 0.287 189 W C 0.763 177.324 176.519 0.070 0.000 1.288 189 W CA -0.548 56.816 57.345 0.032 0.000 1.725 189 W CB 0.181 29.673 29.460 0.054 0.000 1.103 189 W HN 0.036 nan 8.180 nan 0.000 0.670 190 E N 0.900 121.247 120.200 0.244 0.000 2.227 190 E HA 0.519 4.861 4.350 -0.012 0.000 0.268 190 E C -0.918 175.832 176.600 0.250 0.000 0.907 190 E CA -1.198 55.364 56.400 0.270 0.000 0.786 190 E CB 1.891 31.748 29.700 0.261 0.000 1.191 190 E HN -0.306 nan 8.360 nan 0.000 0.411 191 K N 1.854 122.424 120.400 0.283 0.000 2.483 191 K HA 0.458 4.770 4.320 -0.012 0.000 0.256 191 K C -1.046 175.595 176.600 0.069 0.000 0.961 191 K CA -0.479 55.909 56.287 0.169 0.000 0.873 191 K CB 1.523 34.108 32.500 0.142 0.000 1.107 191 K HN 0.683 nan 8.250 nan 0.000 0.432 192 A N 4.502 127.288 122.820 -0.056 0.000 2.511 192 A HA 0.256 4.568 4.320 -0.012 0.000 0.242 192 A C -0.258 177.172 177.584 -0.257 0.000 1.069 192 A CA 0.052 51.833 52.037 -0.427 0.000 0.763 192 A CB 0.152 18.856 19.000 -0.492 0.000 1.001 192 A HN 0.793 nan 8.150 nan 0.000 0.498 193 R N 3.282 123.624 120.500 -0.263 0.000 2.868 193 R HA 0.187 4.519 4.340 -0.012 0.000 0.289 193 R C -2.084 174.142 176.300 -0.124 0.000 1.443 193 R CA -1.458 54.570 56.100 -0.120 0.000 1.651 193 R CB 0.986 31.329 30.300 0.071 0.000 1.242 193 R HN 0.597 nan 8.270 nan 0.000 0.621 194 P HA -0.220 nan 4.420 nan 0.000 0.219 194 P C 1.025 178.253 177.300 -0.120 0.000 1.146 194 P CA 1.234 64.263 63.100 -0.117 0.000 0.808 194 P CB 0.287 31.920 31.700 -0.113 0.000 0.779 195 E N -0.249 119.798 120.200 -0.254 0.000 2.333 195 E HA -0.159 4.183 4.350 -0.012 0.000 0.198 195 E C 0.666 177.056 176.600 -0.350 0.000 1.007 195 E CA 0.972 57.153 56.400 -0.366 0.000 0.845 195 E CB -0.890 28.474 29.700 -0.560 0.000 0.766 195 E HN 0.268 nan 8.360 nan 0.000 0.507 196 F N 1.711 121.680 119.950 0.031 0.000 2.647 196 F HA 0.246 4.765 4.527 -0.012 0.000 0.300 196 F C 0.441 176.347 175.800 0.176 0.000 1.106 196 F CA -0.499 57.559 58.000 0.098 0.000 1.313 196 F CB 0.086 39.149 39.000 0.105 0.000 1.007 196 F HN -0.291 nan 8.300 nan 0.000 0.536 197 T N 3.233 117.931 114.554 0.239 0.000 2.908 197 T HA 0.242 4.584 4.350 -0.012 0.000 0.301 197 T C -0.227 174.567 174.700 0.157 0.000 1.019 197 T CA 0.450 62.677 62.100 0.211 0.000 1.152 197 T CB 0.455 69.394 68.868 0.118 0.000 0.966 197 T HN -0.173 nan 8.240 nan 0.000 0.540 198 L N 6.206 127.491 121.223 0.104 0.000 2.401 198 L HA 0.545 4.878 4.340 -0.012 0.000 0.266 198 L C -2.290 174.528 176.870 -0.085 0.000 0.991 198 L CA -2.718 52.110 54.840 -0.019 0.000 0.818 198 L CB 1.954 43.925 42.059 -0.148 0.000 1.321 198 L HN 0.366 nan 8.230 nan 0.000 0.413 199 P HA 0.357 nan 4.420 nan 0.000 0.285 199 P C -1.062 176.079 177.300 -0.266 0.000 1.259 199 P CA -0.350 62.646 63.100 -0.174 0.000 0.794 199 P CB 1.420 33.015 31.700 -0.176 0.000 0.940 200 V N 4.326 124.065 119.914 -0.291 0.000 2.540 200 V HA 0.324 4.437 4.120 -0.012 0.000 0.302 200 V C 0.191 176.033 176.094 -0.420 0.000 1.035 200 V CA -0.608 61.507 62.300 -0.308 0.000 0.873 200 V CB 1.321 33.013 31.823 -0.220 0.000 0.992 200 V HN 0.594 nan 8.190 nan 0.000 0.428 201 H N 3.930 122.820 119.070 -0.300 0.000 2.463 201 H HA 0.611 5.159 4.556 -0.012 0.000 0.332 201 H C -1.303 173.709 175.328 -0.527 0.000 1.127 201 H CA -0.187 55.612 56.048 -0.414 0.000 1.238 201 H CB 1.919 31.221 29.762 -0.767 0.000 1.478 201 H HN 0.480 nan 8.280 nan 0.000 0.499 202 F N 0.496 120.509 119.950 0.105 0.000 2.599 202 F HA 0.208 4.727 4.527 -0.012 0.000 0.311 202 F C -0.303 175.634 175.800 0.228 0.000 1.076 202 F CA -0.497 57.577 58.000 0.123 0.000 0.937 202 F CB 1.214 40.218 39.000 0.007 0.000 1.282 202 F HN 0.580 nan 8.300 nan 0.000 0.460 203 Y N 0.310 120.915 120.300 0.509 0.000 2.904 203 Y HA -0.031 4.512 4.550 -0.012 0.000 0.466 203 Y C 1.373 177.525 175.900 0.421 0.000 1.202 203 Y CA 0.586 58.905 58.100 0.364 0.000 2.491 203 Y CB -1.929 36.676 38.460 0.242 0.000 1.237 203 Y HN 1.255 nan 8.280 nan 0.000 0.633 204 G N 0.799 109.877 108.800 0.465 0.000 2.598 204 G HA2 0.064 4.016 3.960 -0.012 0.000 0.244 204 G HA3 0.064 4.016 3.960 -0.012 0.000 0.244 204 G C -0.531 174.581 174.900 0.352 0.000 1.302 204 G CA 0.972 46.264 45.100 0.319 0.000 0.903 204 G HN 1.351 nan 8.290 nan 0.000 0.575 205 R N -2.508 118.191 120.500 0.331 0.000 2.752 205 R HA 0.715 5.048 4.340 -0.012 0.000 0.271 205 R C -1.371 175.062 176.300 0.222 0.000 1.026 205 R CA -1.002 55.238 56.100 0.232 0.000 0.901 205 R CB 1.401 31.784 30.300 0.139 0.000 1.243 205 R HN 0.851 nan 8.270 nan 0.000 0.463 206 V N 0.933 120.892 119.914 0.076 0.000 2.427 206 V HA 0.369 4.481 4.120 -0.012 0.000 0.286 206 V C -0.165 175.854 176.094 -0.124 0.000 1.034 206 V CA -0.516 61.757 62.300 -0.044 0.000 0.893 206 V CB 1.359 33.089 31.823 -0.155 0.000 0.982 206 V HN 0.712 nan 8.190 nan 0.000 0.452 207 E N 2.576 122.679 120.200 -0.163 0.000 2.195 207 E HA 0.467 4.810 4.350 -0.012 0.000 0.271 207 E C -1.158 175.264 176.600 -0.298 0.000 0.923 207 E CA -0.767 55.546 56.400 -0.144 0.000 0.790 207 E CB 1.223 30.902 29.700 -0.035 0.000 1.155 207 E HN 0.698 nan 8.360 nan 0.000 0.402 208 H N 1.595 120.681 119.070 0.027 0.000 2.476 208 H HA 0.295 4.844 4.556 -0.012 0.000 0.328 208 H C -0.113 175.225 175.328 0.018 0.000 1.073 208 H CA -0.361 55.698 56.048 0.019 0.000 1.229 208 H CB 1.570 31.339 29.762 0.012 0.000 1.432 208 H HN 0.571 nan 8.280 nan 0.000 0.477 209 T N -0.991 113.636 114.554 0.123 0.000 2.905 209 T HA 0.208 4.551 4.350 -0.012 0.000 0.283 209 T C 1.432 176.174 174.700 0.070 0.000 1.031 209 T CA -0.810 61.336 62.100 0.076 0.000 1.002 209 T CB 1.208 70.104 68.868 0.047 0.000 1.200 209 T HN 0.361 nan 8.240 nan 0.000 0.560 210 S N -0.052 115.676 115.700 0.046 0.000 2.380 210 S HA -0.136 4.327 4.470 -0.012 0.000 0.229 210 S C 0.932 175.553 174.600 0.036 0.000 1.043 210 S CA 1.565 59.786 58.200 0.035 0.000 1.038 210 S CB -0.367 62.849 63.200 0.027 0.000 0.872 210 S HN 0.729 nan 8.310 nan 0.000 0.456 211 Q N -0.484 119.340 119.800 0.040 0.000 3.064 211 Q HA 0.525 4.858 4.340 -0.012 0.000 0.258 211 Q C -0.227 175.802 176.000 0.047 0.000 0.972 211 Q CA 0.302 56.128 55.803 0.039 0.000 0.761 211 Q CB 0.886 29.642 28.738 0.031 0.000 1.281 211 Q HN 0.411 nan 8.270 nan 0.000 0.455 212 G N 0.553 109.393 108.800 0.067 0.000 2.570 212 G HA2 0.252 4.205 3.960 -0.012 0.000 0.686 212 G HA3 0.252 4.205 3.960 -0.012 0.000 0.686 212 G C -1.025 173.932 174.900 0.096 0.000 1.257 212 G CA -0.595 44.551 45.100 0.078 0.000 0.846 212 G HN 0.664 nan 8.290 nan 0.000 0.627 213 A N 0.628 123.500 122.820 0.087 0.000 2.302 213 A HA 0.814 5.126 4.320 -0.012 0.000 0.285 213 A C 0.375 177.936 177.584 -0.040 0.000 1.105 213 A CA -0.096 51.928 52.037 -0.021 0.000 0.816 213 A CB 0.916 19.875 19.000 -0.068 0.000 1.067 213 A HN 0.721 nan 8.150 nan 0.000 0.489 214 K N 0.611 120.969 120.400 -0.070 0.000 2.378 214 K HA 0.230 4.543 4.320 -0.012 0.000 0.252 214 K C -1.856 174.783 176.600 0.066 0.000 0.931 214 K CA -0.388 55.899 56.287 0.000 0.000 0.794 214 K CB 2.106 34.606 32.500 -0.001 0.000 1.181 214 K HN 0.740 nan 8.250 nan 0.000 0.425 215 W N 5.194 126.419 121.300 -0.125 0.000 2.291 215 W HA 0.351 5.003 4.660 -0.012 0.000 0.312 215 W C -0.733 175.729 176.519 -0.095 0.000 1.061 215 W CA -0.808 56.468 57.345 -0.116 0.000 1.296 215 W CB 0.176 29.553 29.460 -0.138 0.000 1.223 215 W HN 0.276 nan 8.180 nan 0.000 0.421 216 V N 2.822 122.798 119.914 0.104 0.000 3.126 216 V HA 0.618 4.730 4.120 -0.012 0.000 0.314 216 V C -0.282 175.796 176.094 -0.028 0.000 1.138 216 V CA -0.995 61.288 62.300 -0.028 0.000 1.034 216 V CB 2.012 33.844 31.823 0.015 0.000 1.075 216 V HN 0.470 nan 8.190 nan 0.000 0.442 217 D N 0.341 120.722 120.400 -0.031 0.000 2.723 217 D HA -0.134 4.498 4.640 -0.012 0.000 0.236 217 D C 0.503 176.813 176.300 0.017 0.000 1.138 217 D CA 1.547 55.553 54.000 0.010 0.000 0.676 217 D CB -1.602 39.225 40.800 0.046 0.000 1.069 217 D HN 1.339 nan 8.370 nan 0.000 0.430 218 T N -2.848 111.669 114.554 -0.061 0.000 2.899 218 T HA 0.509 4.851 4.350 -0.012 0.000 0.284 218 T C 0.462 175.225 174.700 0.104 0.000 1.004 218 T CA -0.824 61.253 62.100 -0.039 0.000 1.043 218 T CB 1.954 70.621 68.868 -0.335 0.000 1.013 218 T HN 0.053 nan 8.240 nan 0.000 0.518 219 Q N 0.633 120.568 119.800 0.225 0.000 2.235 219 Q HA 0.564 4.897 4.340 -0.012 0.000 0.250 219 Q C -0.899 175.232 176.000 0.217 0.000 0.909 219 Q CA -0.937 55.026 55.803 0.266 0.000 0.910 219 Q CB 1.823 30.796 28.738 0.392 0.000 1.223 219 Q HN 0.525 nan 8.270 nan 0.000 0.432 220 V N 2.708 122.711 119.914 0.148 0.000 2.417 220 V HA 0.381 4.493 4.120 -0.012 0.000 0.291 220 V C -0.266 175.879 176.094 0.085 0.000 1.024 220 V CA -0.714 61.578 62.300 -0.014 0.000 0.861 220 V CB 1.577 33.343 31.823 -0.095 0.000 0.985 220 V HN 0.487 nan 8.190 nan 0.000 0.436 221 V N 5.982 125.963 119.914 0.112 0.000 2.555 221 V HA 0.489 4.602 4.120 -0.012 0.000 0.302 221 V C -0.060 176.106 176.094 0.121 0.000 1.038 221 V CA -0.644 61.733 62.300 0.129 0.000 0.887 221 V CB 1.885 33.864 31.823 0.259 0.000 0.991 221 V HN 0.654 nan 8.190 nan 0.000 0.434 222 L N 3.530 124.819 121.223 0.110 0.000 2.375 222 L HA 0.726 5.058 4.340 -0.012 0.000 0.271 222 L C 0.455 177.490 176.870 0.274 0.000 1.107 222 L CA -0.271 54.644 54.840 0.124 0.000 0.806 222 L CB 1.219 43.333 42.059 0.091 0.000 1.146 222 L HN 0.757 nan 8.230 nan 0.000 0.447 223 A N 5.018 127.952 122.820 0.189 0.000 2.267 223 A HA 0.602 4.914 4.320 -0.012 0.000 0.315 223 A C -0.529 177.318 177.584 0.439 0.000 1.297 223 A CA -0.449 51.740 52.037 0.254 0.000 0.865 223 A CB 0.932 19.666 19.000 -0.442 0.000 1.165 223 A HN 0.763 nan 8.150 nan 0.000 0.513 224 M N 5.716 125.626 119.600 0.517 0.000 2.149 224 M HA 0.428 4.901 4.480 -0.012 0.000 0.342 224 M C -2.649 173.873 176.300 0.369 0.000 1.068 224 M CA -2.228 53.302 55.300 0.384 0.000 0.991 224 M CB 2.260 34.992 32.600 0.220 0.000 1.596 224 M HN 0.373 nan 8.290 nan 0.000 0.439 225 P HA 0.289 nan 4.420 nan 0.000 0.288 225 P C -1.928 175.252 177.300 -0.201 0.000 1.267 225 P CA -0.085 62.859 63.100 -0.260 0.000 0.815 225 P CB 0.630 31.945 31.700 -0.641 0.000 0.989 226 Y N 0.423 120.640 120.300 -0.137 0.000 2.350 226 Y HA 0.345 4.887 4.550 -0.012 0.000 0.338 226 Y C 0.262 176.137 175.900 -0.042 0.000 0.961 226 Y CA -0.336 57.743 58.100 -0.036 0.000 1.100 226 Y CB 1.381 39.851 38.460 0.018 0.000 1.179 226 Y HN 0.216 nan 8.280 nan 0.000 0.454 227 D N 1.823 122.324 120.400 0.169 0.000 2.193 227 D HA 0.377 5.010 4.640 -0.012 0.000 0.244 227 D C -0.622 175.899 176.300 0.368 0.000 1.064 227 D CA -0.177 53.961 54.000 0.231 0.000 0.845 227 D CB 1.663 42.628 40.800 0.275 0.000 1.148 227 D HN 0.392 nan 8.370 nan 0.000 0.464 228 T N 3.523 118.208 114.554 0.217 0.000 2.807 228 T HA 0.466 4.809 4.350 -0.012 0.000 0.279 228 T C -2.465 172.107 174.700 -0.213 0.000 0.993 228 T CA -1.479 60.664 62.100 0.072 0.000 0.970 228 T CB 1.971 70.864 68.868 0.040 0.000 0.950 228 T HN 0.178 nan 8.240 nan 0.000 0.441 229 P HA 0.305 nan 4.420 nan 0.000 0.275 229 P C -1.026 175.955 177.300 -0.532 0.000 1.228 229 P CA -0.394 62.064 63.100 -1.070 0.000 0.786 229 P CB 0.819 31.713 31.700 -1.344 0.000 0.927 230 V N 4.742 124.390 119.914 -0.444 0.000 2.340 230 V HA 0.257 4.370 4.120 -0.012 0.000 0.277 230 V C -2.123 173.830 176.094 -0.235 0.000 1.017 230 V CA -1.910 60.225 62.300 -0.275 0.000 0.820 230 V CB 1.329 33.039 31.823 -0.187 0.000 1.028 230 V HN 0.539 nan 8.190 nan 0.000 0.436 231 P HA 0.264 nan 4.420 nan 0.000 0.280 231 P C 0.413 177.658 177.300 -0.091 0.000 1.244 231 P CA 0.299 63.304 63.100 -0.158 0.000 0.784 231 P CB 1.479 33.087 31.700 -0.154 0.000 0.913 232 G N 2.158 110.923 108.800 -0.059 0.000 2.606 232 G HA2 0.094 4.047 3.960 -0.012 0.000 0.252 232 G HA3 0.094 4.047 3.960 -0.012 0.000 0.252 232 G C -1.076 173.835 174.900 0.018 0.000 1.206 232 G CA -0.536 44.559 45.100 -0.007 0.000 0.861 232 G HN 0.514 nan 8.290 nan 0.000 0.561 233 Y N 0.808 121.068 120.300 -0.067 0.000 2.674 233 Y HA 0.233 4.775 4.550 -0.013 0.000 0.354 233 Y C 1.198 177.060 175.900 -0.063 0.000 1.089 233 Y CA -0.175 57.882 58.100 -0.072 0.000 1.444 233 Y CB -0.011 38.405 38.460 -0.074 0.000 1.187 233 Y HN 0.719 nan 8.280 nan 0.000 0.523 234 R N 2.637 122.880 120.500 -0.427 0.000 3.627 234 R HA -0.319 4.013 4.340 -0.012 0.000 0.281 234 R C 0.117 176.295 176.300 -0.204 0.000 1.140 234 R CA 1.421 57.284 56.100 -0.395 0.000 0.761 234 R CB -1.966 27.946 30.300 -0.647 0.000 1.181 234 R HN 0.943 nan 8.270 nan 0.000 0.472 235 N N -1.269 117.358 118.700 -0.121 0.000 2.187 235 N HA 0.059 4.791 4.740 -0.012 0.000 0.212 235 N C -0.139 175.329 175.510 -0.069 0.000 1.152 235 N CA -0.347 52.660 53.050 -0.071 0.000 0.872 235 N CB 0.506 38.976 38.487 -0.029 0.000 1.025 235 N HN 0.088 nan 8.380 nan 0.000 0.514 236 N N -0.189 118.465 118.700 -0.078 0.000 2.778 236 N HA -0.133 4.600 4.740 -0.012 0.000 0.249 236 N C -0.944 174.529 175.510 -0.062 0.000 1.069 236 N CA 0.604 53.615 53.050 -0.065 0.000 0.831 236 N CB -1.304 37.146 38.487 -0.062 0.000 1.142 236 N HN 0.189 nan 8.380 nan 0.000 0.573 237 V N 1.097 120.977 119.914 -0.057 0.000 2.465 237 V HA 0.436 4.549 4.120 -0.012 0.000 0.279 237 V C 0.648 176.710 176.094 -0.054 0.000 1.045 237 V CA -0.465 61.807 62.300 -0.046 0.000 0.938 237 V CB 2.103 33.922 31.823 -0.006 0.000 0.986 237 V HN -0.040 nan 8.190 nan 0.000 0.467 238 V N 5.184 125.070 119.914 -0.046 0.000 2.419 238 V HA 0.430 4.543 4.120 -0.012 0.000 0.287 238 V C -0.137 175.934 176.094 -0.039 0.000 1.017 238 V CA -0.835 61.397 62.300 -0.114 0.000 0.844 238 V CB 1.488 33.203 31.823 -0.179 0.000 1.011 238 V HN 0.844 nan 8.190 nan 0.000 0.429 239 N N 1.913 120.564 118.700 -0.083 0.000 2.447 239 N HA 0.552 5.285 4.740 -0.012 0.000 0.271 239 N C -0.045 175.435 175.510 -0.049 0.000 1.226 239 N CA -0.279 52.751 53.050 -0.034 0.000 0.980 239 N CB 1.301 39.735 38.487 -0.088 0.000 1.206 239 N HN 0.571 nan 8.380 nan 0.000 0.558 240 T N 0.865 115.412 114.554 -0.011 0.000 2.807 240 T HA 0.384 4.726 4.350 -0.012 0.000 0.279 240 T C -0.137 174.534 174.700 -0.048 0.000 0.993 240 T CA -0.486 61.683 62.100 0.115 0.000 0.970 240 T CB 0.870 69.932 68.868 0.324 0.000 0.950 240 T HN 0.287 nan 8.240 nan 0.000 0.441 241 M N 3.963 123.505 119.600 -0.098 0.000 2.088 241 M HA 0.490 4.963 4.480 -0.012 0.000 0.346 241 M C -0.448 175.710 176.300 -0.236 0.000 1.111 241 M CA -0.719 54.438 55.300 -0.237 0.000 1.017 241 M CB 0.673 33.079 32.600 -0.323 0.000 1.568 241 M HN 0.474 nan 8.290 nan 0.000 0.445 242 R N 6.085 126.334 120.500 -0.417 0.000 2.310 242 R HA 0.616 4.948 4.340 -0.012 0.000 0.324 242 R C -1.999 173.997 176.300 -0.508 0.000 0.955 242 R CA -0.455 55.344 56.100 -0.503 0.000 0.830 242 R CB 0.913 30.747 30.300 -0.775 0.000 1.154 242 R HN 0.814 nan 8.270 nan 0.000 0.458 243 L N 5.067 126.093 121.223 -0.329 0.000 2.333 243 L HA 0.494 4.827 4.340 -0.012 0.000 0.280 243 L C -0.852 175.958 176.870 -0.101 0.000 1.004 243 L CA -0.903 53.846 54.840 -0.152 0.000 0.820 243 L CB 1.492 43.550 42.059 -0.002 0.000 1.247 243 L HN 0.577 nan 8.230 nan 0.000 0.416 244 W N 1.983 123.398 121.300 0.192 0.000 2.315 244 W HA 0.447 5.100 4.660 -0.012 0.000 0.316 244 W C 0.614 177.354 176.519 0.369 0.000 1.211 244 W CA -0.110 57.373 57.345 0.229 0.000 1.201 244 W CB 1.463 30.928 29.460 0.008 0.000 1.184 244 W HN 0.350 nan 8.180 nan 0.000 0.544 245 S N 1.896 117.996 115.700 0.667 0.000 2.501 245 S HA 0.774 5.237 4.470 -0.012 0.000 0.301 245 S C -0.407 174.534 174.600 0.570 0.000 1.096 245 S CA -0.717 57.792 58.200 0.516 0.000 1.063 245 S CB 0.636 64.107 63.200 0.452 0.000 1.042 245 S HN 0.507 nan 8.310 nan 0.000 0.494 246 A N 4.758 127.753 122.820 0.292 0.000 2.328 246 A HA 0.648 4.960 4.320 -0.012 0.000 0.284 246 A C -0.201 177.441 177.584 0.096 0.000 1.160 246 A CA -0.346 51.756 52.037 0.108 0.000 0.818 246 A CB 0.372 19.158 19.000 -0.356 0.000 1.087 246 A HN 0.685 nan 8.150 nan 0.000 0.504 247 K N 1.348 121.814 120.400 0.110 0.000 2.468 247 K HA 0.571 4.884 4.320 -0.012 0.000 0.252 247 K C -0.430 176.157 176.600 -0.021 0.000 0.932 247 K CA -0.450 55.868 56.287 0.052 0.000 0.794 247 K CB 2.292 34.852 32.500 0.101 0.000 1.241 247 K HN 0.848 nan 8.250 nan 0.000 0.428 248 A N 4.177 126.934 122.820 -0.105 0.000 2.407 248 A HA 0.409 4.722 4.320 -0.012 0.000 0.248 248 A C -2.141 175.418 177.584 -0.042 0.000 1.082 248 A CA -0.841 51.072 52.037 -0.207 0.000 0.785 248 A CB -0.409 18.375 19.000 -0.358 0.000 1.020 248 A HN 0.318 nan 8.150 nan 0.000 0.489 249 P HA 0.182 nan 4.420 nan 0.000 0.274 249 P C -0.002 177.374 177.300 0.126 0.000 1.246 249 P CA -0.359 62.789 63.100 0.080 0.000 0.795 249 P CB 0.415 32.177 31.700 0.102 0.000 1.006 250 N N 0.273 119.035 118.700 0.103 0.000 2.381 250 N HA -0.146 4.587 4.740 -0.012 0.000 0.182 250 N C 0.742 176.329 175.510 0.128 0.000 1.025 250 N CA 0.856 53.971 53.050 0.108 0.000 0.888 250 N CB -0.291 38.244 38.487 0.080 0.000 0.965 250 N HN 0.572 nan 8.380 nan 0.000 0.438 251 D N -0.043 120.434 120.400 0.129 0.000 2.328 251 D HA -0.092 4.541 4.640 -0.012 0.000 0.221 251 D C -0.096 176.279 176.300 0.126 0.000 1.072 251 D CA -0.473 53.593 54.000 0.111 0.000 0.850 251 D CB -0.761 40.086 40.800 0.078 0.000 0.922 251 D HN 0.115 nan 8.370 nan 0.000 0.516 252 F N 2.097 122.066 119.950 0.032 0.000 2.571 252 F HA 0.083 4.603 4.527 -0.012 0.000 0.390 252 F C 0.650 176.461 175.800 0.018 0.000 1.043 252 F CA 0.262 58.278 58.000 0.026 0.000 1.164 252 F CB -0.030 38.986 39.000 0.027 0.000 1.049 252 F HN -0.148 nan 8.300 nan 0.000 0.552 253 N N 2.571 120.906 118.700 -0.608 0.000 2.900 253 N HA -0.269 4.463 4.740 -0.012 0.000 0.240 253 N C -0.749 174.664 175.510 -0.162 0.000 0.953 253 N CA 1.460 54.242 53.050 -0.447 0.000 0.950 253 N CB -1.301 36.907 38.487 -0.465 0.000 1.102 253 N HN 0.567 nan 8.380 nan 0.000 0.593 262 Y N 1.841 122.141 120.300 -0.000 0.000 2.114 262 Y HA 0.002 4.545 4.550 -0.012 0.000 0.284 262 Y C 2.700 178.608 175.900 0.013 0.000 1.143 262 Y CA 2.196 60.299 58.100 0.005 0.000 1.135 262 Y CB -0.143 38.321 38.460 0.007 0.000 0.980 262 Y HN 0.187 nan 8.280 nan 0.000 0.499 263 I N 0.541 121.023 120.570 -0.147 0.000 2.163 263 I HA -0.309 3.853 4.170 -0.012 0.000 0.243 263 I C 2.374 178.381 176.117 -0.184 0.000 1.085 263 I CA 1.482 62.648 61.300 -0.224 0.000 1.347 263 I CB -1.423 36.557 38.000 -0.033 0.000 1.044 263 I HN 0.374 nan 8.210 nan 0.000 0.408 264 Q N 0.524 120.268 119.800 -0.094 0.000 2.096 264 Q HA -0.150 4.182 4.340 -0.012 0.000 0.204 264 Q C 2.394 178.349 176.000 -0.074 0.000 0.982 264 Q CA 1.960 57.725 55.803 -0.062 0.000 0.850 264 Q CB -0.439 28.280 28.738 -0.032 0.000 0.901 264 Q HN 0.556 nan 8.270 nan 0.000 0.422 265 A N 0.034 122.792 122.820 -0.103 0.000 1.908 265 A HA -0.148 4.165 4.320 -0.012 0.000 0.218 265 A C 2.424 179.967 177.584 -0.068 0.000 1.181 265 A CA 1.754 53.738 52.037 -0.089 0.000 0.627 265 A CB -0.689 18.263 19.000 -0.080 0.000 0.818 265 A HN 0.228 nan 8.150 nan 0.000 0.445 266 V N 0.256 120.058 119.914 -0.188 0.000 2.307 266 V HA -0.243 3.870 4.120 -0.012 0.000 0.245 266 V C 2.540 178.604 176.094 -0.049 0.000 1.045 266 V CA 1.857 64.070 62.300 -0.145 0.000 1.024 266 V CB -0.822 30.817 31.823 -0.306 0.000 0.651 266 V HN 0.569 nan 8.190 nan 0.000 0.449 267 L N -0.087 121.099 121.223 -0.062 0.000 2.131 267 L HA -0.187 4.145 4.340 -0.012 0.000 0.210 267 L C 2.084 178.972 176.870 0.030 0.000 1.092 267 L CA 1.422 56.253 54.840 -0.016 0.000 0.759 267 L CB -0.757 41.288 42.059 -0.023 0.000 0.903 267 L HN 0.346 nan 8.230 nan 0.000 0.435 268 D N -0.115 120.319 120.400 0.058 0.000 2.371 268 D HA -0.081 4.552 4.640 -0.012 0.000 0.221 268 D C 2.170 178.629 176.300 0.265 0.000 0.986 268 D CA 0.469 54.550 54.000 0.134 0.000 0.899 268 D CB -0.004 40.862 40.800 0.110 0.000 0.902 268 D HN 0.215 nan 8.370 nan 0.000 0.530 269 R N 0.255 120.880 120.500 0.208 0.000 2.127 269 R HA -0.074 4.259 4.340 -0.012 0.000 0.238 269 R C 1.746 178.024 176.300 -0.036 0.000 1.134 269 R CA 0.996 57.152 56.100 0.092 0.000 0.975 269 R CB -0.277 30.058 30.300 0.058 0.000 0.865 269 R HN 0.344 nan 8.270 nan 0.000 0.447 270 N N 0.338 119.048 118.700 0.016 0.000 2.132 270 N HA -0.216 4.516 4.740 -0.012 0.000 0.191 270 N C 1.327 176.831 175.510 -0.010 0.000 1.015 270 N CA 0.925 53.978 53.050 0.004 0.000 0.864 270 N CB -0.142 38.359 38.487 0.024 0.000 1.006 270 N HN 0.022 nan 8.380 nan 0.000 0.430 271 L N 1.081 122.314 121.223 0.018 0.000 2.012 271 L HA -0.155 4.177 4.340 -0.012 0.000 0.210 271 L C 2.488 179.324 176.870 -0.057 0.000 1.073 271 L CA 1.578 56.430 54.840 0.020 0.000 0.748 271 L CB -1.059 41.065 42.059 0.109 0.000 0.891 271 L HN 0.164 nan 8.230 nan 0.000 0.431 272 A N -0.924 121.788 122.820 -0.181 0.000 1.902 272 A HA -0.201 4.111 4.320 -0.012 0.000 0.217 272 A C 2.182 179.636 177.584 -0.216 0.000 1.181 272 A CA 1.655 53.517 52.037 -0.293 0.000 0.623 272 A CB -0.502 18.093 19.000 -0.676 0.000 0.818 272 A HN 0.524 nan 8.150 nan 0.000 0.443 273 E N -0.078 120.021 120.200 -0.168 0.000 2.427 273 E HA -0.069 4.274 4.350 -0.012 0.000 0.196 273 E C 1.103 177.661 176.600 -0.071 0.000 1.028 273 E CA 0.205 56.539 56.400 -0.110 0.000 0.864 273 E CB -0.101 29.561 29.700 -0.062 0.000 0.813 273 E HN 0.471 nan 8.360 nan 0.000 0.514 274 N N 0.942 119.609 118.700 -0.055 0.000 2.430 274 N HA -0.127 4.606 4.740 -0.012 0.000 0.186 274 N C 1.549 177.047 175.510 -0.020 0.000 1.032 274 N CA 0.690 53.733 53.050 -0.011 0.000 0.893 274 N CB -0.064 38.423 38.487 0.000 0.000 0.957 274 N HN 0.257 nan 8.380 nan 0.000 0.442 275 I N 0.443 120.939 120.570 -0.123 0.000 2.194 275 I HA -0.270 3.893 4.170 -0.012 0.000 0.246 275 I C 1.508 177.571 176.117 -0.091 0.000 1.093 275 I CA 1.367 62.557 61.300 -0.184 0.000 1.355 275 I CB -0.186 37.535 38.000 -0.464 0.000 1.046 275 I HN 0.137 nan 8.210 nan 0.000 0.413 276 S N -0.579 115.061 115.700 -0.099 0.000 2.582 276 S HA 0.181 4.643 4.470 -0.012 0.000 0.234 276 S C 1.495 176.227 174.600 0.219 0.000 0.961 276 S CA -0.510 57.727 58.200 0.061 0.000 0.953 276 S CB 0.196 63.416 63.200 0.034 0.000 0.800 276 S HN 0.226 nan 8.310 nan 0.000 0.471 277 R N 1.249 121.879 120.500 0.217 0.000 2.075 277 R HA 0.280 4.612 4.340 -0.012 0.000 0.226 277 R C 0.331 176.879 176.300 0.414 0.000 1.114 277 R CA 1.007 57.277 56.100 0.283 0.000 0.972 277 R CB -0.148 30.280 30.300 0.213 0.000 0.869 277 R HN 0.377 nan 8.270 nan 0.000 0.437 278 V N 0.502 120.613 119.914 0.329 0.000 2.851 278 V HA 0.352 4.464 4.120 -0.012 0.000 0.307 278 V C -1.621 174.401 176.094 -0.119 0.000 1.129 278 V CA -1.363 61.036 62.300 0.165 0.000 0.932 278 V CB 1.788 33.622 31.823 0.019 0.000 1.024 278 V HN 0.153 nan 8.190 nan 0.000 0.426 279 L N 7.020 127.940 121.223 -0.504 0.000 2.360 279 L HA 0.473 4.806 4.340 -0.012 0.000 0.276 279 L C -0.827 175.847 176.870 -0.326 0.000 1.121 279 L CA 0.441 54.775 54.840 -0.843 0.000 0.845 279 L CB 0.454 41.964 42.059 -0.916 0.000 1.143 279 L HN 0.676 nan 8.230 nan 0.000 0.452 280 Y N 7.103 127.282 120.300 -0.202 0.000 2.569 280 Y HA 0.188 4.731 4.550 -0.013 0.000 0.332 280 Y C -1.357 174.495 175.900 -0.080 0.000 1.120 280 Y CA -1.070 56.983 58.100 -0.079 0.000 1.416 280 Y CB 0.348 38.789 38.460 -0.030 0.000 1.210 280 Y HN 0.580 nan 8.280 nan 0.000 0.528 281 P HA 0.057 nan 4.420 nan 0.000 0.254 281 P C 0.179 177.528 177.300 0.083 0.000 1.494 281 P CA 0.227 63.386 63.100 0.098 0.000 0.961 281 P CB 0.341 32.201 31.700 0.267 0.000 1.493 282 N N 1.009 119.730 118.700 0.035 0.000 2.258 282 N HA -0.199 4.534 4.740 -0.012 0.000 0.187 282 N C 0.949 176.086 175.510 -0.622 0.000 1.012 282 N CA 1.378 54.304 53.050 -0.206 0.000 0.870 282 N CB -0.226 38.186 38.487 -0.126 0.000 0.977 282 N HN 0.245 nan 8.380 nan 0.000 0.434 283 D N -1.229 119.021 120.400 -0.251 0.000 3.927 283 D HA -0.197 4.435 4.640 -0.012 0.000 0.204 283 D C 0.687 176.952 176.300 -0.058 0.000 1.093 283 D CA 1.707 55.651 54.000 -0.094 0.000 2.340 283 D CB -1.391 39.419 40.800 0.016 0.000 1.185 283 D HN 0.332 nan 8.370 nan 0.000 0.443 284 N N -1.057 117.517 118.700 -0.211 0.000 2.559 284 N HA 0.113 4.845 4.740 -0.012 0.000 0.247 284 N C 0.852 176.328 175.510 -0.056 0.000 1.063 284 N CA 0.432 53.445 53.050 -0.062 0.000 0.876 284 N CB 0.804 39.305 38.487 0.024 0.000 1.608 284 N HN 0.302 nan 8.380 nan 0.000 0.467 285 F N 0.846 120.887 119.950 0.150 0.000 2.444 285 F HA 0.291 4.810 4.527 -0.012 0.000 0.297 285 F C -0.030 175.864 175.800 0.157 0.000 1.295 285 F CA -0.621 57.449 58.000 0.116 0.000 1.286 285 F CB -0.011 39.011 39.000 0.037 0.000 1.298 285 F HN -0.177 nan 8.300 nan 0.000 0.531 286 F N 0.325 120.417 119.950 0.236 0.000 2.539 286 F HA 0.384 4.904 4.527 -0.012 0.000 0.328 286 F C -0.797 174.996 175.800 -0.012 0.000 1.148 286 F CA -0.645 57.367 58.000 0.020 0.000 0.940 286 F CB 1.172 40.115 39.000 -0.096 0.000 1.194 286 F HN 0.617 nan 8.300 nan 0.000 0.438 287 E N 3.762 123.525 120.200 -0.729 0.000 2.129 287 E HA 0.343 4.686 4.350 -0.012 0.000 0.268 287 E C 0.051 175.942 176.600 -1.182 0.000 0.900 287 E CA -0.771 55.214 56.400 -0.693 0.000 0.755 287 E CB 1.481 31.045 29.700 -0.226 0.000 1.117 287 E HN 0.901 nan 8.360 nan 0.000 0.410 288 G N 5.183 113.315 108.800 -1.113 0.000 3.102 288 G HA2 0.002 3.955 3.960 -0.012 0.000 0.264 288 G HA3 0.002 3.955 3.960 -0.012 0.000 0.264 288 G C -0.020 174.844 174.900 -0.061 0.000 0.788 288 G CA -0.124 44.531 45.100 -0.741 0.000 2.029 288 G HN 0.193 nan 8.290 nan 0.000 0.608 289 K N 0.723 121.120 120.400 -0.004 0.000 2.183 289 K HA 0.163 4.476 4.320 -0.012 0.000 0.274 289 K C 0.997 177.717 176.600 0.201 0.000 1.009 289 K CA -0.587 55.765 56.287 0.109 0.000 0.888 289 K CB 2.197 34.742 32.500 0.075 0.000 1.078 289 K HN 0.499 nan 8.250 nan 0.000 0.459 290 E N 2.245 122.535 120.200 0.150 0.000 2.097 290 E HA -0.232 4.110 4.350 -0.012 0.000 0.196 290 E C 1.477 178.091 176.600 0.022 0.000 1.000 290 E CA 1.200 57.641 56.400 0.068 0.000 0.804 290 E CB 0.180 29.926 29.700 0.077 0.000 0.740 290 E HN 0.429 nan 8.360 nan 0.000 0.454 291 L N 1.188 122.466 121.223 0.091 0.000 2.083 291 L HA -0.163 4.170 4.340 -0.012 0.000 0.209 291 L C 2.503 179.444 176.870 0.119 0.000 1.083 291 L CA 1.767 56.677 54.840 0.116 0.000 0.752 291 L CB -0.468 41.729 42.059 0.230 0.000 0.899 291 L HN 0.010 nan 8.230 nan 0.000 0.433 292 R N -0.517 119.993 120.500 0.015 0.000 2.081 292 R HA -0.175 4.157 4.340 -0.012 0.000 0.235 292 R C 2.120 178.440 176.300 0.033 0.000 1.131 292 R CA 1.943 57.979 56.100 -0.106 0.000 0.960 292 R CB -1.073 28.976 30.300 -0.417 0.000 0.856 292 R HN 0.416 nan 8.270 nan 0.000 0.436 293 L N 0.980 122.128 121.223 -0.124 0.000 2.012 293 L HA -0.132 4.201 4.340 -0.012 0.000 0.210 293 L C 1.781 178.573 176.870 -0.131 0.000 1.073 293 L CA 1.980 56.534 54.840 -0.476 0.000 0.748 293 L CB -0.479 41.040 42.059 -0.900 0.000 0.891 293 L HN 0.168 nan 8.230 nan 0.000 0.431 294 K N -1.007 119.361 120.400 -0.054 0.000 2.063 294 K HA -0.223 4.090 4.320 -0.012 0.000 0.208 294 K C 2.104 178.847 176.600 0.238 0.000 1.048 294 K CA 1.916 58.235 56.287 0.053 0.000 0.928 294 K CB -0.219 32.137 32.500 -0.240 0.000 0.713 294 K HN 0.524 nan 8.250 nan 0.000 0.442 295 Q N 0.573 120.485 119.800 0.187 0.000 2.084 295 Q HA -0.187 4.146 4.340 -0.012 0.000 0.202 295 Q C 1.972 178.167 176.000 0.325 0.000 0.978 295 Q CA 1.434 57.409 55.803 0.286 0.000 0.844 295 Q CB -0.019 28.909 28.738 0.316 0.000 0.898 295 Q HN 0.393 nan 8.270 nan 0.000 0.426 296 E N -0.153 120.191 120.200 0.240 0.000 2.077 296 E HA -0.218 4.125 4.350 -0.012 0.000 0.193 296 E C 1.761 178.475 176.600 0.191 0.000 0.989 296 E CA 1.083 57.609 56.400 0.211 0.000 0.800 296 E CB -0.166 29.637 29.700 0.173 0.000 0.746 296 E HN 0.323 nan 8.360 nan 0.000 0.452 297 Y N 0.580 120.926 120.300 0.076 0.000 2.200 297 Y HA -0.230 4.313 4.550 -0.012 0.000 0.290 297 Y C 2.020 177.956 175.900 0.059 0.000 1.137 297 Y CA 1.214 59.320 58.100 0.010 0.000 1.163 297 Y CB -0.487 37.952 38.460 -0.035 0.000 0.988 297 Y HN 0.022 nan 8.280 nan 0.000 0.518 298 F N -0.327 119.614 119.950 -0.015 0.000 2.091 298 F HA -0.259 4.261 4.527 -0.012 0.000 0.299 298 F C 2.471 178.125 175.800 -0.243 0.000 1.103 298 F CA 2.060 60.001 58.000 -0.099 0.000 1.228 298 F CB -1.031 38.069 39.000 0.166 0.000 0.984 298 F HN -0.052 nan 8.300 nan 0.000 0.477 299 V N -0.512 119.354 119.914 -0.080 0.000 2.427 299 V HA -0.200 3.913 4.120 -0.012 0.000 0.248 299 V C 2.188 178.124 176.094 -0.263 0.000 1.051 299 V CA 1.893 64.115 62.300 -0.131 0.000 1.048 299 V CB -0.324 31.623 31.823 0.206 0.000 0.666 299 V HN 0.273 nan 8.190 nan 0.000 0.456 300 V N 0.325 120.096 119.914 -0.239 0.000 2.307 300 V HA -0.159 3.953 4.120 -0.012 0.000 0.245 300 V C 2.774 178.602 176.094 -0.442 0.000 1.045 300 V CA 2.093 64.240 62.300 -0.255 0.000 1.024 300 V CB -0.965 30.775 31.823 -0.137 0.000 0.651 300 V HN 0.634 nan 8.190 nan 0.000 0.449 301 A N -0.244 122.139 122.820 -0.728 0.000 1.898 301 A HA -0.058 4.254 4.320 -0.012 0.000 0.216 301 A C 2.388 179.587 177.584 -0.642 0.000 1.181 301 A CA 1.970 53.568 52.037 -0.732 0.000 0.620 301 A CB -0.741 17.597 19.000 -1.103 0.000 0.819 301 A HN 0.550 nan 8.150 nan 0.000 0.442 302 A N -0.941 121.337 122.820 -0.902 0.000 1.873 302 A HA -0.058 4.255 4.320 -0.012 0.000 0.215 302 A C 2.313 179.365 177.584 -0.887 0.000 1.186 302 A CA 2.253 53.574 52.037 -1.194 0.000 0.616 302 A CB -1.295 16.387 19.000 -2.197 0.000 0.823 302 A HN 0.418 nan 8.150 nan 0.000 0.442 303 T N 0.520 114.681 114.554 -0.656 0.000 2.684 303 T HA -0.119 4.224 4.350 -0.012 0.000 0.267 303 T C 1.837 176.242 174.700 -0.492 0.000 1.036 303 T CA 1.499 63.332 62.100 -0.446 0.000 1.148 303 T CB -0.410 68.208 68.868 -0.417 0.000 0.863 303 T HN 0.331 nan 8.240 nan 0.000 0.436 304 L N 0.665 121.654 121.223 -0.390 0.000 2.083 304 L HA -0.177 4.155 4.340 -0.012 0.000 0.209 304 L C 2.928 179.668 176.870 -0.217 0.000 1.083 304 L CA 1.442 56.111 54.840 -0.285 0.000 0.752 304 L CB -0.496 41.439 42.059 -0.207 0.000 0.899 304 L HN 0.364 nan 8.230 nan 0.000 0.433 305 Q N -0.701 118.966 119.800 -0.220 0.000 2.124 305 Q HA -0.252 4.081 4.340 -0.012 0.000 0.202 305 Q C 1.762 177.712 176.000 -0.084 0.000 0.977 305 Q CA 1.726 57.452 55.803 -0.129 0.000 0.850 305 Q CB -0.120 28.533 28.738 -0.141 0.000 0.901 305 Q HN 0.401 nan 8.270 nan 0.000 0.429 306 D N 0.537 120.868 120.400 -0.115 0.000 2.117 306 D HA -0.102 4.531 4.640 -0.012 0.000 0.198 306 D C 1.643 177.855 176.300 -0.147 0.000 0.982 306 D CA 0.862 54.831 54.000 -0.052 0.000 0.828 306 D CB -0.007 40.873 40.800 0.133 0.000 0.967 306 D HN 0.160 nan 8.370 nan 0.000 0.464 307 I N 0.068 120.449 120.570 -0.314 0.000 2.179 307 I HA -0.240 3.922 4.170 -0.012 0.000 0.242 307 I C 2.303 178.422 176.117 0.004 0.000 1.088 307 I CA 0.767 61.836 61.300 -0.386 0.000 1.357 307 I CB -0.140 37.490 38.000 -0.617 0.000 1.051 307 I HN 0.048 nan 8.210 nan 0.000 0.409 308 I N 0.248 120.875 120.570 0.095 0.000 2.252 308 I HA -0.290 3.873 4.170 -0.012 0.000 0.245 308 I C 2.761 179.037 176.117 0.265 0.000 1.102 308 I CA 1.191 62.665 61.300 0.289 0.000 1.385 308 I CB -0.369 37.746 38.000 0.192 0.000 1.064 308 I HN 0.176 nan 8.210 nan 0.000 0.414 309 R N 1.109 121.688 120.500 0.133 0.000 2.083 309 R HA -0.212 4.121 4.340 -0.012 0.000 0.237 309 R C 2.495 178.859 176.300 0.106 0.000 1.137 309 R CA 1.654 57.819 56.100 0.109 0.000 0.951 309 R CB -0.247 30.100 30.300 0.079 0.000 0.851 309 R HN 0.187 nan 8.270 nan 0.000 0.434 310 R N -0.649 119.903 120.500 0.087 0.000 2.092 310 R HA -0.156 4.176 4.340 -0.012 0.000 0.231 310 R C 2.125 178.510 176.300 0.141 0.000 1.119 310 R CA 1.625 57.782 56.100 0.095 0.000 0.970 310 R CB -0.334 30.003 30.300 0.061 0.000 0.864 310 R HN 0.300 nan 8.270 nan 0.000 0.440 311 F N 1.485 121.464 119.950 0.048 0.000 2.146 311 F HA -0.122 4.397 4.527 -0.013 0.000 0.298 311 F C 1.672 177.473 175.800 0.003 0.000 1.096 311 F CA 1.539 59.565 58.000 0.043 0.000 1.275 311 F CB 0.023 39.115 39.000 0.154 0.000 1.008 311 F HN -0.149 nan 8.300 nan 0.000 0.480 312 K N -0.242 120.086 120.400 -0.121 0.000 2.148 312 K HA -0.047 4.266 4.320 -0.012 0.000 0.204 312 K C 1.823 178.317 176.600 -0.176 0.000 1.050 312 K CA 1.344 57.481 56.287 -0.249 0.000 0.942 312 K CB -0.269 32.203 32.500 -0.046 0.000 0.724 312 K HN 0.155 nan 8.250 nan 0.000 0.446 313 S N 1.069 116.734 115.700 -0.059 0.000 2.650 313 S HA 0.058 4.520 4.470 -0.012 0.000 0.219 313 S C 0.518 175.106 174.600 -0.019 0.000 0.960 313 S CA -0.190 58.017 58.200 0.011 0.000 0.925 313 S CB 0.078 63.343 63.200 0.108 0.000 0.775 313 S HN 0.150 nan 8.310 nan 0.000 0.525 325 N N 0.950 119.606 118.700 -0.073 0.000 3.034 325 N HA 0.253 4.986 4.740 -0.012 0.000 0.265 325 N C -0.148 175.431 175.510 0.115 0.000 1.166 325 N CA -0.075 52.997 53.050 0.037 0.000 1.081 325 N CB -0.021 38.481 38.487 0.025 0.000 1.378 325 N HN 0.150 nan 8.380 nan 0.000 0.520 326 F N 0.922 120.994 119.950 0.203 0.000 2.604 326 F HA -0.001 4.518 4.527 -0.012 0.000 0.298 326 F C 1.652 177.520 175.800 0.114 0.000 1.131 326 F CA 0.316 58.401 58.000 0.141 0.000 1.457 326 F CB 0.146 39.111 39.000 -0.059 0.000 1.095 326 F HN 0.388 nan 8.300 nan 0.000 0.574 327 D N 0.325 120.869 120.400 0.240 0.000 2.158 327 D HA -0.212 4.421 4.640 -0.012 0.000 0.197 327 D C 2.170 178.562 176.300 0.154 0.000 0.995 327 D CA 1.474 55.569 54.000 0.159 0.000 0.846 327 D CB -0.125 40.743 40.800 0.114 0.000 0.941 327 D HN 0.241 nan 8.370 nan 0.000 0.456 328 A N -0.983 121.957 122.820 0.199 0.000 2.218 328 A HA 0.076 4.388 4.320 -0.012 0.000 0.209 328 A C 1.645 179.348 177.584 0.198 0.000 1.168 328 A CA -0.202 51.950 52.037 0.191 0.000 0.804 328 A CB -0.738 18.383 19.000 0.201 0.000 0.834 328 A HN 0.253 nan 8.150 nan 0.000 0.482 329 F N 1.919 121.838 119.950 -0.053 0.000 2.063 329 F HA -0.176 4.343 4.527 -0.012 0.000 0.298 329 F C -0.721 174.973 175.800 -0.177 0.000 1.109 329 F CA 2.697 60.460 58.000 -0.395 0.000 1.212 329 F CB -0.554 38.210 39.000 -0.394 0.000 0.973 329 F HN 0.208 nan 8.300 nan 0.000 0.480 330 P HA -0.096 nan 4.420 nan 0.000 0.228 330 P C 0.552 177.796 177.300 -0.093 0.000 1.151 330 P CA 1.430 64.478 63.100 -0.087 0.000 0.770 330 P CB -0.108 31.575 31.700 -0.029 0.000 0.786 331 D N -0.835 119.535 120.400 -0.051 0.000 2.323 331 D HA -0.013 4.619 4.640 -0.012 0.000 0.209 331 D C 1.444 177.721 176.300 -0.039 0.000 0.973 331 D CA 0.813 54.797 54.000 -0.027 0.000 0.874 331 D CB 0.143 40.949 40.800 0.011 0.000 0.930 331 D HN 0.147 nan 8.370 nan 0.000 0.521 332 K N 0.154 120.507 120.400 -0.077 0.000 2.402 332 K HA 0.224 4.537 4.320 -0.012 0.000 0.203 332 K C -0.166 176.340 176.600 -0.157 0.000 1.077 332 K CA 0.025 56.277 56.287 -0.058 0.000 1.051 332 K CB 2.410 34.973 32.500 0.104 0.000 0.907 332 K HN -0.067 nan 8.250 nan 0.000 0.554 333 V N 0.983 120.716 119.914 -0.302 0.000 2.686 333 V HA 0.606 4.718 4.120 -0.012 0.000 0.306 333 V C -1.094 174.889 176.094 -0.184 0.000 1.065 333 V CA -1.280 60.836 62.300 -0.308 0.000 0.894 333 V CB 1.841 33.181 31.823 -0.804 0.000 1.004 333 V HN 0.112 nan 8.190 nan 0.000 0.424 334 A N 5.668 128.430 122.820 -0.097 0.000 2.343 334 A HA 0.935 5.248 4.320 -0.012 0.000 0.316 334 A C -0.950 176.650 177.584 0.026 0.000 1.104 334 A CA -0.504 51.516 52.037 -0.029 0.000 0.768 334 A CB 1.006 19.956 19.000 -0.083 0.000 1.213 334 A HN 0.773 nan 8.150 nan 0.000 0.456 335 I N 1.789 122.420 120.570 0.102 0.000 2.382 335 I HA 0.287 4.450 4.170 -0.012 0.000 0.286 335 I C -0.261 175.946 176.117 0.149 0.000 1.002 335 I CA -0.513 60.862 61.300 0.124 0.000 1.135 335 I CB 1.902 39.955 38.000 0.088 0.000 1.288 335 I HN 0.699 nan 8.210 nan 0.000 0.448 336 Q N 6.746 126.634 119.800 0.147 0.000 2.303 336 Q HA 0.488 4.821 4.340 -0.012 0.000 0.257 336 Q C -1.281 174.719 176.000 0.001 0.000 0.941 336 Q CA -0.220 55.688 55.803 0.175 0.000 0.931 336 Q CB 1.213 30.152 28.738 0.335 0.000 1.215 336 Q HN 0.569 nan 8.270 nan 0.000 0.437 337 L N 3.915 125.176 121.223 0.064 0.000 2.261 337 L HA 0.377 4.710 4.340 -0.012 0.000 0.289 337 L C 0.038 176.939 176.870 0.052 0.000 1.059 337 L CA -0.690 54.186 54.840 0.060 0.000 0.816 337 L CB 0.616 42.759 42.059 0.139 0.000 1.191 337 L HN 0.568 nan 8.230 nan 0.000 0.431 338 N N 3.557 122.221 118.700 -0.060 0.000 2.482 338 N HA 0.110 4.842 4.740 -0.012 0.000 0.242 338 N C -0.180 175.339 175.510 0.014 0.000 1.100 338 N CA 0.318 53.360 53.050 -0.012 0.000 0.946 338 N CB 0.014 38.397 38.487 -0.173 0.000 1.227 338 N HN 0.688 nan 8.380 nan 0.000 0.508 339 D N -0.282 120.218 120.400 0.167 0.000 3.841 339 D HA -0.261 4.371 4.640 -0.012 0.000 0.276 339 D C 0.457 176.855 176.300 0.163 0.000 2.088 339 D CA 2.135 56.214 54.000 0.131 0.000 1.152 339 D CB -0.343 40.314 40.800 -0.239 0.000 0.944 339 D HN 0.522 nan 8.370 nan 0.000 1.144 340 T N -3.316 111.273 114.554 0.058 0.000 3.100 340 T HA 0.099 4.441 4.350 -0.012 0.000 0.253 340 T C 1.458 176.245 174.700 0.146 0.000 1.118 340 T CA 1.392 63.531 62.100 0.064 0.000 1.058 340 T CB -0.485 68.400 68.868 0.028 0.000 0.953 340 T HN 0.523 nan 8.240 nan 0.000 0.515 341 H N 2.760 121.933 119.070 0.172 0.000 2.353 341 H HA -0.020 4.528 4.556 -0.012 0.000 0.298 341 H C -0.883 174.544 175.328 0.166 0.000 1.103 341 H CA 1.157 57.319 56.048 0.190 0.000 1.293 341 H CB -0.977 28.891 29.762 0.176 0.000 1.372 341 H HN 0.442 nan 8.280 nan 0.000 0.501 342 P HA 0.092 nan 4.420 nan 0.000 0.254 342 P C 0.655 178.007 177.300 0.087 0.000 1.620 342 P CA 0.309 63.497 63.100 0.147 0.000 1.050 342 P CB 0.362 32.138 31.700 0.125 0.000 1.539 343 S N -0.241 115.507 115.700 0.080 0.000 2.440 343 S HA -0.132 4.331 4.470 -0.012 0.000 0.238 343 S C 1.741 176.350 174.600 0.015 0.000 1.010 343 S CA 0.809 59.017 58.200 0.012 0.000 0.972 343 S CB -1.477 61.712 63.200 -0.019 0.000 0.774 343 S HN 0.155 nan 8.310 nan 0.000 0.501 344 L N 1.067 122.313 121.223 0.038 0.000 2.450 344 L HA 0.014 4.346 4.340 -0.012 0.000 0.224 344 L C 2.946 179.849 176.870 0.055 0.000 1.149 344 L CA 0.634 55.495 54.840 0.035 0.000 0.816 344 L CB -0.794 41.282 42.059 0.027 0.000 0.932 344 L HN 0.464 nan 8.230 nan 0.000 0.449 345 A N 0.585 123.421 122.820 0.026 0.000 1.986 345 A HA -0.215 4.098 4.320 -0.012 0.000 0.220 345 A C 2.184 179.763 177.584 -0.007 0.000 1.171 345 A CA 1.637 53.673 52.037 -0.001 0.000 0.640 345 A CB -0.498 18.493 19.000 -0.014 0.000 0.811 345 A HN 0.387 nan 8.150 nan 0.000 0.451 346 I N 0.194 120.760 120.570 -0.005 0.000 2.133 346 I HA -0.128 4.035 4.170 -0.012 0.000 0.238 346 I C -0.343 175.784 176.117 0.017 0.000 1.074 346 I CA 1.431 62.721 61.300 -0.017 0.000 1.342 346 I CB -0.944 37.044 38.000 -0.020 0.000 1.053 346 I HN 0.233 nan 8.210 nan 0.000 0.404 347 P HA -0.177 nan 4.420 nan 0.000 0.221 347 P C 1.277 178.612 177.300 0.058 0.000 1.150 347 P CA 1.506 64.645 63.100 0.065 0.000 0.800 347 P CB 0.046 31.809 31.700 0.105 0.000 0.787 348 E N 0.207 120.497 120.200 0.151 0.000 2.072 348 E HA -0.149 4.193 4.350 -0.012 0.000 0.191 348 E C 1.941 178.528 176.600 -0.022 0.000 0.985 348 E CA 0.659 57.160 56.400 0.167 0.000 0.801 348 E CB -1.214 28.633 29.700 0.246 0.000 0.750 348 E HN -0.023 nan 8.360 nan 0.000 0.452 349 L N 0.049 121.227 121.223 -0.075 0.000 2.012 349 L HA -0.137 4.195 4.340 -0.012 0.000 0.210 349 L C 2.102 178.827 176.870 -0.241 0.000 1.073 349 L CA 1.818 56.553 54.840 -0.174 0.000 0.748 349 L CB -0.653 41.306 42.059 -0.166 0.000 0.891 349 L HN 0.249 nan 8.230 nan 0.000 0.431 350 M N -0.780 118.693 119.600 -0.213 0.000 2.108 350 M HA -0.242 4.231 4.480 -0.012 0.000 0.261 350 M C 2.430 178.565 176.300 -0.274 0.000 1.066 350 M CA 1.645 56.768 55.300 -0.295 0.000 1.107 350 M CB -1.310 31.104 32.600 -0.310 0.000 1.356 350 M HN 0.342 nan 8.290 nan 0.000 0.406 351 R N -0.020 120.348 120.500 -0.220 0.000 2.073 351 R HA -0.124 4.208 4.340 -0.012 0.000 0.234 351 R C 2.073 178.268 176.300 -0.176 0.000 1.134 351 R CA 1.668 57.639 56.100 -0.214 0.000 0.952 351 R CB -0.179 29.942 30.300 -0.299 0.000 0.850 351 R HN 0.224 nan 8.270 nan 0.000 0.433 352 V N 1.521 121.328 119.914 -0.179 0.000 2.343 352 V HA -0.248 3.864 4.120 -0.012 0.000 0.247 352 V C 2.420 178.342 176.094 -0.286 0.000 1.051 352 V CA 1.676 63.861 62.300 -0.192 0.000 1.036 352 V CB -0.402 31.305 31.823 -0.192 0.000 0.654 352 V HN 0.339 nan 8.190 nan 0.000 0.451 353 L N -0.663 120.330 121.223 -0.383 0.000 2.056 353 L HA -0.124 4.208 4.340 -0.012 0.000 0.207 353 L C 2.412 179.099 176.870 -0.304 0.000 1.078 353 L CA 1.156 55.708 54.840 -0.479 0.000 0.749 353 L CB -0.602 41.136 42.059 -0.535 0.000 0.901 353 L HN 0.200 nan 8.230 nan 0.000 0.433 354 V N -0.509 119.269 119.914 -0.226 0.000 2.331 354 V HA -0.183 3.929 4.120 -0.012 0.000 0.242 354 V C 1.935 177.989 176.094 -0.066 0.000 1.034 354 V CA 1.697 63.929 62.300 -0.115 0.000 1.027 354 V CB -0.349 31.439 31.823 -0.059 0.000 0.667 354 V HN 0.358 nan 8.190 nan 0.000 0.457 355 D N -0.116 120.239 120.400 -0.075 0.000 2.194 355 D HA 0.009 4.641 4.640 -0.012 0.000 0.204 355 D C 1.989 178.263 176.300 -0.042 0.000 0.964 355 D CA 1.084 55.058 54.000 -0.042 0.000 0.846 355 D CB 0.107 40.880 40.800 -0.044 0.000 0.962 355 D HN 0.340 nan 8.370 nan 0.000 0.490 356 L N 0.094 121.275 121.223 -0.071 0.000 2.362 356 L HA 0.139 4.472 4.340 -0.012 0.000 0.204 356 L C 1.863 178.704 176.870 -0.048 0.000 1.060 356 L CA 0.460 55.269 54.840 -0.051 0.000 0.827 356 L CB 0.105 42.132 42.059 -0.053 0.000 1.027 356 L HN -0.200 nan 8.230 nan 0.000 0.474 357 E N 0.324 120.462 120.200 -0.103 0.000 2.447 357 E HA 0.048 4.391 4.350 -0.012 0.000 0.195 357 E C 0.097 176.669 176.600 -0.047 0.000 1.028 357 E CA -0.036 56.316 56.400 -0.081 0.000 0.876 357 E CB 0.408 29.950 29.700 -0.263 0.000 0.885 357 E HN 0.193 nan 8.360 nan 0.000 0.500 358 R N -0.244 120.221 120.500 -0.058 0.000 3.776 358 R HA -0.181 4.151 4.340 -0.012 0.000 0.312 358 R C -0.272 176.018 176.300 -0.016 0.000 1.181 358 R CA 0.223 56.311 56.100 -0.020 0.000 0.836 358 R CB -2.882 27.423 30.300 0.008 0.000 1.324 358 R HN 0.092 nan 8.270 nan 0.000 0.501 359 L N 2.456 123.643 121.223 -0.061 0.000 2.452 359 L HA 0.094 4.427 4.340 -0.012 0.000 0.267 359 L C 1.444 178.311 176.870 -0.006 0.000 1.188 359 L CA 0.451 55.264 54.840 -0.045 0.000 0.821 359 L CB 0.347 42.332 42.059 -0.123 0.000 1.102 359 L HN 0.136 nan 8.230 nan 0.000 0.470 360 D N 1.076 121.497 120.400 0.035 0.000 2.357 360 D HA -0.134 4.498 4.640 -0.012 0.000 0.242 360 D C 0.988 177.361 176.300 0.122 0.000 1.153 360 D CA -0.522 53.533 54.000 0.092 0.000 0.918 360 D CB 0.624 41.483 40.800 0.099 0.000 1.181 360 D HN 0.604 nan 8.370 nan 0.000 0.435 361 W N 1.624 122.929 121.300 0.010 0.000 2.301 361 W HA -0.241 4.412 4.660 -0.012 0.000 0.325 361 W C 1.059 177.628 176.519 0.083 0.000 1.250 361 W CA 1.989 59.348 57.345 0.024 0.000 1.261 361 W CB -0.233 29.221 29.460 -0.010 0.000 1.157 361 W HN 0.448 nan 8.180 nan 0.000 0.473 362 D N 0.120 120.719 120.400 0.332 0.000 2.144 362 D HA -0.182 4.451 4.640 -0.012 0.000 0.199 362 D C 1.866 178.277 176.300 0.185 0.000 0.984 362 D CA 1.729 55.903 54.000 0.290 0.000 0.834 362 D CB -0.335 40.604 40.800 0.232 0.000 0.955 362 D HN 0.118 nan 8.370 nan 0.000 0.465 363 K N 1.202 121.666 120.400 0.106 0.000 2.062 363 K HA 0.051 4.364 4.320 -0.012 0.000 0.205 363 K C 1.883 178.479 176.600 -0.007 0.000 1.051 363 K CA 1.244 57.566 56.287 0.057 0.000 0.941 363 K CB -0.440 32.089 32.500 0.048 0.000 0.719 363 K HN -0.026 nan 8.250 nan 0.000 0.440 364 A N 0.796 123.570 122.820 -0.076 0.000 1.908 364 A HA -0.205 4.107 4.320 -0.012 0.000 0.218 364 A C 2.223 179.709 177.584 -0.164 0.000 1.181 364 A CA 1.588 53.509 52.037 -0.193 0.000 0.627 364 A CB -1.256 17.564 19.000 -0.301 0.000 0.818 364 A HN 0.707 nan 8.150 nan 0.000 0.445 365 W N 0.684 121.777 121.300 -0.345 0.000 2.358 365 W HA -0.185 4.467 4.660 -0.012 0.000 0.303 365 W C 1.974 178.434 176.519 -0.099 0.000 1.208 365 W CA 1.900 59.089 57.345 -0.261 0.000 1.274 365 W CB -0.155 29.186 29.460 -0.198 0.000 1.138 365 W HN 0.636 nan 8.180 nan 0.000 0.515 366 E N 0.172 120.362 120.200 -0.017 0.000 2.038 366 E HA -0.243 4.100 4.350 -0.012 0.000 0.195 366 E C 2.057 178.578 176.600 -0.132 0.000 1.000 366 E CA 2.310 58.670 56.400 -0.066 0.000 0.803 366 E CB -0.432 29.287 29.700 0.031 0.000 0.750 366 E HN 0.040 nan 8.360 nan 0.000 0.448 367 V N 0.795 120.649 119.914 -0.099 0.000 2.287 367 V HA -0.288 3.824 4.120 -0.012 0.000 0.248 367 V C 2.421 178.452 176.094 -0.104 0.000 1.053 367 V CA 2.247 64.510 62.300 -0.062 0.000 1.027 367 V CB -0.869 30.922 31.823 -0.054 0.000 0.646 367 V HN 0.412 nan 8.190 nan 0.000 0.447 368 T N 0.052 114.465 114.554 -0.235 0.000 2.674 368 T HA -0.171 4.172 4.350 -0.012 0.000 0.265 368 T C 1.957 176.470 174.700 -0.312 0.000 1.039 368 T CA 1.770 63.701 62.100 -0.282 0.000 1.150 368 T CB -0.304 68.323 68.868 -0.400 0.000 0.864 368 T HN 0.285 nan 8.240 nan 0.000 0.427 369 V N 1.508 121.118 119.914 -0.506 0.000 2.332 369 V HA -0.186 3.926 4.120 -0.012 0.000 0.248 369 V C 2.340 178.387 176.094 -0.080 0.000 1.055 369 V CA 1.661 63.731 62.300 -0.382 0.000 1.038 369 V CB -0.528 30.997 31.823 -0.498 0.000 0.651 369 V HN 0.472 nan 8.190 nan 0.000 0.450 370 K N -0.460 119.876 120.400 -0.106 0.000 2.283 370 K HA -0.080 4.232 4.320 -0.012 0.000 0.202 370 K C 2.099 178.665 176.600 -0.056 0.000 1.048 370 K CA 1.507 57.714 56.287 -0.133 0.000 0.948 370 K CB -0.216 32.205 32.500 -0.132 0.000 0.742 370 K HN 0.470 nan 8.250 nan 0.000 0.458 371 T N 0.192 114.764 114.554 0.029 0.000 2.939 371 T HA 0.017 4.360 4.350 -0.012 0.000 0.254 371 T C 0.885 175.680 174.700 0.159 0.000 1.041 371 T CA 0.425 62.572 62.100 0.078 0.000 1.142 371 T CB 0.102 69.041 68.868 0.119 0.000 0.874 371 T HN 0.165 nan 8.240 nan 0.000 0.452 372 C N 2.483 121.861 119.300 0.130 0.000 2.388 372 C HA 0.876 5.329 4.460 -0.012 0.000 0.362 372 C C 0.632 175.671 174.990 0.081 0.000 1.266 372 C CA -1.256 57.819 59.018 0.094 0.000 2.028 372 C CB -0.031 27.705 27.740 -0.007 0.000 2.440 372 C HN 0.597 nan 8.230 nan 0.000 0.547 373 A N 2.380 125.244 122.820 0.074 0.000 2.454 373 A HA 0.801 5.114 4.320 -0.012 0.000 0.302 373 A C -1.572 176.073 177.584 0.102 0.000 1.079 373 A CA -0.444 51.581 52.037 -0.021 0.000 0.731 373 A CB 1.097 20.079 19.000 -0.029 0.000 1.299 373 A HN 0.929 nan 8.150 nan 0.000 0.413 374 Y N 0.861 121.099 120.300 -0.104 0.000 2.361 374 Y HA 0.602 5.145 4.550 -0.012 0.000 0.337 374 Y C -0.572 175.296 175.900 -0.054 0.000 0.965 374 Y CA -0.314 57.736 58.100 -0.083 0.000 1.091 374 Y CB 2.035 40.400 38.460 -0.158 0.000 1.182 374 Y HN 0.579 nan 8.280 nan 0.000 0.450 375 T N 6.518 120.844 114.554 -0.379 0.000 2.758 375 T HA 0.183 4.526 4.350 -0.012 0.000 0.285 375 T C -0.713 173.502 174.700 -0.807 0.000 0.981 375 T CA -0.788 61.023 62.100 -0.483 0.000 0.965 375 T CB 0.465 69.278 68.868 -0.092 0.000 0.927 375 T HN 0.649 nan 8.240 nan 0.000 0.448 376 N N 1.857 120.081 118.700 -0.793 0.000 2.479 376 N HA 0.114 4.847 4.740 -0.012 0.000 0.285 376 N C -0.067 175.303 175.510 -0.232 0.000 1.075 376 N CA -0.300 52.519 53.050 -0.385 0.000 0.967 376 N CB 0.714 39.164 38.487 -0.061 0.000 1.137 376 N HN 0.678 nan 8.380 nan 0.000 0.472 377 H N 1.081 120.170 119.070 0.033 0.000 2.785 377 H HA 0.182 4.730 4.556 -0.013 0.000 0.268 377 H C -0.310 174.951 175.328 -0.110 0.000 1.153 377 H CA -0.112 55.912 56.048 -0.040 0.000 1.111 377 H CB 1.060 30.796 29.762 -0.043 0.000 1.633 377 H HN 0.497 nan 8.280 nan 0.000 0.576 378 T N 0.396 114.986 114.554 0.061 0.000 2.886 378 T HA 0.227 4.569 4.350 -0.012 0.000 0.330 378 T C 0.397 175.136 174.700 0.065 0.000 1.488 378 T CA -0.391 61.700 62.100 -0.015 0.000 1.054 378 T CB 1.423 70.280 68.868 -0.018 0.000 1.348 378 T HN -0.013 nan 8.240 nan 0.000 0.489 379 V N 1.667 121.572 119.914 -0.014 0.000 3.477 379 V HA 0.560 4.673 4.120 -0.012 0.000 0.297 379 V C 0.621 176.681 176.094 -0.057 0.000 1.433 379 V CA -0.079 62.202 62.300 -0.032 0.000 1.052 379 V CB -0.187 31.621 31.823 -0.025 0.000 0.895 379 V HN 0.697 nan 8.190 nan 0.000 0.438 380 L N 3.505 124.686 121.223 -0.070 0.000 2.530 380 L HA 0.222 4.554 4.340 -0.012 0.000 0.273 380 L C -0.612 176.265 176.870 0.011 0.000 1.141 380 L CA -0.908 53.915 54.840 -0.029 0.000 0.905 380 L CB 1.211 43.243 42.059 -0.044 0.000 1.202 380 L HN 0.175 nan 8.230 nan 0.000 0.473 381 P HA -0.211 nan 4.420 nan 0.000 0.216 381 P C 1.000 178.320 177.300 0.033 0.000 1.150 381 P CA 1.178 64.283 63.100 0.008 0.000 0.837 381 P CB 0.068 31.770 31.700 0.003 0.000 0.786 382 E N 0.309 120.552 120.200 0.070 0.000 2.409 382 E HA -0.063 4.280 4.350 -0.012 0.000 0.198 382 E C 1.643 178.351 176.600 0.180 0.000 1.024 382 E CA 1.069 57.535 56.400 0.110 0.000 0.861 382 E CB -0.670 29.093 29.700 0.104 0.000 0.788 382 E HN 0.198 nan 8.360 nan 0.000 0.521 383 A N 1.451 124.359 122.820 0.147 0.000 2.030 383 A HA 0.196 4.508 4.320 -0.012 0.000 0.215 383 A C 1.498 179.123 177.584 0.069 0.000 1.164 383 A CA -0.240 51.894 52.037 0.162 0.000 0.697 383 A CB -0.164 18.906 19.000 0.116 0.000 0.827 383 A HN 0.175 nan 8.150 nan 0.000 0.457 384 L N 1.686 122.896 121.223 -0.021 0.000 2.525 384 L HA 0.026 4.358 4.340 -0.012 0.000 0.278 384 L C -0.047 176.528 176.870 -0.493 0.000 1.218 384 L CA 0.038 54.793 54.840 -0.143 0.000 0.878 384 L CB 0.266 42.265 42.059 -0.100 0.000 1.127 384 L HN 0.395 nan 8.230 nan 0.000 0.492 385 E N 4.187 124.008 120.200 -0.632 0.000 2.223 385 E HA 0.221 4.563 4.350 -0.012 0.000 0.282 385 E C -0.624 175.368 176.600 -1.014 0.000 1.046 385 E CA -0.209 55.360 56.400 -1.385 0.000 0.857 385 E CB 0.708 29.960 29.700 -0.747 0.000 1.055 385 E HN 0.388 nan 8.360 nan 0.000 0.409 386 R N 3.563 123.323 120.500 -1.233 0.000 2.472 386 R HA 0.200 4.532 4.340 -0.012 0.000 0.294 386 R C -1.298 174.862 176.300 -0.232 0.000 1.243 386 R CA -0.528 55.291 56.100 -0.469 0.000 1.023 386 R CB 0.778 30.930 30.300 -0.246 0.000 1.157 386 R HN 0.462 nan 8.270 nan 0.000 0.530 387 W N 4.635 125.928 121.300 -0.012 0.000 2.311 387 W HA 0.252 4.904 4.660 -0.012 0.000 0.310 387 W C -1.860 174.669 176.519 0.016 0.000 1.274 387 W CA -2.066 55.333 57.345 0.090 0.000 1.215 387 W CB 0.679 30.163 29.460 0.040 0.000 1.227 387 W HN 0.259 nan 8.180 nan 0.000 0.523 388 P HA -0.108 nan 4.420 nan 0.000 0.264 388 P C 0.824 178.104 177.300 -0.033 0.000 1.183 388 P CA 0.233 63.356 63.100 0.037 0.000 0.763 388 P CB 0.751 32.337 31.700 -0.190 0.000 0.807 389 V N 3.178 123.115 119.914 0.038 0.000 2.332 389 V HA -0.289 3.824 4.120 -0.012 0.000 0.248 389 V C 2.158 178.272 176.094 0.034 0.000 1.055 389 V CA 2.594 64.930 62.300 0.059 0.000 1.038 389 V CB -1.673 30.248 31.823 0.162 0.000 0.651 389 V HN 0.772 nan 8.190 nan 0.000 0.450 390 H N -1.163 117.975 119.070 0.114 0.000 2.421 390 H HA -0.097 4.452 4.556 -0.012 0.000 0.298 390 H C 2.050 177.435 175.328 0.095 0.000 1.087 390 H CA 1.710 57.818 56.048 0.101 0.000 1.330 390 H CB -0.554 29.267 29.762 0.099 0.000 1.388 390 H HN 0.359 nan 8.280 nan 0.000 0.526 391 L N -0.059 120.975 121.223 -0.316 0.000 2.027 391 L HA -0.098 4.234 4.340 -0.012 0.000 0.206 391 L C 2.348 179.171 176.870 -0.077 0.000 1.074 391 L CA 1.095 55.867 54.840 -0.114 0.000 0.745 391 L CB -0.238 41.748 42.059 -0.121 0.000 0.898 391 L HN 0.322 nan 8.230 nan 0.000 0.433 392 L N -0.623 120.534 121.223 -0.110 0.000 2.141 392 L HA -0.234 4.099 4.340 -0.012 0.000 0.209 392 L C 2.428 179.242 176.870 -0.093 0.000 1.094 392 L CA 1.060 55.813 54.840 -0.146 0.000 0.763 392 L CB -0.351 41.611 42.059 -0.161 0.000 0.908 392 L HN 0.293 nan 8.230 nan 0.000 0.437 393 E N -0.539 119.648 120.200 -0.021 0.000 2.085 393 E HA -0.208 4.135 4.350 -0.012 0.000 0.194 393 E C 1.961 178.605 176.600 0.072 0.000 0.994 393 E CA 1.900 58.319 56.400 0.033 0.000 0.801 393 E CB 0.137 29.897 29.700 0.099 0.000 0.743 393 E HN 0.407 nan 8.360 nan 0.000 0.453 394 T N 0.495 115.115 114.554 0.109 0.000 2.809 394 T HA -0.069 4.273 4.350 -0.012 0.000 0.260 394 T C 1.722 176.545 174.700 0.205 0.000 1.039 394 T CA 0.728 62.946 62.100 0.196 0.000 1.141 394 T CB -0.101 68.912 68.868 0.242 0.000 0.869 394 T HN 0.064 nan 8.240 nan 0.000 0.437 395 L N -0.072 121.167 121.223 0.027 0.000 2.127 395 L HA 0.362 4.695 4.340 -0.012 0.000 0.203 395 L C 0.359 177.184 176.870 -0.074 0.000 1.080 395 L CA 1.520 56.256 54.840 -0.173 0.000 0.768 395 L CB 0.106 42.017 42.059 -0.246 0.000 0.924 395 L HN 0.155 nan 8.230 nan 0.000 0.444 396 L N 0.822 121.963 121.223 -0.136 0.000 2.551 396 L HA 0.297 4.629 4.340 -0.012 0.000 0.248 396 L C -1.716 174.993 176.870 -0.269 0.000 1.509 396 L CA -1.005 53.675 54.840 -0.267 0.000 0.842 396 L CB 0.931 42.685 42.059 -0.508 0.000 1.087 396 L HN -0.041 nan 8.230 nan 0.000 0.512 397 P HA -0.199 nan 4.420 nan 0.000 0.215 397 P C 1.484 178.593 177.300 -0.318 0.000 1.153 397 P CA 1.199 64.185 63.100 -0.190 0.000 0.853 397 P CB 0.352 32.014 31.700 -0.063 0.000 0.788 398 R N -0.406 119.724 120.500 -0.617 0.000 2.092 398 R HA -0.143 4.189 4.340 -0.012 0.000 0.231 398 R C 2.330 178.310 176.300 -0.533 0.000 1.119 398 R CA 1.491 57.229 56.100 -0.603 0.000 0.970 398 R CB -1.268 28.527 30.300 -0.841 0.000 0.864 398 R HN 0.225 nan 8.270 nan 0.000 0.440 399 H N -0.189 118.562 119.070 -0.532 0.000 2.387 399 H HA -0.072 4.476 4.556 -0.012 0.000 0.299 399 H C 1.828 176.981 175.328 -0.292 0.000 1.090 399 H CA 1.702 57.525 56.048 -0.375 0.000 1.332 399 H CB -0.117 29.388 29.762 -0.428 0.000 1.386 399 H HN 0.102 nan 8.280 nan 0.000 0.516 400 L N 0.541 121.634 121.223 -0.218 0.000 2.012 400 L HA -0.273 4.060 4.340 -0.012 0.000 0.210 400 L C 1.942 178.590 176.870 -0.370 0.000 1.073 400 L CA 1.659 56.291 54.840 -0.348 0.000 0.748 400 L CB -0.299 41.569 42.059 -0.318 0.000 0.891 400 L HN 0.455 nan 8.230 nan 0.000 0.431 401 Q N -0.412 119.291 119.800 -0.161 0.000 2.124 401 Q HA -0.229 4.104 4.340 -0.012 0.000 0.202 401 Q C 2.147 178.164 176.000 0.028 0.000 0.977 401 Q CA 1.579 57.385 55.803 0.005 0.000 0.850 401 Q CB -0.089 28.662 28.738 0.021 0.000 0.901 401 Q HN 0.553 nan 8.270 nan 0.000 0.429 402 I N 0.334 120.902 120.570 -0.004 0.000 2.252 402 I HA -0.266 3.897 4.170 -0.012 0.000 0.245 402 I C 2.105 178.310 176.117 0.147 0.000 1.102 402 I CA 1.015 62.403 61.300 0.146 0.000 1.385 402 I CB -0.127 37.914 38.000 0.068 0.000 1.064 402 I HN 0.170 nan 8.210 nan 0.000 0.414 403 I N -0.466 120.108 120.570 0.006 0.000 2.208 403 I HA -0.332 3.830 4.170 -0.012 0.000 0.245 403 I C 2.403 178.556 176.117 0.060 0.000 1.097 403 I CA 1.498 62.794 61.300 -0.006 0.000 1.363 403 I CB -0.477 37.453 38.000 -0.116 0.000 1.051 403 I HN 0.157 nan 8.210 nan 0.000 0.413 404 Y N 0.884 121.200 120.300 0.027 0.000 2.165 404 Y HA -0.288 4.255 4.550 -0.012 0.000 0.286 404 Y C 2.632 178.510 175.900 -0.038 0.000 1.155 404 Y CA 1.642 59.743 58.100 0.002 0.000 1.164 404 Y CB -0.881 37.572 38.460 -0.012 0.000 0.978 404 Y HN 0.212 nan 8.280 nan 0.000 0.513 405 E N 0.379 120.630 120.200 0.085 0.000 2.072 405 E HA -0.147 4.195 4.350 -0.012 0.000 0.191 405 E C 2.116 178.648 176.600 -0.114 0.000 0.985 405 E CA 1.279 57.592 56.400 -0.145 0.000 0.801 405 E CB -0.566 28.878 29.700 -0.427 0.000 0.750 405 E HN 0.466 nan 8.360 nan 0.000 0.452 406 I N 0.760 121.370 120.570 0.067 0.000 2.151 406 I HA -0.329 3.833 4.170 -0.012 0.000 0.243 406 I C 2.288 178.415 176.117 0.016 0.000 1.080 406 I CA 1.566 62.866 61.300 -0.001 0.000 1.339 406 I CB -0.423 37.598 38.000 0.035 0.000 1.039 406 I HN 0.232 nan 8.210 nan 0.000 0.409 407 N N 0.596 119.355 118.700 0.097 0.000 2.120 407 N HA -0.253 4.480 4.740 -0.012 0.000 0.188 407 N C 1.854 177.453 175.510 0.149 0.000 1.024 407 N CA 1.435 54.590 53.050 0.176 0.000 0.852 407 N CB -0.130 38.477 38.487 0.201 0.000 1.003 407 N HN 0.322 nan 8.380 nan 0.000 0.424 408 Q N -0.046 119.787 119.800 0.055 0.000 2.050 408 Q HA -0.095 4.238 4.340 -0.012 0.000 0.202 408 Q C 1.986 177.971 176.000 -0.025 0.000 0.980 408 Q CA 1.259 57.057 55.803 -0.007 0.000 0.840 408 Q CB 0.041 28.736 28.738 -0.071 0.000 0.898 408 Q HN 0.377 nan 8.270 nan 0.000 0.424 409 R N -0.692 119.773 120.500 -0.058 0.000 2.075 409 R HA -0.116 4.216 4.340 -0.012 0.000 0.232 409 R C 2.189 178.514 176.300 0.041 0.000 1.126 409 R CA 1.248 57.307 56.100 -0.067 0.000 0.963 409 R CB -0.374 29.828 30.300 -0.162 0.000 0.858 409 R HN 0.261 nan 8.270 nan 0.000 0.435 410 F N 1.639 121.557 119.950 -0.053 0.000 2.102 410 F HA -0.123 4.396 4.527 -0.012 0.000 0.298 410 F C 1.901 177.720 175.800 0.033 0.000 1.105 410 F CA 1.373 59.389 58.000 0.027 0.000 1.239 410 F CB -0.234 38.815 39.000 0.082 0.000 0.991 410 F HN -0.106 nan 8.300 nan 0.000 0.474 411 L N -0.123 121.114 121.223 0.022 0.000 2.201 411 L HA -0.222 4.110 4.340 -0.012 0.000 0.212 411 L C 1.945 178.754 176.870 -0.102 0.000 1.105 411 L CA 1.495 56.286 54.840 -0.082 0.000 0.775 411 L CB -0.844 41.228 42.059 0.021 0.000 0.913 411 L HN 0.247 nan 8.230 nan 0.000 0.440 412 N N -0.230 118.428 118.700 -0.070 0.000 2.166 412 N HA -0.163 4.570 4.740 -0.012 0.000 0.186 412 N C 1.919 177.377 175.510 -0.087 0.000 1.019 412 N CA 0.736 53.745 53.050 -0.069 0.000 0.856 412 N CB -0.022 38.431 38.487 -0.056 0.000 0.993 412 N HN 0.252 nan 8.380 nan 0.000 0.426 413 R N 0.617 121.049 120.500 -0.113 0.000 2.081 413 R HA -0.066 4.267 4.340 -0.012 0.000 0.235 413 R C 2.145 178.344 176.300 -0.168 0.000 1.131 413 R CA 0.939 56.964 56.100 -0.125 0.000 0.960 413 R CB -0.287 29.946 30.300 -0.111 0.000 0.856 413 R HN 0.089 nan 8.270 nan 0.000 0.436 414 V N 0.746 120.503 119.914 -0.262 0.000 2.295 414 V HA -0.240 3.872 4.120 -0.012 0.000 0.246 414 V C 2.408 178.493 176.094 -0.015 0.000 1.049 414 V CA 1.983 64.189 62.300 -0.157 0.000 1.024 414 V CB -0.738 30.920 31.823 -0.274 0.000 0.648 414 V HN 0.417 nan 8.190 nan 0.000 0.447 415 A N -0.040 122.747 122.820 -0.055 0.000 1.933 415 A HA -0.097 4.215 4.320 -0.012 0.000 0.218 415 A C 2.367 179.928 177.584 -0.037 0.000 1.175 415 A CA 2.085 54.107 52.037 -0.025 0.000 0.628 415 A CB -0.664 18.314 19.000 -0.038 0.000 0.814 415 A HN 0.581 nan 8.150 nan 0.000 0.444 416 A N -0.572 122.208 122.820 -0.068 0.000 1.968 416 A HA 0.325 4.638 4.320 -0.012 0.000 0.217 416 A C 2.373 179.869 177.584 -0.146 0.000 1.169 416 A CA 1.610 53.595 52.037 -0.086 0.000 0.638 416 A CB -0.671 18.283 19.000 -0.077 0.000 0.812 416 A HN 0.945 nan 8.150 nan 0.000 0.446 417 A N -1.608 121.087 122.820 -0.208 0.000 1.970 417 A HA 0.351 4.663 4.320 -0.012 0.000 0.216 417 A C 0.442 177.567 177.584 -0.765 0.000 1.170 417 A CA 0.569 52.316 52.037 -0.484 0.000 0.645 417 A CB -0.196 18.472 19.000 -0.554 0.000 0.816 417 A HN 0.416 nan 8.150 nan 0.000 0.447 418 F N -0.056 119.846 119.950 -0.079 0.000 2.622 418 F HA 0.345 4.864 4.527 -0.013 0.000 0.338 418 F C -2.805 172.958 175.800 -0.062 0.000 1.334 418 F CA -2.787 55.171 58.000 -0.070 0.000 1.179 418 F CB 0.864 39.813 39.000 -0.084 0.000 1.471 418 F HN -0.064 nan 8.300 nan 0.000 0.576 419 P HA 0.248 nan 4.420 nan 0.000 0.268 419 P C 1.000 178.320 177.300 0.033 0.000 1.204 419 P CA 0.854 63.965 63.100 0.019 0.000 0.768 419 P CB 1.062 32.754 31.700 -0.014 0.000 0.842 420 G N 2.380 111.192 108.800 0.020 0.000 2.253 420 G HA2 -0.245 3.708 3.960 -0.012 0.000 0.251 420 G HA3 -0.245 3.708 3.960 -0.012 0.000 0.251 420 G C 0.353 175.262 174.900 0.015 0.000 0.998 420 G CA 0.036 45.145 45.100 0.014 0.000 0.621 420 G HN 0.608 nan 8.290 nan 0.000 0.524 421 D N 1.610 122.028 120.400 0.030 0.000 2.498 421 D HA 0.373 5.006 4.640 -0.012 0.000 0.229 421 D C 2.083 178.374 176.300 -0.016 0.000 1.188 421 D CA 0.461 54.464 54.000 0.006 0.000 1.028 421 D CB 0.466 41.268 40.800 0.003 0.000 1.087 421 D HN 0.599 nan 8.370 nan 0.000 0.510 422 V N 0.828 120.734 119.914 -0.014 0.000 2.548 422 V HA -0.107 4.005 4.120 -0.012 0.000 0.249 422 V C 1.783 177.865 176.094 -0.020 0.000 1.055 422 V CA 1.381 63.673 62.300 -0.014 0.000 1.065 422 V CB -0.435 31.383 31.823 -0.008 0.000 0.681 422 V HN 0.239 nan 8.190 nan 0.000 0.462 423 D N 0.313 120.697 120.400 -0.026 0.000 2.224 423 D HA -0.136 4.497 4.640 -0.012 0.000 0.205 423 D C 2.318 178.590 176.300 -0.047 0.000 0.965 423 D CA 1.017 55.001 54.000 -0.026 0.000 0.852 423 D CB -0.158 40.628 40.800 -0.024 0.000 0.947 423 D HN 0.406 nan 8.370 nan 0.000 0.494 424 R N -0.062 120.387 120.500 -0.086 0.000 2.081 424 R HA -0.092 4.240 4.340 -0.012 0.000 0.235 424 R C 2.225 178.454 176.300 -0.117 0.000 1.131 424 R CA 0.900 56.912 56.100 -0.147 0.000 0.960 424 R CB -0.266 29.885 30.300 -0.248 0.000 0.856 424 R HN 0.258 nan 8.270 nan 0.000 0.436 425 L N 0.623 121.802 121.223 -0.074 0.000 2.012 425 L HA -0.233 4.099 4.340 -0.012 0.000 0.210 425 L C 2.707 179.580 176.870 0.005 0.000 1.073 425 L CA 2.012 56.828 54.840 -0.041 0.000 0.748 425 L CB -0.491 41.554 42.059 -0.023 0.000 0.891 425 L HN 0.316 nan 8.230 nan 0.000 0.431 426 R N -0.005 120.503 120.500 0.015 0.000 2.115 426 R HA -0.085 4.248 4.340 -0.012 0.000 0.226 426 R C 2.174 178.527 176.300 0.088 0.000 1.100 426 R CA 0.887 57.018 56.100 0.052 0.000 0.980 426 R CB -0.497 29.828 30.300 0.042 0.000 0.875 426 R HN 0.179 nan 8.270 nan 0.000 0.445 427 R N 0.188 120.722 120.500 0.057 0.000 2.092 427 R HA 0.098 4.430 4.340 -0.012 0.000 0.231 427 R C 2.059 178.447 176.300 0.147 0.000 1.119 427 R CA 1.796 57.957 56.100 0.102 0.000 0.970 427 R CB -0.203 30.117 30.300 0.035 0.000 0.864 427 R HN 0.315 nan 8.270 nan 0.000 0.440 428 M N 0.139 119.742 119.600 0.006 0.000 2.541 428 M HA 0.041 4.513 4.480 -0.012 0.000 0.252 428 M C 0.814 177.259 176.300 0.241 0.000 1.125 428 M CA 0.041 55.284 55.300 -0.094 0.000 1.091 428 M CB 0.407 32.797 32.600 -0.350 0.000 1.420 428 M HN -0.072 nan 8.290 nan 0.000 0.486 429 S N 1.102 116.963 115.700 0.268 0.000 2.558 429 S HA 0.044 4.506 4.470 -0.012 0.000 0.291 429 S C 1.206 176.081 174.600 0.459 0.000 1.306 429 S CA -0.225 58.166 58.200 0.317 0.000 1.056 429 S CB 0.540 63.870 63.200 0.215 0.000 0.836 429 S HN 0.347 nan 8.310 nan 0.000 0.504 430 L N 4.258 125.704 121.223 0.371 0.000 2.217 430 L HA 0.070 4.402 4.340 -0.012 0.000 0.211 430 L C 0.486 177.483 176.870 0.211 0.000 1.107 430 L CA 0.456 55.475 54.840 0.298 0.000 0.783 430 L CB -0.444 41.732 42.059 0.195 0.000 0.919 430 L HN 0.398 nan 8.230 nan 0.000 0.442 431 V N 1.070 121.116 119.914 0.220 0.000 2.385 431 V HA 0.133 4.246 4.120 -0.012 0.000 0.269 431 V C 0.145 176.336 176.094 0.162 0.000 1.043 431 V CA -0.461 61.956 62.300 0.195 0.000 0.906 431 V CB 1.233 33.199 31.823 0.238 0.000 0.995 431 V HN 0.188 nan 8.190 nan 0.000 0.467 432 E N 3.151 123.427 120.200 0.127 0.000 2.197 432 E HA 0.379 4.721 4.350 -0.012 0.000 0.281 432 E C -0.544 176.115 176.600 0.097 0.000 0.995 432 E CA -0.492 55.971 56.400 0.105 0.000 0.808 432 E CB 1.810 31.553 29.700 0.071 0.000 1.093 432 E HN 0.638 nan 8.360 nan 0.000 0.394 433 E N 0.923 121.175 120.200 0.086 0.000 2.314 433 E HA 0.615 4.958 4.350 -0.012 0.000 0.262 433 E C 0.056 176.695 176.600 0.066 0.000 1.093 433 E CA 0.342 56.786 56.400 0.074 0.000 0.908 433 E CB 1.377 31.114 29.700 0.060 0.000 1.091 433 E HN 0.620 nan 8.360 nan 0.000 0.425 434 G N -0.017 108.819 108.800 0.061 0.000 2.332 434 G HA2 0.254 4.207 3.960 -0.012 0.000 0.265 434 G HA3 0.254 4.207 3.960 -0.012 0.000 0.265 434 G C 0.323 175.257 174.900 0.057 0.000 1.329 434 G CA 0.183 45.316 45.100 0.055 0.000 0.949 434 G HN 0.622 nan 8.290 nan 0.000 0.476 435 A N -0.813 122.039 122.820 0.054 0.000 1.849 435 A HA 0.347 4.660 4.320 -0.012 0.000 0.217 435 A C 1.692 179.319 177.584 0.071 0.000 1.202 435 A CA 3.598 55.667 52.037 0.054 0.000 0.629 435 A CB -1.221 17.808 19.000 0.048 0.000 0.834 435 A HN 2.289 nan 8.150 nan 0.000 0.447 436 V N -2.661 117.308 119.914 0.092 0.000 2.435 436 V HA 0.505 4.617 4.120 -0.012 0.000 0.290 436 V C -0.353 175.819 176.094 0.130 0.000 1.030 436 V CA -1.372 61.007 62.300 0.132 0.000 0.881 436 V CB 1.310 33.242 31.823 0.183 0.000 0.983 436 V HN 0.317 nan 8.190 nan 0.000 0.445 437 K N 4.033 124.518 120.400 0.143 0.000 2.401 437 K HA 0.421 4.734 4.320 -0.012 0.000 0.278 437 K C -0.276 176.409 176.600 0.140 0.000 1.018 437 K CA -0.004 56.366 56.287 0.138 0.000 0.981 437 K CB 0.743 33.336 32.500 0.155 0.000 0.933 437 K HN 0.747 nan 8.250 nan 0.000 0.477 438 R N 1.601 122.173 120.500 0.120 0.000 2.837 438 R HA 0.468 4.801 4.340 -0.012 0.000 0.271 438 R C -0.681 175.677 176.300 0.097 0.000 0.993 438 R CA -1.004 55.159 56.100 0.105 0.000 0.931 438 R CB 1.297 31.641 30.300 0.074 0.000 1.206 438 R HN 0.366 nan 8.270 nan 0.000 0.474 439 I N 1.982 122.607 120.570 0.092 0.000 2.321 439 I HA 0.153 4.315 4.170 -0.012 0.000 0.291 439 I C -0.117 176.004 176.117 0.007 0.000 0.998 439 I CA -0.731 60.611 61.300 0.069 0.000 1.227 439 I CB 1.052 39.095 38.000 0.071 0.000 1.368 439 I HN 0.492 nan 8.210 nan 0.000 0.466 440 N N 7.107 125.779 118.700 -0.047 0.000 2.402 440 N HA 0.072 4.805 4.740 -0.012 0.000 0.259 440 N C 0.865 176.292 175.510 -0.139 0.000 1.167 440 N CA -0.281 52.657 53.050 -0.186 0.000 0.949 440 N CB 0.908 39.122 38.487 -0.455 0.000 1.212 440 N HN 0.380 nan 8.380 nan 0.000 0.493 441 M N 2.412 121.940 119.600 -0.121 0.000 2.229 441 M HA -0.064 4.408 4.480 -0.012 0.000 0.264 441 M C 1.996 178.180 176.300 -0.193 0.000 1.063 441 M CA 0.734 55.983 55.300 -0.086 0.000 1.114 441 M CB -1.579 31.022 32.600 0.002 0.000 1.387 441 M HN 0.591 nan 8.290 nan 0.000 0.420 442 A N -0.402 122.300 122.820 -0.198 0.000 1.933 442 A HA -0.188 4.125 4.320 -0.012 0.000 0.218 442 A C 1.982 179.354 177.584 -0.353 0.000 1.175 442 A CA 1.592 53.471 52.037 -0.262 0.000 0.628 442 A CB -1.170 17.881 19.000 0.085 0.000 0.814 442 A HN 0.620 nan 8.150 nan 0.000 0.444 443 H N -1.206 117.675 119.070 -0.316 0.000 2.389 443 H HA 0.015 4.564 4.556 -0.012 0.000 0.299 443 H C 2.117 177.242 175.328 -0.338 0.000 1.081 443 H CA 0.827 56.655 56.048 -0.367 0.000 1.345 443 H CB -0.038 29.728 29.762 0.006 0.000 1.393 443 H HN 0.380 nan 8.280 nan 0.000 0.520 444 L N 0.422 121.578 121.223 -0.112 0.000 2.012 444 L HA -0.230 4.102 4.340 -0.012 0.000 0.210 444 L C 2.215 178.949 176.870 -0.227 0.000 1.073 444 L CA 1.291 56.058 54.840 -0.122 0.000 0.748 444 L CB -0.390 41.628 42.059 -0.068 0.000 0.891 444 L HN 0.443 nan 8.230 nan 0.000 0.431 445 C N 0.022 119.080 119.300 -0.404 0.000 2.429 445 C HA -0.173 4.279 4.460 -0.012 0.000 0.277 445 C C 2.654 177.353 174.990 -0.485 0.000 1.262 445 C CA 0.667 59.344 59.018 -0.568 0.000 1.733 445 C CB -0.749 26.248 27.740 -1.239 0.000 2.010 445 C HN 0.517 nan 8.230 nan 0.000 0.483 446 I N 1.368 121.609 120.570 -0.549 0.000 2.202 446 I HA -0.176 3.987 4.170 -0.012 0.000 0.242 446 I C 2.753 178.714 176.117 -0.259 0.000 1.091 446 I CA 1.571 62.611 61.300 -0.433 0.000 1.368 446 I CB -0.577 37.039 38.000 -0.639 0.000 1.058 446 I HN 0.254 nan 8.210 nan 0.000 0.410 447 A N 0.604 123.238 122.820 -0.310 0.000 1.908 447 A HA -0.137 4.176 4.320 -0.012 0.000 0.218 447 A C 2.214 179.841 177.584 0.072 0.000 1.181 447 A CA 2.018 53.901 52.037 -0.257 0.000 0.627 447 A CB -1.233 17.422 19.000 -0.575 0.000 0.818 447 A HN 0.485 nan 8.150 nan 0.000 0.445 448 G N -1.256 107.526 108.800 -0.031 0.000 3.337 448 G HA2 0.423 4.376 3.960 -0.012 0.000 0.246 448 G HA3 0.423 4.376 3.960 -0.012 0.000 0.246 448 G C 0.103 174.835 174.900 -0.280 0.000 1.131 448 G CA 0.489 45.446 45.100 -0.237 0.000 0.773 448 G HN 0.354 nan 8.290 nan 0.000 0.544 449 S N -0.342 115.251 115.700 -0.177 0.000 2.568 449 S HA 0.335 4.797 4.470 -0.012 0.000 0.302 449 S C 0.802 175.354 174.600 -0.080 0.000 1.082 449 S CA -0.705 57.417 58.200 -0.130 0.000 1.009 449 S CB 1.290 64.413 63.200 -0.128 0.000 1.069 449 S HN 0.505 nan 8.310 nan 0.000 0.500 450 H N -0.172 118.859 119.070 -0.065 0.000 2.551 450 H HA 0.489 5.038 4.556 -0.012 0.000 0.266 450 H C 0.130 175.442 175.328 -0.027 0.000 0.964 450 H CA 0.290 56.328 56.048 -0.018 0.000 1.180 450 H CB 0.162 29.926 29.762 0.004 0.000 1.408 450 H HN 0.507 nan 8.280 nan 0.000 0.563 451 A N 1.082 123.603 122.820 -0.498 0.000 2.488 451 A HA 0.559 4.871 4.320 -0.012 0.000 0.298 451 A C -1.413 175.965 177.584 -0.343 0.000 1.044 451 A CA -0.575 51.214 52.037 -0.414 0.000 0.693 451 A CB 2.266 20.971 19.000 -0.490 0.000 1.272 451 A HN 0.095 nan 8.150 nan 0.000 0.402 452 V N 4.205 123.882 119.914 -0.394 0.000 2.483 452 V HA 0.522 4.634 4.120 -0.012 0.000 0.297 452 V C -0.784 175.120 176.094 -0.316 0.000 1.027 452 V CA -0.786 61.278 62.300 -0.394 0.000 0.855 452 V CB 1.781 33.213 31.823 -0.653 0.000 0.995 452 V HN 1.006 nan 8.190 nan 0.000 0.424 453 N N 3.260 121.796 118.700 -0.275 0.000 2.240 453 N HA 0.598 5.331 4.740 -0.012 0.000 0.302 453 N C -0.182 175.218 175.510 -0.182 0.000 1.106 453 N CA -0.345 52.584 53.050 -0.202 0.000 0.778 453 N CB 2.839 41.180 38.487 -0.243 0.000 1.431 453 N HN 0.622 nan 8.380 nan 0.000 0.479 454 G N -0.670 108.058 108.800 -0.119 0.000 2.537 454 G HA2 0.415 4.367 3.960 -0.012 0.000 0.297 454 G HA3 0.415 4.367 3.960 -0.012 0.000 0.297 454 G C 0.716 175.663 174.900 0.077 0.000 1.310 454 G CA -0.337 44.733 45.100 -0.050 0.000 1.027 454 G HN 0.695 nan 8.290 nan 0.000 0.505 455 V N -4.152 115.934 119.914 0.287 0.000 3.346 455 V HA 0.714 4.827 4.120 -0.012 0.000 0.309 455 V C 0.471 176.649 176.094 0.140 0.000 1.457 455 V CA 0.427 62.816 62.300 0.147 0.000 1.069 455 V CB -0.601 31.265 31.823 0.071 0.000 0.944 455 V HN 1.363 nan 8.190 nan 0.000 0.449 456 A N -0.015 122.898 122.820 0.155 0.000 2.608 456 A HA 0.684 4.997 4.320 -0.012 0.000 0.292 456 A C 0.576 178.211 177.584 0.085 0.000 1.066 456 A CA -0.128 51.977 52.037 0.112 0.000 0.676 456 A CB 1.279 20.335 19.000 0.093 0.000 1.277 456 A HN 0.049 nan 8.150 nan 0.000 0.413 457 R N 0.620 121.150 120.500 0.050 0.000 2.091 457 R HA -0.120 4.213 4.340 -0.012 0.000 0.238 457 R C 1.639 177.939 176.300 0.001 0.000 1.136 457 R CA 2.171 58.278 56.100 0.012 0.000 0.959 457 R CB -0.188 30.113 30.300 0.003 0.000 0.856 457 R HN 0.798 nan 8.270 nan 0.000 0.437 458 I N 0.176 120.755 120.570 0.016 0.000 2.394 458 I HA -0.262 3.900 4.170 -0.012 0.000 0.251 458 I C 2.176 178.307 176.117 0.022 0.000 1.136 458 I CA 1.561 62.863 61.300 0.003 0.000 1.425 458 I CB -0.193 37.806 38.000 -0.001 0.000 1.079 458 I HN 0.343 nan 8.210 nan 0.000 0.425 459 H N 0.480 119.525 119.070 -0.041 0.000 2.321 459 H HA -0.125 4.424 4.556 -0.013 0.000 0.300 459 H C 2.282 177.584 175.328 -0.043 0.000 1.087 459 H CA 2.232 58.252 56.048 -0.045 0.000 1.319 459 H CB -0.272 29.468 29.762 -0.037 0.000 1.379 459 H HN 0.210 nan 8.280 nan 0.000 0.501 460 S N 0.366 115.949 115.700 -0.194 0.000 2.382 460 S HA -0.124 4.338 4.470 -0.012 0.000 0.228 460 S C 1.915 176.404 174.600 -0.185 0.000 1.027 460 S CA 1.161 59.231 58.200 -0.217 0.000 0.991 460 S CB -0.076 63.064 63.200 -0.101 0.000 0.823 460 S HN 0.476 nan 8.310 nan 0.000 0.469 461 E N 1.268 121.380 120.200 -0.146 0.000 2.077 461 E HA -0.050 4.293 4.350 -0.012 0.000 0.193 461 E C 2.012 178.504 176.600 -0.181 0.000 0.989 461 E CA 0.762 57.065 56.400 -0.162 0.000 0.800 461 E CB -0.428 29.206 29.700 -0.110 0.000 0.746 461 E HN 0.511 nan 8.360 nan 0.000 0.452 462 I N 0.926 121.407 120.570 -0.149 0.000 2.286 462 I HA -0.274 3.889 4.170 -0.012 0.000 0.248 462 I C 2.398 178.402 176.117 -0.188 0.000 1.115 462 I CA 0.756 61.973 61.300 -0.140 0.000 1.392 462 I CB -0.236 37.717 38.000 -0.079 0.000 1.065 462 I HN 0.066 nan 8.210 nan 0.000 0.418 463 L N 0.430 121.514 121.223 -0.231 0.000 2.017 463 L HA -0.234 4.098 4.340 -0.012 0.000 0.208 463 L C 2.548 179.313 176.870 -0.175 0.000 1.073 463 L CA 1.634 56.370 54.840 -0.173 0.000 0.745 463 L CB -0.640 41.402 42.059 -0.028 0.000 0.894 463 L HN 0.209 nan 8.230 nan 0.000 0.432 464 K N -0.018 120.186 120.400 -0.328 0.000 2.097 464 K HA -0.152 4.161 4.320 -0.012 0.000 0.205 464 K C 2.105 178.479 176.600 -0.376 0.000 1.050 464 K CA 1.075 57.005 56.287 -0.595 0.000 0.938 464 K CB -0.026 31.871 32.500 -1.005 0.000 0.718 464 K HN 0.235 nan 8.250 nan 0.000 0.442 465 K N 0.016 120.261 120.400 -0.259 0.000 2.262 465 K HA -0.038 4.274 4.320 -0.012 0.000 0.200 465 K C 1.897 178.434 176.600 -0.105 0.000 1.049 465 K CA 1.427 57.618 56.287 -0.160 0.000 0.979 465 K CB 0.442 32.860 32.500 -0.136 0.000 0.773 465 K HN 0.298 nan 8.250 nan 0.000 0.474 466 T N -1.928 112.557 114.554 -0.115 0.000 3.426 466 T HA 0.049 4.391 4.350 -0.012 0.000 0.195 466 T C 1.885 176.529 174.700 -0.093 0.000 0.963 466 T CA 0.051 62.097 62.100 -0.091 0.000 1.154 466 T CB -0.716 68.095 68.868 -0.095 0.000 1.377 466 T HN 0.103 nan 8.240 nan 0.000 0.342 467 I N -1.052 119.401 120.570 -0.194 0.000 2.394 467 I HA 0.298 4.461 4.170 -0.012 0.000 0.251 467 I C 1.370 177.382 176.117 -0.174 0.000 1.136 467 I CA 1.178 62.311 61.300 -0.278 0.000 1.425 467 I CB -0.550 37.136 38.000 -0.523 0.000 1.079 467 I HN 0.209 nan 8.210 nan 0.000 0.425 468 F N 1.087 121.106 119.950 0.115 0.000 2.772 468 F HA 0.346 4.866 4.527 -0.013 0.000 0.302 468 F C 1.993 177.883 175.800 0.150 0.000 1.136 468 F CA -0.597 57.542 58.000 0.233 0.000 1.322 468 F CB 0.158 39.294 39.000 0.227 0.000 0.967 468 F HN -0.080 nan 8.300 nan 0.000 0.513 469 K N 1.012 121.523 120.400 0.185 0.000 2.032 469 K HA -0.207 4.105 4.320 -0.012 0.000 0.209 469 K C 1.297 177.952 176.600 0.091 0.000 1.048 469 K CA 2.140 58.476 56.287 0.082 0.000 0.927 469 K CB -0.017 32.493 32.500 0.018 0.000 0.712 469 K HN 0.184 nan 8.250 nan 0.000 0.441 470 D N -0.069 120.360 120.400 0.048 0.000 2.144 470 D HA -0.156 4.477 4.640 -0.012 0.000 0.199 470 D C 1.826 178.038 176.300 -0.146 0.000 0.984 470 D CA 1.213 55.113 54.000 -0.167 0.000 0.834 470 D CB -0.291 40.307 40.800 -0.336 0.000 0.955 470 D HN 0.252 nan 8.370 nan 0.000 0.465 471 F N -0.123 119.906 119.950 0.131 0.000 2.186 471 F HA -0.135 4.385 4.527 -0.012 0.000 0.299 471 F C 2.347 178.301 175.800 0.256 0.000 1.090 471 F CA 0.465 58.619 58.000 0.257 0.000 1.307 471 F CB -0.658 38.565 39.000 0.372 0.000 1.019 471 F HN -0.040 nan 8.300 nan 0.000 0.489 472 Y N 1.391 121.698 120.300 0.011 0.000 2.181 472 Y HA -0.212 4.331 4.550 -0.012 0.000 0.288 472 Y C 2.147 178.046 175.900 -0.001 0.000 1.146 472 Y CA 1.712 59.644 58.100 -0.279 0.000 1.164 472 Y CB -0.603 37.498 38.460 -0.600 0.000 0.982 472 Y HN 0.123 nan 8.280 nan 0.000 0.515 473 E N -0.384 119.767 120.200 -0.081 0.000 2.106 473 E HA -0.201 4.142 4.350 -0.012 0.000 0.192 473 E C 2.013 178.668 176.600 0.091 0.000 0.984 473 E CA 1.215 57.581 56.400 -0.056 0.000 0.806 473 E CB -0.286 29.418 29.700 0.006 0.000 0.750 473 E HN 0.427 nan 8.360 nan 0.000 0.458 474 L N 0.962 122.276 121.223 0.153 0.000 2.044 474 L HA -0.076 4.256 4.340 -0.012 0.000 0.205 474 L C 0.355 177.309 176.870 0.140 0.000 1.075 474 L CA 1.751 56.721 54.840 0.216 0.000 0.747 474 L CB 0.324 42.501 42.059 0.196 0.000 0.903 474 L HN -0.083 nan 8.230 nan 0.000 0.435 475 E N -0.393 119.879 120.200 0.120 0.000 3.666 475 E HA 0.172 4.514 4.350 -0.012 0.000 0.230 475 E C -1.976 174.529 176.600 -0.159 0.000 1.235 475 E CA -1.160 55.223 56.400 -0.028 0.000 1.096 475 E CB 0.700 30.398 29.700 -0.002 0.000 1.287 475 E HN 0.238 nan 8.360 nan 0.000 0.406 476 P HA -0.240 nan 4.420 nan 0.000 0.218 476 P C 1.220 178.592 177.300 0.121 0.000 1.148 476 P CA 1.345 64.331 63.100 -0.190 0.000 0.822 476 P CB -0.068 31.402 31.700 -0.383 0.000 0.784 477 H N 0.256 119.416 119.070 0.149 0.000 2.489 477 H HA 0.046 4.594 4.556 -0.012 0.000 0.293 477 H C 1.438 176.843 175.328 0.130 0.000 1.066 477 H CA 0.813 56.940 56.048 0.133 0.000 1.305 477 H CB -0.706 29.109 29.762 0.088 0.000 1.386 477 H HN 0.161 nan 8.280 nan 0.000 0.551 478 K N 0.276 120.552 120.400 -0.207 0.000 2.217 478 K HA 0.019 4.331 4.320 -0.012 0.000 0.202 478 K C -0.169 176.270 176.600 -0.267 0.000 1.051 478 K CA 0.341 56.489 56.287 -0.230 0.000 0.952 478 K CB 0.079 32.317 32.500 -0.436 0.000 0.736 478 K HN 0.115 nan 8.250 nan 0.000 0.453 479 F N 1.686 121.661 119.950 0.042 0.000 2.411 479 F HA 0.199 4.718 4.527 -0.013 0.000 0.355 479 F C 0.438 176.244 175.800 0.011 0.000 1.117 479 F CA -0.255 57.777 58.000 0.054 0.000 1.139 479 F CB 1.035 40.136 39.000 0.169 0.000 1.120 479 F HN -0.129 nan 8.300 nan 0.000 0.493 480 Q N 1.877 121.710 119.800 0.055 0.000 2.528 480 Q HA 0.338 4.670 4.340 -0.012 0.000 0.289 480 Q C -1.157 174.805 176.000 -0.063 0.000 1.091 480 Q CA -1.223 54.563 55.803 -0.029 0.000 0.797 480 Q CB 3.208 31.870 28.738 -0.126 0.000 1.466 480 Q HN 0.596 nan 8.270 nan 0.000 0.436 481 N N 0.963 119.609 118.700 -0.090 0.000 2.321 481 N HA 0.253 4.985 4.740 -0.012 0.000 0.299 481 N C -1.411 174.000 175.510 -0.165 0.000 1.048 481 N CA -0.361 52.630 53.050 -0.099 0.000 0.836 481 N CB 0.929 39.381 38.487 -0.058 0.000 1.269 481 N HN 0.275 nan 8.380 nan 0.000 0.486 482 K N 2.808 123.107 120.400 -0.167 0.000 2.664 482 K HA 0.191 4.504 4.320 -0.012 0.000 0.234 482 K C -0.883 175.724 176.600 0.011 0.000 0.980 482 K CA -0.503 55.664 56.287 -0.199 0.000 0.996 482 K CB 1.291 33.437 32.500 -0.591 0.000 1.190 482 K HN 0.526 nan 8.250 nan 0.000 0.479 483 T N 2.178 116.758 114.554 0.043 0.000 2.902 483 T HA 0.051 4.394 4.350 -0.012 0.000 0.301 483 T C 0.775 175.605 174.700 0.216 0.000 1.012 483 T CA 0.334 62.511 62.100 0.129 0.000 1.151 483 T CB 0.266 69.210 68.868 0.127 0.000 0.946 483 T HN 0.363 nan 8.240 nan 0.000 0.542 484 N N 0.641 119.491 118.700 0.250 0.000 2.297 484 N HA 0.419 5.152 4.740 -0.012 0.000 0.232 484 N C 0.473 176.175 175.510 0.319 0.000 1.311 484 N CA -0.179 53.054 53.050 0.305 0.000 0.897 484 N CB 0.414 39.018 38.487 0.195 0.000 1.137 484 N HN 0.763 nan 8.380 nan 0.000 0.449 485 G N -0.596 108.403 108.800 0.332 0.000 2.687 485 G HA2 0.600 4.552 3.960 -0.012 0.000 0.291 485 G HA3 0.600 4.552 3.960 -0.012 0.000 0.291 485 G C -1.419 173.619 174.900 0.231 0.000 1.420 485 G CA -0.738 44.539 45.100 0.296 0.000 0.796 485 G HN 0.604 nan 8.290 nan 0.000 0.485 486 I N -2.491 118.199 120.570 0.199 0.000 2.934 486 I HA 0.762 4.925 4.170 -0.012 0.000 0.306 486 I C -0.237 176.039 176.117 0.265 0.000 1.110 486 I CA -0.952 60.461 61.300 0.187 0.000 1.019 486 I CB 2.474 40.476 38.000 0.003 0.000 1.227 486 I HN 0.479 nan 8.210 nan 0.000 0.434 487 T N 4.232 119.000 114.554 0.356 0.000 2.761 487 T HA 0.354 4.697 4.350 -0.012 0.000 0.296 487 T C -1.439 173.377 174.700 0.193 0.000 0.934 487 T CA -1.612 60.618 62.100 0.217 0.000 1.091 487 T CB 0.685 69.622 68.868 0.115 0.000 0.896 487 T HN 0.624 nan 8.240 nan 0.000 0.515 488 P HA 0.041 nan 4.420 nan 0.000 0.237 488 P C 1.002 178.264 177.300 -0.064 0.000 1.178 488 P CA 0.313 63.447 63.100 0.056 0.000 0.766 488 P CB 0.366 32.083 31.700 0.027 0.000 0.876 489 R N 0.392 120.811 120.500 -0.135 0.000 2.052 489 R HA 0.046 4.379 4.340 -0.012 0.000 0.224 489 R C 2.673 178.845 176.300 -0.213 0.000 1.165 489 R CA 1.398 57.373 56.100 -0.207 0.000 0.939 489 R CB -1.228 28.951 30.300 -0.202 0.000 0.834 489 R HN 0.020 nan 8.270 nan 0.000 0.435 490 R N -0.723 119.584 120.500 -0.322 0.000 2.081 490 R HA -0.140 4.192 4.340 -0.012 0.000 0.235 490 R C 1.076 177.017 176.300 -0.597 0.000 1.131 490 R CA 1.779 57.523 56.100 -0.593 0.000 0.960 490 R CB -0.161 29.559 30.300 -0.968 0.000 0.856 490 R HN 0.313 nan 8.270 nan 0.000 0.436 491 W N -0.681 120.573 121.300 -0.077 0.000 3.290 491 W HA 0.161 4.813 4.660 -0.013 0.000 0.287 491 W C 1.041 177.527 176.519 -0.055 0.000 1.288 491 W CA -0.735 56.564 57.345 -0.078 0.000 1.725 491 W CB 0.448 29.865 29.460 -0.073 0.000 1.103 491 W HN 0.205 nan 8.180 nan 0.000 0.670 492 L N -2.023 119.256 121.223 0.094 0.000 2.692 492 L HA 0.190 4.522 4.340 -0.012 0.000 0.175 492 L C 1.798 178.683 176.870 0.026 0.000 1.112 492 L CA 0.844 55.733 54.840 0.081 0.000 0.908 492 L CB -0.836 41.296 42.059 0.122 0.000 1.672 492 L HN -0.236 nan 8.230 nan 0.000 0.500 493 V N 0.999 120.901 119.914 -0.019 0.000 2.295 493 V HA -0.260 3.852 4.120 -0.012 0.000 0.246 493 V C 2.442 178.511 176.094 -0.042 0.000 1.049 493 V CA 2.404 64.685 62.300 -0.031 0.000 1.024 493 V CB -0.747 31.029 31.823 -0.080 0.000 0.648 493 V HN 0.503 nan 8.190 nan 0.000 0.447 494 L N 0.553 121.721 121.223 -0.091 0.000 2.023 494 L HA -0.182 4.150 4.340 -0.012 0.000 0.205 494 L C 2.508 179.320 176.870 -0.096 0.000 1.073 494 L CA 2.414 57.186 54.840 -0.112 0.000 0.745 494 L CB -0.263 41.679 42.059 -0.195 0.000 0.900 494 L HN 0.653 nan 8.230 nan 0.000 0.435 495 C N -1.817 117.422 119.300 -0.101 0.000 2.533 495 C HA 0.195 4.647 4.460 -0.012 0.000 0.272 495 C C 1.218 176.199 174.990 -0.016 0.000 1.371 495 C CA -0.271 58.708 59.018 -0.066 0.000 1.758 495 C CB -0.992 26.714 27.740 -0.058 0.000 1.972 495 C HN 0.592 nan 8.230 nan 0.000 0.522 496 N N 1.242 119.943 118.700 0.001 0.000 2.733 496 N HA 0.291 5.024 4.740 -0.012 0.000 0.271 496 N C -1.771 173.755 175.510 0.027 0.000 1.720 496 N CA -1.638 51.424 53.050 0.021 0.000 0.803 496 N CB 0.793 39.301 38.487 0.036 0.000 1.208 496 N HN 0.255 nan 8.380 nan 0.000 0.498 497 P HA -0.031 nan 4.420 nan 0.000 0.218 497 P C 1.366 178.686 177.300 0.034 0.000 1.149 497 P CA 0.863 63.978 63.100 0.025 0.000 0.817 497 P CB 0.246 31.953 31.700 0.011 0.000 0.785 498 G N 0.411 109.227 108.800 0.027 0.000 2.422 498 G HA2 -0.225 3.727 3.960 -0.012 0.000 0.218 498 G HA3 -0.225 3.727 3.960 -0.012 0.000 0.218 498 G C 1.512 176.429 174.900 0.029 0.000 1.146 498 G CA 0.504 45.619 45.100 0.024 0.000 0.769 498 G HN 0.241 nan 8.290 nan 0.000 0.547 499 L N 1.096 122.339 121.223 0.034 0.000 2.095 499 L HA 0.332 4.664 4.340 -0.012 0.000 0.204 499 L C 3.069 179.983 176.870 0.074 0.000 1.080 499 L CA 1.860 56.723 54.840 0.039 0.000 0.759 499 L CB -0.684 41.396 42.059 0.035 0.000 0.914 499 L HN 0.208 nan 8.230 nan 0.000 0.439 500 A N -0.650 122.232 122.820 0.103 0.000 1.917 500 A HA -0.282 4.030 4.320 -0.012 0.000 0.219 500 A C 2.245 179.935 177.584 0.178 0.000 1.182 500 A CA 1.984 54.133 52.037 0.188 0.000 0.633 500 A CB -0.698 18.399 19.000 0.162 0.000 0.819 500 A HN 0.540 nan 8.150 nan 0.000 0.448 501 E N 0.512 120.776 120.200 0.107 0.000 2.047 501 E HA -0.151 4.192 4.350 -0.012 0.000 0.191 501 E C 1.858 178.504 176.600 0.077 0.000 0.987 501 E CA 1.535 57.987 56.400 0.086 0.000 0.799 501 E CB -0.508 29.224 29.700 0.053 0.000 0.752 501 E HN 0.746 nan 8.360 nan 0.000 0.449 502 I N -1.758 118.856 120.570 0.074 0.000 2.454 502 I HA -0.130 4.033 4.170 -0.012 0.000 0.254 502 I C 2.062 178.258 176.117 0.132 0.000 1.156 502 I CA 1.096 62.456 61.300 0.100 0.000 1.433 502 I CB -0.290 37.763 38.000 0.089 0.000 1.082 502 I HN 0.021 nan 8.210 nan 0.000 0.432 503 I N 1.856 122.476 120.570 0.084 0.000 2.233 503 I HA -0.139 4.023 4.170 -0.012 0.000 0.243 503 I C 2.976 179.030 176.117 -0.105 0.000 1.093 503 I CA 1.223 62.479 61.300 -0.074 0.000 1.380 503 I CB -0.438 37.415 38.000 -0.246 0.000 1.067 503 I HN 0.283 nan 8.210 nan 0.000 0.413 504 A N 0.417 123.281 122.820 0.073 0.000 1.972 504 A HA -0.216 4.097 4.320 -0.012 0.000 0.219 504 A C 2.150 179.762 177.584 0.048 0.000 1.169 504 A CA 1.541 53.672 52.037 0.156 0.000 0.635 504 A CB -0.564 18.562 19.000 0.211 0.000 0.810 504 A HN 0.442 nan 8.150 nan 0.000 0.446 505 E N -0.535 119.673 120.200 0.013 0.000 2.118 505 E HA -0.200 4.143 4.350 -0.012 0.000 0.195 505 E C 2.257 178.816 176.600 -0.068 0.000 0.992 505 E CA 1.225 57.618 56.400 -0.012 0.000 0.804 505 E CB -0.085 29.615 29.700 0.001 0.000 0.741 505 E HN 0.508 nan 8.360 nan 0.000 0.458 506 R N 0.267 120.659 120.500 -0.181 0.000 2.090 506 R HA 0.065 4.398 4.340 -0.012 0.000 0.219 506 R C 2.352 178.551 176.300 -0.169 0.000 1.100 506 R CA 0.897 56.813 56.100 -0.307 0.000 0.991 506 R CB -0.279 29.486 30.300 -0.892 0.000 0.893 506 R HN 0.327 nan 8.270 nan 0.000 0.443 507 I N -2.706 117.776 120.570 -0.147 0.000 4.025 507 I HA 0.420 4.582 4.170 -0.012 0.000 0.336 507 I C 0.432 176.579 176.117 0.050 0.000 1.390 507 I CA 0.081 61.354 61.300 -0.046 0.000 1.099 507 I CB 0.753 38.702 38.000 -0.085 0.000 1.049 507 I HN 0.182 nan 8.210 nan 0.000 0.394 508 G N 1.992 110.833 108.800 0.070 0.000 2.725 508 G HA2 -0.233 3.720 3.960 -0.012 0.000 0.220 508 G HA3 -0.233 3.720 3.960 -0.012 0.000 0.220 508 G C -0.010 175.023 174.900 0.221 0.000 1.357 508 G CA 0.234 45.401 45.100 0.112 0.000 0.866 508 G HN 0.448 nan 8.290 nan 0.000 0.548 509 E N -0.528 119.755 120.200 0.138 0.000 2.489 509 E HA 0.087 4.429 4.350 -0.012 0.000 0.204 509 E C 1.802 178.354 176.600 -0.081 0.000 1.006 509 E CA -0.082 56.344 56.400 0.043 0.000 0.936 509 E CB 0.285 29.999 29.700 0.024 0.000 1.002 509 E HN 0.482 nan 8.360 nan 0.000 0.488 510 E N 0.378 120.600 120.200 0.037 0.000 2.347 510 E HA -0.146 4.197 4.350 -0.012 0.000 0.196 510 E C 1.556 178.150 176.600 -0.010 0.000 1.008 510 E CA 0.581 56.991 56.400 0.017 0.000 0.852 510 E CB 0.102 29.834 29.700 0.054 0.000 0.783 510 E HN 0.477 nan 8.360 nan 0.000 0.505 511 Y N -1.189 119.116 120.300 0.008 0.000 2.421 511 Y HA -0.035 4.508 4.550 -0.011 0.000 0.292 511 Y C 1.851 177.729 175.900 -0.036 0.000 1.136 511 Y CA 0.545 58.641 58.100 -0.008 0.000 1.255 511 Y CB -0.712 37.744 38.460 -0.005 0.000 0.991 511 Y HN -0.089 nan 8.280 nan 0.000 0.552 512 I N 0.925 121.034 120.570 -0.770 0.000 2.567 512 I HA -0.214 3.949 4.170 -0.012 0.000 0.257 512 I C 1.505 177.369 176.117 -0.421 0.000 1.184 512 I CA 1.706 62.590 61.300 -0.694 0.000 1.451 512 I CB -0.325 37.167 38.000 -0.846 0.000 1.089 512 I HN 0.469 nan 8.210 nan 0.000 0.441 513 S N -2.116 113.449 115.700 -0.225 0.000 2.749 513 S HA 0.200 4.663 4.470 -0.012 0.000 0.246 513 S C 0.064 174.651 174.600 -0.022 0.000 1.023 513 S CA -0.526 57.618 58.200 -0.094 0.000 1.012 513 S CB 0.327 63.537 63.200 0.017 0.000 0.942 513 S HN 0.283 nan 8.310 nan 0.000 0.531 514 D N 0.731 121.126 120.400 -0.008 0.000 2.934 514 D HA 0.222 4.854 4.640 -0.012 0.000 0.249 514 D C 0.232 176.573 176.300 0.067 0.000 1.293 514 D CA -0.387 53.631 54.000 0.029 0.000 0.812 514 D CB 0.431 41.252 40.800 0.036 0.000 1.439 514 D HN 0.109 nan 8.370 nan 0.000 0.555 515 L N 1.327 122.589 121.223 0.065 0.000 2.362 515 L HA 0.067 4.400 4.340 -0.012 0.000 0.219 515 L C 1.429 178.350 176.870 0.084 0.000 1.134 515 L CA 1.394 56.302 54.840 0.113 0.000 0.807 515 L CB -0.019 42.101 42.059 0.102 0.000 0.927 515 L HN 0.270 nan 8.230 nan 0.000 0.447 516 D N -0.615 119.810 120.400 0.043 0.000 2.221 516 D HA -0.221 4.412 4.640 -0.012 0.000 0.204 516 D C 1.848 178.166 176.300 0.031 0.000 0.982 516 D CA 0.872 54.883 54.000 0.019 0.000 0.857 516 D CB 0.079 40.878 40.800 -0.002 0.000 0.934 516 D HN 0.554 nan 8.370 nan 0.000 0.475 517 Q N 0.034 119.869 119.800 0.059 0.000 2.364 517 Q HA -0.067 4.266 4.340 -0.012 0.000 0.209 517 Q C 2.288 178.304 176.000 0.026 0.000 0.977 517 Q CA 0.262 56.101 55.803 0.060 0.000 0.885 517 Q CB 0.000 28.803 28.738 0.109 0.000 0.941 517 Q HN 0.395 nan 8.270 nan 0.000 0.464 518 L N 0.133 121.365 121.223 0.016 0.000 2.261 518 L HA -0.193 4.140 4.340 -0.012 0.000 0.216 518 L C 2.253 179.112 176.870 -0.018 0.000 1.114 518 L CA 0.857 55.669 54.840 -0.046 0.000 0.777 518 L CB -0.375 41.668 42.059 -0.026 0.000 0.910 518 L HN 0.220 nan 8.230 nan 0.000 0.440 519 R N 0.375 120.877 120.500 0.004 0.000 2.170 519 R HA -0.189 4.143 4.340 -0.012 0.000 0.242 519 R C 2.067 178.373 176.300 0.009 0.000 1.145 519 R CA 1.091 57.196 56.100 0.008 0.000 0.984 519 R CB -0.239 30.063 30.300 0.004 0.000 0.869 519 R HN 0.413 nan 8.270 nan 0.000 0.455 520 K N 0.590 120.994 120.400 0.006 0.000 2.281 520 K HA -0.099 4.213 4.320 -0.012 0.000 0.203 520 K C 1.851 178.491 176.600 0.067 0.000 1.046 520 K CA 0.836 57.137 56.287 0.023 0.000 0.938 520 K CB -0.066 32.450 32.500 0.026 0.000 0.737 520 K HN 0.229 nan 8.250 nan 0.000 0.458 521 L N 0.620 121.859 121.223 0.028 0.000 2.376 521 L HA -0.121 4.212 4.340 -0.012 0.000 0.219 521 L C 1.772 178.709 176.870 0.111 0.000 1.133 521 L CA 0.059 54.926 54.840 0.046 0.000 0.816 521 L CB -0.270 41.770 42.059 -0.032 0.000 0.933 521 L HN 0.141 nan 8.230 nan 0.000 0.449 522 L N 0.080 121.340 121.223 0.062 0.000 2.187 522 L HA -0.167 4.165 4.340 -0.012 0.000 0.213 522 L C 2.669 179.542 176.870 0.006 0.000 1.100 522 L CA 1.968 56.833 54.840 0.042 0.000 0.765 522 L CB -1.299 40.770 42.059 0.016 0.000 0.904 522 L HN 0.399 nan 8.230 nan 0.000 0.437 523 S N -2.573 113.095 115.700 -0.053 0.000 2.607 523 S HA -0.071 4.392 4.470 -0.012 0.000 0.224 523 S C 1.211 175.580 174.600 -0.384 0.000 0.969 523 S CA 0.147 58.218 58.200 -0.215 0.000 0.927 523 S CB -0.434 62.592 63.200 -0.290 0.000 0.772 523 S HN 0.452 nan 8.310 nan 0.000 0.533 524 Y N -0.454 119.801 120.300 -0.075 0.000 2.557 524 Y HA 0.436 4.985 4.550 -0.002 0.000 0.247 524 Y C 1.865 177.827 175.900 0.103 0.000 1.164 524 Y CA -0.547 57.520 58.100 -0.055 0.000 1.218 524 Y CB 0.293 38.557 38.460 -0.326 0.000 1.210 524 Y HN 0.255 nan 8.280 nan 0.000 0.529 525 V N 0.342 120.363 119.914 0.179 0.000 2.626 525 V HA -0.199 3.914 4.120 -0.012 0.000 0.252 525 V C 1.042 177.210 176.094 0.124 0.000 1.067 525 V CA 2.183 64.581 62.300 0.163 0.000 1.081 525 V CB 0.013 31.893 31.823 0.095 0.000 0.686 525 V HN 0.335 nan 8.190 nan 0.000 0.468 526 D N -0.582 119.871 120.400 0.089 0.000 2.369 526 D HA 0.090 4.723 4.640 -0.012 0.000 0.211 526 D C 0.469 176.821 176.300 0.087 0.000 1.077 526 D CA 0.049 54.089 54.000 0.066 0.000 0.842 526 D CB 0.044 40.859 40.800 0.026 0.000 0.947 526 D HN 0.442 nan 8.370 nan 0.000 0.509 527 D N 1.455 121.946 120.400 0.151 0.000 2.338 527 D HA -0.036 4.597 4.640 -0.012 0.000 0.255 527 D C 1.179 177.588 176.300 0.181 0.000 1.237 527 D CA 0.028 54.140 54.000 0.188 0.000 0.883 527 D CB 1.562 42.562 40.800 0.334 0.000 1.087 527 D HN -0.168 nan 8.370 nan 0.000 0.485 528 E N 3.440 123.710 120.200 0.117 0.000 2.110 528 E HA -0.151 4.191 4.350 -0.012 0.000 0.193 528 E C 1.722 178.375 176.600 0.088 0.000 0.988 528 E CA 1.509 57.959 56.400 0.084 0.000 0.804 528 E CB -0.033 29.700 29.700 0.055 0.000 0.745 528 E HN 0.577 nan 8.360 nan 0.000 0.458 529 A N -0.264 122.625 122.820 0.116 0.000 1.873 529 A HA -0.130 4.182 4.320 -0.012 0.000 0.215 529 A C 2.252 179.922 177.584 0.144 0.000 1.186 529 A CA 1.344 53.448 52.037 0.111 0.000 0.616 529 A CB -0.989 18.081 19.000 0.117 0.000 0.823 529 A HN 0.450 nan 8.150 nan 0.000 0.442 530 F N 0.458 120.430 119.950 0.036 0.000 2.102 530 F HA -0.157 4.363 4.527 -0.012 0.000 0.298 530 F C 2.059 177.867 175.800 0.013 0.000 1.105 530 F CA 1.646 59.650 58.000 0.007 0.000 1.239 530 F CB -0.133 38.876 39.000 0.016 0.000 0.991 530 F HN 0.168 nan 8.300 nan 0.000 0.474 531 I N 0.397 120.966 120.570 -0.002 0.000 2.118 531 I HA -0.399 3.764 4.170 -0.012 0.000 0.241 531 I C 2.609 178.653 176.117 -0.122 0.000 1.070 531 I CA 1.947 63.195 61.300 -0.087 0.000 1.327 531 I CB -0.586 37.422 38.000 0.013 0.000 1.034 531 I HN 0.127 nan 8.210 nan 0.000 0.405 532 R N 0.844 121.307 120.500 -0.062 0.000 2.105 532 R HA -0.205 4.127 4.340 -0.012 0.000 0.239 532 R C 1.793 178.039 176.300 -0.090 0.000 1.135 532 R CA 1.978 58.044 56.100 -0.057 0.000 0.967 532 R CB -0.166 30.122 30.300 -0.020 0.000 0.861 532 R HN 0.316 nan 8.270 nan 0.000 0.442 533 D N -0.285 120.038 120.400 -0.128 0.000 2.123 533 D HA -0.101 4.532 4.640 -0.012 0.000 0.200 533 D C 1.950 178.124 176.300 -0.210 0.000 0.976 533 D CA 1.213 55.128 54.000 -0.141 0.000 0.831 533 D CB -0.125 40.612 40.800 -0.104 0.000 0.974 533 D HN 0.083 nan 8.370 nan 0.000 0.469 534 V N 1.448 121.139 119.914 -0.372 0.000 2.295 534 V HA -0.239 3.874 4.120 -0.012 0.000 0.246 534 V C 2.509 178.513 176.094 -0.150 0.000 1.049 534 V CA 1.891 63.995 62.300 -0.326 0.000 1.024 534 V CB -0.825 30.724 31.823 -0.456 0.000 0.648 534 V HN 0.183 nan 8.190 nan 0.000 0.447 535 A N -0.407 122.341 122.820 -0.120 0.000 1.930 535 A HA -0.241 4.071 4.320 -0.012 0.000 0.217 535 A C 2.338 179.885 177.584 -0.061 0.000 1.175 535 A CA 2.080 54.079 52.037 -0.063 0.000 0.627 535 A CB -0.442 18.524 19.000 -0.058 0.000 0.815 535 A HN 0.545 nan 8.150 nan 0.000 0.443 536 K N -0.255 120.104 120.400 -0.068 0.000 2.002 536 K HA -0.091 4.222 4.320 -0.012 0.000 0.209 536 K C 1.831 178.407 176.600 -0.040 0.000 1.048 536 K CA 1.609 57.866 56.287 -0.050 0.000 0.930 536 K CB -0.329 32.145 32.500 -0.044 0.000 0.714 536 K HN 0.181 nan 8.250 nan 0.000 0.438 537 V N 1.817 121.703 119.914 -0.047 0.000 2.282 537 V HA -0.286 3.826 4.120 -0.012 0.000 0.249 537 V C 2.416 178.501 176.094 -0.016 0.000 1.057 537 V CA 2.163 64.446 62.300 -0.028 0.000 1.032 537 V CB -0.515 31.288 31.823 -0.034 0.000 0.645 537 V HN 0.385 nan 8.190 nan 0.000 0.447 538 K N 0.311 120.699 120.400 -0.021 0.000 2.002 538 K HA -0.233 4.080 4.320 -0.012 0.000 0.209 538 K C 2.188 178.764 176.600 -0.040 0.000 1.048 538 K CA 1.908 58.188 56.287 -0.012 0.000 0.930 538 K CB -0.585 31.921 32.500 0.010 0.000 0.714 538 K HN 0.383 nan 8.250 nan 0.000 0.438 539 Q N 1.037 120.806 119.800 -0.053 0.000 2.096 539 Q HA -0.141 4.191 4.340 -0.012 0.000 0.204 539 Q C 1.749 177.729 176.000 -0.032 0.000 0.982 539 Q CA 2.074 57.837 55.803 -0.067 0.000 0.850 539 Q CB -0.164 28.537 28.738 -0.061 0.000 0.901 539 Q HN 0.508 nan 8.270 nan 0.000 0.422 540 E N -0.531 119.663 120.200 -0.011 0.000 2.085 540 E HA -0.193 4.150 4.350 -0.012 0.000 0.194 540 E C 1.726 178.351 176.600 0.041 0.000 0.994 540 E CA 1.168 57.576 56.400 0.014 0.000 0.801 540 E CB -0.090 29.617 29.700 0.011 0.000 0.743 540 E HN 0.415 nan 8.360 nan 0.000 0.453 541 N N 0.644 119.367 118.700 0.038 0.000 2.188 541 N HA -0.102 4.630 4.740 -0.012 0.000 0.184 541 N C 1.448 177.041 175.510 0.137 0.000 1.018 541 N CA 0.934 54.030 53.050 0.076 0.000 0.858 541 N CB -0.024 38.494 38.487 0.052 0.000 0.989 541 N HN 0.129 nan 8.380 nan 0.000 0.426 542 K N 0.494 120.932 120.400 0.063 0.000 2.103 542 K HA 0.053 4.366 4.320 -0.012 0.000 0.204 542 K C 2.045 178.768 176.600 0.204 0.000 1.052 542 K CA 0.555 56.885 56.287 0.071 0.000 0.945 542 K CB -0.070 32.190 32.500 -0.399 0.000 0.722 542 K HN 0.089 nan 8.250 nan 0.000 0.443 543 L N 1.228 122.519 121.223 0.113 0.000 2.027 543 L HA -0.186 4.147 4.340 -0.012 0.000 0.206 543 L C 2.601 179.569 176.870 0.164 0.000 1.074 543 L CA 1.308 56.224 54.840 0.127 0.000 0.745 543 L CB -0.338 41.764 42.059 0.071 0.000 0.898 543 L HN 0.142 nan 8.230 nan 0.000 0.433 544 K N -0.247 120.252 120.400 0.164 0.000 2.074 544 K HA -0.260 4.052 4.320 -0.012 0.000 0.209 544 K C 2.162 178.915 176.600 0.255 0.000 1.048 544 K CA 1.863 58.257 56.287 0.177 0.000 0.926 544 K CB -0.188 32.404 32.500 0.154 0.000 0.713 544 K HN 0.109 nan 8.250 nan 0.000 0.444 545 F N 0.753 120.811 119.950 0.181 0.000 2.259 545 F HA 0.027 4.547 4.527 -0.012 0.000 0.298 545 F C 1.948 177.900 175.800 0.253 0.000 1.088 545 F CA 0.978 59.113 58.000 0.224 0.000 1.358 545 F CB -0.163 38.972 39.000 0.225 0.000 1.040 545 F HN 0.068 nan 8.300 nan 0.000 0.505 546 A N 0.052 123.056 122.820 0.307 0.000 1.969 546 A HA -0.013 4.299 4.320 -0.012 0.000 0.218 546 A C 2.358 179.983 177.584 0.067 0.000 1.169 546 A CA 1.511 53.661 52.037 0.188 0.000 0.635 546 A CB -1.304 17.860 19.000 0.274 0.000 0.810 546 A HN 0.415 nan 8.150 nan 0.000 0.445 547 A N -1.436 121.437 122.820 0.088 0.000 1.872 547 A HA -0.049 4.264 4.320 -0.012 0.000 0.214 547 A C 2.118 179.710 177.584 0.013 0.000 1.187 547 A CA 1.453 53.521 52.037 0.052 0.000 0.614 547 A CB -0.834 18.213 19.000 0.079 0.000 0.826 547 A HN 0.701 nan 8.150 nan 0.000 0.442 548 Y N 0.604 120.840 120.300 -0.106 0.000 2.165 548 Y HA -0.189 4.353 4.550 -0.012 0.000 0.286 548 Y C 1.933 177.733 175.900 -0.167 0.000 1.155 548 Y CA 1.875 59.888 58.100 -0.145 0.000 1.164 548 Y CB -0.243 38.107 38.460 -0.184 0.000 0.978 548 Y HN 0.218 nan 8.280 nan 0.000 0.513 549 L N -0.035 121.056 121.223 -0.220 0.000 2.046 549 L HA -0.219 4.113 4.340 -0.012 0.000 0.208 549 L C 2.503 179.286 176.870 -0.145 0.000 1.077 549 L CA 1.653 56.377 54.840 -0.193 0.000 0.747 549 L CB -0.532 41.392 42.059 -0.225 0.000 0.896 549 L HN 0.317 nan 8.230 nan 0.000 0.432 550 E N -0.213 119.900 120.200 -0.144 0.000 2.017 550 E HA -0.226 4.117 4.350 -0.012 0.000 0.193 550 E C 2.338 178.836 176.600 -0.169 0.000 0.997 550 E CA 1.168 57.477 56.400 -0.151 0.000 0.804 550 E CB 0.026 29.667 29.700 -0.098 0.000 0.757 550 E HN 0.344 nan 8.360 nan 0.000 0.448 551 R N 0.650 121.041 120.500 -0.181 0.000 2.109 551 R HA -0.174 4.158 4.340 -0.012 0.000 0.227 551 R C 2.288 178.407 176.300 -0.302 0.000 1.132 551 R CA 1.753 57.732 56.100 -0.201 0.000 0.907 551 R CB -0.213 29.984 30.300 -0.172 0.000 0.825 551 R HN 0.030 nan 8.270 nan 0.000 0.432 552 E N -1.382 118.514 120.200 -0.508 0.000 2.338 552 E HA -0.141 4.202 4.350 -0.012 0.000 0.197 552 E C 0.358 176.403 176.600 -0.925 0.000 1.007 552 E CA 1.062 57.003 56.400 -0.766 0.000 0.849 552 E CB 0.288 29.302 29.700 -1.143 0.000 0.774 552 E HN 0.417 nan 8.360 nan 0.000 0.506 553 Y N -1.226 118.915 120.300 -0.266 0.000 2.666 553 Y HA 0.235 4.777 4.550 -0.013 0.000 0.260 553 Y C -0.125 175.687 175.900 -0.147 0.000 1.089 553 Y CA -0.645 57.354 58.100 -0.169 0.000 1.246 553 Y CB 0.872 39.241 38.460 -0.151 0.000 1.353 553 Y HN -0.294 nan 8.280 nan 0.000 0.558 554 K N 0.870 121.222 120.400 -0.081 0.000 3.156 554 K HA -0.139 4.173 4.320 -0.012 0.000 0.266 554 K C -0.430 176.058 176.600 -0.186 0.000 0.966 554 K CA 0.891 57.097 56.287 -0.134 0.000 0.719 554 K CB -2.119 30.329 32.500 -0.087 0.000 1.333 554 K HN 0.293 nan 8.250 nan 0.000 0.468 555 V N -1.973 117.825 119.914 -0.194 0.000 2.628 555 V HA 0.542 4.654 4.120 -0.012 0.000 0.306 555 V C 0.408 176.335 176.094 -0.277 0.000 1.045 555 V CA -0.905 61.278 62.300 -0.195 0.000 0.905 555 V CB 2.274 34.058 31.823 -0.066 0.000 0.997 555 V HN 0.249 nan 8.190 nan 0.000 0.436 556 H N 5.048 124.123 119.070 0.008 0.000 2.489 556 H HA 0.718 5.267 4.556 -0.013 0.000 0.322 556 H C -0.293 175.039 175.328 0.005 0.000 1.091 556 H CA -0.059 55.996 56.048 0.012 0.000 1.291 556 H CB 1.892 31.665 29.762 0.019 0.000 1.436 556 H HN 0.907 nan 8.280 nan 0.000 0.480 557 I N -0.125 120.522 120.570 0.129 0.000 2.802 557 I HA 0.326 4.488 4.170 -0.012 0.000 0.298 557 I C -0.349 175.856 176.117 0.147 0.000 1.176 557 I CA -1.240 60.121 61.300 0.101 0.000 1.025 557 I CB 2.198 40.222 38.000 0.040 0.000 1.243 557 I HN 0.210 nan 8.210 nan 0.000 0.424 558 N N 5.842 124.627 118.700 0.142 0.000 2.405 558 N HA 0.356 5.089 4.740 -0.012 0.000 0.260 558 N C -1.970 173.684 175.510 0.240 0.000 1.152 558 N CA -2.262 50.877 53.050 0.149 0.000 0.948 558 N CB 0.911 39.458 38.487 0.100 0.000 1.111 558 N HN 0.418 nan 8.380 nan 0.000 0.485 559 P HA 0.089 nan 4.420 nan 0.000 0.245 559 P C -0.161 177.132 177.300 -0.012 0.000 1.212 559 P CA 0.762 63.962 63.100 0.166 0.000 0.774 559 P CB 0.196 31.970 31.700 0.123 0.000 0.999 560 N N -1.022 117.704 118.700 0.043 0.000 2.336 560 N HA -0.001 4.732 4.740 -0.012 0.000 0.189 560 N C 0.401 175.945 175.510 0.056 0.000 1.113 560 N CA -0.070 52.993 53.050 0.022 0.000 0.858 560 N CB 0.021 38.529 38.487 0.035 0.000 0.970 560 N HN 0.137 nan 8.380 nan 0.000 0.471 561 S N 0.110 115.857 115.700 0.078 0.000 2.614 561 S HA 0.184 4.646 4.470 -0.012 0.000 0.265 561 S C 0.087 174.651 174.600 -0.060 0.000 1.303 561 S CA -0.888 57.342 58.200 0.050 0.000 1.000 561 S CB 1.019 64.280 63.200 0.101 0.000 0.935 561 S HN 0.162 nan 8.310 nan 0.000 0.551 562 L N 1.886 122.911 121.223 -0.330 0.000 2.410 562 L HA 0.345 4.678 4.340 -0.012 0.000 0.273 562 L C -0.885 175.962 176.870 -0.039 0.000 1.144 562 L CA -0.484 53.977 54.840 -0.631 0.000 0.863 562 L CB -0.152 41.272 42.059 -1.059 0.000 1.140 562 L HN 0.702 nan 8.230 nan 0.000 0.463 563 F N 4.162 123.965 119.950 -0.244 0.000 2.405 563 F HA 0.104 4.624 4.527 -0.011 0.000 0.358 563 F C 0.395 176.111 175.800 -0.139 0.000 1.151 563 F CA -0.821 57.103 58.000 -0.126 0.000 1.161 563 F CB 0.627 39.600 39.000 -0.045 0.000 1.245 563 F HN 0.504 nan 8.300 nan 0.000 0.545 564 D N 4.991 125.377 120.400 -0.023 0.000 2.412 564 D HA 0.246 4.879 4.640 -0.012 0.000 0.224 564 D C -1.075 175.148 176.300 -0.130 0.000 1.093 564 D CA -0.138 53.803 54.000 -0.099 0.000 0.850 564 D CB 1.414 42.145 40.800 -0.115 0.000 1.046 564 D HN 0.273 nan 8.370 nan 0.000 0.507 565 V N 2.570 122.381 119.914 -0.172 0.000 2.540 565 V HA 0.576 4.689 4.120 -0.012 0.000 0.302 565 V C -1.274 174.642 176.094 -0.297 0.000 1.035 565 V CA -0.696 61.483 62.300 -0.200 0.000 0.873 565 V CB 1.804 33.564 31.823 -0.104 0.000 0.992 565 V HN 0.516 nan 8.190 nan 0.000 0.428 566 Q N 4.551 124.201 119.800 -0.250 0.000 2.394 566 Q HA 0.676 5.009 4.340 -0.012 0.000 0.261 566 Q C -1.373 174.448 176.000 -0.298 0.000 1.023 566 Q CA -0.648 54.998 55.803 -0.262 0.000 0.720 566 Q CB 1.865 30.482 28.738 -0.202 0.000 1.241 566 Q HN 1.141 nan 8.270 nan 0.000 0.483 567 V N 1.770 121.494 119.914 -0.316 0.000 2.487 567 V HA 0.869 4.981 4.120 -0.012 0.000 0.298 567 V C -0.912 174.901 176.094 -0.467 0.000 1.028 567 V CA -0.596 61.334 62.300 -0.617 0.000 0.860 567 V CB 1.316 32.534 31.823 -1.009 0.000 0.991 567 V HN 0.848 nan 8.190 nan 0.000 0.427 568 K N 2.311 122.475 120.400 -0.394 0.000 3.076 568 K HA 0.324 4.637 4.320 -0.012 0.000 0.314 568 K C -1.310 175.301 176.600 0.019 0.000 1.113 568 K CA -1.136 55.124 56.287 -0.046 0.000 0.860 568 K CB 0.744 33.211 32.500 -0.056 0.000 1.435 568 K HN 0.499 nan 8.250 nan 0.000 0.374 569 R N 0.956 121.535 120.500 0.130 0.000 2.698 569 R HA 0.148 4.481 4.340 -0.012 0.000 0.266 569 R C 0.436 176.768 176.300 0.052 0.000 1.026 569 R CA -0.266 55.914 56.100 0.133 0.000 1.102 569 R CB -0.135 30.303 30.300 0.229 0.000 0.978 569 R HN 0.461 nan 8.270 nan 0.000 0.436 570 I N 4.030 124.567 120.570 -0.053 0.000 2.452 570 I HA 0.109 4.272 4.170 -0.012 0.000 0.287 570 I C 0.341 176.247 176.117 -0.352 0.000 1.079 570 I CA 0.324 61.538 61.300 -0.144 0.000 1.387 570 I CB -0.368 37.565 38.000 -0.113 0.000 1.404 570 I HN 0.448 nan 8.210 nan 0.000 0.522 571 H N 2.870 121.870 119.070 -0.116 0.000 3.012 571 H HA 0.244 4.793 4.556 -0.012 0.000 0.367 571 H C 0.524 175.752 175.328 -0.165 0.000 1.211 571 H CA -0.570 55.456 56.048 -0.037 0.000 1.139 571 H CB 1.850 31.498 29.762 -0.190 0.000 1.838 571 H HN 0.479 nan 8.280 nan 0.000 0.550 572 E N 0.794 121.058 120.200 0.106 0.000 2.077 572 E HA -0.238 4.105 4.350 -0.012 0.000 0.193 572 E C 1.263 177.571 176.600 -0.485 0.000 0.989 572 E CA 1.551 57.914 56.400 -0.061 0.000 0.800 572 E CB -0.006 29.828 29.700 0.222 0.000 0.746 572 E HN 0.656 nan 8.360 nan 0.000 0.452 573 Y N 0.829 120.578 120.300 -0.919 0.000 2.352 573 Y HA -0.035 4.508 4.550 -0.013 0.000 0.292 573 Y C 1.536 177.188 175.900 -0.414 0.000 1.136 573 Y CA 0.883 58.305 58.100 -1.130 0.000 1.227 573 Y CB -0.115 37.772 38.460 -0.956 0.000 0.991 573 Y HN -0.205 nan 8.280 nan 0.000 0.545 574 K N 0.646 120.573 120.400 -0.788 0.000 2.366 574 K HA 0.069 4.382 4.320 -0.012 0.000 0.198 574 K C 0.187 176.620 176.600 -0.280 0.000 1.044 574 K CA 0.526 56.484 56.287 -0.549 0.000 0.973 574 K CB -0.021 32.157 32.500 -0.537 0.000 0.767 574 K HN 0.247 nan 8.250 nan 0.000 0.475 575 R N 0.363 120.725 120.500 -0.231 0.000 3.422 575 R HA -0.237 4.095 4.340 -0.012 0.000 0.267 575 R C 0.332 176.553 176.300 -0.131 0.000 1.074 575 R CA 0.255 56.270 56.100 -0.141 0.000 0.718 575 R CB -1.955 28.279 30.300 -0.109 0.000 1.157 575 R HN 0.303 nan 8.270 nan 0.000 0.440 576 Q N 0.410 120.132 119.800 -0.130 0.000 2.197 576 Q HA -0.119 4.213 4.340 -0.012 0.000 0.207 576 Q C 2.062 178.016 176.000 -0.076 0.000 0.984 576 Q CA 1.742 57.483 55.803 -0.103 0.000 0.869 576 Q CB -0.057 28.623 28.738 -0.096 0.000 0.906 576 Q HN 0.584 nan 8.270 nan 0.000 0.426 577 L N -0.555 120.628 121.223 -0.068 0.000 2.079 577 L HA -0.207 4.126 4.340 -0.012 0.000 0.210 577 L C 2.085 178.960 176.870 0.007 0.000 1.081 577 L CA 0.731 55.548 54.840 -0.038 0.000 0.752 577 L CB -0.358 41.692 42.059 -0.016 0.000 0.896 577 L HN 0.319 nan 8.230 nan 0.000 0.433 578 L N -0.082 121.136 121.223 -0.008 0.000 2.046 578 L HA -0.237 4.095 4.340 -0.012 0.000 0.208 578 L C 2.024 178.942 176.870 0.079 0.000 1.077 578 L CA 1.914 56.760 54.840 0.010 0.000 0.747 578 L CB -0.791 41.169 42.059 -0.165 0.000 0.896 578 L HN 0.277 nan 8.230 nan 0.000 0.432 579 N N -1.618 117.095 118.700 0.022 0.000 2.069 579 N HA -0.245 4.488 4.740 -0.012 0.000 0.191 579 N C 1.941 177.534 175.510 0.139 0.000 1.031 579 N CA 1.671 54.817 53.050 0.159 0.000 0.852 579 N CB -0.152 38.356 38.487 0.037 0.000 1.018 579 N HN 0.498 nan 8.380 nan 0.000 0.423 580 C N 0.555 119.872 119.300 0.028 0.000 2.413 580 C HA -0.086 4.367 4.460 -0.012 0.000 0.276 580 C C 2.580 177.563 174.990 -0.011 0.000 1.248 580 C CA 0.403 59.392 59.018 -0.048 0.000 1.742 580 C CB -1.256 26.404 27.740 -0.132 0.000 2.017 580 C HN 0.505 nan 8.230 nan 0.000 0.481 581 L N -0.441 120.838 121.223 0.093 0.000 2.046 581 L HA -0.185 4.148 4.340 -0.012 0.000 0.208 581 L C 2.769 179.794 176.870 0.258 0.000 1.077 581 L CA 1.781 56.723 54.840 0.170 0.000 0.747 581 L CB -1.111 41.115 42.059 0.279 0.000 0.896 581 L HN 0.576 nan 8.230 nan 0.000 0.432 582 H N 0.096 119.284 119.070 0.196 0.000 2.319 582 H HA -0.152 4.397 4.556 -0.012 0.000 0.299 582 H C 2.223 177.545 175.328 -0.010 0.000 1.092 582 H CA 2.039 58.114 56.048 0.045 0.000 1.302 582 H CB 0.307 30.024 29.762 -0.075 0.000 1.373 582 H HN 0.097 nan 8.280 nan 0.000 0.497 583 V N 1.462 121.299 119.914 -0.128 0.000 2.343 583 V HA -0.268 3.844 4.120 -0.012 0.000 0.247 583 V C 2.835 178.859 176.094 -0.117 0.000 1.051 583 V CA 1.881 64.068 62.300 -0.189 0.000 1.036 583 V CB -0.497 31.262 31.823 -0.106 0.000 0.654 583 V HN 0.382 nan 8.190 nan 0.000 0.451 584 I N -0.174 120.363 120.570 -0.056 0.000 2.315 584 I HA -0.217 3.946 4.170 -0.012 0.000 0.248 584 I C 2.513 178.679 176.117 0.082 0.000 1.117 584 I CA 1.692 63.023 61.300 0.051 0.000 1.404 584 I CB -0.721 37.285 38.000 0.010 0.000 1.071 584 I HN 0.313 nan 8.210 nan 0.000 0.419 585 T N 1.271 115.834 114.554 0.015 0.000 2.684 585 T HA -0.168 4.174 4.350 -0.012 0.000 0.267 585 T C 1.870 176.524 174.700 -0.076 0.000 1.036 585 T CA 1.310 63.410 62.100 0.001 0.000 1.148 585 T CB -0.268 68.629 68.868 0.048 0.000 0.863 585 T HN 0.079 nan 8.240 nan 0.000 0.436 586 L N 0.004 121.117 121.223 -0.183 0.000 2.017 586 L HA -0.004 4.328 4.340 -0.012 0.000 0.208 586 L C 2.108 178.937 176.870 -0.068 0.000 1.073 586 L CA 1.547 56.277 54.840 -0.183 0.000 0.745 586 L CB -1.108 40.776 42.059 -0.291 0.000 0.894 586 L HN 0.355 nan 8.230 nan 0.000 0.432 587 Y N 0.357 120.591 120.300 -0.109 0.000 2.128 587 Y HA -0.297 4.246 4.550 -0.013 0.000 0.284 587 Y C 2.425 178.303 175.900 -0.038 0.000 1.154 587 Y CA 1.871 59.944 58.100 -0.044 0.000 1.149 587 Y CB -0.090 38.386 38.460 0.027 0.000 0.976 587 Y HN 0.289 nan 8.280 nan 0.000 0.505 588 N N 0.380 119.031 118.700 -0.082 0.000 2.188 588 N HA -0.130 4.603 4.740 -0.012 0.000 0.184 588 N C 1.829 177.230 175.510 -0.181 0.000 1.018 588 N CA 1.413 54.358 53.050 -0.176 0.000 0.858 588 N CB -0.359 38.083 38.487 -0.075 0.000 0.989 588 N HN 0.441 nan 8.380 nan 0.000 0.426 589 R N 0.431 120.849 120.500 -0.136 0.000 2.092 589 R HA 0.078 4.410 4.340 -0.012 0.000 0.231 589 R C 2.212 178.428 176.300 -0.140 0.000 1.119 589 R CA 0.762 56.790 56.100 -0.120 0.000 0.970 589 R CB -0.225 30.015 30.300 -0.101 0.000 0.864 589 R HN 0.231 nan 8.270 nan 0.000 0.440 590 I N 0.914 121.380 120.570 -0.174 0.000 2.202 590 I HA -0.266 3.896 4.170 -0.012 0.000 0.242 590 I C 2.075 178.072 176.117 -0.199 0.000 1.091 590 I CA 1.187 62.382 61.300 -0.174 0.000 1.368 590 I CB -0.180 37.719 38.000 -0.168 0.000 1.058 590 I HN 0.022 nan 8.210 nan 0.000 0.410 591 K N 0.872 121.089 120.400 -0.304 0.000 2.209 591 K HA -0.186 4.127 4.320 -0.012 0.000 0.204 591 K C 2.001 178.503 176.600 -0.164 0.000 1.048 591 K CA 1.114 57.238 56.287 -0.273 0.000 0.940 591 K CB -0.293 31.969 32.500 -0.397 0.000 0.729 591 K HN 0.338 nan 8.250 nan 0.000 0.451 592 K N 1.142 121.454 120.400 -0.147 0.000 2.062 592 K HA -0.081 4.232 4.320 -0.012 0.000 0.205 592 K C 0.018 176.572 176.600 -0.077 0.000 1.051 592 K CA 1.057 57.284 56.287 -0.100 0.000 0.941 592 K CB 0.326 32.772 32.500 -0.090 0.000 0.719 592 K HN 0.078 nan 8.250 nan 0.000 0.440 593 E N 0.224 120.377 120.200 -0.079 0.000 3.037 593 E HA 0.124 4.466 4.350 -0.012 0.000 0.220 593 E C -2.310 174.255 176.600 -0.059 0.000 1.142 593 E CA -1.626 54.740 56.400 -0.057 0.000 0.888 593 E CB 1.721 31.393 29.700 -0.046 0.000 1.329 593 E HN 0.130 nan 8.360 nan 0.000 0.409 594 P HA -0.125 nan 4.420 nan 0.000 0.218 594 P C 0.144 177.424 177.300 -0.034 0.000 1.149 594 P CA 1.153 64.219 63.100 -0.056 0.000 0.817 594 P CB 0.201 31.873 31.700 -0.047 0.000 0.785 595 N N -1.177 117.513 118.700 -0.018 0.000 2.276 595 N HA 0.027 4.760 4.740 -0.012 0.000 0.212 595 N C 0.478 176.001 175.510 0.022 0.000 1.127 595 N CA -0.163 52.889 53.050 0.003 0.000 0.834 595 N CB 0.156 38.645 38.487 0.004 0.000 1.014 595 N HN 0.001 nan 8.380 nan 0.000 0.491 596 K N 1.154 121.562 120.400 0.012 0.000 2.130 596 K HA 0.170 4.482 4.320 -0.012 0.000 0.268 596 K C -0.938 175.699 176.600 0.063 0.000 0.983 596 K CA -0.602 55.709 56.287 0.039 0.000 0.893 596 K CB 0.764 33.269 32.500 0.008 0.000 1.066 596 K HN -0.057 nan 8.250 nan 0.000 0.450 597 F N 4.409 124.347 119.950 -0.021 0.000 2.495 597 F HA 0.181 4.701 4.527 -0.012 0.000 0.365 597 F C -0.326 175.461 175.800 -0.022 0.000 1.090 597 F CA -0.123 57.865 58.000 -0.019 0.000 1.235 597 F CB 0.579 39.570 39.000 -0.014 0.000 1.119 597 F HN 0.179 nan 8.300 nan 0.000 0.562 598 V N 4.457 123.825 119.914 -0.909 0.000 2.823 598 V HA 0.563 4.675 4.120 -0.012 0.000 0.312 598 V C -0.705 174.741 176.094 -1.080 0.000 1.072 598 V CA -1.189 60.675 62.300 -0.728 0.000 0.937 598 V CB 1.070 32.674 31.823 -0.366 0.000 1.013 598 V HN 0.556 nan 8.190 nan 0.000 0.430 599 V N 5.095 124.670 119.914 -0.565 0.000 2.485 599 V HA 0.201 4.314 4.120 -0.012 0.000 0.287 599 V C -1.831 174.097 176.094 -0.275 0.000 1.022 599 V CA -0.507 61.609 62.300 -0.306 0.000 1.067 599 V CB 0.404 32.182 31.823 -0.074 0.000 0.967 599 V HN 0.906 nan 8.190 nan 0.000 0.479 600 P HA 0.328 nan 4.420 nan 0.000 0.271 600 P C -0.424 176.788 177.300 -0.147 0.000 1.216 600 P CA -0.082 62.928 63.100 -0.151 0.000 0.776 600 P CB 0.554 32.214 31.700 -0.067 0.000 0.881 601 R N 1.058 121.483 120.500 -0.126 0.000 2.686 601 R HA 0.560 4.892 4.340 -0.012 0.000 0.286 601 R C -0.713 175.547 176.300 -0.067 0.000 0.969 601 R CA -0.620 55.408 56.100 -0.121 0.000 0.898 601 R CB 1.918 32.134 30.300 -0.140 0.000 1.183 601 R HN 0.313 nan 8.270 nan 0.000 0.456 602 T N 2.120 116.651 114.554 -0.040 0.000 2.788 602 T HA 0.242 4.585 4.350 -0.012 0.000 0.296 602 T C -0.295 174.319 174.700 -0.142 0.000 1.009 602 T CA -0.499 61.541 62.100 -0.100 0.000 0.949 602 T CB 1.161 69.922 68.868 -0.177 0.000 0.946 602 T HN 0.131 nan 8.240 nan 0.000 0.453 603 V N 5.843 125.680 119.914 -0.127 0.000 2.364 603 V HA 0.416 4.529 4.120 -0.012 0.000 0.272 603 V C 0.028 176.039 176.094 -0.138 0.000 1.036 603 V CA -0.410 61.819 62.300 -0.119 0.000 0.880 603 V CB 0.644 32.414 31.823 -0.089 0.000 0.991 603 V HN 0.864 nan 8.190 nan 0.000 0.460 604 M N 6.756 126.260 119.600 -0.161 0.000 2.181 604 M HA 0.612 5.084 4.480 -0.012 0.000 0.323 604 M C -0.995 175.184 176.300 -0.201 0.000 1.004 604 M CA -0.119 55.075 55.300 -0.178 0.000 0.941 604 M CB 1.958 34.444 32.600 -0.189 0.000 1.579 604 M HN 0.415 nan 8.290 nan 0.000 0.427 605 I N 1.977 122.409 120.570 -0.230 0.000 2.498 605 I HA 0.835 4.997 4.170 -0.012 0.000 0.290 605 I C 0.104 175.878 176.117 -0.571 0.000 1.032 605 I CA -0.662 60.465 61.300 -0.288 0.000 1.073 605 I CB 2.233 40.144 38.000 -0.148 0.000 1.251 605 I HN 0.794 nan 8.210 nan 0.000 0.426 606 G N 2.981 111.412 108.800 -0.615 0.000 2.690 606 G HA2 0.844 4.797 3.960 -0.012 0.000 0.293 606 G HA3 0.844 4.797 3.960 -0.012 0.000 0.293 606 G C -1.016 173.562 174.900 -0.535 0.000 1.399 606 G CA -0.839 43.754 45.100 -0.844 0.000 0.890 606 G HN 0.982 nan 8.290 nan 0.000 0.485 607 G N -0.358 108.268 108.800 -0.290 0.000 2.352 607 G HA2 0.412 4.365 3.960 -0.012 0.000 0.303 607 G HA3 0.412 4.365 3.960 -0.012 0.000 0.303 607 G C -1.212 173.807 174.900 0.198 0.000 1.593 607 G CA -1.024 44.089 45.100 0.022 0.000 0.963 607 G HN 0.610 nan 8.290 nan 0.000 0.685 608 K N -0.133 120.388 120.400 0.201 0.000 2.098 608 K HA 0.751 5.063 4.320 -0.012 0.000 0.261 608 K C 0.230 176.956 176.600 0.210 0.000 0.987 608 K CA -0.204 56.228 56.287 0.240 0.000 0.916 608 K CB 2.005 34.565 32.500 0.101 0.000 1.039 608 K HN 0.849 nan 8.250 nan 0.000 0.455 609 A N 1.240 124.226 122.820 0.275 0.000 2.317 609 A HA 0.613 4.925 4.320 -0.012 0.000 0.327 609 A C -0.456 177.329 177.584 0.335 0.000 1.178 609 A CA -0.763 51.386 52.037 0.186 0.000 0.817 609 A CB 1.041 20.088 19.000 0.078 0.000 1.189 609 A HN 0.772 nan 8.150 nan 0.000 0.489 610 A N 3.658 126.679 122.820 0.336 0.000 2.567 610 A HA 0.426 4.738 4.320 -0.012 0.000 0.240 610 A C -1.457 176.314 177.584 0.312 0.000 1.053 610 A CA -0.580 51.688 52.037 0.386 0.000 0.755 610 A CB -0.368 18.924 19.000 0.486 0.000 0.978 610 A HN 0.589 nan 8.150 nan 0.000 0.507 611 P HA -0.102 nan 4.420 nan 0.000 0.219 611 P C 1.340 178.694 177.300 0.091 0.000 1.146 611 P CA 1.783 64.879 63.100 -0.006 0.000 0.808 611 P CB 0.206 31.810 31.700 -0.161 0.000 0.779 612 G N -2.694 106.214 108.800 0.181 0.000 3.088 612 G HA2 -0.102 3.850 3.960 -0.012 0.000 0.212 612 G HA3 -0.102 3.850 3.960 -0.012 0.000 0.212 612 G C -0.215 174.819 174.900 0.223 0.000 1.173 612 G CA -0.089 45.111 45.100 0.167 0.000 0.779 612 G HN 0.316 nan 8.290 nan 0.000 0.540 613 Y N 1.321 121.706 120.300 0.141 0.000 2.700 613 Y HA 0.234 4.777 4.550 -0.012 0.000 0.333 613 Y C 1.515 177.482 175.900 0.111 0.000 1.036 613 Y CA -1.130 57.037 58.100 0.110 0.000 1.287 613 Y CB 0.234 38.835 38.460 0.234 0.000 1.132 613 Y HN 0.281 nan 8.280 nan 0.000 0.510 614 H N 4.343 123.583 119.070 0.284 0.000 2.293 614 H HA -0.199 4.349 4.556 -0.012 0.000 0.300 614 H C 1.806 177.194 175.328 0.100 0.000 1.082 614 H CA 2.248 58.385 56.048 0.148 0.000 1.308 614 H CB 0.392 30.219 29.762 0.109 0.000 1.375 614 H HN 0.740 nan 8.280 nan 0.000 0.495 615 M N 1.122 120.750 119.600 0.048 0.000 2.149 615 M HA -0.101 4.371 4.480 -0.012 0.000 0.261 615 M C 2.491 178.600 176.300 -0.319 0.000 1.064 615 M CA 1.829 57.068 55.300 -0.100 0.000 1.102 615 M CB -0.667 32.009 32.600 0.127 0.000 1.369 615 M HN 0.350 nan 8.290 nan 0.000 0.408 616 A N -0.507 121.903 122.820 -0.683 0.000 1.930 616 A HA -0.174 4.139 4.320 -0.012 0.000 0.217 616 A C 2.183 179.605 177.584 -0.271 0.000 1.175 616 A CA 1.756 53.419 52.037 -0.625 0.000 0.627 616 A CB -0.612 17.812 19.000 -0.960 0.000 0.815 616 A HN 0.582 nan 8.150 nan 0.000 0.443 617 K N -1.064 119.232 120.400 -0.173 0.000 2.097 617 K HA -0.052 4.261 4.320 -0.012 0.000 0.205 617 K C 1.929 178.522 176.600 -0.012 0.000 1.050 617 K CA 1.240 57.510 56.287 -0.029 0.000 0.938 617 K CB -0.219 32.322 32.500 0.068 0.000 0.718 617 K HN 0.343 nan 8.250 nan 0.000 0.442 618 M N 0.537 120.077 119.600 -0.100 0.000 2.175 618 M HA -0.090 4.383 4.480 -0.012 0.000 0.264 618 M C 2.146 178.413 176.300 -0.055 0.000 1.063 618 M CA 1.414 56.694 55.300 -0.033 0.000 1.119 618 M CB -0.655 31.898 32.600 -0.078 0.000 1.377 618 M HN 0.120 nan 8.290 nan 0.000 0.415 619 I N -0.096 120.403 120.570 -0.119 0.000 2.226 619 I HA -0.302 3.860 4.170 -0.012 0.000 0.245 619 I C 2.286 178.307 176.117 -0.160 0.000 1.100 619 I CA 1.040 62.257 61.300 -0.138 0.000 1.374 619 I CB -0.284 37.631 38.000 -0.142 0.000 1.057 619 I HN 0.172 nan 8.210 nan 0.000 0.413 620 I N 0.573 121.037 120.570 -0.176 0.000 2.163 620 I HA -0.320 3.842 4.170 -0.012 0.000 0.243 620 I C 2.607 178.483 176.117 -0.403 0.000 1.085 620 I CA 1.284 62.398 61.300 -0.311 0.000 1.347 620 I CB -0.350 37.440 38.000 -0.351 0.000 1.044 620 I HN 0.149 nan 8.210 nan 0.000 0.408 621 K N 1.522 121.692 120.400 -0.382 0.000 2.063 621 K HA -0.167 4.145 4.320 -0.012 0.000 0.208 621 K C 2.041 178.510 176.600 -0.219 0.000 1.048 621 K CA 1.570 57.550 56.287 -0.511 0.000 0.928 621 K CB -0.676 31.247 32.500 -0.963 0.000 0.713 621 K HN 0.232 nan 8.250 nan 0.000 0.442 622 L N 0.353 121.476 121.223 -0.167 0.000 2.012 622 L HA -0.210 4.122 4.340 -0.012 0.000 0.210 622 L C 2.243 178.894 176.870 -0.366 0.000 1.073 622 L CA 1.862 56.417 54.840 -0.474 0.000 0.748 622 L CB -0.329 41.370 42.059 -0.599 0.000 0.891 622 L HN 0.276 nan 8.230 nan 0.000 0.431 623 I N -0.285 120.129 120.570 -0.259 0.000 2.163 623 I HA -0.345 3.817 4.170 -0.012 0.000 0.243 623 I C 2.626 178.653 176.117 -0.150 0.000 1.085 623 I CA 1.976 63.177 61.300 -0.166 0.000 1.347 623 I CB -0.616 37.384 38.000 0.000 0.000 1.044 623 I HN 0.437 nan 8.210 nan 0.000 0.408 624 T N -0.763 113.672 114.554 -0.198 0.000 2.821 624 T HA -0.093 4.250 4.350 -0.012 0.000 0.267 624 T C 1.988 176.627 174.700 -0.102 0.000 1.046 624 T CA 0.982 62.987 62.100 -0.159 0.000 1.139 624 T CB -0.546 68.174 68.868 -0.246 0.000 0.871 624 T HN 0.352 nan 8.240 nan 0.000 0.454 625 A N 1.465 124.227 122.820 -0.096 0.000 1.930 625 A HA 0.148 4.461 4.320 -0.012 0.000 0.217 625 A C 2.377 179.983 177.584 0.036 0.000 1.175 625 A CA 1.206 53.256 52.037 0.021 0.000 0.627 625 A CB -0.829 18.287 19.000 0.194 0.000 0.815 625 A HN 0.573 nan 8.150 nan 0.000 0.443 626 I N -0.205 120.284 120.570 -0.135 0.000 2.163 626 I HA -0.228 3.934 4.170 -0.012 0.000 0.243 626 I C 2.752 178.820 176.117 -0.082 0.000 1.085 626 I CA 1.222 62.419 61.300 -0.172 0.000 1.347 626 I CB -0.697 37.087 38.000 -0.360 0.000 1.044 626 I HN 0.390 nan 8.210 nan 0.000 0.408 627 G N 0.497 109.242 108.800 -0.092 0.000 2.476 627 G HA2 -0.300 3.652 3.960 -0.012 0.000 0.218 627 G HA3 -0.300 3.652 3.960 -0.012 0.000 0.218 627 G C 1.271 176.128 174.900 -0.073 0.000 1.164 627 G CA 1.255 46.303 45.100 -0.086 0.000 0.768 627 G HN 0.295 nan 8.290 nan 0.000 0.560 628 D N -0.048 120.356 120.400 0.006 0.000 2.158 628 D HA -0.097 4.536 4.640 -0.012 0.000 0.197 628 D C 2.716 179.094 176.300 0.129 0.000 0.995 628 D CA 0.851 54.920 54.000 0.115 0.000 0.846 628 D CB -0.342 40.517 40.800 0.099 0.000 0.941 628 D HN 0.246 nan 8.370 nan 0.000 0.456 629 V N 0.166 120.104 119.914 0.040 0.000 2.302 629 V HA -0.148 3.964 4.120 -0.012 0.000 0.243 629 V C 2.592 178.622 176.094 -0.107 0.000 1.036 629 V CA 0.833 63.114 62.300 -0.032 0.000 1.020 629 V CB -0.262 31.534 31.823 -0.044 0.000 0.657 629 V HN 0.036 nan 8.190 nan 0.000 0.453 630 V N 0.810 120.608 119.914 -0.192 0.000 2.307 630 V HA -0.202 3.911 4.120 -0.012 0.000 0.245 630 V C 2.178 178.208 176.094 -0.105 0.000 1.045 630 V CA 2.039 64.222 62.300 -0.195 0.000 1.024 630 V CB -0.869 30.838 31.823 -0.194 0.000 0.651 630 V HN 0.558 nan 8.190 nan 0.000 0.449 631 N N -0.212 118.351 118.700 -0.229 0.000 2.520 631 N HA -0.102 4.631 4.740 -0.012 0.000 0.185 631 N C 1.131 176.360 175.510 -0.468 0.000 1.068 631 N CA 0.998 53.824 53.050 -0.373 0.000 0.911 631 N CB -0.302 37.876 38.487 -0.515 0.000 0.961 631 N HN 0.711 nan 8.380 nan 0.000 0.446 632 H N -1.635 117.446 119.070 0.018 0.000 2.581 632 H HA 0.214 4.763 4.556 -0.012 0.000 0.275 632 H C -0.592 174.755 175.328 0.032 0.000 1.126 632 H CA -0.535 55.524 56.048 0.018 0.000 1.097 632 H CB 0.615 30.379 29.762 0.004 0.000 1.626 632 H HN -0.036 nan 8.280 nan 0.000 0.565 633 D N 1.814 122.286 120.400 0.119 0.000 2.316 633 D HA 0.050 4.683 4.640 -0.012 0.000 0.245 633 D C -1.612 174.745 176.300 0.094 0.000 1.171 633 D CA -2.091 51.992 54.000 0.139 0.000 0.856 633 D CB 1.735 42.691 40.800 0.259 0.000 1.090 633 D HN 0.110 nan 8.370 nan 0.000 0.476 634 P HA -0.104 nan 4.420 nan 0.000 0.218 634 P C 1.550 178.868 177.300 0.031 0.000 1.149 634 P CA 0.326 63.453 63.100 0.044 0.000 0.817 634 P CB 0.466 32.186 31.700 0.034 0.000 0.785 635 V N -0.706 119.227 119.914 0.031 0.000 2.667 635 V HA -0.147 3.966 4.120 -0.012 0.000 0.252 635 V C 2.407 178.501 176.094 0.000 0.000 1.065 635 V CA 1.373 63.677 62.300 0.006 0.000 1.083 635 V CB -0.829 30.987 31.823 -0.012 0.000 0.692 635 V HN -0.025 nan 8.190 nan 0.000 0.468 636 V N -0.260 119.671 119.914 0.029 0.000 2.323 636 V HA 0.130 4.242 4.120 -0.012 0.000 0.244 636 V C 1.733 177.832 176.094 0.007 0.000 1.041 636 V CA 1.608 63.924 62.300 0.027 0.000 1.025 636 V CB -1.155 30.731 31.823 0.104 0.000 0.656 636 V HN 0.725 nan 8.190 nan 0.000 0.451 637 G N 1.480 110.289 108.800 0.015 0.000 2.547 637 G HA2 -0.345 3.607 3.960 -0.012 0.000 0.271 637 G HA3 -0.345 3.607 3.960 -0.012 0.000 0.271 637 G C 0.332 175.232 174.900 -0.001 0.000 1.209 637 G CA 0.358 45.461 45.100 0.005 0.000 0.959 637 G HN 0.632 nan 8.290 nan 0.000 0.563 638 D N 0.562 120.961 120.400 -0.002 0.000 2.319 638 D HA 0.081 4.713 4.640 -0.012 0.000 0.230 638 D C 1.914 178.206 176.300 -0.013 0.000 1.094 638 D CA 0.345 54.346 54.000 0.001 0.000 0.856 638 D CB -0.157 40.652 40.800 0.015 0.000 0.915 638 D HN 0.615 nan 8.370 nan 0.000 0.517 639 R N -0.738 119.743 120.500 -0.033 0.000 2.161 639 R HA 0.193 4.526 4.340 -0.012 0.000 0.213 639 R C 0.093 176.348 176.300 -0.075 0.000 1.055 639 R CA 0.217 56.273 56.100 -0.073 0.000 0.996 639 R CB 0.291 30.528 30.300 -0.104 0.000 0.901 639 R HN 0.113 nan 8.270 nan 0.000 0.456 640 L N 0.709 121.905 121.223 -0.045 0.000 2.505 640 L HA 0.406 4.738 4.340 -0.012 0.000 0.266 640 L C -1.580 175.266 176.870 -0.039 0.000 0.954 640 L CA -0.530 54.282 54.840 -0.046 0.000 0.852 640 L CB 1.826 43.868 42.059 -0.028 0.000 1.282 640 L HN -0.169 nan 8.230 nan 0.000 0.403 641 R N 3.873 124.339 120.500 -0.057 0.000 2.673 641 R HA 0.778 5.111 4.340 -0.012 0.000 0.281 641 R C -1.660 174.588 176.300 -0.087 0.000 0.991 641 R CA -0.805 55.253 56.100 -0.070 0.000 0.896 641 R CB 2.367 32.631 30.300 -0.060 0.000 1.201 641 R HN 0.404 nan 8.270 nan 0.000 0.457 642 V N 4.645 124.503 119.914 -0.093 0.000 2.407 642 V HA 0.461 4.574 4.120 -0.012 0.000 0.291 642 V C -0.281 175.769 176.094 -0.074 0.000 1.018 642 V CA -0.742 61.504 62.300 -0.090 0.000 0.842 642 V CB 1.801 33.567 31.823 -0.095 0.000 0.996 642 V HN 0.487 nan 8.190 nan 0.000 0.426 643 I N 4.731 125.257 120.570 -0.073 0.000 2.465 643 I HA 0.422 4.585 4.170 -0.012 0.000 0.291 643 I C -0.541 175.561 176.117 -0.024 0.000 1.014 643 I CA -0.768 60.501 61.300 -0.052 0.000 1.093 643 I CB 1.770 39.716 38.000 -0.089 0.000 1.267 643 I HN 0.551 nan 8.210 nan 0.000 0.431 644 F N 6.754 126.638 119.950 -0.110 0.000 2.411 644 F HA 0.426 4.946 4.527 -0.012 0.000 0.355 644 F C -0.189 175.546 175.800 -0.109 0.000 1.117 644 F CA -0.424 57.514 58.000 -0.104 0.000 1.139 644 F CB 0.746 39.691 39.000 -0.092 0.000 1.120 644 F HN 0.257 nan 8.300 nan 0.000 0.493 645 L N 6.361 127.239 121.223 -0.575 0.000 2.295 645 L HA 0.227 4.560 4.340 -0.012 0.000 0.288 645 L C 0.303 176.969 176.870 -0.340 0.000 1.079 645 L CA -0.234 54.388 54.840 -0.364 0.000 0.830 645 L CB 0.613 42.525 42.059 -0.246 0.000 1.200 645 L HN 0.639 nan 8.230 nan 0.000 0.438 646 E N 3.820 123.965 120.200 -0.093 0.000 2.373 646 E HA -0.062 4.281 4.350 -0.012 0.000 0.267 646 E C 0.371 177.057 176.600 0.144 0.000 1.032 646 E CA -0.320 56.164 56.400 0.140 0.000 0.889 646 E CB 0.449 30.227 29.700 0.130 0.000 0.984 646 E HN 0.563 nan 8.360 nan 0.000 0.425 647 N N 2.353 121.188 118.700 0.225 0.000 2.738 647 N HA -0.276 4.456 4.740 -0.012 0.000 0.249 647 N C -1.536 174.081 175.510 0.178 0.000 1.047 647 N CA 0.545 53.717 53.050 0.203 0.000 0.707 647 N CB -1.654 36.964 38.487 0.219 0.000 0.937 647 N HN 0.485 nan 8.380 nan 0.000 0.545 648 Y N 1.564 121.881 120.300 0.027 0.000 2.717 648 Y HA 0.183 4.726 4.550 -0.013 0.000 0.330 648 Y C 1.148 177.071 175.900 0.037 0.000 1.217 648 Y CA 0.702 58.804 58.100 0.002 0.000 1.506 648 Y CB 0.320 38.747 38.460 -0.056 0.000 1.268 648 Y HN 0.377 nan 8.280 nan 0.000 0.561 649 R N 2.358 122.529 120.500 -0.549 0.000 2.756 649 R HA 0.402 4.735 4.340 -0.012 0.000 0.273 649 R C -0.755 175.229 176.300 -0.526 0.000 1.030 649 R CA -0.620 55.258 56.100 -0.370 0.000 0.887 649 R CB 0.296 30.562 30.300 -0.057 0.000 1.274 649 R HN 0.357 nan 8.270 nan 0.000 0.461 650 V N 1.076 120.710 119.914 -0.466 0.000 2.343 650 V HA -0.266 3.847 4.120 -0.012 0.000 0.247 650 V C 2.608 178.583 176.094 -0.199 0.000 1.051 650 V CA 2.772 64.842 62.300 -0.383 0.000 1.036 650 V CB -0.665 30.881 31.823 -0.461 0.000 0.654 650 V HN 0.914 nan 8.190 nan 0.000 0.451 651 S N -0.003 115.604 115.700 -0.156 0.000 2.402 651 S HA -0.174 4.289 4.470 -0.012 0.000 0.229 651 S C 1.955 176.511 174.600 -0.073 0.000 1.021 651 S CA 1.633 59.770 58.200 -0.105 0.000 0.974 651 S CB -0.477 62.688 63.200 -0.058 0.000 0.800 651 S HN 0.387 nan 8.310 nan 0.000 0.484 652 L N 2.046 123.235 121.223 -0.056 0.000 2.109 652 L HA 0.293 4.625 4.340 -0.012 0.000 0.207 652 L C 2.727 179.628 176.870 0.052 0.000 1.086 652 L CA 1.494 56.348 54.840 0.023 0.000 0.760 652 L CB -1.351 40.780 42.059 0.120 0.000 0.910 652 L HN 0.369 nan 8.230 nan 0.000 0.437 653 A N -0.638 122.182 122.820 0.000 0.000 1.908 653 A HA -0.264 4.049 4.320 -0.012 0.000 0.218 653 A C 2.135 179.789 177.584 0.117 0.000 1.181 653 A CA 1.977 54.082 52.037 0.114 0.000 0.627 653 A CB -0.663 18.378 19.000 0.067 0.000 0.818 653 A HN 0.613 nan 8.150 nan 0.000 0.445 654 E N -0.568 119.687 120.200 0.091 0.000 2.265 654 E HA -0.151 4.192 4.350 -0.012 0.000 0.196 654 E C 1.866 178.455 176.600 -0.019 0.000 0.996 654 E CA 1.166 57.582 56.400 0.026 0.000 0.832 654 E CB -0.041 29.579 29.700 -0.133 0.000 0.756 654 E HN 0.631 nan 8.360 nan 0.000 0.491 655 K N -0.096 120.283 120.400 -0.034 0.000 2.214 655 K HA 0.043 4.356 4.320 -0.012 0.000 0.201 655 K C 2.091 178.571 176.600 -0.201 0.000 1.049 655 K CA 0.319 56.592 56.287 -0.025 0.000 0.978 655 K CB 0.199 32.707 32.500 0.015 0.000 0.842 655 K HN -0.048 nan 8.250 nan 0.000 0.474 656 V N 1.715 121.425 119.914 -0.340 0.000 2.535 656 V HA -0.105 4.008 4.120 -0.012 0.000 0.246 656 V C 1.875 177.746 176.094 -0.372 0.000 1.045 656 V CA 1.116 62.977 62.300 -0.731 0.000 1.058 656 V CB -0.105 31.401 31.823 -0.529 0.000 0.689 656 V HN 0.211 nan 8.190 nan 0.000 0.461 657 I N 0.837 121.237 120.570 -0.283 0.000 2.163 657 I HA -0.139 4.023 4.170 -0.012 0.000 0.243 657 I C -0.223 175.790 176.117 -0.174 0.000 1.085 657 I CA 1.688 62.742 61.300 -0.410 0.000 1.347 657 I CB -1.571 36.024 38.000 -0.675 0.000 1.044 657 I HN 0.362 nan 8.210 nan 0.000 0.408 658 P HA -0.147 nan 4.420 nan 0.000 0.219 658 P C 1.149 178.456 177.300 0.012 0.000 1.146 658 P CA 1.481 64.568 63.100 -0.021 0.000 0.808 658 P CB -0.018 31.679 31.700 -0.005 0.000 0.779 659 A N -0.938 121.874 122.820 -0.012 0.000 2.169 659 A HA 0.370 4.683 4.320 -0.012 0.000 0.212 659 A C 1.296 178.991 177.584 0.185 0.000 1.153 659 A CA 0.366 52.451 52.037 0.080 0.000 0.756 659 A CB -0.871 18.175 19.000 0.077 0.000 0.813 659 A HN 0.224 nan 8.150 nan 0.000 0.471 660 A N 0.007 122.935 122.820 0.180 0.000 2.388 660 A HA 0.441 4.753 4.320 -0.012 0.000 0.257 660 A C 0.385 178.114 177.584 0.240 0.000 1.095 660 A CA -0.072 52.127 52.037 0.271 0.000 0.791 660 A CB 0.306 19.555 19.000 0.416 0.000 1.029 660 A HN 0.297 nan 8.150 nan 0.000 0.489 661 D N 0.534 121.071 120.400 0.227 0.000 2.338 661 D HA 0.122 4.755 4.640 -0.012 0.000 0.224 661 D C 0.091 176.596 176.300 0.342 0.000 0.967 661 D CA 0.735 54.920 54.000 0.310 0.000 0.896 661 D CB 0.262 41.156 40.800 0.156 0.000 1.028 661 D HN 0.373 nan 8.370 nan 0.000 0.493 662 L N 1.027 122.329 121.223 0.132 0.000 2.356 662 L HA 0.298 4.630 4.340 -0.012 0.000 0.277 662 L C -0.763 175.966 176.870 -0.235 0.000 0.996 662 L CA -0.321 54.515 54.840 -0.007 0.000 0.822 662 L CB 2.125 44.151 42.059 -0.056 0.000 1.256 662 L HN -0.181 nan 8.230 nan 0.000 0.413 663 S N 4.185 119.666 115.700 -0.364 0.000 2.422 663 S HA 0.329 4.792 4.470 -0.012 0.000 0.308 663 S C -0.449 173.878 174.600 -0.454 0.000 1.097 663 S CA -0.686 57.075 58.200 -0.730 0.000 1.099 663 S CB 0.644 63.401 63.200 -0.738 0.000 0.976 663 S HN 0.542 nan 8.310 nan 0.000 0.471 664 E N 4.057 123.999 120.200 -0.430 0.000 2.089 664 E HA 0.221 4.564 4.350 -0.012 0.000 0.284 664 E C -0.565 175.922 176.600 -0.188 0.000 1.023 664 E CA -0.421 55.848 56.400 -0.218 0.000 0.819 664 E CB 1.041 30.641 29.700 -0.167 0.000 1.076 664 E HN 0.598 nan 8.360 nan 0.000 0.396 665 Q N 2.845 122.588 119.800 -0.095 0.000 3.064 665 Q HA 0.268 4.601 4.340 -0.012 0.000 0.258 665 Q C 0.563 176.547 176.000 -0.026 0.000 0.972 665 Q CA -0.110 55.653 55.803 -0.068 0.000 0.761 665 Q CB 0.291 29.002 28.738 -0.045 0.000 1.281 665 Q HN 0.624 nan 8.270 nan 0.000 0.455 666 I N -1.802 118.738 120.570 -0.050 0.000 3.707 666 I HA 0.272 4.434 4.170 -0.012 0.000 0.330 666 I C 0.436 176.504 176.117 -0.081 0.000 1.572 666 I CA -0.696 60.585 61.300 -0.032 0.000 1.104 666 I CB 0.570 38.555 38.000 -0.025 0.000 1.240 666 I HN 0.020 nan 8.210 nan 0.000 0.475 667 S N 0.596 116.251 115.700 -0.075 0.000 2.563 667 S HA 0.129 4.592 4.470 -0.012 0.000 0.284 667 S C 0.594 175.185 174.600 -0.015 0.000 1.331 667 S CA -0.190 57.990 58.200 -0.032 0.000 1.047 667 S CB 0.133 63.365 63.200 0.055 0.000 0.859 667 S HN 0.396 nan 8.310 nan 0.000 0.514 668 T N 3.096 117.676 114.554 0.043 0.000 2.871 668 T HA 0.345 4.687 4.350 -0.012 0.000 0.296 668 T C 0.798 175.517 174.700 0.031 0.000 0.998 668 T CA 0.321 62.452 62.100 0.053 0.000 1.162 668 T CB -0.139 68.834 68.868 0.174 0.000 0.947 668 T HN 1.044 nan 8.240 nan 0.000 0.536 669 A N 2.818 125.623 122.820 -0.026 0.000 2.567 669 A HA 0.456 4.769 4.320 -0.012 0.000 0.240 669 A C 1.652 179.232 177.584 -0.007 0.000 1.053 669 A CA 0.270 52.286 52.037 -0.034 0.000 0.755 669 A CB -0.838 18.128 19.000 -0.057 0.000 0.978 669 A HN 1.752 nan 8.150 nan 0.000 0.507 670 G N 1.272 110.067 108.800 -0.008 0.000 2.176 670 G HA2 -0.237 3.715 3.960 -0.012 0.000 0.232 670 G HA3 -0.237 3.715 3.960 -0.012 0.000 0.232 670 G C 0.857 175.748 174.900 -0.013 0.000 0.986 670 G CA 1.128 46.224 45.100 -0.006 0.000 0.643 670 G HN 2.003 nan 8.290 nan 0.000 0.522 671 T N -2.515 112.031 114.554 -0.012 0.000 2.999 671 T HA 0.414 4.757 4.350 -0.012 0.000 0.247 671 T C 0.727 175.277 174.700 -0.250 0.000 1.012 671 T CA 1.030 63.064 62.100 -0.111 0.000 1.048 671 T CB 0.570 69.445 68.868 0.012 0.000 1.020 671 T HN 0.262 nan 8.240 nan 0.000 0.478 672 E N 1.629 121.815 120.200 -0.024 0.000 2.052 672 E HA 0.658 5.001 4.350 -0.012 0.000 0.283 672 E C 1.208 177.750 176.600 -0.095 0.000 1.071 672 E CA 0.117 56.534 56.400 0.027 0.000 0.851 672 E CB 0.737 30.514 29.700 0.128 0.000 1.066 672 E HN 0.363 nan 8.360 nan 0.000 0.396 673 A N 3.459 126.139 122.820 -0.234 0.000 1.869 673 A HA -0.263 4.049 4.320 -0.012 0.000 0.218 673 A C 2.033 179.483 177.584 -0.224 0.000 1.203 673 A CA 2.441 54.194 52.037 -0.472 0.000 0.638 673 A CB -0.442 18.052 19.000 -0.842 0.000 0.831 673 A HN 0.607 nan 8.150 nan 0.000 0.450 674 S N -3.747 111.883 115.700 -0.117 0.000 3.472 674 S HA 0.453 4.915 4.470 -0.012 0.000 0.247 674 S C 0.752 175.339 174.600 -0.022 0.000 1.084 674 S CA 1.448 59.629 58.200 -0.031 0.000 0.795 674 S CB -0.079 63.129 63.200 0.014 0.000 0.892 674 S HN 2.310 nan 8.310 nan 0.000 0.513 675 G N 0.360 109.151 108.800 -0.015 0.000 2.722 675 G HA2 -0.082 3.871 3.960 -0.012 0.000 0.686 675 G HA3 -0.082 3.871 3.960 -0.012 0.000 0.686 675 G C 0.250 175.128 174.900 -0.036 0.000 1.282 675 G CA 0.431 45.520 45.100 -0.019 0.000 0.817 675 G HN 1.246 nan 8.290 nan 0.000 0.605 676 T N -1.827 112.692 114.554 -0.058 0.000 3.010 676 T HA 0.371 4.714 4.350 -0.012 0.000 0.253 676 T C 2.417 177.016 174.700 -0.169 0.000 0.939 676 T CA 1.255 63.293 62.100 -0.104 0.000 0.910 676 T CB 0.220 69.020 68.868 -0.114 0.000 1.226 676 T HN 1.919 nan 8.240 nan 0.000 0.508 677 G N 3.162 111.887 108.800 -0.126 0.000 2.469 677 G HA2 -0.299 3.654 3.960 -0.012 0.000 0.220 677 G HA3 -0.299 3.654 3.960 -0.012 0.000 0.220 677 G C 1.460 176.409 174.900 0.082 0.000 1.136 677 G CA 1.252 46.302 45.100 -0.083 0.000 0.759 677 G HN 0.845 nan 8.290 nan 0.000 0.562 678 N N -0.244 118.481 118.700 0.042 0.000 2.104 678 N HA -0.077 4.655 4.740 -0.012 0.000 0.190 678 N C 1.442 176.950 175.510 -0.003 0.000 1.024 678 N CA 0.552 53.627 53.050 0.043 0.000 0.853 678 N CB -0.281 38.191 38.487 -0.026 0.000 1.008 678 N HN 0.336 nan 8.380 nan 0.000 0.424 682 M N 0.199 119.883 119.600 0.141 0.000 2.117 682 M HA -0.157 4.316 4.480 -0.012 0.000 0.262 682 M C 1.996 178.351 176.300 0.092 0.000 1.065 682 M CA 1.762 57.118 55.300 0.095 0.000 1.114 682 M CB -0.086 32.559 32.600 0.075 0.000 1.361 682 M HN 0.301 nan 8.290 nan 0.000 0.408 683 L N 0.765 122.037 121.223 0.083 0.000 2.201 683 L HA -0.106 4.226 4.340 -0.012 0.000 0.212 683 L C 1.387 178.305 176.870 0.079 0.000 1.105 683 L CA 1.697 56.593 54.840 0.093 0.000 0.775 683 L CB -0.731 41.390 42.059 0.103 0.000 0.913 683 L HN 0.355 nan 8.230 nan 0.000 0.440 684 N N -0.454 118.284 118.700 0.063 0.000 2.235 684 N HA 0.165 4.897 4.740 -0.012 0.000 0.209 684 N C 0.831 176.383 175.510 0.070 0.000 1.122 684 N CA 0.791 53.874 53.050 0.054 0.000 0.845 684 N CB 0.594 39.090 38.487 0.015 0.000 1.004 684 N HN 0.403 nan 8.380 nan 0.000 0.499 685 G N 0.491 109.339 108.800 0.080 0.000 2.140 685 G HA2 -0.183 3.769 3.960 -0.012 0.000 0.211 685 G HA3 -0.183 3.769 3.960 -0.012 0.000 0.211 685 G C -0.024 174.952 174.900 0.127 0.000 1.013 685 G CA 0.087 45.235 45.100 0.080 0.000 0.705 685 G HN 0.507 nan 8.290 nan 0.000 0.508 686 A N -0.272 122.633 122.820 0.142 0.000 2.306 686 A HA 0.890 5.203 4.320 -0.012 0.000 0.330 686 A C 0.413 178.015 177.584 0.029 0.000 1.146 686 A CA -0.624 51.511 52.037 0.164 0.000 0.827 686 A CB 0.995 20.141 19.000 0.243 0.000 1.178 686 A HN 0.719 nan 8.150 nan 0.000 0.490 687 L N 0.709 121.912 121.223 -0.034 0.000 2.421 687 L HA 0.453 4.785 4.340 -0.012 0.000 0.263 687 L C 0.132 176.889 176.870 -0.187 0.000 1.122 687 L CA -0.365 54.365 54.840 -0.183 0.000 0.804 687 L CB 1.503 43.353 42.059 -0.348 0.000 1.150 687 L HN 0.678 nan 8.230 nan 0.000 0.457 688 T N 2.775 117.112 114.554 -0.362 0.000 2.770 688 T HA 0.436 4.779 4.350 -0.012 0.000 0.283 688 T C -0.352 174.110 174.700 -0.396 0.000 0.988 688 T CA -0.244 61.552 62.100 -0.507 0.000 0.957 688 T CB 1.378 69.718 68.868 -0.879 0.000 0.930 688 T HN 0.351 nan 8.240 nan 0.000 0.443 689 I N 3.291 123.762 120.570 -0.166 0.000 2.312 689 I HA 0.696 4.858 4.170 -0.012 0.000 0.290 689 I C 0.180 176.401 176.117 0.173 0.000 1.008 689 I CA 0.115 61.450 61.300 0.058 0.000 1.226 689 I CB 0.187 38.186 38.000 -0.001 0.000 1.371 689 I HN 0.770 nan 8.210 nan 0.000 0.468 690 G N 4.035 113.015 108.800 0.300 0.000 2.649 690 G HA2 0.484 4.436 3.960 -0.012 0.000 0.290 690 G HA3 0.484 4.436 3.960 -0.012 0.000 0.290 690 G C -0.941 173.900 174.900 -0.099 0.000 1.426 690 G CA -0.462 44.750 45.100 0.186 0.000 0.794 690 G HN 0.554 nan 8.290 nan 0.000 0.483 691 T N -1.414 112.962 114.554 -0.295 0.000 2.902 691 T HA 0.505 4.848 4.350 -0.012 0.000 0.280 691 T C 0.684 175.284 174.700 -0.167 0.000 0.992 691 T CA -0.729 61.119 62.100 -0.421 0.000 1.015 691 T CB 1.197 69.826 68.868 -0.398 0.000 1.044 691 T HN 0.248 nan 8.240 nan 0.000 0.520 692 M N 3.053 122.559 119.600 -0.157 0.000 3.254 692 M HA 0.322 4.794 4.480 -0.012 0.000 0.257 692 M C -0.408 175.841 176.300 -0.085 0.000 1.490 692 M CA 0.060 55.296 55.300 -0.106 0.000 1.620 692 M CB -1.915 30.627 32.600 -0.095 0.000 1.157 692 M HN 0.755 nan 8.290 nan 0.000 0.541 693 D N 0.062 120.421 120.400 -0.069 0.000 2.756 693 D HA 0.664 5.296 4.640 -0.012 0.000 0.226 693 D C 0.643 176.924 176.300 -0.031 0.000 1.186 693 D CA 0.766 54.739 54.000 -0.044 0.000 0.845 693 D CB 1.657 42.434 40.800 -0.039 0.000 1.610 693 D HN 0.597 nan 8.370 nan 0.000 0.465 694 G N 1.617 110.407 108.800 -0.017 0.000 2.627 694 G HA2 -0.242 3.710 3.960 -0.012 0.000 0.312 694 G HA3 -0.242 3.710 3.960 -0.012 0.000 0.312 694 G C 1.074 175.967 174.900 -0.011 0.000 1.299 694 G CA 1.246 46.339 45.100 -0.012 0.000 0.989 694 G HN 1.109 nan 8.290 nan 0.000 0.547 695 A N -0.517 122.291 122.820 -0.021 0.000 2.119 695 A HA 0.074 4.387 4.320 -0.012 0.000 0.216 695 A C 2.141 179.661 177.584 -0.106 0.000 1.152 695 A CA 1.854 53.871 52.037 -0.033 0.000 0.708 695 A CB -0.476 18.488 19.000 -0.060 0.000 0.805 695 A HN 0.674 nan 8.150 nan 0.000 0.460 696 N N 0.670 119.318 118.700 -0.087 0.000 2.133 696 N HA -0.182 4.550 4.740 -0.012 0.000 0.193 696 N C 1.558 176.917 175.510 -0.251 0.000 1.012 696 N CA 1.721 54.714 53.050 -0.095 0.000 0.871 696 N CB -0.714 37.780 38.487 0.011 0.000 1.011 696 N HN 0.310 nan 8.380 nan 0.000 0.435 697 V N 1.012 120.832 119.914 -0.156 0.000 2.343 697 V HA -0.196 3.917 4.120 -0.012 0.000 0.247 697 V C 1.950 177.964 176.094 -0.134 0.000 1.051 697 V CA 1.672 63.879 62.300 -0.156 0.000 1.036 697 V CB -0.463 31.311 31.823 -0.082 0.000 0.654 697 V HN 0.355 nan 8.190 nan 0.000 0.451 698 E N -0.642 119.538 120.200 -0.033 0.000 2.230 698 E HA -0.073 4.270 4.350 -0.012 0.000 0.192 698 E C 2.209 178.935 176.600 0.210 0.000 0.987 698 E CA 0.811 57.277 56.400 0.109 0.000 0.841 698 E CB -0.142 29.711 29.700 0.255 0.000 0.783 698 E HN 0.542 nan 8.360 nan 0.000 0.481 699 M N 0.553 120.159 119.600 0.009 0.000 2.067 699 M HA -0.137 4.336 4.480 -0.012 0.000 0.260 699 M C 2.530 178.689 176.300 -0.236 0.000 1.069 699 M CA 1.609 56.865 55.300 -0.073 0.000 1.117 699 M CB -0.240 32.210 32.600 -0.250 0.000 1.334 699 M HN 0.136 nan 8.290 nan 0.000 0.407 700 A N -0.098 122.277 122.820 -0.741 0.000 1.933 700 A HA -0.225 4.087 4.320 -0.012 0.000 0.218 700 A C 2.001 179.419 177.584 -0.276 0.000 1.175 700 A CA 1.999 53.572 52.037 -0.772 0.000 0.628 700 A CB -0.852 17.579 19.000 -0.948 0.000 0.814 700 A HN 0.599 nan 8.150 nan 0.000 0.444 701 E N -0.400 119.692 120.200 -0.181 0.000 2.077 701 E HA -0.222 4.120 4.350 -0.012 0.000 0.193 701 E C 1.804 178.387 176.600 -0.029 0.000 0.989 701 E CA 1.323 57.675 56.400 -0.080 0.000 0.800 701 E CB -0.079 29.592 29.700 -0.049 0.000 0.746 701 E HN 0.571 nan 8.360 nan 0.000 0.452 702 E N 0.023 120.237 120.200 0.024 0.000 2.072 702 E HA -0.124 4.218 4.350 -0.012 0.000 0.191 702 E C 1.852 178.480 176.600 0.048 0.000 0.985 702 E CA 1.102 57.532 56.400 0.050 0.000 0.801 702 E CB -0.163 29.616 29.700 0.132 0.000 0.750 702 E HN 0.355 nan 8.360 nan 0.000 0.452 703 A N 0.477 123.333 122.820 0.060 0.000 2.072 703 A HA 0.323 4.635 4.320 -0.012 0.000 0.216 703 A C 1.076 178.677 177.584 0.028 0.000 1.156 703 A CA 1.074 53.154 52.037 0.071 0.000 0.701 703 A CB -0.092 18.995 19.000 0.145 0.000 0.816 703 A HN 0.255 nan 8.150 nan 0.000 0.458 704 G N -0.502 108.294 108.800 -0.007 0.000 2.895 704 G HA2 -0.121 3.831 3.960 -0.012 0.000 0.686 704 G HA3 -0.121 3.831 3.960 -0.012 0.000 0.686 704 G C 0.025 174.908 174.900 -0.027 0.000 1.108 704 G CA -0.006 45.080 45.100 -0.023 0.000 0.761 704 G HN 0.286 nan 8.290 nan 0.000 0.611 705 E N 1.154 121.326 120.200 -0.046 0.000 2.204 705 E HA -0.154 4.189 4.350 -0.012 0.000 0.195 705 E C 2.028 178.611 176.600 -0.029 0.000 0.990 705 E CA 1.714 58.092 56.400 -0.037 0.000 0.821 705 E CB 0.065 29.739 29.700 -0.044 0.000 0.750 705 E HN 0.777 nan 8.360 nan 0.000 0.477 706 E N 0.888 121.058 120.200 -0.050 0.000 2.338 706 E HA -0.096 4.247 4.350 -0.012 0.000 0.197 706 E C 0.968 177.479 176.600 -0.150 0.000 1.007 706 E CA 0.643 56.989 56.400 -0.090 0.000 0.849 706 E CB -0.054 29.607 29.700 -0.065 0.000 0.774 706 E HN 0.150 nan 8.360 nan 0.000 0.506 707 N N -0.388 118.256 118.700 -0.093 0.000 2.238 707 N HA 0.160 4.892 4.740 -0.012 0.000 0.222 707 N C -1.027 174.428 175.510 -0.090 0.000 1.133 707 N CA 0.044 53.022 53.050 -0.120 0.000 0.854 707 N CB 0.405 38.868 38.487 -0.040 0.000 1.041 707 N HN 0.055 nan 8.380 nan 0.000 0.510 708 F N -0.277 119.476 119.950 -0.328 0.000 2.591 708 F HA 0.392 4.911 4.527 -0.013 0.000 0.309 708 F C -1.053 174.551 175.800 -0.326 0.000 1.098 708 F CA -1.073 56.789 58.000 -0.231 0.000 0.937 708 F CB 1.330 40.268 39.000 -0.104 0.000 1.250 708 F HN -0.217 nan 8.300 nan 0.000 0.447 709 F N 6.105 126.028 119.950 -0.046 0.000 2.425 709 F HA 0.423 4.943 4.527 -0.012 0.000 0.354 709 F C -0.107 175.825 175.800 0.220 0.000 1.162 709 F CA -0.361 57.673 58.000 0.056 0.000 1.250 709 F CB 0.023 39.003 39.000 -0.033 0.000 1.579 709 F HN 0.091 nan 8.300 nan 0.000 0.589 710 I N 4.167 124.957 120.570 0.368 0.000 2.395 710 I HA 0.312 4.475 4.170 -0.012 0.000 0.289 710 I C -0.216 176.088 176.117 0.313 0.000 1.023 710 I CA -0.505 60.979 61.300 0.307 0.000 1.350 710 I CB 0.599 38.705 38.000 0.176 0.000 1.409 710 I HN 0.346 nan 8.210 nan 0.000 0.507 711 F N 4.029 124.057 119.950 0.130 0.000 2.664 711 F HA 0.950 5.469 4.527 -0.013 0.000 0.317 711 F C 0.099 175.944 175.800 0.075 0.000 1.108 711 F CA -0.628 57.433 58.000 0.101 0.000 0.957 711 F CB 1.012 40.084 39.000 0.120 0.000 1.365 711 F HN 0.754 nan 8.300 nan 0.000 0.475 712 G N 1.054 109.932 108.800 0.131 0.000 2.728 712 G HA2 -0.087 3.866 3.960 -0.012 0.000 0.294 712 G HA3 -0.087 3.866 3.960 -0.012 0.000 0.294 712 G C -0.942 173.938 174.900 -0.035 0.000 1.342 712 G CA -0.618 44.504 45.100 0.037 0.000 0.866 712 G HN 0.941 nan 8.290 nan 0.000 0.534 713 M N 0.878 120.462 119.600 -0.026 0.000 2.245 713 M HA 0.271 4.744 4.480 -0.012 0.000 0.344 713 M C 1.193 177.459 176.300 -0.057 0.000 1.170 713 M CA -0.037 55.252 55.300 -0.017 0.000 1.135 713 M CB 0.412 33.008 32.600 -0.006 0.000 1.574 713 M HN 0.521 nan 8.290 nan 0.000 0.452 714 R N 1.601 122.080 120.500 -0.035 0.000 2.549 714 R HA 0.284 4.617 4.340 -0.012 0.000 0.259 714 R C 1.210 177.490 176.300 -0.033 0.000 1.095 714 R CA -0.548 55.526 56.100 -0.043 0.000 1.148 714 R CB 0.037 30.318 30.300 -0.032 0.000 1.181 714 R HN 0.564 nan 8.270 nan 0.000 0.571 715 V N 1.532 121.426 119.914 -0.034 0.000 2.324 715 V HA -0.290 3.822 4.120 -0.012 0.000 0.250 715 V C 1.892 177.974 176.094 -0.021 0.000 1.060 715 V CA 2.123 64.407 62.300 -0.028 0.000 1.042 715 V CB -0.500 31.306 31.823 -0.029 0.000 0.650 715 V HN 0.643 nan 8.190 nan 0.000 0.450 716 E N 0.150 120.339 120.200 -0.017 0.000 2.110 716 E HA -0.183 4.160 4.350 -0.012 0.000 0.193 716 E C 1.937 178.538 176.600 0.001 0.000 0.988 716 E CA 1.402 57.797 56.400 -0.009 0.000 0.804 716 E CB -0.358 29.337 29.700 -0.008 0.000 0.745 716 E HN 0.641 nan 8.360 nan 0.000 0.458 717 D N -0.062 120.340 120.400 0.005 0.000 2.144 717 D HA -0.091 4.541 4.640 -0.012 0.000 0.200 717 D C 1.976 178.287 176.300 0.019 0.000 0.978 717 D CA 0.765 54.778 54.000 0.021 0.000 0.833 717 D CB -0.116 40.701 40.800 0.028 0.000 0.961 717 D HN 0.070 nan 8.370 nan 0.000 0.470 718 V N 1.853 121.766 119.914 -0.002 0.000 2.343 718 V HA -0.209 3.904 4.120 -0.012 0.000 0.247 718 V C 1.967 178.055 176.094 -0.010 0.000 1.051 718 V CA 1.655 63.944 62.300 -0.018 0.000 1.036 718 V CB -0.401 31.402 31.823 -0.034 0.000 0.654 718 V HN 0.021 nan 8.190 nan 0.000 0.451 719 D N 0.010 120.406 120.400 -0.007 0.000 2.097 719 D HA -0.156 4.476 4.640 -0.012 0.000 0.195 719 D C 2.406 178.713 176.300 0.011 0.000 0.989 719 D CA 1.300 55.298 54.000 -0.004 0.000 0.827 719 D CB -0.289 40.506 40.800 -0.008 0.000 0.966 719 D HN 0.329 nan 8.370 nan 0.000 0.456 720 R N 0.122 120.634 120.500 0.020 0.000 2.103 720 R HA -0.085 4.248 4.340 -0.012 0.000 0.242 720 R C 2.502 178.833 176.300 0.051 0.000 1.142 720 R CA 0.705 56.825 56.100 0.033 0.000 0.960 720 R CB -0.424 29.899 30.300 0.037 0.000 0.858 720 R HN 0.208 nan 8.270 nan 0.000 0.439 721 L N 0.469 121.730 121.223 0.064 0.000 2.093 721 L HA -0.189 4.144 4.340 -0.012 0.000 0.208 721 L C 1.466 178.395 176.870 0.097 0.000 1.085 721 L CA 1.283 56.186 54.840 0.106 0.000 0.755 721 L CB -0.255 41.880 42.059 0.127 0.000 0.904 721 L HN 0.233 nan 8.230 nan 0.000 0.435 722 D N -0.460 119.971 120.400 0.052 0.000 2.144 722 D HA -0.211 4.422 4.640 -0.012 0.000 0.199 722 D C 2.196 178.521 176.300 0.042 0.000 0.984 722 D CA 1.083 55.106 54.000 0.039 0.000 0.834 722 D CB 0.027 40.829 40.800 0.004 0.000 0.955 722 D HN 0.438 nan 8.370 nan 0.000 0.465 723 Q N -0.103 119.719 119.800 0.036 0.000 2.119 723 Q HA -0.046 4.287 4.340 -0.012 0.000 0.201 723 Q C 2.217 178.241 176.000 0.039 0.000 0.972 723 Q CA 0.754 56.575 55.803 0.031 0.000 0.847 723 Q CB 0.127 28.880 28.738 0.025 0.000 0.903 723 Q HN 0.148 nan 8.270 nan 0.000 0.433 724 R N -0.604 119.928 120.500 0.053 0.000 2.093 724 R HA 0.032 4.365 4.340 -0.012 0.000 0.224 724 R C 0.027 176.363 176.300 0.061 0.000 1.101 724 R CA 0.804 56.937 56.100 0.055 0.000 0.979 724 R CB 0.384 30.725 30.300 0.068 0.000 0.877 724 R HN 0.276 nan 8.270 nan 0.000 0.441 725 G N -0.027 108.823 108.800 0.084 0.000 3.444 725 G HA2 -0.250 3.703 3.960 -0.012 0.000 0.685 725 G HA3 -0.250 3.703 3.960 -0.012 0.000 0.685 725 G C -1.367 173.623 174.900 0.149 0.000 1.145 725 G CA -0.620 44.537 45.100 0.094 0.000 0.973 725 G HN 0.249 nan 8.290 nan 0.000 0.525 726 Y N 3.203 123.529 120.300 0.043 0.000 2.480 726 Y HA 0.567 5.109 4.550 -0.012 0.000 0.341 726 Y C 0.309 176.253 175.900 0.074 0.000 1.031 726 Y CA -1.125 57.019 58.100 0.073 0.000 1.295 726 Y CB 1.061 39.546 38.460 0.041 0.000 1.162 726 Y HN 0.612 nan 8.280 nan 0.000 0.523 727 N N 4.893 123.398 118.700 -0.325 0.000 2.621 727 N HA 0.347 5.080 4.740 -0.012 0.000 0.237 727 N C 0.331 175.605 175.510 -0.394 0.000 0.997 727 N CA 0.254 53.111 53.050 -0.321 0.000 0.918 727 N CB 1.107 39.523 38.487 -0.118 0.000 1.122 727 N HN 0.756 nan 8.380 nan 0.000 0.510 728 A N 2.799 125.275 122.820 -0.573 0.000 2.019 728 A HA -0.193 4.120 4.320 -0.012 0.000 0.219 728 A C 1.900 179.602 177.584 0.196 0.000 1.164 728 A CA 1.427 53.350 52.037 -0.191 0.000 0.644 728 A CB -0.458 18.333 19.000 -0.348 0.000 0.805 728 A HN 0.721 nan 8.150 nan 0.000 0.449 729 Q N 0.253 120.061 119.800 0.013 0.000 2.112 729 Q HA -0.239 4.093 4.340 -0.012 0.000 0.206 729 Q C 1.900 177.973 176.000 0.121 0.000 0.987 729 Q CA 2.321 58.159 55.803 0.057 0.000 0.858 729 Q CB -0.361 28.363 28.738 -0.023 0.000 0.905 729 Q HN 0.764 nan 8.270 nan 0.000 0.420 730 E N -1.412 118.801 120.200 0.023 0.000 2.097 730 E HA -0.247 4.095 4.350 -0.012 0.000 0.196 730 E C 1.587 178.117 176.600 -0.118 0.000 1.000 730 E CA 1.529 57.872 56.400 -0.094 0.000 0.804 730 E CB -0.201 29.355 29.700 -0.240 0.000 0.740 730 E HN 0.584 nan 8.360 nan 0.000 0.454 731 Y N -1.232 119.136 120.300 0.112 0.000 2.220 731 Y HA -0.203 4.340 4.550 -0.012 0.000 0.291 731 Y C 2.189 178.088 175.900 -0.002 0.000 1.129 731 Y CA 1.509 59.665 58.100 0.093 0.000 1.161 731 Y CB -0.611 37.966 38.460 0.194 0.000 0.997 731 Y HN 0.222 nan 8.280 nan 0.000 0.522 732 Y N 1.276 121.604 120.300 0.047 0.000 2.224 732 Y HA -0.260 4.282 4.550 -0.012 0.000 0.289 732 Y C 1.786 177.651 175.900 -0.058 0.000 1.146 732 Y CA 1.794 59.845 58.100 -0.082 0.000 1.182 732 Y CB -0.358 38.103 38.460 0.002 0.000 0.983 732 Y HN 0.080 nan 8.280 nan 0.000 0.524 733 D N -0.361 120.122 120.400 0.139 0.000 2.224 733 D HA -0.079 4.553 4.640 -0.012 0.000 0.205 733 D C 1.741 178.012 176.300 -0.048 0.000 0.965 733 D CA 1.115 55.143 54.000 0.046 0.000 0.852 733 D CB -0.049 40.796 40.800 0.075 0.000 0.947 733 D HN 0.480 nan 8.370 nan 0.000 0.494 734 R N -0.353 120.117 120.500 -0.050 0.000 2.365 734 R HA 0.301 4.634 4.340 -0.012 0.000 0.223 734 R C 0.283 176.558 176.300 -0.041 0.000 0.899 734 R CA 0.042 56.113 56.100 -0.047 0.000 1.059 734 R CB 1.336 31.606 30.300 -0.050 0.000 1.086 734 R HN 0.116 nan 8.270 nan 0.000 0.522 735 I N 1.940 122.467 120.570 -0.073 0.000 2.464 735 I HA 0.238 4.401 4.170 -0.012 0.000 0.277 735 I C -2.012 174.011 176.117 -0.157 0.000 1.040 735 I CA -2.279 58.984 61.300 -0.062 0.000 1.153 735 I CB 2.120 40.121 38.000 0.002 0.000 1.274 735 I HN -0.298 nan 8.210 nan 0.000 0.469 736 P HA -0.167 nan 4.420 nan 0.000 0.215 736 P C 1.231 178.436 177.300 -0.158 0.000 1.153 736 P CA 1.376 64.383 63.100 -0.155 0.000 0.853 736 P CB 0.313 31.956 31.700 -0.096 0.000 0.788 737 E N -1.035 119.109 120.200 -0.094 0.000 2.110 737 E HA -0.175 4.168 4.350 -0.012 0.000 0.193 737 E C 1.842 178.347 176.600 -0.158 0.000 0.988 737 E CA 0.727 57.087 56.400 -0.067 0.000 0.804 737 E CB -0.562 29.166 29.700 0.045 0.000 0.745 737 E HN 0.121 nan 8.360 nan 0.000 0.458 738 L N 1.137 122.182 121.223 -0.297 0.000 2.109 738 L HA -0.111 4.222 4.340 -0.012 0.000 0.207 738 L C 2.349 178.955 176.870 -0.441 0.000 1.086 738 L CA 1.550 56.055 54.840 -0.557 0.000 0.760 738 L CB -0.283 41.287 42.059 -0.815 0.000 0.910 738 L HN -0.089 nan 8.230 nan 0.000 0.437 739 R N -0.793 119.422 120.500 -0.475 0.000 2.091 739 R HA -0.242 4.091 4.340 -0.012 0.000 0.238 739 R C 2.366 178.502 176.300 -0.273 0.000 1.136 739 R CA 1.989 57.727 56.100 -0.604 0.000 0.959 739 R CB -0.357 29.510 30.300 -0.722 0.000 0.856 739 R HN 0.612 nan 8.270 nan 0.000 0.437 740 Q N 0.484 120.160 119.800 -0.207 0.000 2.050 740 Q HA -0.181 4.151 4.340 -0.012 0.000 0.202 740 Q C 2.119 178.065 176.000 -0.089 0.000 0.980 740 Q CA 1.961 57.687 55.803 -0.130 0.000 0.840 740 Q CB -0.111 28.551 28.738 -0.127 0.000 0.898 740 Q HN 0.479 nan 8.270 nan 0.000 0.424 741 I N 0.683 121.197 120.570 -0.092 0.000 2.127 741 I HA -0.303 3.859 4.170 -0.012 0.000 0.241 741 I C 2.199 178.340 176.117 0.039 0.000 1.075 741 I CA 0.778 62.063 61.300 -0.026 0.000 1.334 741 I CB -0.355 37.601 38.000 -0.073 0.000 1.040 741 I HN 0.317 nan 8.210 nan 0.000 0.405 742 I N 0.822 121.414 120.570 0.037 0.000 2.286 742 I HA -0.255 3.908 4.170 -0.012 0.000 0.248 742 I C 2.467 178.688 176.117 0.173 0.000 1.115 742 I CA 1.693 63.087 61.300 0.155 0.000 1.392 742 I CB -1.247 36.933 38.000 0.301 0.000 1.065 742 I HN 0.350 nan 8.210 nan 0.000 0.418 743 E N 0.188 120.470 120.200 0.137 0.000 2.072 743 E HA -0.223 4.119 4.350 -0.012 0.000 0.191 743 E C 2.179 178.845 176.600 0.109 0.000 0.985 743 E CA 0.845 57.317 56.400 0.121 0.000 0.801 743 E CB -0.089 29.655 29.700 0.074 0.000 0.750 743 E HN 0.558 nan 8.360 nan 0.000 0.452 744 Q N 0.499 120.342 119.800 0.072 0.000 2.061 744 Q HA -0.165 4.167 4.340 -0.012 0.000 0.204 744 Q C 2.354 178.534 176.000 0.300 0.000 0.984 744 Q CA 1.132 56.985 55.803 0.083 0.000 0.846 744 Q CB -0.091 28.599 28.738 -0.080 0.000 0.902 744 Q HN 0.298 nan 8.270 nan 0.000 0.421 745 L N -0.037 121.380 121.223 0.323 0.000 2.017 745 L HA -0.209 4.124 4.340 -0.012 0.000 0.208 745 L C 2.450 179.510 176.870 0.317 0.000 1.073 745 L CA 1.107 56.157 54.840 0.350 0.000 0.745 745 L CB -0.369 41.808 42.059 0.195 0.000 0.894 745 L HN 0.158 nan 8.230 nan 0.000 0.432 746 S N -0.444 115.396 115.700 0.234 0.000 2.383 746 S HA -0.141 4.321 4.470 -0.012 0.000 0.227 746 S C 2.044 176.751 174.600 0.178 0.000 1.026 746 S CA 1.470 59.787 58.200 0.195 0.000 0.981 746 S CB -0.205 63.089 63.200 0.157 0.000 0.818 746 S HN 0.607 nan 8.310 nan 0.000 0.472 747 S N 0.291 116.098 115.700 0.178 0.000 2.528 747 S HA 0.379 4.842 4.470 -0.012 0.000 0.219 747 S C 1.362 176.054 174.600 0.153 0.000 0.985 747 S CA 0.558 58.847 58.200 0.147 0.000 0.914 747 S CB 0.103 63.382 63.200 0.132 0.000 0.776 747 S HN 0.804 nan 8.310 nan 0.000 0.526 748 G N 0.709 109.633 108.800 0.205 0.000 2.141 748 G HA2 -0.257 3.696 3.960 -0.012 0.000 0.195 748 G HA3 -0.257 3.696 3.960 -0.012 0.000 0.195 748 G C 0.114 175.105 174.900 0.152 0.000 1.012 748 G CA 0.064 45.273 45.100 0.182 0.000 0.696 748 G HN 0.483 nan 8.290 nan 0.000 0.508 749 F N 0.133 120.088 119.950 0.008 0.000 2.216 749 F HA 0.246 4.766 4.527 -0.012 0.000 0.300 749 F C 1.849 177.442 175.800 -0.344 0.000 1.085 749 F CA 1.752 59.624 58.000 -0.212 0.000 1.326 749 F CB 0.000 38.782 39.000 -0.364 0.000 1.027 749 F HN 0.176 nan 8.300 nan 0.000 0.497 750 F N -0.425 119.676 119.950 0.252 0.000 2.695 750 F HA 0.208 4.727 4.527 -0.012 0.000 0.303 750 F C 0.653 176.571 175.800 0.197 0.000 1.091 750 F CA 0.233 58.341 58.000 0.179 0.000 1.300 750 F CB -0.059 39.053 39.000 0.186 0.000 1.071 750 F HN -0.028 nan 8.300 nan 0.000 0.578 751 S N -1.888 113.966 115.700 0.256 0.000 2.564 751 S HA 0.308 4.770 4.470 -0.012 0.000 0.141 751 S C -2.464 172.160 174.600 0.040 0.000 1.474 751 S CA -0.974 57.301 58.200 0.126 0.000 1.236 751 S CB 0.778 64.010 63.200 0.055 0.000 1.481 751 S HN -0.184 nan 8.310 nan 0.000 0.397 752 P HA -0.093 nan 4.420 nan 0.000 0.216 752 P C 1.054 178.347 177.300 -0.012 0.000 1.150 752 P CA 1.300 64.382 63.100 -0.030 0.000 0.843 752 P CB 0.079 31.736 31.700 -0.071 0.000 0.787 753 K N -1.185 119.209 120.400 -0.009 0.000 2.365 753 K HA 0.027 4.340 4.320 -0.012 0.000 0.197 753 K C 0.618 177.218 176.600 0.000 0.000 1.042 753 K CA 0.670 56.954 56.287 -0.004 0.000 0.987 753 K CB 0.068 32.567 32.500 -0.002 0.000 0.779 753 K HN 0.290 nan 8.250 nan 0.000 0.484 754 Q N 0.010 119.808 119.800 -0.004 0.000 2.907 754 Q HA 0.148 4.480 4.340 -0.012 0.000 0.262 754 Q C -2.328 173.667 176.000 -0.008 0.000 0.997 754 Q CA -1.648 54.148 55.803 -0.012 0.000 0.797 754 Q CB 1.494 30.214 28.738 -0.030 0.000 1.228 754 Q HN -0.078 nan 8.270 nan 0.000 0.466 755 P HA -0.214 nan 4.420 nan 0.000 0.217 755 P C 0.598 177.937 177.300 0.065 0.000 1.148 755 P CA 1.413 64.543 63.100 0.050 0.000 0.828 755 P CB 0.221 31.949 31.700 0.048 0.000 0.783 756 D N -1.312 119.111 120.400 0.039 0.000 2.342 756 D HA -0.006 4.626 4.640 -0.012 0.000 0.221 756 D C 1.647 177.955 176.300 0.014 0.000 1.101 756 D CA -0.225 53.806 54.000 0.052 0.000 0.837 756 D CB -0.698 40.131 40.800 0.049 0.000 0.938 756 D HN 0.024 nan 8.370 nan 0.000 0.508 757 L N 0.118 121.286 121.223 -0.091 0.000 2.051 757 L HA -0.108 4.225 4.340 -0.012 0.000 0.214 757 L C 1.168 177.868 176.870 -0.283 0.000 1.076 757 L CA 1.715 56.393 54.840 -0.270 0.000 0.758 757 L CB -0.698 41.017 42.059 -0.572 0.000 0.890 757 L HN -0.018 nan 8.230 nan 0.000 0.433 758 F N -0.425 119.590 119.950 0.108 0.000 2.713 758 F HA 0.134 4.653 4.527 -0.012 0.000 0.294 758 F C 1.812 177.673 175.800 0.102 0.000 1.152 758 F CA -0.133 57.922 58.000 0.091 0.000 1.385 758 F CB -0.325 38.718 39.000 0.072 0.000 0.981 758 F HN 0.148 nan 8.300 nan 0.000 0.514 759 K N -0.660 119.868 120.400 0.214 0.000 2.211 759 K HA -0.123 4.190 4.320 -0.012 0.000 0.203 759 K C 0.921 177.630 176.600 0.182 0.000 1.050 759 K CA 1.559 57.954 56.287 0.180 0.000 0.945 759 K CB -0.147 32.432 32.500 0.132 0.000 0.732 759 K HN 0.057 nan 8.250 nan 0.000 0.451 760 D N 1.559 122.077 120.400 0.197 0.000 2.144 760 D HA -0.089 4.544 4.640 -0.012 0.000 0.199 760 D C 2.009 178.424 176.300 0.191 0.000 0.984 760 D CA 1.096 55.218 54.000 0.203 0.000 0.834 760 D CB -0.090 40.865 40.800 0.258 0.000 0.955 760 D HN 0.301 nan 8.370 nan 0.000 0.465 761 I N 0.454 121.141 120.570 0.196 0.000 2.163 761 I HA -0.214 3.949 4.170 -0.012 0.000 0.240 761 I C 2.449 178.641 176.117 0.126 0.000 1.081 761 I CA 0.630 62.019 61.300 0.148 0.000 1.353 761 I CB -0.343 37.738 38.000 0.136 0.000 1.054 761 I HN -0.116 nan 8.210 nan 0.000 0.407 762 V N 1.323 121.327 119.914 0.148 0.000 2.287 762 V HA -0.314 3.799 4.120 -0.012 0.000 0.248 762 V C 2.284 178.430 176.094 0.087 0.000 1.053 762 V CA 2.390 64.765 62.300 0.126 0.000 1.027 762 V CB -1.004 30.906 31.823 0.146 0.000 0.646 762 V HN 0.470 nan 8.190 nan 0.000 0.447 763 N N -0.097 118.689 118.700 0.143 0.000 2.069 763 N HA -0.217 4.516 4.740 -0.012 0.000 0.191 763 N C 1.836 177.465 175.510 0.198 0.000 1.031 763 N CA 2.004 55.181 53.050 0.211 0.000 0.852 763 N CB -0.329 38.308 38.487 0.249 0.000 1.018 763 N HN 0.360 nan 8.380 nan 0.000 0.423 764 M N -0.274 119.437 119.600 0.185 0.000 2.086 764 M HA -0.098 4.375 4.480 -0.012 0.000 0.261 764 M C 1.387 177.699 176.300 0.021 0.000 1.067 764 M CA 1.265 56.675 55.300 0.183 0.000 1.116 764 M CB -0.648 32.056 32.600 0.172 0.000 1.348 764 M HN 0.163 nan 8.290 nan 0.000 0.407 765 L N 0.706 121.887 121.223 -0.070 0.000 2.079 765 L HA -0.201 4.131 4.340 -0.012 0.000 0.210 765 L C 2.463 179.032 176.870 -0.501 0.000 1.081 765 L CA 1.610 56.262 54.840 -0.313 0.000 0.752 765 L CB -1.214 40.679 42.059 -0.278 0.000 0.896 765 L HN 0.361 nan 8.230 nan 0.000 0.433 766 M N -1.941 117.429 119.600 -0.383 0.000 2.334 766 M HA -0.058 4.415 4.480 -0.012 0.000 0.266 766 M C 1.778 177.625 176.300 -0.755 0.000 1.082 766 M CA 1.381 56.334 55.300 -0.579 0.000 1.141 766 M CB -0.665 31.508 32.600 -0.712 0.000 1.380 766 M HN 0.344 nan 8.290 nan 0.000 0.440 767 H N -2.436 116.461 119.070 -0.287 0.000 3.205 767 H HA 0.268 4.816 4.556 -0.012 0.000 0.252 767 H C 0.305 175.192 175.328 -0.734 0.000 1.015 767 H CA 0.395 56.112 56.048 -0.552 0.000 1.192 767 H CB 0.763 30.086 29.762 -0.730 0.000 1.474 767 H HN 0.424 nan 8.280 nan 0.000 0.484 768 H N 0.415 119.533 119.070 0.081 0.000 2.790 768 H HA 0.137 4.685 4.556 -0.012 0.000 0.232 768 H C -0.674 174.680 175.328 0.044 0.000 1.313 768 H CA -0.232 55.856 56.048 0.067 0.000 1.011 768 H CB 1.022 30.828 29.762 0.074 0.000 2.105 768 H HN 0.101 nan 8.280 nan 0.000 0.580 769 D N 1.343 121.803 120.400 0.099 0.000 2.393 769 D HA 0.111 4.743 4.640 -0.012 0.000 0.232 769 D C 1.193 177.473 176.300 -0.034 0.000 1.192 769 D CA -0.300 53.742 54.000 0.069 0.000 0.882 769 D CB 0.614 41.438 40.800 0.040 0.000 1.038 769 D HN 0.207 nan 8.370 nan 0.000 0.499 770 R N 2.290 122.668 120.500 -0.203 0.000 2.237 770 R HA -0.040 4.293 4.340 -0.012 0.000 0.219 770 R C 0.614 176.448 176.300 -0.778 0.000 1.080 770 R CA 0.893 56.645 56.100 -0.580 0.000 0.995 770 R CB 0.110 29.835 30.300 -0.958 0.000 0.875 770 R HN 0.413 nan 8.270 nan 0.000 0.462 771 F N 0.107 120.021 119.950 -0.061 0.000 2.661 771 F HA 0.284 4.803 4.527 -0.012 0.000 0.306 771 F C 0.046 175.735 175.800 -0.186 0.000 1.094 771 F CA -0.644 57.307 58.000 -0.081 0.000 1.254 771 F CB 0.317 39.327 39.000 0.017 0.000 1.040 771 F HN -0.255 nan 8.300 nan 0.000 0.562 772 K N -0.269 119.969 120.400 -0.271 0.000 3.150 772 K HA -0.167 4.145 4.320 -0.012 0.000 0.267 772 K C 0.931 177.424 176.600 -0.179 0.000 1.028 772 K CA 0.190 56.126 56.287 -0.586 0.000 0.753 772 K CB -1.848 30.229 32.500 -0.704 0.000 1.288 772 K HN 0.202 nan 8.250 nan 0.000 0.473 773 V N -0.088 119.806 119.914 -0.034 0.000 2.287 773 V HA -0.281 3.831 4.120 -0.012 0.000 0.248 773 V C 1.937 178.182 176.094 0.253 0.000 1.053 773 V CA 2.298 64.654 62.300 0.094 0.000 1.027 773 V CB -0.497 31.386 31.823 0.101 0.000 0.646 773 V HN 0.478 nan 8.190 nan 0.000 0.447 774 F N 0.205 120.166 119.950 0.018 0.000 2.234 774 F HA -0.146 4.374 4.527 -0.013 0.000 0.299 774 F C 2.516 178.100 175.800 -0.360 0.000 1.087 774 F CA 0.590 58.542 58.000 -0.080 0.000 1.340 774 F CB -0.341 38.633 39.000 -0.043 0.000 1.031 774 F HN 0.197 nan 8.300 nan 0.000 0.500 775 A N -0.517 122.126 122.820 -0.296 0.000 2.019 775 A HA -0.182 4.130 4.320 -0.012 0.000 0.219 775 A C 1.442 179.004 177.584 -0.036 0.000 1.164 775 A CA 1.759 53.521 52.037 -0.457 0.000 0.644 775 A CB -0.426 18.445 19.000 -0.214 0.000 0.805 775 A HN 0.217 nan 8.150 nan 0.000 0.449 776 D N -2.791 117.655 120.400 0.078 0.000 2.369 776 D HA 0.087 4.720 4.640 -0.012 0.000 0.211 776 D C 1.151 177.608 176.300 0.263 0.000 1.077 776 D CA -0.024 54.101 54.000 0.209 0.000 0.842 776 D CB -0.096 40.846 40.800 0.238 0.000 0.947 776 D HN 0.592 nan 8.370 nan 0.000 0.509 777 Y N 2.061 122.437 120.300 0.127 0.000 2.114 777 Y HA -0.193 4.350 4.550 -0.012 0.000 0.284 777 Y C 2.050 178.027 175.900 0.129 0.000 1.143 777 Y CA 1.826 60.010 58.100 0.140 0.000 1.135 777 Y CB 0.207 38.721 38.460 0.091 0.000 0.980 777 Y HN -0.111 nan 8.280 nan 0.000 0.499 778 E N 0.012 120.273 120.200 0.102 0.000 2.051 778 E HA -0.245 4.098 4.350 -0.012 0.000 0.192 778 E C 2.189 178.755 176.600 -0.058 0.000 0.991 778 E CA 1.501 57.895 56.400 -0.010 0.000 0.799 778 E CB -0.193 29.601 29.700 0.156 0.000 0.748 778 E HN 0.621 nan 8.360 nan 0.000 0.449 779 E N -0.197 120.042 120.200 0.065 0.000 2.110 779 E HA -0.205 4.138 4.350 -0.012 0.000 0.193 779 E C 1.910 178.479 176.600 -0.053 0.000 0.988 779 E CA 0.757 57.215 56.400 0.096 0.000 0.804 779 E CB -0.091 29.768 29.700 0.264 0.000 0.745 779 E HN 0.245 nan 8.360 nan 0.000 0.458 780 Y N 0.956 121.023 120.300 -0.388 0.000 2.163 780 Y HA -0.217 4.326 4.550 -0.012 0.000 0.288 780 Y C 2.100 177.600 175.900 -0.667 0.000 1.136 780 Y CA 1.024 58.573 58.100 -0.918 0.000 1.147 780 Y CB -0.513 37.470 38.460 -0.794 0.000 0.987 780 Y HN -0.191 nan 8.280 nan 0.000 0.509 781 V N 0.386 119.944 119.914 -0.594 0.000 2.295 781 V HA -0.299 3.813 4.120 -0.012 0.000 0.246 781 V C 2.366 178.238 176.094 -0.370 0.000 1.049 781 V CA 2.300 64.278 62.300 -0.537 0.000 1.024 781 V CB -0.674 30.852 31.823 -0.494 0.000 0.648 781 V HN 0.204 nan 8.190 nan 0.000 0.447 782 K N -0.411 119.834 120.400 -0.258 0.000 2.009 782 K HA -0.210 4.103 4.320 -0.012 0.000 0.210 782 K C 2.283 178.800 176.600 -0.138 0.000 1.049 782 K CA 2.000 58.202 56.287 -0.142 0.000 0.929 782 K CB -1.017 31.445 32.500 -0.064 0.000 0.714 782 K HN 0.540 nan 8.250 nan 0.000 0.440 783 C N 0.888 120.085 119.300 -0.171 0.000 2.413 783 C HA -0.103 4.349 4.460 -0.012 0.000 0.277 783 C C 2.487 177.327 174.990 -0.250 0.000 1.265 783 C CA 0.834 59.786 59.018 -0.109 0.000 1.752 783 C CB -0.777 26.921 27.740 -0.069 0.000 1.998 783 C HN 0.477 nan 8.230 nan 0.000 0.489 784 Q N 0.368 119.871 119.800 -0.494 0.000 2.170 784 Q HA -0.158 4.174 4.340 -0.012 0.000 0.203 784 Q C 2.024 177.841 176.000 -0.305 0.000 0.976 784 Q CA 1.573 57.035 55.803 -0.569 0.000 0.858 784 Q CB -0.384 27.761 28.738 -0.988 0.000 0.907 784 Q HN 0.765 nan 8.270 nan 0.000 0.433 785 E N 0.184 120.264 120.200 -0.199 0.000 2.106 785 E HA -0.126 4.216 4.350 -0.012 0.000 0.192 785 E C 2.065 178.642 176.600 -0.039 0.000 0.984 785 E CA 0.503 56.847 56.400 -0.094 0.000 0.806 785 E CB -0.003 29.657 29.700 -0.066 0.000 0.750 785 E HN 0.271 nan 8.360 nan 0.000 0.458 786 R N 0.521 121.013 120.500 -0.015 0.000 2.092 786 R HA -0.075 4.258 4.340 -0.012 0.000 0.231 786 R C 2.442 178.814 176.300 0.119 0.000 1.119 786 R CA 0.848 57.014 56.100 0.111 0.000 0.970 786 R CB -0.377 30.054 30.300 0.219 0.000 0.864 786 R HN 0.060 nan 8.270 nan 0.000 0.440 787 V N 0.824 120.621 119.914 -0.194 0.000 2.287 787 V HA -0.265 3.848 4.120 -0.012 0.000 0.248 787 V C 2.258 178.355 176.094 0.005 0.000 1.053 787 V CA 2.031 64.095 62.300 -0.394 0.000 1.027 787 V CB -0.435 31.009 31.823 -0.632 0.000 0.646 787 V HN 0.289 nan 8.190 nan 0.000 0.447 788 S N 0.017 115.688 115.700 -0.049 0.000 2.359 788 S HA -0.212 4.250 4.470 -0.012 0.000 0.224 788 S C 2.239 176.907 174.600 0.114 0.000 1.035 788 S CA 1.473 59.677 58.200 0.007 0.000 1.018 788 S CB -0.596 62.581 63.200 -0.039 0.000 0.876 788 S HN 0.664 nan 8.310 nan 0.000 0.448 789 A N 1.457 124.347 122.820 0.117 0.000 1.892 789 A HA -0.102 4.210 4.320 -0.012 0.000 0.218 789 A C 2.122 179.827 177.584 0.202 0.000 1.188 789 A CA 1.380 53.505 52.037 0.146 0.000 0.631 789 A CB -0.816 18.261 19.000 0.128 0.000 0.822 789 A HN 0.471 nan 8.150 nan 0.000 0.447 790 L N -2.253 119.153 121.223 0.304 0.000 2.093 790 L HA -0.140 4.193 4.340 -0.012 0.000 0.208 790 L C 2.466 179.610 176.870 0.456 0.000 1.085 790 L CA 1.735 56.825 54.840 0.416 0.000 0.755 790 L CB -0.401 42.020 42.059 0.603 0.000 0.904 790 L HN 0.607 nan 8.230 nan 0.000 0.435 791 Y N 0.913 121.341 120.300 0.214 0.000 2.352 791 Y HA -0.237 4.306 4.550 -0.011 0.000 0.292 791 Y C 2.380 178.221 175.900 -0.098 0.000 1.136 791 Y CA 1.474 59.457 58.100 -0.194 0.000 1.227 791 Y CB -0.028 38.109 38.460 -0.538 0.000 0.991 791 Y HN 0.056 nan 8.280 nan 0.000 0.545 792 K N -0.078 120.373 120.400 0.086 0.000 2.362 792 K HA -0.136 4.177 4.320 -0.012 0.000 0.200 792 K C 0.266 176.853 176.600 -0.021 0.000 1.046 792 K CA 0.789 57.104 56.287 0.047 0.000 0.952 792 K CB -0.096 32.469 32.500 0.109 0.000 0.753 792 K HN 0.051 nan 8.250 nan 0.000 0.466 793 N N 0.261 118.961 118.700 0.001 0.000 2.776 793 N HA 0.148 4.881 4.740 -0.012 0.000 0.245 793 N C -2.451 173.057 175.510 -0.003 0.000 1.121 793 N CA -2.360 50.692 53.050 0.004 0.000 0.852 793 N CB 1.254 39.774 38.487 0.054 0.000 1.142 793 N HN -0.226 nan 8.380 nan 0.000 0.514 794 P HA -0.189 nan 4.420 nan 0.000 0.215 794 P C 1.398 178.708 177.300 0.017 0.000 1.157 794 P CA 1.154 64.182 63.100 -0.120 0.000 0.874 794 P CB 0.384 31.987 31.700 -0.161 0.000 0.790 795 R N 0.098 120.606 120.500 0.013 0.000 2.080 795 R HA -0.176 4.156 4.340 -0.012 0.000 0.236 795 R C 2.020 178.360 176.300 0.066 0.000 1.137 795 R CA 1.586 57.705 56.100 0.032 0.000 0.943 795 R CB -0.452 29.859 30.300 0.018 0.000 0.846 795 R HN 0.093 nan 8.270 nan 0.000 0.431 796 E N -0.086 120.163 120.200 0.082 0.000 2.152 796 E HA -0.221 4.122 4.350 -0.012 0.000 0.192 796 E C 1.609 178.287 176.600 0.130 0.000 0.983 796 E CA 0.635 57.088 56.400 0.089 0.000 0.818 796 E CB -0.435 29.313 29.700 0.081 0.000 0.758 796 E HN 0.530 nan 8.360 nan 0.000 0.467 797 W N 2.168 123.469 121.300 0.001 0.000 2.333 797 W HA -0.210 4.442 4.660 -0.013 0.000 0.316 797 W C 1.629 178.158 176.519 0.017 0.000 1.215 797 W CA 2.205 59.566 57.345 0.027 0.000 1.278 797 W CB -0.410 29.037 29.460 -0.022 0.000 1.154 797 W HN 0.038 nan 8.180 nan 0.000 0.486 798 T N 1.045 115.733 114.554 0.222 0.000 2.821 798 T HA -0.148 4.195 4.350 -0.012 0.000 0.267 798 T C 1.840 176.548 174.700 0.013 0.000 1.046 798 T CA 1.594 63.758 62.100 0.107 0.000 1.139 798 T CB -0.295 68.622 68.868 0.082 0.000 0.871 798 T HN 0.172 nan 8.240 nan 0.000 0.454 799 R N 0.539 121.053 120.500 0.022 0.000 2.081 799 R HA 0.079 4.411 4.340 -0.012 0.000 0.235 799 R C 2.516 178.807 176.300 -0.015 0.000 1.131 799 R CA 1.252 57.364 56.100 0.020 0.000 0.960 799 R CB -0.355 29.963 30.300 0.030 0.000 0.856 799 R HN 0.354 nan 8.270 nan 0.000 0.436 800 M N 0.533 120.091 119.600 -0.071 0.000 2.175 800 M HA -0.145 4.327 4.480 -0.012 0.000 0.264 800 M C 1.916 178.129 176.300 -0.144 0.000 1.063 800 M CA 1.391 56.613 55.300 -0.129 0.000 1.119 800 M CB 0.166 32.637 32.600 -0.215 0.000 1.377 800 M HN -0.003 nan 8.290 nan 0.000 0.415 801 V N 0.862 120.668 119.914 -0.179 0.000 2.287 801 V HA -0.312 3.800 4.120 -0.012 0.000 0.248 801 V C 2.201 178.281 176.094 -0.023 0.000 1.053 801 V CA 2.026 64.255 62.300 -0.119 0.000 1.027 801 V CB -0.618 31.154 31.823 -0.085 0.000 0.646 801 V HN 0.498 nan 8.190 nan 0.000 0.447 802 I N -0.564 120.011 120.570 0.009 0.000 2.208 802 I HA -0.272 3.890 4.170 -0.012 0.000 0.245 802 I C 2.706 178.873 176.117 0.085 0.000 1.097 802 I CA 1.652 63.006 61.300 0.089 0.000 1.363 802 I CB -0.414 37.690 38.000 0.174 0.000 1.051 802 I HN 0.190 nan 8.210 nan 0.000 0.413 803 R N 0.360 120.887 120.500 0.046 0.000 2.152 803 R HA -0.119 4.214 4.340 -0.012 0.000 0.232 803 R C 2.036 178.366 176.300 0.049 0.000 1.117 803 R CA 1.137 57.261 56.100 0.041 0.000 0.981 803 R CB -0.400 29.908 30.300 0.013 0.000 0.870 803 R HN 0.539 nan 8.270 nan 0.000 0.451 804 N N 0.623 119.346 118.700 0.038 0.000 2.109 804 N HA -0.084 4.649 4.740 -0.012 0.000 0.188 804 N C 1.968 177.533 175.510 0.092 0.000 1.034 804 N CA 1.099 54.190 53.050 0.069 0.000 0.846 804 N CB -0.042 38.464 38.487 0.032 0.000 1.010 804 N HN 0.122 nan 8.380 nan 0.000 0.425 805 I N 1.678 122.294 120.570 0.076 0.000 2.194 805 I HA -0.262 3.901 4.170 -0.012 0.000 0.246 805 I C 2.471 178.638 176.117 0.083 0.000 1.093 805 I CA 0.998 62.348 61.300 0.084 0.000 1.355 805 I CB -0.362 37.684 38.000 0.078 0.000 1.046 805 I HN 0.102 nan 8.210 nan 0.000 0.413 806 A N 0.379 123.246 122.820 0.079 0.000 2.019 806 A HA -0.168 4.144 4.320 -0.012 0.000 0.219 806 A C 2.113 179.732 177.584 0.058 0.000 1.164 806 A CA 2.105 54.179 52.037 0.061 0.000 0.644 806 A CB -0.842 18.198 19.000 0.066 0.000 0.805 806 A HN 0.543 nan 8.150 nan 0.000 0.449 807 T N -2.841 111.762 114.554 0.081 0.000 3.176 807 T HA 0.181 4.524 4.350 -0.012 0.000 0.263 807 T C 1.156 175.941 174.700 0.142 0.000 1.021 807 T CA 0.646 62.796 62.100 0.084 0.000 0.905 807 T CB -0.163 68.755 68.868 0.083 0.000 1.057 807 T HN 0.490 nan 8.240 nan 0.000 0.558 808 S N 0.156 115.959 115.700 0.170 0.000 2.603 808 S HA 0.240 4.703 4.470 -0.012 0.000 0.220 808 S C 2.174 176.898 174.600 0.205 0.000 0.967 808 S CA 0.259 58.634 58.200 0.291 0.000 0.920 808 S CB -0.628 62.720 63.200 0.246 0.000 0.773 808 S HN 0.524 nan 8.310 nan 0.000 0.529 809 G N 2.599 111.441 108.800 0.069 0.000 2.442 809 G HA2 -0.258 3.695 3.960 -0.012 0.000 0.219 809 G HA3 -0.258 3.695 3.960 -0.012 0.000 0.219 809 G C 1.325 176.170 174.900 -0.091 0.000 1.141 809 G CA 0.933 46.042 45.100 0.015 0.000 0.763 809 G HN 0.594 nan 8.290 nan 0.000 0.554 810 K N -0.128 120.095 120.400 -0.295 0.000 2.211 810 K HA -0.059 4.254 4.320 -0.012 0.000 0.204 810 K C 1.208 177.492 176.600 -0.527 0.000 1.047 810 K CA 0.815 56.790 56.287 -0.519 0.000 0.935 810 K CB -0.270 31.722 32.500 -0.847 0.000 0.728 810 K HN 0.431 nan 8.250 nan 0.000 0.452 811 F N 0.760 120.740 119.950 0.050 0.000 2.664 811 F HA 0.134 4.653 4.527 -0.013 0.000 0.301 811 F C 0.779 176.625 175.800 0.076 0.000 1.126 811 F CA -0.642 57.395 58.000 0.061 0.000 1.373 811 F CB 0.495 39.527 39.000 0.054 0.000 1.042 811 F HN -0.128 nan 8.300 nan 0.000 0.535 812 S N 0.407 116.191 115.700 0.140 0.000 2.528 812 S HA 0.056 4.519 4.470 -0.012 0.000 0.277 812 S C 1.442 176.123 174.600 0.134 0.000 1.297 812 S CA -0.198 58.079 58.200 0.129 0.000 1.052 812 S CB 0.793 64.038 63.200 0.075 0.000 0.917 812 S HN 0.358 nan 8.310 nan 0.000 0.492 813 S N 3.363 119.168 115.700 0.175 0.000 2.507 813 S HA -0.084 4.378 4.470 -0.012 0.000 0.235 813 S C 0.958 175.608 174.600 0.083 0.000 0.988 813 S CA 0.721 59.042 58.200 0.201 0.000 0.944 813 S CB -0.347 63.053 63.200 0.333 0.000 0.762 813 S HN 0.794 nan 8.310 nan 0.000 0.526 814 D N 1.912 122.347 120.400 0.060 0.000 2.144 814 D HA -0.089 4.544 4.640 -0.012 0.000 0.199 814 D C 2.101 178.405 176.300 0.006 0.000 0.984 814 D CA 0.815 54.828 54.000 0.023 0.000 0.834 814 D CB -0.317 40.494 40.800 0.019 0.000 0.955 814 D HN 0.303 nan 8.370 nan 0.000 0.465 815 R N 0.836 121.342 120.500 0.010 0.000 2.066 815 R HA -0.078 4.254 4.340 -0.012 0.000 0.232 815 R C 1.901 178.192 176.300 -0.015 0.000 1.131 815 R CA 1.380 57.472 56.100 -0.014 0.000 0.955 815 R CB -0.811 29.468 30.300 -0.035 0.000 0.851 815 R HN 0.113 nan 8.270 nan 0.000 0.432 816 T N 2.405 116.971 114.554 0.021 0.000 2.635 816 T HA -0.140 4.202 4.350 -0.012 0.000 0.267 816 T C 1.953 176.649 174.700 -0.007 0.000 1.040 816 T CA 1.525 63.652 62.100 0.045 0.000 1.156 816 T CB -0.162 68.805 68.868 0.165 0.000 0.863 816 T HN 0.111 nan 8.240 nan 0.000 0.430 817 I N 1.689 122.182 120.570 -0.127 0.000 2.286 817 I HA -0.112 4.051 4.170 -0.012 0.000 0.248 817 I C 2.950 179.035 176.117 -0.053 0.000 1.115 817 I CA 1.064 62.266 61.300 -0.163 0.000 1.392 817 I CB -1.626 36.274 38.000 -0.166 0.000 1.065 817 I HN 0.207 nan 8.210 nan 0.000 0.418 818 A N 0.242 123.043 122.820 -0.032 0.000 1.978 818 A HA -0.241 4.072 4.320 -0.012 0.000 0.220 818 A C 2.247 179.793 177.584 -0.063 0.000 1.170 818 A CA 1.498 53.522 52.037 -0.022 0.000 0.636 818 A CB -0.537 18.454 19.000 -0.015 0.000 0.810 818 A HN 0.533 nan 8.150 nan 0.000 0.448 819 Q N -1.949 117.793 119.800 -0.097 0.000 2.083 819 Q HA -0.139 4.194 4.340 -0.012 0.000 0.198 819 Q C 1.920 177.748 176.000 -0.288 0.000 0.969 819 Q CA 1.488 57.191 55.803 -0.167 0.000 0.838 819 Q CB -0.301 28.328 28.738 -0.181 0.000 0.900 819 Q HN 0.815 nan 8.270 nan 0.000 0.436 820 Y N 0.742 120.756 120.300 -0.477 0.000 2.128 820 Y HA -0.297 4.245 4.550 -0.013 0.000 0.284 820 Y C 2.486 177.826 175.900 -0.932 0.000 1.154 820 Y CA 1.353 58.912 58.100 -0.902 0.000 1.149 820 Y CB -0.370 37.223 38.460 -1.445 0.000 0.976 820 Y HN 0.165 nan 8.280 nan 0.000 0.505 821 A N 0.103 122.721 122.820 -0.338 0.000 1.877 821 A HA -0.190 4.123 4.320 -0.012 0.000 0.216 821 A C 2.217 179.826 177.584 0.042 0.000 1.186 821 A CA 1.834 53.915 52.037 0.074 0.000 0.620 821 A CB -0.489 18.632 19.000 0.201 0.000 0.822 821 A HN 0.417 nan 8.150 nan 0.000 0.443 822 R N -0.657 119.823 120.500 -0.034 0.000 2.093 822 R HA -0.006 4.327 4.340 -0.012 0.000 0.224 822 R C 1.711 177.988 176.300 -0.038 0.000 1.101 822 R CA 1.411 57.501 56.100 -0.018 0.000 0.979 822 R CB -0.104 30.180 30.300 -0.027 0.000 0.877 822 R HN 0.659 nan 8.270 nan 0.000 0.441 823 E N -0.565 119.571 120.200 -0.106 0.000 2.431 823 E HA 0.105 4.447 4.350 -0.012 0.000 0.200 823 E C 1.430 177.976 176.600 -0.091 0.000 0.995 823 E CA 0.392 56.731 56.400 -0.102 0.000 0.915 823 E CB 0.589 30.201 29.700 -0.146 0.000 0.930 823 E HN 0.274 nan 8.360 nan 0.000 0.496 824 I N -0.886 119.590 120.570 -0.157 0.000 3.570 824 I HA 0.025 4.188 4.170 -0.012 0.000 0.270 824 I C 1.416 177.654 176.117 0.202 0.000 1.162 824 I CA -0.025 61.235 61.300 -0.067 0.000 1.413 824 I CB 0.238 38.046 38.000 -0.320 0.000 1.437 824 I HN 0.105 nan 8.210 nan 0.000 0.457 825 W N 1.462 122.852 121.300 0.150 0.000 2.658 825 W HA 0.317 4.969 4.660 -0.012 0.000 0.263 825 W C 1.462 178.014 176.519 0.055 0.000 1.274 825 W CA 0.843 58.258 57.345 0.116 0.000 1.343 825 W CB -1.058 28.458 29.460 0.092 0.000 1.106 825 W HN 0.317 nan 8.180 nan 0.000 0.615 826 G N 1.206 110.142 108.800 0.227 0.000 2.256 826 G HA2 -0.095 3.858 3.960 -0.012 0.000 0.272 826 G HA3 -0.095 3.858 3.960 -0.012 0.000 0.272 826 G C -0.373 174.597 174.900 0.115 0.000 1.076 826 G CA 0.205 45.380 45.100 0.124 0.000 0.882 826 G HN 0.440 nan 8.290 nan 0.000 0.497 827 V N -4.148 115.854 119.914 0.146 0.000 2.925 827 V HA 0.880 4.993 4.120 -0.012 0.000 0.311 827 V C -0.302 175.849 176.094 0.096 0.000 1.104 827 V CA -1.703 60.665 62.300 0.113 0.000 0.954 827 V CB 2.342 34.240 31.823 0.125 0.000 1.022 827 V HN 0.136 nan 8.190 nan 0.000 0.427 828 E N 4.324 124.564 120.200 0.066 0.000 2.167 828 E HA 0.500 4.842 4.350 -0.012 0.000 0.284 828 E C -2.451 174.184 176.600 0.058 0.000 1.016 828 E CA -1.710 54.722 56.400 0.054 0.000 0.817 828 E CB 1.761 31.485 29.700 0.040 0.000 1.080 828 E HN 0.752 nan 8.360 nan 0.000 0.397 829 P HA 0.092 nan 4.420 nan 0.000 0.272 829 P C -0.572 176.756 177.300 0.047 0.000 1.223 829 P CA -0.340 62.793 63.100 0.056 0.000 0.784 829 P CB 0.939 32.669 31.700 0.051 0.000 0.923 830 S N 1.051 116.781 115.700 0.050 0.000 2.557 830 S HA 0.331 4.794 4.470 -0.012 0.000 0.291 830 S C 0.549 175.173 174.600 0.040 0.000 1.116 830 S CA -0.757 57.471 58.200 0.046 0.000 0.992 830 S CB 0.838 64.072 63.200 0.056 0.000 1.028 830 S HN 0.250 nan 8.310 nan 0.000 0.484 831 R N 2.403 122.922 120.500 0.032 0.000 2.334 831 R HA 0.191 4.523 4.340 -0.012 0.000 0.216 831 R C 0.080 176.392 176.300 0.020 0.000 0.905 831 R CA 0.054 56.172 56.100 0.029 0.000 1.064 831 R CB 0.073 30.390 30.300 0.028 0.000 1.046 831 R HN 0.680 nan 8.270 nan 0.000 0.508 832 Q N 0.996 120.807 119.800 0.018 0.000 2.332 832 Q HA 0.097 4.430 4.340 -0.012 0.000 0.263 832 Q C -0.255 175.739 176.000 -0.010 0.000 0.979 832 Q CA 0.067 55.874 55.803 0.006 0.000 0.885 832 Q CB 0.887 29.632 28.738 0.011 0.000 1.218 832 Q HN -0.169 nan 8.270 nan 0.000 0.405 833 R N 1.563 122.049 120.500 -0.023 0.000 2.590 833 R HA 0.136 4.468 4.340 -0.012 0.000 0.274 833 R C -0.439 175.822 176.300 -0.065 0.000 1.061 833 R CA 0.145 56.219 56.100 -0.043 0.000 1.081 833 R CB 0.300 30.574 30.300 -0.043 0.000 0.984 833 R HN 0.504 nan 8.270 nan 0.000 0.448 834 L N 5.597 126.763 121.223 -0.094 0.000 2.418 834 L HA 0.335 4.668 4.340 -0.012 0.000 0.265 834 L C -1.653 175.161 176.870 -0.093 0.000 1.143 834 L CA -1.943 52.813 54.840 -0.139 0.000 0.809 834 L CB 0.875 42.819 42.059 -0.191 0.000 1.124 834 L HN 0.502 nan 8.230 nan 0.000 0.456 835 P HA 0.074 nan 4.420 nan 0.000 0.267 835 P C -0.732 176.542 177.300 -0.044 0.000 1.205 835 P CA -0.216 62.853 63.100 -0.051 0.000 0.765 835 P CB 0.875 32.552 31.700 -0.039 0.000 0.828 836 A N 0.000 122.802 122.820 -0.031 0.000 2.254 836 A HA 0.000 4.313 4.320 -0.012 0.000 0.244 836 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 836 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486