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 3g2l_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.774 55.803 -0.048 0.000 1.022 12 Q CB 0.000 28.701 28.738 -0.062 0.000 1.108 13 I N -0.638 119.920 120.570 -0.020 0.000 2.562 13 I HA 0.551 4.714 4.170 -0.012 0.000 0.301 13 I C 0.943 177.059 176.117 -0.001 0.000 1.003 13 I CA -0.163 61.133 61.300 -0.007 0.000 1.127 13 I CB 1.946 39.946 38.000 -0.000 0.000 1.304 13 I HN 0.204 nan 8.210 nan 0.000 0.446 14 S N 3.456 119.161 115.700 0.008 0.000 2.356 14 S HA -0.150 4.313 4.470 -0.012 0.000 0.223 14 S C 1.781 176.390 174.600 0.015 0.000 1.032 14 S CA 1.868 60.075 58.200 0.012 0.000 1.005 14 S CB -0.601 62.610 63.200 0.019 0.000 0.867 14 S HN 0.807 nan 8.310 nan 0.000 0.449 15 V N 0.039 119.969 119.914 0.026 0.000 2.867 15 V HA 0.093 4.206 4.120 -0.012 0.000 0.260 15 V C 2.028 178.135 176.094 0.022 0.000 1.099 15 V CA 1.496 63.815 62.300 0.031 0.000 1.122 15 V CB -1.096 30.752 31.823 0.041 0.000 0.708 15 V HN 0.404 nan 8.190 nan 0.000 0.490 16 R N 1.278 121.783 120.500 0.008 0.000 2.320 16 R HA 0.429 4.762 4.340 -0.012 0.000 0.211 16 R C 1.130 177.421 176.300 -0.015 0.000 0.931 16 R CA 0.556 56.654 56.100 -0.003 0.000 1.071 16 R CB -0.082 30.212 30.300 -0.010 0.000 1.025 16 R HN 0.778 nan 8.270 nan 0.000 0.495 17 G N 0.666 109.457 108.800 -0.015 0.000 2.757 17 G HA2 -0.212 3.741 3.960 -0.012 0.000 0.638 17 G HA3 -0.212 3.741 3.960 -0.012 0.000 0.638 17 G C -0.933 173.953 174.900 -0.024 0.000 1.344 17 G CA -1.103 43.981 45.100 -0.027 0.000 0.855 17 G HN -0.030 nan 8.290 nan 0.000 0.537 18 L N 0.432 121.640 121.223 -0.026 0.000 2.371 18 L HA 0.641 4.974 4.340 -0.012 0.000 0.272 18 L C 1.296 178.154 176.870 -0.020 0.000 1.124 18 L CA 0.409 55.237 54.840 -0.020 0.000 0.816 18 L CB 0.945 42.994 42.059 -0.017 0.000 1.129 18 L HN 1.524 nan 8.230 nan 0.000 0.448 19 A N 2.672 125.483 122.820 -0.015 0.000 3.079 19 A HA 0.579 4.892 4.320 -0.012 0.000 0.315 19 A C 0.734 178.316 177.584 -0.004 0.000 1.334 19 A CA -0.323 51.708 52.037 -0.011 0.000 1.048 19 A CB -0.459 18.534 19.000 -0.012 0.000 1.156 19 A HN 0.792 nan 8.150 nan 0.000 0.523 20 G N -0.214 108.585 108.800 -0.002 0.000 2.544 20 G HA2 0.350 4.303 3.960 -0.012 0.000 0.242 20 G HA3 0.350 4.303 3.960 -0.012 0.000 0.242 20 G C 1.009 175.915 174.900 0.010 0.000 1.247 20 G CA -0.019 45.083 45.100 0.004 0.000 0.840 20 G HN 0.445 nan 8.290 nan 0.000 0.578 21 V N 1.504 121.425 119.914 0.011 0.000 2.287 21 V HA -0.187 3.926 4.120 -0.012 0.000 0.248 21 V C 2.658 178.764 176.094 0.019 0.000 1.053 21 V CA 2.413 64.722 62.300 0.014 0.000 1.027 21 V CB -0.696 31.135 31.823 0.012 0.000 0.646 21 V HN 0.826 nan 8.190 nan 0.000 0.447 22 E N 0.514 120.725 120.200 0.020 0.000 2.077 22 E HA -0.208 4.135 4.350 -0.012 0.000 0.193 22 E C 2.048 178.670 176.600 0.037 0.000 0.989 22 E CA 1.719 58.135 56.400 0.026 0.000 0.800 22 E CB -0.231 29.483 29.700 0.024 0.000 0.746 22 E HN 0.638 nan 8.360 nan 0.000 0.452 23 N N -0.979 117.742 118.700 0.035 0.000 2.106 23 N HA -0.126 4.607 4.740 -0.012 0.000 0.188 23 N C 1.605 177.144 175.510 0.047 0.000 1.029 23 N CA 1.258 54.336 53.050 0.046 0.000 0.848 23 N CB -0.018 38.484 38.487 0.026 0.000 1.007 23 N HN -0.012 nan 8.380 nan 0.000 0.423 24 V N 0.189 120.122 119.914 0.031 0.000 2.343 24 V HA -0.225 3.888 4.120 -0.012 0.000 0.247 24 V C 2.015 178.131 176.094 0.037 0.000 1.051 24 V CA 1.845 64.162 62.300 0.029 0.000 1.036 24 V CB -0.914 30.922 31.823 0.021 0.000 0.654 24 V HN 0.411 nan 8.190 nan 0.000 0.451 25 T N -0.478 114.098 114.554 0.037 0.000 2.708 25 T HA -0.229 4.114 4.350 -0.012 0.000 0.266 25 T C 1.934 176.668 174.700 0.057 0.000 1.037 25 T CA 1.841 63.964 62.100 0.038 0.000 1.146 25 T CB -0.212 68.675 68.868 0.031 0.000 0.865 25 T HN 0.481 nan 8.240 nan 0.000 0.435 26 E N 0.953 121.194 120.200 0.068 0.000 2.072 26 E HA -0.020 4.323 4.350 -0.012 0.000 0.191 26 E C 2.034 178.711 176.600 0.129 0.000 0.985 26 E CA 0.910 57.364 56.400 0.089 0.000 0.801 26 E CB -0.505 29.252 29.700 0.095 0.000 0.750 26 E HN 0.450 nan 8.360 nan 0.000 0.452 27 L N 0.064 121.369 121.223 0.137 0.000 2.056 27 L HA -0.148 4.185 4.340 -0.012 0.000 0.207 27 L C 2.472 179.450 176.870 0.180 0.000 1.078 27 L CA 1.368 56.312 54.840 0.174 0.000 0.749 27 L CB -0.326 41.806 42.059 0.121 0.000 0.901 27 L HN 0.059 nan 8.230 nan 0.000 0.433 28 K N 0.528 120.995 120.400 0.111 0.000 2.063 28 K HA -0.216 4.097 4.320 -0.012 0.000 0.208 28 K C 2.142 178.840 176.600 0.163 0.000 1.048 28 K CA 1.769 58.112 56.287 0.094 0.000 0.928 28 K CB -0.054 32.464 32.500 0.029 0.000 0.713 28 K HN 0.375 nan 8.250 nan 0.000 0.442 29 K N 0.045 120.525 120.400 0.133 0.000 2.167 29 K HA -0.026 4.287 4.320 -0.012 0.000 0.203 29 K C 1.527 178.214 176.600 0.145 0.000 1.052 29 K CA 1.206 57.566 56.287 0.123 0.000 0.956 29 K CB -0.053 32.493 32.500 0.077 0.000 0.735 29 K HN -0.022 nan 8.250 nan 0.000 0.451 30 N N 0.545 119.344 118.700 0.165 0.000 2.244 30 N HA -0.115 4.618 4.740 -0.012 0.000 0.183 30 N C 1.544 177.211 175.510 0.262 0.000 1.016 30 N CA 0.914 54.060 53.050 0.160 0.000 0.866 30 N CB -0.261 38.337 38.487 0.185 0.000 0.980 30 N HN 0.220 nan 8.380 nan 0.000 0.430 31 F N 2.402 122.456 119.950 0.174 0.000 2.102 31 F HA -0.094 4.426 4.527 -0.011 0.000 0.298 31 F C 1.985 177.893 175.800 0.179 0.000 1.105 31 F CA 1.249 59.366 58.000 0.195 0.000 1.239 31 F CB -0.087 38.998 39.000 0.142 0.000 0.991 31 F HN -0.029 nan 8.300 nan 0.000 0.474 32 N N 0.381 119.305 118.700 0.374 0.000 2.244 32 N HA -0.158 4.575 4.740 -0.012 0.000 0.183 32 N C 2.003 177.599 175.510 0.144 0.000 1.016 32 N CA 0.973 54.169 53.050 0.243 0.000 0.866 32 N CB -0.499 38.112 38.487 0.207 0.000 0.980 32 N HN 0.372 nan 8.380 nan 0.000 0.430 33 R N 0.281 120.863 120.500 0.137 0.000 2.073 33 R HA -0.093 4.240 4.340 -0.012 0.000 0.234 33 R C 1.741 178.121 176.300 0.134 0.000 1.134 33 R CA 1.463 57.668 56.100 0.176 0.000 0.952 33 R CB -0.200 30.130 30.300 0.051 0.000 0.850 33 R HN 0.368 nan 8.270 nan 0.000 0.433 34 H N -0.374 118.734 119.070 0.064 0.000 2.389 34 H HA -0.114 4.435 4.556 -0.012 0.000 0.299 34 H C 1.885 177.138 175.328 -0.125 0.000 1.081 34 H CA 1.398 57.412 56.048 -0.057 0.000 1.345 34 H CB 0.085 29.773 29.762 -0.124 0.000 1.393 34 H HN 0.129 nan 8.280 nan 0.000 0.520 35 L N -0.023 121.174 121.223 -0.042 0.000 2.042 35 L HA -0.199 4.134 4.340 -0.012 0.000 0.210 35 L C 2.234 179.079 176.870 -0.042 0.000 1.076 35 L CA 1.921 56.710 54.840 -0.085 0.000 0.749 35 L CB -0.461 41.563 42.059 -0.059 0.000 0.893 35 L HN 0.302 nan 8.230 nan 0.000 0.432 36 H N -1.698 117.296 119.070 -0.126 0.000 2.276 36 H HA -0.077 4.472 4.556 -0.012 0.000 0.307 36 H C 1.819 176.960 175.328 -0.312 0.000 1.061 36 H CA 2.309 58.194 56.048 -0.272 0.000 1.336 36 H CB -0.310 29.201 29.762 -0.417 0.000 1.396 36 H HN 0.294 nan 8.280 nan 0.000 0.503 37 F N -0.384 119.540 119.950 -0.044 0.000 2.234 37 F HA -0.027 4.493 4.527 -0.012 0.000 0.296 37 F C 2.593 178.310 175.800 -0.138 0.000 1.089 37 F CA 1.444 59.376 58.000 -0.114 0.000 1.343 37 F CB -0.347 38.625 39.000 -0.047 0.000 1.040 37 F HN 0.190 nan 8.300 nan 0.000 0.498 38 T N -0.290 114.287 114.554 0.039 0.000 2.939 38 T HA 0.091 4.434 4.350 -0.012 0.000 0.254 38 T C 1.878 176.475 174.700 -0.172 0.000 1.041 38 T CA 0.811 62.859 62.100 -0.087 0.000 1.142 38 T CB -0.191 68.586 68.868 -0.152 0.000 0.874 38 T HN 0.107 nan 8.240 nan 0.000 0.452 39 L N 1.035 122.159 121.223 -0.165 0.000 2.554 39 L HA 0.244 4.577 4.340 -0.012 0.000 0.225 39 L C 0.264 177.035 176.870 -0.165 0.000 1.104 39 L CA -0.140 54.594 54.840 -0.177 0.000 0.866 39 L CB 0.107 42.069 42.059 -0.162 0.000 1.047 39 L HN -0.052 nan 8.230 nan 0.000 0.468 40 V N 0.617 120.417 119.914 -0.190 0.000 5.949 40 V HA -0.273 3.840 4.120 -0.012 0.000 0.287 40 V C -0.130 175.854 176.094 -0.182 0.000 0.603 40 V CA 1.093 63.257 62.300 -0.227 0.000 0.608 40 V CB -2.211 29.503 31.823 -0.181 0.000 0.259 40 V HN 0.427 nan 8.190 nan 0.000 0.742 41 K N 0.907 121.208 120.400 -0.166 0.000 2.509 41 K HA 0.726 5.039 4.320 -0.012 0.000 0.266 41 K C -0.599 175.974 176.600 -0.045 0.000 0.987 41 K CA -0.511 55.713 56.287 -0.104 0.000 0.868 41 K CB 2.806 35.240 32.500 -0.110 0.000 1.421 41 K HN 0.483 nan 8.250 nan 0.000 0.444 42 D N -0.653 119.743 120.400 -0.007 0.000 2.497 42 D HA 0.321 4.954 4.640 -0.012 0.000 0.243 42 D C 0.677 177.015 176.300 0.064 0.000 1.039 42 D CA -0.696 53.333 54.000 0.049 0.000 1.052 42 D CB 0.841 41.673 40.800 0.053 0.000 1.344 42 D HN 0.105 nan 8.370 nan 0.000 0.553 43 R N 0.016 120.586 120.500 0.117 0.000 2.303 43 R HA -0.043 4.290 4.340 -0.012 0.000 0.225 43 R C 0.742 177.121 176.300 0.132 0.000 1.114 43 R CA 0.572 56.782 56.100 0.183 0.000 1.007 43 R CB -0.703 29.704 30.300 0.178 0.000 0.861 43 R HN 0.504 nan 8.270 nan 0.000 0.471 44 N N 0.002 118.745 118.700 0.072 0.000 2.376 44 N HA -0.069 4.664 4.740 -0.012 0.000 0.177 44 N C 1.551 177.080 175.510 0.033 0.000 1.024 44 N CA 1.224 54.305 53.050 0.051 0.000 0.893 44 N CB 0.334 38.841 38.487 0.033 0.000 0.980 44 N HN 0.211 nan 8.380 nan 0.000 0.439 45 V N -2.874 117.047 119.914 0.010 0.000 3.477 45 V HA 0.543 4.656 4.120 -0.012 0.000 0.297 45 V C 0.687 176.748 176.094 -0.055 0.000 1.433 45 V CA -0.656 61.636 62.300 -0.015 0.000 1.052 45 V CB -0.290 31.521 31.823 -0.021 0.000 0.895 45 V HN 0.040 nan 8.190 nan 0.000 0.438 46 A N 2.310 125.075 122.820 -0.092 0.000 2.450 46 A HA 0.573 4.886 4.320 -0.012 0.000 0.255 46 A C 0.803 178.209 177.584 -0.297 0.000 1.096 46 A CA 0.727 52.598 52.037 -0.276 0.000 0.778 46 A CB -0.156 18.547 19.000 -0.495 0.000 1.031 46 A HN 0.780 nan 8.150 nan 0.000 0.494 47 T N 0.645 115.042 114.554 -0.261 0.000 2.902 47 T HA 0.493 4.836 4.350 -0.012 0.000 0.280 47 T C -1.997 172.612 174.700 -0.151 0.000 0.992 47 T CA -1.625 60.396 62.100 -0.131 0.000 1.015 47 T CB 0.958 69.795 68.868 -0.051 0.000 1.044 47 T HN 0.286 nan 8.240 nan 0.000 0.520 48 P HA -0.041 nan 4.420 nan 0.000 0.219 48 P C 1.576 178.977 177.300 0.169 0.000 1.146 48 P CA 0.770 63.998 63.100 0.213 0.000 0.808 48 P CB 0.042 31.839 31.700 0.162 0.000 0.779 49 R N 0.248 120.794 120.500 0.077 0.000 2.075 49 R HA -0.130 4.203 4.340 -0.012 0.000 0.232 49 R C 1.664 178.115 176.300 0.253 0.000 1.126 49 R CA 1.738 57.912 56.100 0.122 0.000 0.963 49 R CB -0.719 29.595 30.300 0.023 0.000 0.858 49 R HN 0.081 nan 8.270 nan 0.000 0.435 50 D N -0.301 120.151 120.400 0.088 0.000 2.149 50 D HA -0.203 4.430 4.640 -0.012 0.000 0.198 50 D C 1.703 178.025 176.300 0.036 0.000 0.990 50 D CA 1.345 55.355 54.000 0.017 0.000 0.839 50 D CB -0.275 40.396 40.800 -0.215 0.000 0.948 50 D HN 0.315 nan 8.370 nan 0.000 0.460 51 Y N 0.151 120.553 120.300 0.169 0.000 2.200 51 Y HA -0.207 4.336 4.550 -0.011 0.000 0.290 51 Y C 2.348 178.390 175.900 0.237 0.000 1.137 51 Y CA 0.343 58.591 58.100 0.247 0.000 1.163 51 Y CB -1.188 37.462 38.460 0.317 0.000 0.988 51 Y HN 0.082 nan 8.280 nan 0.000 0.518 52 Y N -0.471 119.966 120.300 0.228 0.000 2.128 52 Y HA -0.302 4.241 4.550 -0.012 0.000 0.284 52 Y C 2.025 177.908 175.900 -0.028 0.000 1.154 52 Y CA 1.382 59.514 58.100 0.054 0.000 1.149 52 Y CB -1.164 37.218 38.460 -0.129 0.000 0.976 52 Y HN 0.062 nan 8.280 nan 0.000 0.505 53 F N 0.136 119.888 119.950 -0.330 0.000 2.171 53 F HA -0.153 4.368 4.527 -0.011 0.000 0.300 53 F C 2.644 178.280 175.800 -0.273 0.000 1.090 53 F CA 1.191 58.934 58.000 -0.428 0.000 1.293 53 F CB -0.705 38.208 39.000 -0.146 0.000 1.013 53 F HN 0.211 nan 8.300 nan 0.000 0.486 54 A N -0.225 122.538 122.820 -0.095 0.000 1.902 54 A HA -0.182 4.131 4.320 -0.012 0.000 0.217 54 A C 2.029 179.486 177.584 -0.212 0.000 1.181 54 A CA 1.499 53.347 52.037 -0.316 0.000 0.623 54 A CB -0.954 17.531 19.000 -0.857 0.000 0.818 54 A HN 0.343 nan 8.150 nan 0.000 0.443 55 L N -0.249 120.974 121.223 0.001 0.000 2.027 55 L HA -0.010 4.323 4.340 -0.012 0.000 0.206 55 L C 2.715 179.586 176.870 0.002 0.000 1.074 55 L CA 2.124 57.091 54.840 0.212 0.000 0.745 55 L CB -0.975 41.281 42.059 0.330 0.000 0.898 55 L HN 0.346 nan 8.230 nan 0.000 0.433 56 A N -1.210 121.444 122.820 -0.275 0.000 1.892 56 A HA -0.308 4.005 4.320 -0.012 0.000 0.218 56 A C 2.162 179.431 177.584 -0.526 0.000 1.188 56 A CA 2.158 53.917 52.037 -0.463 0.000 0.631 56 A CB -1.128 17.282 19.000 -0.983 0.000 0.822 56 A HN 0.678 nan 8.150 nan 0.000 0.447 57 H N -0.800 117.977 119.070 -0.490 0.000 2.387 57 H HA -0.055 4.494 4.556 -0.012 0.000 0.299 57 H C 2.368 177.446 175.328 -0.417 0.000 1.090 57 H CA 1.993 57.670 56.048 -0.619 0.000 1.332 57 H CB -0.186 28.942 29.762 -1.057 0.000 1.386 57 H HN 0.482 nan 8.280 nan 0.000 0.516 58 T N -0.344 114.183 114.554 -0.045 0.000 2.708 58 T HA -0.137 4.206 4.350 -0.012 0.000 0.266 58 T C 2.248 177.129 174.700 0.301 0.000 1.037 58 T CA 1.400 63.651 62.100 0.251 0.000 1.146 58 T CB -0.410 68.660 68.868 0.337 0.000 0.865 58 T HN 0.097 nan 8.240 nan 0.000 0.435 59 V N 1.531 121.578 119.914 0.222 0.000 2.379 59 V HA -0.101 4.012 4.120 -0.012 0.000 0.245 59 V C 2.632 178.904 176.094 0.296 0.000 1.044 59 V CA 1.484 63.942 62.300 0.263 0.000 1.036 59 V CB -0.641 31.330 31.823 0.247 0.000 0.664 59 V HN 0.368 nan 8.190 nan 0.000 0.453 60 R N 0.331 120.954 120.500 0.206 0.000 2.117 60 R HA -0.234 4.099 4.340 -0.012 0.000 0.243 60 R C 1.924 178.327 176.300 0.171 0.000 1.143 60 R CA 2.160 58.369 56.100 0.181 0.000 0.968 60 R CB -0.454 29.778 30.300 -0.114 0.000 0.863 60 R HN 0.478 nan 8.270 nan 0.000 0.444 61 D N -0.212 120.285 120.400 0.160 0.000 2.182 61 D HA -0.168 4.465 4.640 -0.012 0.000 0.201 61 D C 1.672 177.998 176.300 0.043 0.000 0.986 61 D CA 1.132 55.200 54.000 0.113 0.000 0.847 61 D CB -0.375 40.490 40.800 0.109 0.000 0.942 61 D HN 0.488 nan 8.370 nan 0.000 0.467 62 H N -0.388 118.746 119.070 0.106 0.000 2.524 62 H HA 0.071 4.621 4.556 -0.011 0.000 0.282 62 H C 2.121 177.490 175.328 0.068 0.000 1.016 62 H CA 0.333 56.428 56.048 0.077 0.000 1.270 62 H CB 0.432 30.232 29.762 0.063 0.000 1.394 62 H HN 0.197 nan 8.280 nan 0.000 0.568 63 L N 0.564 121.897 121.223 0.182 0.000 2.209 63 L HA -0.094 4.239 4.340 -0.012 0.000 0.207 63 L C 2.731 179.711 176.870 0.182 0.000 1.094 63 L CA 0.354 55.270 54.840 0.127 0.000 0.790 63 L CB -0.109 41.998 42.059 0.081 0.000 0.932 63 L HN 0.104 nan 8.230 nan 0.000 0.447 64 V N -2.510 117.528 119.914 0.207 0.000 2.343 64 V HA -0.107 4.006 4.120 -0.012 0.000 0.247 64 V C 2.363 178.564 176.094 0.179 0.000 1.051 64 V CA 1.907 64.359 62.300 0.255 0.000 1.036 64 V CB -1.810 30.124 31.823 0.185 0.000 0.654 64 V HN 0.363 nan 8.190 nan 0.000 0.451 65 G N 0.491 109.352 108.800 0.103 0.000 2.446 65 G HA2 -0.257 3.696 3.960 -0.012 0.000 0.217 65 G HA3 -0.257 3.696 3.960 -0.012 0.000 0.217 65 G C 1.761 176.704 174.900 0.072 0.000 1.168 65 G CA 1.091 46.228 45.100 0.062 0.000 0.771 65 G HN 0.544 nan 8.290 nan 0.000 0.551 66 R N -1.458 119.093 120.500 0.085 0.000 2.096 66 R HA -0.070 4.263 4.340 -0.012 0.000 0.235 66 R C 2.268 178.646 176.300 0.130 0.000 1.127 66 R CA 1.174 57.313 56.100 0.065 0.000 0.968 66 R CB -0.371 29.950 30.300 0.035 0.000 0.861 66 R HN 0.479 nan 8.270 nan 0.000 0.440 67 W N 1.526 122.805 121.300 -0.034 0.000 2.355 67 W HA -0.057 4.597 4.660 -0.011 0.000 0.309 67 W C 1.699 178.195 176.519 -0.039 0.000 1.206 67 W CA 0.886 58.210 57.345 -0.035 0.000 1.284 67 W CB -0.548 28.910 29.460 -0.003 0.000 1.145 67 W HN -0.033 nan 8.180 nan 0.000 0.502 68 I N 0.987 121.617 120.570 0.099 0.000 2.226 68 I HA -0.322 3.841 4.170 -0.012 0.000 0.245 68 I C 2.681 178.788 176.117 -0.017 0.000 1.100 68 I CA 1.986 63.266 61.300 -0.033 0.000 1.374 68 I CB -0.584 37.395 38.000 -0.034 0.000 1.057 68 I HN -0.031 nan 8.210 nan 0.000 0.413 69 R N 0.116 120.618 120.500 0.004 0.000 2.200 69 R HA 0.011 4.344 4.340 -0.012 0.000 0.208 69 R C 1.821 178.088 176.300 -0.054 0.000 1.033 69 R CA 1.152 57.245 56.100 -0.012 0.000 1.000 69 R CB -0.934 29.361 30.300 -0.008 0.000 0.906 69 R HN 0.146 nan 8.270 nan 0.000 0.462 70 T N 1.713 116.210 114.554 -0.095 0.000 2.708 70 T HA -0.095 4.248 4.350 -0.012 0.000 0.266 70 T C 1.749 176.192 174.700 -0.428 0.000 1.037 70 T CA 1.329 63.256 62.100 -0.289 0.000 1.146 70 T CB -0.092 68.639 68.868 -0.228 0.000 0.865 70 T HN 0.228 nan 8.240 nan 0.000 0.435 71 Q N 0.798 120.504 119.800 -0.157 0.000 2.167 71 Q HA -0.062 4.271 4.340 -0.012 0.000 0.202 71 Q C 2.315 178.347 176.000 0.053 0.000 0.970 71 Q CA 1.222 57.014 55.803 -0.018 0.000 0.855 71 Q CB -0.484 28.273 28.738 0.032 0.000 0.911 71 Q HN 0.480 nan 8.270 nan 0.000 0.438 72 Q N 0.053 119.866 119.800 0.021 0.000 2.079 72 Q HA -0.179 4.154 4.340 -0.012 0.000 0.200 72 Q C 1.924 178.000 176.000 0.126 0.000 0.974 72 Q CA 1.845 57.692 55.803 0.074 0.000 0.840 72 Q CB -0.353 28.407 28.738 0.037 0.000 0.898 72 Q HN 0.563 nan 8.270 nan 0.000 0.430 73 H N -1.170 117.872 119.070 -0.046 0.000 2.319 73 H HA -0.200 4.350 4.556 -0.012 0.000 0.297 73 H C 1.175 176.563 175.328 0.099 0.000 1.097 73 H CA 2.320 58.349 56.048 -0.032 0.000 1.285 73 H CB -0.204 29.468 29.762 -0.149 0.000 1.368 73 H HN 0.360 nan 8.280 nan 0.000 0.495 74 Y N -1.252 119.127 120.300 0.133 0.000 2.293 74 Y HA -0.166 4.377 4.550 -0.012 0.000 0.291 74 Y C 2.359 178.299 175.900 0.066 0.000 1.137 74 Y CA 0.929 59.075 58.100 0.076 0.000 1.202 74 Y CB -1.238 37.310 38.460 0.148 0.000 0.990 74 Y HN 0.358 nan 8.280 nan 0.000 0.537 75 Y N 1.218 121.609 120.300 0.152 0.000 2.200 75 Y HA -0.173 4.370 4.550 -0.012 0.000 0.290 75 Y C 2.168 178.080 175.900 0.019 0.000 1.137 75 Y CA 1.720 59.867 58.100 0.078 0.000 1.163 75 Y CB 0.006 38.502 38.460 0.060 0.000 0.988 75 Y HN 0.007 nan 8.280 nan 0.000 0.518 76 E N 0.267 120.501 120.200 0.057 0.000 2.072 76 E HA -0.158 4.185 4.350 -0.012 0.000 0.190 76 E C 1.989 178.508 176.600 -0.134 0.000 0.982 76 E CA 1.174 57.547 56.400 -0.045 0.000 0.803 76 E CB -0.209 29.491 29.700 0.001 0.000 0.755 76 E HN 0.495 nan 8.360 nan 0.000 0.453 77 K N 0.562 120.860 120.400 -0.170 0.000 2.305 77 K HA -0.069 4.244 4.320 -0.012 0.000 0.199 77 K C -0.018 176.516 176.600 -0.109 0.000 1.047 77 K CA 0.308 56.495 56.287 -0.166 0.000 0.976 77 K CB 0.080 32.423 32.500 -0.262 0.000 0.765 77 K HN -0.051 nan 8.250 nan 0.000 0.474 78 D N 1.197 121.534 120.400 -0.104 0.000 2.740 78 D HA -0.106 4.527 4.640 -0.012 0.000 0.231 78 D C -2.439 173.823 176.300 -0.063 0.000 1.194 78 D CA 0.172 54.113 54.000 -0.099 0.000 0.673 78 D CB -0.095 40.610 40.800 -0.157 0.000 0.995 78 D HN 0.178 nan 8.370 nan 0.000 0.411 79 P HA 0.110 nan 4.420 nan 0.000 0.277 79 P C -0.092 177.165 177.300 -0.073 0.000 1.271 79 P CA -0.593 62.472 63.100 -0.058 0.000 0.795 79 P CB 0.599 32.258 31.700 -0.069 0.000 1.101 80 K N 1.029 121.390 120.400 -0.066 0.000 2.451 80 K HA 0.035 4.348 4.320 -0.012 0.000 0.280 80 K C -0.051 176.458 176.600 -0.151 0.000 1.020 80 K CA 0.063 56.302 56.287 -0.081 0.000 1.008 80 K CB 0.153 32.624 32.500 -0.049 0.000 0.917 80 K HN 0.232 nan 8.250 nan 0.000 0.478 81 R N 3.764 124.154 120.500 -0.182 0.000 2.368 81 R HA 0.327 4.660 4.340 -0.012 0.000 0.302 81 R C -0.525 175.477 176.300 -0.498 0.000 1.002 81 R CA -0.460 55.443 56.100 -0.328 0.000 0.929 81 R CB 0.763 30.875 30.300 -0.313 0.000 1.073 81 R HN 0.494 nan 8.270 nan 0.000 0.464 82 I N 4.407 124.636 120.570 -0.569 0.000 2.336 82 I HA 0.222 4.385 4.170 -0.012 0.000 0.292 82 I C -0.601 175.178 176.117 -0.563 0.000 0.991 82 I CA -0.822 60.099 61.300 -0.632 0.000 1.227 82 I CB 0.876 38.400 38.000 -0.793 0.000 1.366 82 I HN 0.532 nan 8.210 nan 0.000 0.466 83 Y N 5.737 125.991 120.300 -0.077 0.000 2.388 83 Y HA 0.291 4.834 4.550 -0.011 0.000 0.328 83 Y C -0.352 175.647 175.900 0.163 0.000 0.963 83 Y CA -0.778 57.404 58.100 0.137 0.000 1.240 83 Y CB 1.115 39.625 38.460 0.083 0.000 1.118 83 Y HN 0.393 nan 8.280 nan 0.000 0.484 84 Y N 4.469 124.949 120.300 0.300 0.000 2.535 84 Y HA 0.458 5.001 4.550 -0.011 0.000 0.349 84 Y C -1.103 175.066 175.900 0.448 0.000 0.992 84 Y CA -0.849 57.442 58.100 0.317 0.000 1.248 84 Y CB 0.269 38.919 38.460 0.316 0.000 1.124 84 Y HN 0.524 nan 8.280 nan 0.000 0.520 85 L N 5.030 126.295 121.223 0.071 0.000 2.260 85 L HA 0.438 4.771 4.340 -0.012 0.000 0.289 85 L C -0.176 176.715 176.870 0.034 0.000 1.057 85 L CA 0.238 55.179 54.840 0.169 0.000 0.811 85 L CB 1.181 43.305 42.059 0.109 0.000 1.184 85 L HN 0.546 nan 8.230 nan 0.000 0.429 86 S N 2.396 118.197 115.700 0.169 0.000 2.546 86 S HA 0.524 4.987 4.470 -0.012 0.000 0.274 86 S C 0.328 175.021 174.600 0.154 0.000 1.121 86 S CA -0.521 57.678 58.200 -0.002 0.000 0.887 86 S CB 1.117 64.068 63.200 -0.416 0.000 1.094 86 S HN 0.472 nan 8.310 nan 0.000 0.474 87 L N 2.626 123.970 121.223 0.202 0.000 2.591 87 L HA 0.421 4.754 4.340 -0.012 0.000 0.228 87 L C 0.325 177.388 176.870 0.320 0.000 1.133 87 L CA 0.936 55.962 54.840 0.310 0.000 0.880 87 L CB -0.045 42.213 42.059 0.332 0.000 1.033 87 L HN 0.626 nan 8.230 nan 0.000 0.450 88 E N -1.052 119.204 120.200 0.093 0.000 2.275 88 E HA 0.399 4.742 4.350 -0.012 0.000 0.270 88 E C -1.381 175.087 176.600 -0.220 0.000 0.882 88 E CA -0.423 56.012 56.400 0.058 0.000 0.758 88 E CB 1.784 31.496 29.700 0.020 0.000 1.195 88 E HN -0.151 nan 8.360 nan 0.000 0.419 89 F N 2.253 122.309 119.950 0.176 0.000 2.610 89 F HA 0.184 4.704 4.527 -0.012 0.000 0.355 89 F C -0.758 175.126 175.800 0.141 0.000 1.140 89 F CA -0.802 57.289 58.000 0.152 0.000 1.037 89 F CB 0.935 40.017 39.000 0.136 0.000 1.287 89 F HN 0.485 nan 8.300 nan 0.000 0.457 90 Y N 5.308 125.678 120.300 0.116 0.000 2.632 90 Y HA 0.226 4.769 4.550 -0.011 0.000 0.336 90 Y C 0.844 176.760 175.900 0.027 0.000 1.237 90 Y CA -1.013 57.107 58.100 0.033 0.000 1.595 90 Y CB 0.375 38.835 38.460 -0.000 0.000 1.508 90 Y HN 0.557 nan 8.280 nan 0.000 0.480 91 M N 1.523 121.253 119.600 0.216 0.000 2.394 91 M HA 0.141 4.614 4.480 -0.012 0.000 0.266 91 M C 1.581 177.848 176.300 -0.055 0.000 1.098 91 M CA 1.032 56.363 55.300 0.051 0.000 1.149 91 M CB -1.110 31.500 32.600 0.018 0.000 1.369 91 M HN 0.693 nan 8.290 nan 0.000 0.450 92 G N 1.400 110.177 108.800 -0.038 0.000 2.552 92 G HA2 -0.280 3.673 3.960 -0.012 0.000 0.265 92 G HA3 -0.280 3.673 3.960 -0.012 0.000 0.265 92 G C -0.202 174.646 174.900 -0.087 0.000 1.234 92 G CA -0.256 44.784 45.100 -0.099 0.000 0.944 92 G HN 0.438 nan 8.290 nan 0.000 0.568 93 R N -0.562 119.867 120.500 -0.118 0.000 2.531 93 R HA 0.560 4.893 4.340 -0.012 0.000 0.273 93 R C 1.104 177.279 176.300 -0.209 0.000 1.070 93 R CA 0.305 56.343 56.100 -0.103 0.000 1.112 93 R CB 0.765 31.014 30.300 -0.086 0.000 1.049 93 R HN 0.528 nan 8.270 nan 0.000 0.508 94 T N 1.295 115.668 114.554 -0.301 0.000 3.000 94 T HA -0.012 4.331 4.350 -0.012 0.000 0.248 94 T C 1.479 175.775 174.700 -0.672 0.000 1.034 94 T CA -0.104 61.606 62.100 -0.650 0.000 1.060 94 T CB 0.116 68.229 68.868 -1.259 0.000 0.983 94 T HN 0.313 nan 8.240 nan 0.000 0.482 95 L N 1.889 122.934 121.223 -0.298 0.000 1.970 95 L HA -0.055 4.278 4.340 -0.012 0.000 0.212 95 L C 2.498 179.325 176.870 -0.071 0.000 1.071 95 L CA 1.992 56.823 54.840 -0.015 0.000 0.751 95 L CB -0.620 41.657 42.059 0.364 0.000 0.889 95 L HN 0.182 nan 8.230 nan 0.000 0.432 96 Q N -0.889 118.870 119.800 -0.069 0.000 2.119 96 Q HA -0.238 4.095 4.340 -0.012 0.000 0.201 96 Q C 2.190 178.115 176.000 -0.126 0.000 0.972 96 Q CA 1.688 57.446 55.803 -0.075 0.000 0.847 96 Q CB -0.271 28.422 28.738 -0.075 0.000 0.903 96 Q HN 0.684 nan 8.270 nan 0.000 0.433 97 N N -0.910 117.674 118.700 -0.193 0.000 2.166 97 N HA -0.134 4.599 4.740 -0.012 0.000 0.186 97 N C 1.313 176.709 175.510 -0.190 0.000 1.019 97 N CA 1.702 54.627 53.050 -0.207 0.000 0.856 97 N CB 0.112 38.442 38.487 -0.263 0.000 0.993 97 N HN 0.215 nan 8.380 nan 0.000 0.426 98 T N 1.280 115.687 114.554 -0.244 0.000 2.737 98 T HA -0.054 4.289 4.350 -0.012 0.000 0.265 98 T C 2.084 176.719 174.700 -0.109 0.000 1.038 98 T CA 1.029 63.006 62.100 -0.206 0.000 1.144 98 T CB -0.076 68.625 68.868 -0.278 0.000 0.866 98 T HN 0.249 nan 8.240 nan 0.000 0.434 99 M N 0.623 120.175 119.600 -0.080 0.000 2.080 99 M HA -0.105 4.368 4.480 -0.012 0.000 0.260 99 M C 2.492 178.757 176.300 -0.059 0.000 1.068 99 M CA 1.304 56.571 55.300 -0.055 0.000 1.109 99 M CB -0.708 31.874 32.600 -0.029 0.000 1.342 99 M HN 0.094 nan 8.290 nan 0.000 0.405 100 V N 1.050 120.934 119.914 -0.050 0.000 2.255 100 V HA -0.293 3.820 4.120 -0.012 0.000 0.247 100 V C 1.811 177.917 176.094 0.019 0.000 1.051 100 V CA 2.048 64.344 62.300 -0.006 0.000 1.018 100 V CB -0.871 30.946 31.823 -0.011 0.000 0.641 100 V HN 0.483 nan 8.190 nan 0.000 0.445 101 N N -0.410 118.286 118.700 -0.007 0.000 2.459 101 N HA -0.037 4.696 4.740 -0.012 0.000 0.181 101 N C 1.060 176.479 175.510 -0.152 0.000 1.046 101 N CA 0.703 53.736 53.050 -0.028 0.000 0.904 101 N CB -0.090 38.385 38.487 -0.020 0.000 0.964 101 N HN 0.288 nan 8.380 nan 0.000 0.444 102 L N -0.242 120.908 121.223 -0.122 0.000 2.640 102 L HA 0.404 4.737 4.340 -0.012 0.000 0.230 102 L C 0.640 177.431 176.870 -0.132 0.000 1.123 102 L CA -0.285 54.482 54.840 -0.121 0.000 0.900 102 L CB -0.787 41.224 42.059 -0.080 0.000 1.146 102 L HN 0.095 nan 8.230 nan 0.000 0.484 103 A N -0.502 122.237 122.820 -0.135 0.000 2.869 103 A HA -0.217 4.096 4.320 -0.012 0.000 0.280 103 A C 1.109 178.639 177.584 -0.090 0.000 1.458 103 A CA 0.920 52.891 52.037 -0.112 0.000 0.776 103 A CB -1.930 16.990 19.000 -0.133 0.000 1.028 103 A HN 0.205 nan 8.150 nan 0.000 0.547 104 L N -0.681 120.487 121.223 -0.092 0.000 2.640 104 L HA 0.232 4.565 4.340 -0.012 0.000 0.230 104 L C 1.851 178.683 176.870 -0.064 0.000 1.123 104 L CA 1.606 56.385 54.840 -0.102 0.000 0.900 104 L CB -0.422 41.545 42.059 -0.153 0.000 1.146 104 L HN 0.663 nan 8.230 nan 0.000 0.484 105 E N -0.196 119.976 120.200 -0.046 0.000 2.031 105 E HA -0.223 4.120 4.350 -0.012 0.000 0.193 105 E C 1.616 178.202 176.600 -0.023 0.000 0.994 105 E CA 1.294 57.677 56.400 -0.028 0.000 0.800 105 E CB 0.292 29.978 29.700 -0.023 0.000 0.752 105 E HN 0.387 nan 8.360 nan 0.000 0.447 106 N N 0.252 118.936 118.700 -0.027 0.000 2.120 106 N HA -0.138 4.595 4.740 -0.012 0.000 0.188 106 N C 1.610 177.107 175.510 -0.023 0.000 1.024 106 N CA 1.281 54.316 53.050 -0.026 0.000 0.852 106 N CB -0.472 37.999 38.487 -0.026 0.000 1.003 106 N HN 0.237 nan 8.380 nan 0.000 0.424 107 A N 0.584 123.388 122.820 -0.026 0.000 1.865 107 A HA -0.182 4.131 4.320 -0.012 0.000 0.217 107 A C 2.688 180.265 177.584 -0.012 0.000 1.191 107 A CA 1.615 53.639 52.037 -0.020 0.000 0.623 107 A CB -1.127 17.853 19.000 -0.034 0.000 0.826 107 A HN 0.462 nan 8.150 nan 0.000 0.444 108 C N -0.918 118.374 119.300 -0.014 0.000 2.440 108 C HA -0.063 4.390 4.460 -0.012 0.000 0.278 108 C C 2.466 177.458 174.990 0.003 0.000 1.295 108 C CA 1.102 60.123 59.018 0.004 0.000 1.738 108 C CB -1.209 26.543 27.740 0.020 0.000 1.987 108 C HN 0.727 nan 8.230 nan 0.000 0.492 109 D N 0.769 121.169 120.400 0.001 0.000 2.097 109 D HA -0.150 4.483 4.640 -0.012 0.000 0.195 109 D C 2.114 178.427 176.300 0.022 0.000 0.989 109 D CA 1.607 55.610 54.000 0.004 0.000 0.827 109 D CB -0.239 40.552 40.800 -0.014 0.000 0.966 109 D HN 0.465 nan 8.370 nan 0.000 0.456 110 E N 0.224 120.432 120.200 0.014 0.000 2.031 110 E HA -0.076 4.267 4.350 -0.012 0.000 0.193 110 E C 1.920 178.560 176.600 0.067 0.000 0.994 110 E CA 1.713 58.143 56.400 0.050 0.000 0.800 110 E CB -0.695 29.018 29.700 0.022 0.000 0.752 110 E HN 0.221 nan 8.360 nan 0.000 0.447 111 A N -0.125 122.703 122.820 0.012 0.000 1.892 111 A HA -0.246 4.067 4.320 -0.012 0.000 0.218 111 A C 2.503 180.020 177.584 -0.112 0.000 1.188 111 A CA 3.072 55.090 52.037 -0.033 0.000 0.631 111 A CB -1.515 17.469 19.000 -0.025 0.000 0.822 111 A HN 0.540 nan 8.150 nan 0.000 0.447 112 T N -3.906 110.575 114.554 -0.122 0.000 2.904 112 T HA -0.181 4.162 4.350 -0.012 0.000 0.267 112 T C 1.833 176.455 174.700 -0.130 0.000 1.059 112 T CA 1.423 63.389 62.100 -0.222 0.000 1.137 112 T CB -0.574 68.193 68.868 -0.167 0.000 0.879 112 T HN 0.453 nan 8.240 nan 0.000 0.467 113 Y N 2.361 122.582 120.300 -0.131 0.000 2.128 113 Y HA -0.160 4.384 4.550 -0.011 0.000 0.284 113 Y C 2.621 178.460 175.900 -0.101 0.000 1.154 113 Y CA 1.686 59.727 58.100 -0.098 0.000 1.149 113 Y CB -0.592 37.829 38.460 -0.064 0.000 0.976 113 Y HN 0.256 nan 8.280 nan 0.000 0.505 114 Q N -0.967 118.739 119.800 -0.156 0.000 2.224 114 Q HA -0.137 4.196 4.340 -0.012 0.000 0.203 114 Q C 1.673 177.535 176.000 -0.230 0.000 0.970 114 Q CA 1.017 56.691 55.803 -0.214 0.000 0.865 114 Q CB -0.123 28.573 28.738 -0.071 0.000 0.922 114 Q HN 0.353 nan 8.270 nan 0.000 0.445 115 L N -0.778 120.299 121.223 -0.243 0.000 2.610 115 L HA 0.092 4.425 4.340 -0.012 0.000 0.232 115 L C 1.191 177.899 176.870 -0.271 0.000 1.149 115 L CA 1.389 56.072 54.840 -0.261 0.000 0.872 115 L CB -0.584 41.236 42.059 -0.398 0.000 0.992 115 L HN 0.355 nan 8.230 nan 0.000 0.447 116 G N -0.467 108.155 108.800 -0.297 0.000 2.149 116 G HA2 -0.244 3.709 3.960 -0.012 0.000 0.235 116 G HA3 -0.244 3.709 3.960 -0.012 0.000 0.235 116 G C 0.104 174.869 174.900 -0.224 0.000 1.018 116 G CA 0.267 45.205 45.100 -0.270 0.000 0.728 116 G HN 0.291 nan 8.290 nan 0.000 0.508 117 L N -0.366 120.723 121.223 -0.224 0.000 2.333 117 L HA 0.660 4.993 4.340 -0.012 0.000 0.269 117 L C -0.545 176.293 176.870 -0.052 0.000 1.010 117 L CA -1.193 53.543 54.840 -0.173 0.000 0.818 117 L CB 1.823 43.714 42.059 -0.279 0.000 1.306 117 L HN 0.067 nan 8.230 nan 0.000 0.430 118 D N 1.518 121.914 120.400 -0.007 0.000 2.373 118 D HA 0.211 4.844 4.640 -0.012 0.000 0.227 118 D C 0.577 176.903 176.300 0.044 0.000 1.091 118 D CA -0.266 53.758 54.000 0.040 0.000 0.840 118 D CB 1.601 42.430 40.800 0.048 0.000 1.060 118 D HN 0.484 nan 8.370 nan 0.000 0.502 119 M N 2.992 122.620 119.600 0.045 0.000 2.159 119 M HA -0.134 4.339 4.480 -0.012 0.000 0.263 119 M C 1.372 177.712 176.300 0.067 0.000 1.063 119 M CA 1.513 56.848 55.300 0.060 0.000 1.110 119 M CB 0.209 32.837 32.600 0.048 0.000 1.374 119 M HN 0.442 nan 8.290 nan 0.000 0.411 120 E N -0.214 120.016 120.200 0.050 0.000 2.110 120 E HA -0.258 4.085 4.350 -0.012 0.000 0.193 120 E C 1.852 178.482 176.600 0.051 0.000 0.988 120 E CA 1.369 57.795 56.400 0.045 0.000 0.804 120 E CB -0.135 29.588 29.700 0.039 0.000 0.745 120 E HN 0.619 nan 8.360 nan 0.000 0.458 121 E N 0.347 120.581 120.200 0.058 0.000 2.106 121 E HA -0.192 4.151 4.350 -0.012 0.000 0.192 121 E C 1.929 178.568 176.600 0.065 0.000 0.984 121 E CA 0.566 57.002 56.400 0.059 0.000 0.806 121 E CB 0.185 29.923 29.700 0.062 0.000 0.750 121 E HN 0.084 nan 8.360 nan 0.000 0.458 122 L N 1.381 122.663 121.223 0.098 0.000 2.093 122 L HA -0.124 4.209 4.340 -0.012 0.000 0.208 122 L C 2.073 179.002 176.870 0.099 0.000 1.085 122 L CA 1.600 56.531 54.840 0.151 0.000 0.755 122 L CB -0.665 41.534 42.059 0.233 0.000 0.904 122 L HN 0.123 nan 8.230 nan 0.000 0.435 123 E N -0.663 119.585 120.200 0.080 0.000 2.153 123 E HA -0.200 4.143 4.350 -0.012 0.000 0.194 123 E C 1.823 178.384 176.600 -0.065 0.000 0.988 123 E CA 0.828 57.248 56.400 0.032 0.000 0.811 123 E CB 0.021 29.743 29.700 0.037 0.000 0.746 123 E HN 0.395 nan 8.360 nan 0.000 0.466 124 E N 0.173 120.348 120.200 -0.042 0.000 2.409 124 E HA -0.110 4.233 4.350 -0.012 0.000 0.198 124 E C 1.812 178.346 176.600 -0.110 0.000 1.024 124 E CA 0.545 56.919 56.400 -0.043 0.000 0.861 124 E CB 0.072 29.782 29.700 0.017 0.000 0.788 124 E HN 0.403 nan 8.360 nan 0.000 0.521 125 I N 0.708 121.146 120.570 -0.220 0.000 2.716 125 I HA -0.090 4.073 4.170 -0.012 0.000 0.259 125 I C 1.355 177.161 176.117 -0.518 0.000 1.172 125 I CA 0.206 61.307 61.300 -0.332 0.000 1.478 125 I CB 0.152 37.953 38.000 -0.332 0.000 1.104 125 I HN -0.044 nan 8.210 nan 0.000 0.439 126 E N 2.747 122.517 120.200 -0.718 0.000 2.415 126 E HA -0.046 4.297 4.350 -0.012 0.000 0.263 126 E C -0.244 176.267 176.600 -0.148 0.000 0.995 126 E CA -0.194 55.864 56.400 -0.570 0.000 0.915 126 E CB 0.590 30.072 29.700 -0.363 0.000 0.951 126 E HN 0.097 nan 8.360 nan 0.000 0.449 127 E N 3.436 123.645 120.200 0.016 0.000 2.354 127 E HA 0.047 4.390 4.350 -0.012 0.000 0.269 127 E C -0.802 175.897 176.600 0.165 0.000 1.036 127 E CA -0.154 56.337 56.400 0.152 0.000 0.876 127 E CB 0.644 30.530 29.700 0.310 0.000 1.009 127 E HN 0.473 nan 8.360 nan 0.000 0.416 128 D N 0.871 121.338 120.400 0.111 0.000 2.458 128 D HA 0.130 4.763 4.640 -0.012 0.000 0.243 128 D C -0.267 176.055 176.300 0.037 0.000 1.146 128 D CA 0.222 54.259 54.000 0.062 0.000 0.877 128 D CB 0.542 41.363 40.800 0.036 0.000 1.176 128 D HN 0.379 nan 8.370 nan 0.000 0.461 129 A N 2.746 125.537 122.820 -0.049 0.000 2.666 129 A HA 0.438 4.751 4.320 -0.012 0.000 0.301 129 A C 1.096 178.509 177.584 -0.286 0.000 1.470 129 A CA -0.333 51.452 52.037 -0.419 0.000 1.159 129 A CB -0.306 18.523 19.000 -0.286 0.000 1.116 129 A HN 0.565 nan 8.150 nan 0.000 0.548 130 G N 2.206 110.786 108.800 -0.367 0.000 3.741 130 G HA2 0.412 4.365 3.960 -0.012 0.000 0.263 130 G HA3 0.412 4.365 3.960 -0.012 0.000 0.263 130 G C 0.330 174.997 174.900 -0.388 0.000 1.175 130 G CA -0.332 44.645 45.100 -0.206 0.000 1.642 130 G HN 0.706 nan 8.290 nan 0.000 0.644 131 L N 1.237 122.289 121.223 -0.284 0.000 2.862 131 L HA 0.374 4.707 4.340 -0.012 0.000 0.240 131 L C 1.057 177.855 176.870 -0.120 0.000 1.283 131 L CA -0.204 54.571 54.840 -0.108 0.000 1.117 131 L CB -0.351 41.768 42.059 0.101 0.000 1.444 131 L HN 0.321 nan 8.230 nan 0.000 0.456 132 G N -1.321 107.175 108.800 -0.506 0.000 2.660 132 G HA2 0.212 4.165 3.960 -0.012 0.000 0.290 132 G HA3 0.212 4.165 3.960 -0.012 0.000 0.290 132 G C -0.151 174.284 174.900 -0.775 0.000 1.432 132 G CA -0.449 44.338 45.100 -0.521 0.000 0.807 132 G HN -0.105 nan 8.290 nan 0.000 0.485 133 N N -0.799 117.679 118.700 -0.370 0.000 2.368 133 N HA 0.205 4.938 4.740 -0.012 0.000 0.178 133 N C 1.149 176.641 175.510 -0.030 0.000 1.021 133 N CA 1.319 54.240 53.050 -0.215 0.000 0.875 133 N CB 1.131 39.591 38.487 -0.045 0.000 1.020 133 N HN 0.807 nan 8.380 nan 0.000 0.433 134 G N -0.776 108.088 108.800 0.107 0.000 2.818 134 G HA2 0.228 4.181 3.960 -0.012 0.000 0.109 134 G HA3 0.228 4.181 3.960 -0.012 0.000 0.109 134 G C 0.678 175.686 174.900 0.181 0.000 1.206 134 G CA 0.242 45.479 45.100 0.228 0.000 1.243 134 G HN 0.157 nan 8.290 nan 0.000 0.609 135 G N 0.317 109.170 108.800 0.089 0.000 2.418 135 G HA2 -0.046 3.907 3.960 -0.012 0.000 0.217 135 G HA3 -0.046 3.907 3.960 -0.012 0.000 0.217 135 G C 1.855 176.735 174.900 -0.034 0.000 1.158 135 G CA 1.460 46.575 45.100 0.026 0.000 0.771 135 G HN 0.772 nan 8.290 nan 0.000 0.545 136 L N 0.520 121.694 121.223 -0.081 0.000 2.056 136 L HA 0.145 4.478 4.340 -0.012 0.000 0.207 136 L C 2.761 179.547 176.870 -0.140 0.000 1.078 136 L CA 1.839 56.535 54.840 -0.241 0.000 0.749 136 L CB -0.514 41.354 42.059 -0.319 0.000 0.901 136 L HN 0.212 nan 8.230 nan 0.000 0.433 137 G N -0.606 108.178 108.800 -0.027 0.000 2.408 137 G HA2 -0.240 3.713 3.960 -0.012 0.000 0.217 137 G HA3 -0.240 3.713 3.960 -0.012 0.000 0.217 137 G C 1.689 176.655 174.900 0.109 0.000 1.150 137 G CA 0.256 45.372 45.100 0.028 0.000 0.776 137 G HN 0.184 nan 8.290 nan 0.000 0.542 138 R N 0.108 120.693 120.500 0.142 0.000 2.090 138 R HA 0.111 4.444 4.340 -0.012 0.000 0.228 138 R C 2.448 178.742 176.300 -0.010 0.000 1.110 138 R CA 0.655 56.811 56.100 0.094 0.000 0.973 138 R CB -1.022 29.300 30.300 0.037 0.000 0.869 138 R HN 0.386 nan 8.270 nan 0.000 0.440 139 L N 0.704 121.849 121.223 -0.129 0.000 2.042 139 L HA -0.112 4.221 4.340 -0.012 0.000 0.210 139 L C 2.186 178.735 176.870 -0.534 0.000 1.076 139 L CA 2.265 56.874 54.840 -0.384 0.000 0.749 139 L CB -0.786 41.011 42.059 -0.437 0.000 0.893 139 L HN 0.200 nan 8.230 nan 0.000 0.432 140 A N -0.766 121.888 122.820 -0.277 0.000 1.940 140 A HA -0.145 4.168 4.320 -0.012 0.000 0.219 140 A C 2.424 180.056 177.584 0.080 0.000 1.176 140 A CA 1.888 53.834 52.037 -0.152 0.000 0.631 140 A CB -1.105 17.787 19.000 -0.180 0.000 0.814 140 A HN 0.573 nan 8.150 nan 0.000 0.446 141 A N -1.189 121.713 122.820 0.136 0.000 1.897 141 A HA -0.124 4.189 4.320 -0.012 0.000 0.215 141 A C 2.286 179.943 177.584 0.121 0.000 1.181 141 A CA 1.545 53.690 52.037 0.180 0.000 0.620 141 A CB -1.221 17.875 19.000 0.159 0.000 0.821 141 A HN 0.585 nan 8.150 nan 0.000 0.443 142 C N -1.394 117.978 119.300 0.120 0.000 2.425 142 C HA -0.059 4.394 4.460 -0.012 0.000 0.277 142 C C 2.411 177.566 174.990 0.276 0.000 1.280 142 C CA 0.569 59.697 59.018 0.185 0.000 1.744 142 C CB -1.609 26.261 27.740 0.216 0.000 1.989 142 C HN 0.600 nan 8.230 nan 0.000 0.491 143 F N 1.121 121.048 119.950 -0.039 0.000 2.146 143 F HA -0.041 4.479 4.527 -0.012 0.000 0.298 143 F C 2.227 177.967 175.800 -0.101 0.000 1.096 143 F CA 1.015 58.939 58.000 -0.126 0.000 1.275 143 F CB -1.333 37.447 39.000 -0.367 0.000 1.008 143 F HN 0.179 nan 8.300 nan 0.000 0.480 144 L N -0.367 120.931 121.223 0.124 0.000 2.042 144 L HA -0.257 4.076 4.340 -0.012 0.000 0.210 144 L C 2.144 179.022 176.870 0.014 0.000 1.076 144 L CA 1.968 56.836 54.840 0.047 0.000 0.749 144 L CB -0.787 41.299 42.059 0.044 0.000 0.893 144 L HN 0.112 nan 8.230 nan 0.000 0.432 145 D N -0.475 119.943 120.400 0.030 0.000 2.097 145 D HA -0.175 4.458 4.640 -0.012 0.000 0.195 145 D C 2.202 178.513 176.300 0.019 0.000 0.989 145 D CA 1.516 55.519 54.000 0.005 0.000 0.827 145 D CB 0.198 40.998 40.800 0.000 0.000 0.966 145 D HN 0.088 nan 8.370 nan 0.000 0.456 146 S N -0.704 115.023 115.700 0.046 0.000 2.383 146 S HA -0.103 4.360 4.470 -0.012 0.000 0.227 146 S C 1.985 176.592 174.600 0.013 0.000 1.026 146 S CA 0.831 59.050 58.200 0.031 0.000 0.981 146 S CB -0.213 63.009 63.200 0.037 0.000 0.818 146 S HN 0.343 nan 8.310 nan 0.000 0.472 147 M N 0.969 120.571 119.600 0.002 0.000 2.159 147 M HA -0.093 4.380 4.480 -0.012 0.000 0.263 147 M C 2.456 178.754 176.300 -0.003 0.000 1.063 147 M CA 1.428 56.726 55.300 -0.002 0.000 1.110 147 M CB -0.505 32.077 32.600 -0.030 0.000 1.374 147 M HN 0.397 nan 8.290 nan 0.000 0.411 148 A N -0.268 122.546 122.820 -0.010 0.000 1.897 148 A HA -0.111 4.202 4.320 -0.012 0.000 0.215 148 A C 2.168 179.761 177.584 0.014 0.000 1.181 148 A CA 1.964 53.998 52.037 -0.006 0.000 0.620 148 A CB -1.060 17.919 19.000 -0.035 0.000 0.821 148 A HN 0.410 nan 8.150 nan 0.000 0.443 149 T N 0.310 114.878 114.554 0.023 0.000 2.833 149 T HA -0.024 4.319 4.350 -0.012 0.000 0.269 149 T C 1.317 176.042 174.700 0.042 0.000 1.054 149 T CA 1.184 63.312 62.100 0.047 0.000 1.135 149 T CB -0.275 68.629 68.868 0.060 0.000 0.869 149 T HN 0.333 nan 8.240 nan 0.000 0.466 150 L N 0.449 121.693 121.223 0.035 0.000 2.653 150 L HA 0.307 4.640 4.340 -0.012 0.000 0.231 150 L C 1.583 178.480 176.870 0.045 0.000 1.153 150 L CA -0.120 54.744 54.840 0.039 0.000 0.933 150 L CB -0.351 41.731 42.059 0.038 0.000 1.175 150 L HN 0.390 nan 8.230 nan 0.000 0.473 151 G N 1.138 109.967 108.800 0.048 0.000 2.249 151 G HA2 -0.288 3.665 3.960 -0.012 0.000 0.273 151 G HA3 -0.288 3.665 3.960 -0.012 0.000 0.273 151 G C 0.109 175.058 174.900 0.082 0.000 1.036 151 G CA 0.068 45.212 45.100 0.075 0.000 0.824 151 G HN 0.288 nan 8.290 nan 0.000 0.504 152 L N -0.204 121.039 121.223 0.033 0.000 2.350 152 L HA 0.602 4.935 4.340 -0.012 0.000 0.275 152 L C 1.206 177.971 176.870 -0.174 0.000 1.099 152 L CA -0.349 54.466 54.840 -0.041 0.000 0.808 152 L CB 1.541 43.584 42.059 -0.027 0.000 1.149 152 L HN 0.265 nan 8.230 nan 0.000 0.442 153 A N 3.027 125.606 122.820 -0.403 0.000 2.990 153 A HA 0.574 4.887 4.320 -0.012 0.000 0.282 153 A C 0.236 177.472 177.584 -0.579 0.000 1.688 153 A CA -0.153 51.352 52.037 -0.888 0.000 1.391 153 A CB -0.633 17.704 19.000 -1.104 0.000 1.112 153 A HN 0.697 nan 8.150 nan 0.000 0.588 154 A N 1.663 124.183 122.820 -0.498 0.000 2.355 154 A HA 0.798 5.111 4.320 -0.012 0.000 0.324 154 A C -1.091 176.228 177.584 -0.442 0.000 1.117 154 A CA -0.474 51.341 52.037 -0.370 0.000 0.785 154 A CB 0.852 19.708 19.000 -0.239 0.000 1.254 154 A HN 0.626 nan 8.150 nan 0.000 0.453 155 Y N 0.387 120.623 120.300 -0.107 0.000 2.361 155 Y HA 0.529 5.073 4.550 -0.011 0.000 0.337 155 Y C 0.870 176.842 175.900 0.121 0.000 0.965 155 Y CA -0.538 57.568 58.100 0.010 0.000 1.091 155 Y CB 2.384 40.944 38.460 0.167 0.000 1.182 155 Y HN 0.839 nan 8.280 nan 0.000 0.450 156 G N 2.346 111.206 108.800 0.101 0.000 2.339 156 G HA2 0.411 4.364 3.960 -0.012 0.000 0.287 156 G HA3 0.411 4.364 3.960 -0.012 0.000 0.287 156 G C -1.661 173.223 174.900 -0.025 0.000 1.163 156 G CA -0.177 45.001 45.100 0.131 0.000 0.872 156 G HN 0.525 nan 8.290 nan 0.000 0.464 157 Y N 1.201 121.732 120.300 0.386 0.000 2.350 157 Y HA 0.621 5.164 4.550 -0.012 0.000 0.338 157 Y C 0.768 176.994 175.900 0.544 0.000 0.961 157 Y CA 0.206 58.510 58.100 0.341 0.000 1.100 157 Y CB 2.605 41.279 38.460 0.358 0.000 1.179 157 Y HN 0.869 nan 8.280 nan 0.000 0.454 158 G N 2.331 111.477 108.800 0.577 0.000 2.772 158 G HA2 0.606 4.559 3.960 -0.012 0.000 0.284 158 G HA3 0.606 4.559 3.960 -0.012 0.000 0.284 158 G C -1.740 173.410 174.900 0.416 0.000 1.217 158 G CA -0.814 44.645 45.100 0.599 0.000 0.831 158 G HN 0.412 nan 8.290 nan 0.000 0.523 159 I N 0.511 121.217 120.570 0.226 0.000 2.474 159 I HA 0.441 4.604 4.170 -0.012 0.000 0.294 159 I C 0.225 176.238 176.117 -0.173 0.000 1.005 159 I CA -0.730 60.585 61.300 0.025 0.000 1.113 159 I CB 2.314 40.163 38.000 -0.251 0.000 1.289 159 I HN 0.342 nan 8.210 nan 0.000 0.436 160 R N 6.013 126.514 120.500 0.002 0.000 2.608 160 R HA 0.236 4.569 4.340 -0.012 0.000 0.277 160 R C -1.246 175.090 176.300 0.060 0.000 1.341 160 R CA -0.417 55.717 56.100 0.056 0.000 1.199 160 R CB -0.042 30.277 30.300 0.032 0.000 1.156 160 R HN 0.404 nan 8.270 nan 0.000 0.558 161 Y N 1.390 121.850 120.300 0.266 0.000 2.511 161 Y HA -0.075 4.468 4.550 -0.012 0.000 0.332 161 Y C 1.600 177.675 175.900 0.292 0.000 1.177 161 Y CA 0.027 58.272 58.100 0.242 0.000 1.422 161 Y CB 0.769 39.350 38.460 0.203 0.000 1.271 161 Y HN 0.584 nan 8.280 nan 0.000 0.550 162 E N 2.003 122.375 120.200 0.286 0.000 2.107 162 E HA -0.061 4.282 4.350 -0.012 0.000 0.191 162 E C -0.750 175.726 176.600 -0.206 0.000 0.982 162 E CA 0.712 57.076 56.400 -0.059 0.000 0.809 162 E CB 0.170 29.743 29.700 -0.212 0.000 0.756 162 E HN 0.511 nan 8.360 nan 0.000 0.459 163 F N -0.237 119.926 119.950 0.355 0.000 2.477 163 F HA 0.449 4.969 4.527 -0.012 0.000 0.335 163 F C 0.773 176.665 175.800 0.152 0.000 1.130 163 F CA -0.857 57.311 58.000 0.281 0.000 0.948 163 F CB 1.870 40.965 39.000 0.158 0.000 1.154 163 F HN -0.096 nan 8.300 nan 0.000 0.439 164 G N 1.839 110.755 108.800 0.192 0.000 2.531 164 G HA2 0.341 4.294 3.960 -0.012 0.000 0.253 164 G HA3 0.341 4.294 3.960 -0.012 0.000 0.253 164 G C -0.479 174.379 174.900 -0.070 0.000 1.439 164 G CA -0.689 44.363 45.100 -0.080 0.000 1.056 164 G HN 0.557 nan 8.290 nan 0.000 0.555 165 I N 0.832 121.280 120.570 -0.204 0.000 2.775 165 I HA 0.179 4.342 4.170 -0.012 0.000 0.290 165 I C 0.537 176.566 176.117 -0.148 0.000 1.203 165 I CA -1.017 60.138 61.300 -0.241 0.000 1.433 165 I CB -0.259 37.493 38.000 -0.413 0.000 1.354 165 I HN 0.325 nan 8.210 nan 0.000 0.579 166 F N 6.189 126.150 119.950 0.018 0.000 2.595 166 F HA 0.256 4.776 4.527 -0.011 0.000 0.359 166 F C 0.578 176.429 175.800 0.086 0.000 1.147 166 F CA -0.669 57.364 58.000 0.056 0.000 1.341 166 F CB -0.388 38.635 39.000 0.038 0.000 1.104 166 F HN 0.418 nan 8.300 nan 0.000 0.603 167 N N 2.632 121.496 118.700 0.274 0.000 2.475 167 N HA 0.004 4.737 4.740 -0.012 0.000 0.267 167 N C -0.666 175.078 175.510 0.390 0.000 1.169 167 N CA -0.123 53.071 53.050 0.239 0.000 0.947 167 N CB 0.985 39.601 38.487 0.215 0.000 1.061 167 N HN 0.761 nan 8.380 nan 0.000 0.466 168 Q N 2.627 122.630 119.800 0.337 0.000 2.296 168 Q HA 0.155 4.488 4.340 -0.012 0.000 0.257 168 Q C -0.942 175.232 176.000 0.291 0.000 0.942 168 Q CA -0.399 55.646 55.803 0.404 0.000 0.939 168 Q CB 0.666 29.650 28.738 0.410 0.000 1.198 168 Q HN 0.230 nan 8.270 nan 0.000 0.429 169 K N 4.284 124.833 120.400 0.249 0.000 2.207 169 K HA 0.463 4.776 4.320 -0.012 0.000 0.255 169 K C -0.637 176.071 176.600 0.180 0.000 0.941 169 K CA -0.891 55.517 56.287 0.202 0.000 0.825 169 K CB 1.559 34.155 32.500 0.161 0.000 1.119 169 K HN 0.627 nan 8.250 nan 0.000 0.430 170 I N 2.866 123.534 120.570 0.164 0.000 2.328 170 I HA 0.198 4.361 4.170 -0.012 0.000 0.287 170 I C -0.337 175.842 176.117 0.103 0.000 1.012 170 I CA -0.676 60.694 61.300 0.115 0.000 1.195 170 I CB 0.596 38.652 38.000 0.093 0.000 1.350 170 I HN 0.424 nan 8.210 nan 0.000 0.464 171 C N 4.000 123.370 119.300 0.117 0.000 2.322 171 C HA 0.596 5.049 4.460 -0.012 0.000 0.324 171 C C 1.188 176.275 174.990 0.163 0.000 1.249 171 C CA -0.624 58.467 59.018 0.121 0.000 1.453 171 C CB 0.466 28.275 27.740 0.115 0.000 2.145 171 C HN 1.084 nan 8.230 nan 0.000 0.466 172 G N 2.312 111.178 108.800 0.110 0.000 2.249 172 G HA2 0.136 4.089 3.960 -0.012 0.000 0.273 172 G HA3 0.136 4.089 3.960 -0.012 0.000 0.273 172 G C 1.114 176.005 174.900 -0.015 0.000 1.036 172 G CA 1.006 46.170 45.100 0.107 0.000 0.824 172 G HN 2.386 nan 8.290 nan 0.000 0.504 173 G N -2.736 106.004 108.800 -0.100 0.000 2.225 173 G HA2 -0.296 3.657 3.960 -0.012 0.000 0.254 173 G HA3 -0.296 3.657 3.960 -0.012 0.000 0.254 173 G C 0.425 175.070 174.900 -0.426 0.000 0.988 173 G CA 0.563 45.476 45.100 -0.312 0.000 0.625 173 G HN 1.175 nan 8.290 nan 0.000 0.527 174 W N 1.409 122.664 121.300 -0.076 0.000 2.376 174 W HA 0.645 5.298 4.660 -0.011 0.000 0.322 174 W C 0.748 177.226 176.519 -0.068 0.000 1.160 174 W CA -0.749 56.548 57.345 -0.080 0.000 1.218 174 W CB 0.746 30.174 29.460 -0.053 0.000 1.205 174 W HN 0.273 nan 8.180 nan 0.000 0.559 175 Q N 3.430 123.337 119.800 0.177 0.000 2.289 175 Q HA 0.159 4.492 4.340 -0.012 0.000 0.273 175 Q C -0.535 175.534 176.000 0.115 0.000 1.029 175 Q CA 0.186 56.068 55.803 0.132 0.000 0.896 175 Q CB 0.505 29.316 28.738 0.121 0.000 1.182 175 Q HN 0.317 nan 8.270 nan 0.000 0.385 176 M N 3.212 122.873 119.600 0.102 0.000 2.456 176 M HA 0.380 4.853 4.480 -0.012 0.000 0.324 176 M C -1.002 175.313 176.300 0.025 0.000 1.124 176 M CA -0.687 54.638 55.300 0.041 0.000 0.959 176 M CB 1.696 34.331 32.600 0.059 0.000 1.692 176 M HN 0.589 nan 8.290 nan 0.000 0.444 177 E N 1.789 121.928 120.200 -0.102 0.000 2.191 177 E HA 0.449 4.792 4.350 -0.012 0.000 0.278 177 E C -0.652 175.947 176.600 -0.003 0.000 0.972 177 E CA -0.542 55.762 56.400 -0.160 0.000 0.804 177 E CB 1.467 30.797 29.700 -0.616 0.000 1.110 177 E HN 0.524 nan 8.360 nan 0.000 0.394 178 E N 0.902 121.182 120.200 0.134 0.000 2.317 178 E HA 0.701 5.044 4.350 -0.012 0.000 0.270 178 E C -1.060 175.632 176.600 0.152 0.000 0.885 178 E CA -1.523 54.941 56.400 0.107 0.000 0.760 178 E CB 1.455 31.220 29.700 0.109 0.000 1.227 178 E HN 0.455 nan 8.360 nan 0.000 0.434 179 A N 2.331 125.193 122.820 0.071 0.000 2.566 179 A HA 0.013 4.326 4.320 -0.012 0.000 0.245 179 A C -0.056 177.691 177.584 0.272 0.000 1.056 179 A CA 0.364 52.442 52.037 0.069 0.000 0.757 179 A CB -0.168 18.724 19.000 -0.180 0.000 0.979 179 A HN 0.697 nan 8.150 nan 0.000 0.508 180 D N 1.960 122.593 120.400 0.388 0.000 2.483 180 D HA 0.188 4.821 4.640 -0.012 0.000 0.220 180 D C -0.418 176.219 176.300 0.563 0.000 1.173 180 D CA -0.162 54.078 54.000 0.400 0.000 0.964 180 D CB 0.321 41.289 40.800 0.280 0.000 1.046 180 D HN 0.382 nan 8.370 nan 0.000 0.517 181 D N 3.862 124.547 120.400 0.475 0.000 2.688 181 D HA -0.018 4.615 4.640 -0.012 0.000 0.228 181 D C 1.065 177.479 176.300 0.191 0.000 1.116 181 D CA -0.549 53.630 54.000 0.299 0.000 1.023 181 D CB -0.155 40.822 40.800 0.294 0.000 1.100 181 D HN 0.564 nan 8.370 nan 0.000 0.487 182 W N 2.073 123.392 121.300 0.031 0.000 2.595 182 W HA -0.008 4.645 4.660 -0.012 0.000 0.257 182 W C 0.153 176.714 176.519 0.071 0.000 1.267 182 W CA 0.053 57.444 57.345 0.077 0.000 1.300 182 W CB -0.701 28.811 29.460 0.088 0.000 1.120 182 W HN 0.170 nan 8.180 nan 0.000 0.618 183 L N 1.033 121.871 121.223 -0.641 0.000 2.592 183 L HA 0.181 4.514 4.340 -0.012 0.000 0.227 183 L C 2.765 179.454 176.870 -0.302 0.000 1.127 183 L CA -0.013 54.439 54.840 -0.647 0.000 0.884 183 L CB -0.642 40.923 42.059 -0.824 0.000 1.065 183 L HN -0.107 nan 8.230 nan 0.000 0.457 184 R N 0.727 121.092 120.500 -0.225 0.000 2.112 184 R HA -0.239 4.094 4.340 -0.012 0.000 0.242 184 R C 1.489 177.594 176.300 -0.326 0.000 1.137 184 R CA 2.188 58.109 56.100 -0.298 0.000 0.944 184 R CB -0.242 29.825 30.300 -0.389 0.000 0.857 184 R HN 0.314 nan 8.270 nan 0.000 0.435 185 Y N -0.511 119.810 120.300 0.036 0.000 2.466 185 Y HA 0.313 4.856 4.550 -0.012 0.000 0.272 185 Y C 0.878 176.791 175.900 0.023 0.000 1.169 185 Y CA 0.472 58.619 58.100 0.078 0.000 1.285 185 Y CB 0.608 39.229 38.460 0.268 0.000 1.078 185 Y HN 0.432 nan 8.280 nan 0.000 0.523 186 G N 1.285 110.130 108.800 0.074 0.000 2.692 186 G HA2 -0.232 3.721 3.960 -0.012 0.000 0.686 186 G HA3 -0.232 3.721 3.960 -0.012 0.000 0.686 186 G C -1.212 173.748 174.900 0.100 0.000 1.243 186 G CA -0.887 44.210 45.100 -0.004 0.000 0.782 186 G HN 0.260 nan 8.290 nan 0.000 0.625 187 N N 1.765 120.459 118.700 -0.010 0.000 2.511 187 N HA 0.593 5.326 4.740 -0.012 0.000 0.249 187 N C -0.467 175.050 175.510 0.010 0.000 0.971 187 N CA -2.110 50.968 53.050 0.045 0.000 0.938 187 N CB 1.819 40.260 38.487 -0.077 0.000 1.131 187 N HN 0.238 nan 8.380 nan 0.000 0.505 188 P HA 0.009 nan 4.420 nan 0.000 0.229 188 P C 0.545 177.547 177.300 -0.497 0.000 1.160 188 P CA 0.789 63.617 63.100 -0.453 0.000 0.777 188 P CB 0.079 31.279 31.700 -0.834 0.000 0.814 189 W N 1.823 123.140 121.300 0.029 0.000 2.658 189 W HA 0.068 4.721 4.660 -0.011 0.000 0.263 189 W C 1.170 177.733 176.519 0.074 0.000 1.274 189 W CA -0.372 56.986 57.345 0.021 0.000 1.343 189 W CB -0.187 29.288 29.460 0.026 0.000 1.106 189 W HN 0.023 nan 8.180 nan 0.000 0.615 190 E N 1.667 122.031 120.200 0.274 0.000 2.277 190 E HA 0.364 4.707 4.350 -0.012 0.000 0.274 190 E C -0.657 176.107 176.600 0.274 0.000 1.022 190 E CA -0.842 55.733 56.400 0.290 0.000 0.853 190 E CB 1.459 31.329 29.700 0.283 0.000 1.086 190 E HN -0.294 nan 8.360 nan 0.000 0.397 191 K N 1.977 122.559 120.400 0.304 0.000 2.535 191 K HA 0.425 4.738 4.320 -0.012 0.000 0.253 191 K C -1.148 175.499 176.600 0.078 0.000 0.953 191 K CA -0.473 55.928 56.287 0.190 0.000 0.863 191 K CB 1.553 34.156 32.500 0.173 0.000 1.111 191 K HN 0.668 nan 8.250 nan 0.000 0.431 192 A N 4.225 127.012 122.820 -0.055 0.000 2.511 192 A HA 0.298 4.611 4.320 -0.012 0.000 0.242 192 A C -0.259 177.171 177.584 -0.257 0.000 1.069 192 A CA -0.053 51.710 52.037 -0.457 0.000 0.763 192 A CB 0.187 18.890 19.000 -0.496 0.000 1.001 192 A HN 0.679 nan 8.150 nan 0.000 0.498 193 R N 3.305 123.649 120.500 -0.259 0.000 2.983 193 R HA 0.212 4.545 4.340 -0.012 0.000 0.300 193 R C -2.369 173.884 176.300 -0.078 0.000 1.367 193 R CA -1.725 54.325 56.100 -0.084 0.000 1.564 193 R CB 0.706 31.072 30.300 0.109 0.000 1.314 193 R HN 0.581 nan 8.270 nan 0.000 0.622 194 P HA -0.141 nan 4.420 nan 0.000 0.230 194 P C 0.855 178.102 177.300 -0.088 0.000 1.158 194 P CA 0.894 63.943 63.100 -0.084 0.000 0.769 194 P CB 0.389 32.037 31.700 -0.087 0.000 0.807 195 E N -0.322 119.756 120.200 -0.205 0.000 2.418 195 E HA -0.115 4.228 4.350 -0.012 0.000 0.197 195 E C 0.445 176.814 176.600 -0.386 0.000 1.026 195 E CA 0.711 56.908 56.400 -0.338 0.000 0.862 195 E CB -0.727 28.665 29.700 -0.515 0.000 0.799 195 E HN 0.253 nan 8.360 nan 0.000 0.518 196 F N 1.927 121.893 119.950 0.025 0.000 2.684 196 F HA 0.255 4.775 4.527 -0.012 0.000 0.298 196 F C 0.331 176.227 175.800 0.160 0.000 1.120 196 F CA -0.426 57.624 58.000 0.084 0.000 1.332 196 F CB 0.264 39.314 39.000 0.082 0.000 0.986 196 F HN -0.287 nan 8.300 nan 0.000 0.524 197 T N 2.836 117.525 114.554 0.226 0.000 2.888 197 T HA 0.307 4.650 4.350 -0.012 0.000 0.301 197 T C -0.288 174.509 174.700 0.161 0.000 1.001 197 T CA 0.295 62.522 62.100 0.212 0.000 1.147 197 T CB 0.754 69.696 68.868 0.124 0.000 0.931 197 T HN -0.153 nan 8.240 nan 0.000 0.541 198 L N 5.808 127.102 121.223 0.118 0.000 2.401 198 L HA 0.556 4.889 4.340 -0.012 0.000 0.266 198 L C -2.292 174.532 176.870 -0.076 0.000 0.991 198 L CA -2.597 52.240 54.840 -0.005 0.000 0.818 198 L CB 2.089 44.075 42.059 -0.122 0.000 1.321 198 L HN 0.377 nan 8.230 nan 0.000 0.413 199 P HA 0.349 nan 4.420 nan 0.000 0.290 199 P C -1.134 176.018 177.300 -0.247 0.000 1.276 199 P CA -0.349 62.657 63.100 -0.158 0.000 0.808 199 P CB 1.609 33.214 31.700 -0.157 0.000 0.966 200 V N 4.356 124.109 119.914 -0.268 0.000 2.555 200 V HA 0.331 4.444 4.120 -0.012 0.000 0.302 200 V C 0.286 176.143 176.094 -0.395 0.000 1.038 200 V CA -0.613 61.511 62.300 -0.292 0.000 0.887 200 V CB 1.305 32.998 31.823 -0.216 0.000 0.991 200 V HN 0.597 nan 8.190 nan 0.000 0.434 201 H N 3.795 122.711 119.070 -0.258 0.000 2.463 201 H HA 0.625 5.174 4.556 -0.012 0.000 0.332 201 H C -1.270 173.796 175.328 -0.437 0.000 1.127 201 H CA -0.163 55.671 56.048 -0.357 0.000 1.238 201 H CB 1.926 31.258 29.762 -0.716 0.000 1.478 201 H HN 0.482 nan 8.280 nan 0.000 0.499 202 F N 0.084 120.116 119.950 0.137 0.000 2.613 202 F HA 0.212 4.731 4.527 -0.012 0.000 0.314 202 F C -0.254 175.681 175.800 0.225 0.000 1.075 202 F CA -0.563 57.519 58.000 0.137 0.000 0.945 202 F CB 1.086 40.071 39.000 -0.024 0.000 1.310 202 F HN 0.555 nan 8.300 nan 0.000 0.467 203 Y N 0.156 120.769 120.300 0.521 0.000 2.904 203 Y HA -0.021 4.522 4.550 -0.012 0.000 0.466 203 Y C 1.394 177.558 175.900 0.441 0.000 1.202 203 Y CA 0.695 59.018 58.100 0.371 0.000 2.492 203 Y CB -1.928 36.677 38.460 0.242 0.000 1.237 203 Y HN 1.289 nan 8.280 nan 0.000 0.633 204 G N 0.741 109.822 108.800 0.468 0.000 2.562 204 G HA2 0.081 4.034 3.960 -0.012 0.000 0.250 204 G HA3 0.081 4.034 3.960 -0.012 0.000 0.250 204 G C -0.471 174.651 174.900 0.371 0.000 1.269 204 G CA 1.188 46.482 45.100 0.324 0.000 0.919 204 G HN 1.387 nan 8.290 nan 0.000 0.574 205 R N -2.767 117.954 120.500 0.368 0.000 2.747 205 R HA 0.687 5.020 4.340 -0.012 0.000 0.272 205 R C -1.553 174.897 176.300 0.250 0.000 1.032 205 R CA -0.934 55.319 56.100 0.257 0.000 0.896 205 R CB 1.225 31.617 30.300 0.153 0.000 1.253 205 R HN 0.949 nan 8.270 nan 0.000 0.461 206 V N 1.016 120.986 119.914 0.093 0.000 2.384 206 V HA 0.354 4.467 4.120 -0.012 0.000 0.287 206 V C -0.293 175.743 176.094 -0.096 0.000 1.020 206 V CA -0.602 61.681 62.300 -0.029 0.000 0.850 206 V CB 1.309 33.043 31.823 -0.149 0.000 0.987 206 V HN 0.657 nan 8.190 nan 0.000 0.436 207 E N 3.350 123.482 120.200 -0.113 0.000 2.175 207 E HA 0.409 4.752 4.350 -0.012 0.000 0.278 207 E C -0.897 175.567 176.600 -0.226 0.000 0.969 207 E CA -0.700 55.641 56.400 -0.099 0.000 0.796 207 E CB 1.097 30.787 29.700 -0.017 0.000 1.104 207 E HN 0.653 nan 8.360 nan 0.000 0.395 208 H N 2.175 121.260 119.070 0.026 0.000 2.594 208 H HA 0.160 4.709 4.556 -0.012 0.000 0.304 208 H C 0.293 175.631 175.328 0.016 0.000 1.068 208 H CA -0.252 55.807 56.048 0.017 0.000 1.308 208 H CB 1.087 30.855 29.762 0.010 0.000 1.409 208 H HN 0.562 nan 8.280 nan 0.000 0.460 209 T N -0.500 114.116 114.554 0.102 0.000 2.910 209 T HA 0.163 4.506 4.350 -0.012 0.000 0.279 209 T C 1.469 176.210 174.700 0.067 0.000 0.989 209 T CA -0.732 61.408 62.100 0.067 0.000 0.968 209 T CB 1.027 69.919 68.868 0.039 0.000 1.135 209 T HN 0.365 nan 8.240 nan 0.000 0.562 210 S N -0.096 115.631 115.700 0.045 0.000 2.399 210 S HA -0.063 4.400 4.470 -0.012 0.000 0.231 210 S C 1.139 175.761 174.600 0.036 0.000 1.022 210 S CA 1.013 59.235 58.200 0.036 0.000 0.983 210 S CB -0.358 62.858 63.200 0.026 0.000 0.803 210 S HN 0.701 nan 8.310 nan 0.000 0.480 211 Q N 0.478 120.300 119.800 0.037 0.000 2.824 211 Q HA 0.523 4.856 4.340 -0.012 0.000 0.371 211 Q C 0.180 176.204 176.000 0.041 0.000 1.071 211 Q CA 0.132 55.956 55.803 0.035 0.000 1.064 211 Q CB 0.279 29.034 28.738 0.027 0.000 1.332 211 Q HN 0.427 nan 8.270 nan 0.000 0.445 212 G N 0.303 109.138 108.800 0.060 0.000 2.756 212 G HA2 0.042 3.995 3.960 -0.012 0.000 0.678 212 G HA3 0.042 3.995 3.960 -0.012 0.000 0.678 212 G C -0.466 174.475 174.900 0.067 0.000 1.349 212 G CA -0.650 44.494 45.100 0.073 0.000 0.847 212 G HN 0.681 nan 8.290 nan 0.000 0.548 213 A N 0.486 123.338 122.820 0.053 0.000 2.386 213 A HA 0.691 5.004 4.320 -0.012 0.000 0.248 213 A C 0.564 178.106 177.584 -0.070 0.000 1.082 213 A CA 0.527 52.510 52.037 -0.090 0.000 0.789 213 A CB 0.559 19.468 19.000 -0.153 0.000 1.025 213 A HN 0.792 nan 8.150 nan 0.000 0.490 214 K N 0.450 120.794 120.400 -0.094 0.000 2.482 214 K HA 0.180 4.493 4.320 -0.012 0.000 0.251 214 K C -1.938 174.697 176.600 0.058 0.000 0.936 214 K CA -0.336 55.943 56.287 -0.012 0.000 0.791 214 K CB 2.091 34.585 32.500 -0.010 0.000 1.213 214 K HN 0.750 nan 8.250 nan 0.000 0.428 215 W N 5.504 126.723 121.300 -0.135 0.000 2.311 215 W HA 0.337 4.990 4.660 -0.012 0.000 0.317 215 W C -0.554 175.904 176.519 -0.101 0.000 1.065 215 W CA -0.786 56.486 57.345 -0.123 0.000 1.364 215 W CB 0.076 29.448 29.460 -0.146 0.000 1.233 215 W HN 0.295 nan 8.180 nan 0.000 0.409 216 V N 2.679 122.636 119.914 0.072 0.000 3.158 216 V HA 0.608 4.721 4.120 -0.012 0.000 0.315 216 V C -0.041 176.023 176.094 -0.051 0.000 1.148 216 V CA -0.890 61.379 62.300 -0.051 0.000 1.042 216 V CB 1.889 33.714 31.823 0.004 0.000 1.101 216 V HN 0.446 nan 8.190 nan 0.000 0.448 217 D N 0.218 120.595 120.400 -0.038 0.000 2.772 217 D HA -0.141 4.492 4.640 -0.012 0.000 0.233 217 D C 0.548 176.854 176.300 0.011 0.000 1.143 217 D CA 1.535 55.538 54.000 0.005 0.000 0.700 217 D CB -1.592 39.234 40.800 0.045 0.000 1.076 217 D HN 1.315 nan 8.370 nan 0.000 0.430 218 T N -2.882 111.629 114.554 -0.072 0.000 2.899 218 T HA 0.479 4.822 4.350 -0.012 0.000 0.284 218 T C 0.435 175.196 174.700 0.101 0.000 1.004 218 T CA -0.712 61.360 62.100 -0.047 0.000 1.043 218 T CB 1.962 70.619 68.868 -0.353 0.000 1.013 218 T HN 0.034 nan 8.240 nan 0.000 0.518 219 Q N 0.777 120.711 119.800 0.224 0.000 2.243 219 Q HA 0.549 4.882 4.340 -0.012 0.000 0.252 219 Q C -0.912 175.220 176.000 0.220 0.000 0.909 219 Q CA -0.799 55.164 55.803 0.267 0.000 0.922 219 Q CB 1.708 30.686 28.738 0.399 0.000 1.215 219 Q HN 0.536 nan 8.270 nan 0.000 0.427 220 V N 3.417 123.416 119.914 0.141 0.000 2.398 220 V HA 0.370 4.483 4.120 -0.012 0.000 0.286 220 V C -0.365 175.785 176.094 0.094 0.000 1.026 220 V CA -0.630 61.663 62.300 -0.011 0.000 0.868 220 V CB 1.642 33.401 31.823 -0.106 0.000 0.982 220 V HN 0.489 nan 8.190 nan 0.000 0.443 221 V N 6.219 126.207 119.914 0.123 0.000 2.555 221 V HA 0.479 4.592 4.120 -0.012 0.000 0.302 221 V C -0.064 176.111 176.094 0.135 0.000 1.038 221 V CA -0.646 61.741 62.300 0.146 0.000 0.887 221 V CB 1.895 33.888 31.823 0.283 0.000 0.991 221 V HN 0.636 nan 8.190 nan 0.000 0.434 222 L N 3.639 124.933 121.223 0.118 0.000 2.350 222 L HA 0.707 5.040 4.340 -0.012 0.000 0.275 222 L C 0.467 177.507 176.870 0.284 0.000 1.099 222 L CA -0.265 54.654 54.840 0.132 0.000 0.808 222 L CB 1.197 43.313 42.059 0.096 0.000 1.149 222 L HN 0.750 nan 8.230 nan 0.000 0.442 223 A N 5.059 127.997 122.820 0.197 0.000 2.267 223 A HA 0.585 4.898 4.320 -0.012 0.000 0.315 223 A C -0.508 177.348 177.584 0.453 0.000 1.297 223 A CA -0.464 51.731 52.037 0.264 0.000 0.865 223 A CB 0.917 19.636 19.000 -0.469 0.000 1.165 223 A HN 0.781 nan 8.150 nan 0.000 0.513 224 M N 5.765 125.681 119.600 0.528 0.000 2.129 224 M HA 0.458 4.931 4.480 -0.012 0.000 0.348 224 M C -2.600 173.930 176.300 0.384 0.000 1.116 224 M CA -2.151 53.385 55.300 0.394 0.000 1.022 224 M CB 2.048 34.791 32.600 0.239 0.000 1.599 224 M HN 0.345 nan 8.290 nan 0.000 0.449 225 P HA 0.275 nan 4.420 nan 0.000 0.286 225 P C -1.931 175.263 177.300 -0.176 0.000 1.261 225 P CA -0.045 62.905 63.100 -0.250 0.000 0.821 225 P CB 0.546 31.919 31.700 -0.544 0.000 1.013 226 Y N 0.386 120.605 120.300 -0.134 0.000 2.331 226 Y HA 0.320 4.863 4.550 -0.012 0.000 0.334 226 Y C 0.140 176.020 175.900 -0.033 0.000 0.960 226 Y CA -0.373 57.712 58.100 -0.026 0.000 1.130 226 Y CB 1.328 39.807 38.460 0.031 0.000 1.164 226 Y HN 0.210 nan 8.280 nan 0.000 0.458 227 D N 2.047 122.551 120.400 0.174 0.000 2.198 227 D HA 0.365 4.998 4.640 -0.012 0.000 0.245 227 D C -0.557 175.967 176.300 0.373 0.000 1.079 227 D CA -0.139 54.005 54.000 0.240 0.000 0.854 227 D CB 1.570 42.533 40.800 0.271 0.000 1.148 227 D HN 0.376 nan 8.370 nan 0.000 0.456 228 T N 3.526 118.207 114.554 0.212 0.000 2.807 228 T HA 0.456 4.799 4.350 -0.012 0.000 0.279 228 T C -2.486 172.072 174.700 -0.236 0.000 0.993 228 T CA -1.522 60.611 62.100 0.055 0.000 0.970 228 T CB 1.928 70.814 68.868 0.031 0.000 0.950 228 T HN 0.165 nan 8.240 nan 0.000 0.441 229 P HA 0.268 nan 4.420 nan 0.000 0.276 229 P C -0.950 176.023 177.300 -0.545 0.000 1.230 229 P CA -0.360 62.082 63.100 -1.096 0.000 0.776 229 P CB 0.725 31.628 31.700 -1.328 0.000 0.888 230 V N 5.424 125.071 119.914 -0.445 0.000 2.305 230 V HA 0.259 4.372 4.120 -0.012 0.000 0.275 230 V C -2.059 173.895 176.094 -0.233 0.000 1.020 230 V CA -1.931 60.203 62.300 -0.277 0.000 0.811 230 V CB 1.246 32.954 31.823 -0.191 0.000 1.031 230 V HN 0.533 nan 8.190 nan 0.000 0.439 231 P HA 0.277 nan 4.420 nan 0.000 0.280 231 P C 0.398 177.642 177.300 -0.094 0.000 1.244 231 P CA 0.296 63.300 63.100 -0.159 0.000 0.784 231 P CB 1.598 33.202 31.700 -0.159 0.000 0.913 232 G N 2.284 111.047 108.800 -0.063 0.000 2.599 232 G HA2 0.121 4.074 3.960 -0.012 0.000 0.264 232 G HA3 0.121 4.074 3.960 -0.012 0.000 0.264 232 G C -1.147 173.762 174.900 0.014 0.000 1.200 232 G CA -0.558 44.535 45.100 -0.012 0.000 0.896 232 G HN 0.513 nan 8.290 nan 0.000 0.536 233 Y N 0.532 120.790 120.300 -0.069 0.000 2.584 233 Y HA 0.267 4.810 4.550 -0.012 0.000 0.351 233 Y C 1.269 177.130 175.900 -0.065 0.000 1.030 233 Y CA -0.171 57.885 58.100 -0.074 0.000 1.332 233 Y CB 0.160 38.575 38.460 -0.075 0.000 1.148 233 Y HN 0.719 nan 8.280 nan 0.000 0.528 234 R N 2.493 122.691 120.500 -0.503 0.000 3.847 234 R HA -0.324 4.009 4.340 -0.012 0.000 0.304 234 R C 0.173 176.334 176.300 -0.231 0.000 1.203 234 R CA 1.558 57.383 56.100 -0.459 0.000 0.835 234 R CB -1.993 27.865 30.300 -0.736 0.000 1.253 234 R HN 0.944 nan 8.270 nan 0.000 0.516 235 N N -1.204 117.409 118.700 -0.144 0.000 2.184 235 N HA 0.054 4.787 4.740 -0.012 0.000 0.206 235 N C -0.175 175.284 175.510 -0.085 0.000 1.151 235 N CA -0.188 52.808 53.050 -0.089 0.000 0.878 235 N CB 0.468 38.928 38.487 -0.046 0.000 1.014 235 N HN 0.094 nan 8.380 nan 0.000 0.512 236 N N -0.291 118.355 118.700 -0.090 0.000 2.778 236 N HA -0.136 4.597 4.740 -0.012 0.000 0.249 236 N C -0.943 174.521 175.510 -0.078 0.000 1.069 236 N CA 0.594 53.599 53.050 -0.076 0.000 0.831 236 N CB -1.358 37.086 38.487 -0.071 0.000 1.142 236 N HN 0.184 nan 8.380 nan 0.000 0.573 237 V N 1.255 121.124 119.914 -0.074 0.000 2.465 237 V HA 0.399 4.512 4.120 -0.012 0.000 0.279 237 V C 0.606 176.661 176.094 -0.065 0.000 1.045 237 V CA -0.453 61.807 62.300 -0.067 0.000 0.938 237 V CB 2.036 33.842 31.823 -0.029 0.000 0.986 237 V HN -0.021 nan 8.190 nan 0.000 0.467 238 V N 5.551 125.430 119.914 -0.058 0.000 2.419 238 V HA 0.438 4.551 4.120 -0.012 0.000 0.287 238 V C -0.062 176.009 176.094 -0.039 0.000 1.017 238 V CA -0.868 61.367 62.300 -0.109 0.000 0.844 238 V CB 1.389 33.114 31.823 -0.163 0.000 1.011 238 V HN 0.836 nan 8.190 nan 0.000 0.429 239 N N 2.023 120.675 118.700 -0.079 0.000 2.418 239 N HA 0.562 5.295 4.740 -0.012 0.000 0.283 239 N C -0.040 175.437 175.510 -0.055 0.000 1.267 239 N CA -0.303 52.723 53.050 -0.040 0.000 0.975 239 N CB 1.118 39.544 38.487 -0.101 0.000 1.167 239 N HN 0.580 nan 8.380 nan 0.000 0.581 240 T N 0.725 115.256 114.554 -0.037 0.000 2.824 240 T HA 0.394 4.737 4.350 -0.012 0.000 0.282 240 T C -0.285 174.374 174.700 -0.070 0.000 0.993 240 T CA -0.511 61.636 62.100 0.079 0.000 0.967 240 T CB 1.111 70.151 68.868 0.287 0.000 0.960 240 T HN 0.302 nan 8.240 nan 0.000 0.441 241 M N 3.851 123.378 119.600 -0.122 0.000 2.101 241 M HA 0.500 4.973 4.480 -0.012 0.000 0.340 241 M C -0.464 175.688 176.300 -0.247 0.000 1.057 241 M CA -0.741 54.399 55.300 -0.267 0.000 0.984 241 M CB 0.662 33.046 32.600 -0.360 0.000 1.560 241 M HN 0.491 nan 8.290 nan 0.000 0.435 242 R N 5.807 126.058 120.500 -0.415 0.000 2.295 242 R HA 0.647 4.980 4.340 -0.012 0.000 0.324 242 R C -1.961 174.060 176.300 -0.466 0.000 0.968 242 R CA -0.417 55.395 56.100 -0.479 0.000 0.837 242 R CB 0.913 30.761 30.300 -0.752 0.000 1.133 242 R HN 0.819 nan 8.270 nan 0.000 0.450 243 L N 5.046 126.083 121.223 -0.310 0.000 2.341 243 L HA 0.506 4.839 4.340 -0.012 0.000 0.278 243 L C -0.923 175.892 176.870 -0.092 0.000 1.005 243 L CA -0.910 53.849 54.840 -0.136 0.000 0.818 243 L CB 1.652 43.723 42.059 0.021 0.000 1.259 243 L HN 0.615 nan 8.230 nan 0.000 0.418 244 W N 1.796 123.228 121.300 0.219 0.000 2.365 244 W HA 0.510 5.163 4.660 -0.012 0.000 0.316 244 W C 0.487 177.245 176.519 0.398 0.000 1.164 244 W CA -0.221 57.282 57.345 0.262 0.000 1.204 244 W CB 1.622 31.111 29.460 0.048 0.000 1.213 244 W HN 0.324 nan 8.180 nan 0.000 0.539 245 S N 1.659 117.783 115.700 0.707 0.000 2.513 245 S HA 0.786 5.249 4.470 -0.012 0.000 0.299 245 S C -0.564 174.380 174.600 0.572 0.000 1.087 245 S CA -0.703 57.811 58.200 0.525 0.000 1.012 245 S CB 0.732 64.203 63.200 0.451 0.000 1.044 245 S HN 0.513 nan 8.310 nan 0.000 0.485 246 A N 4.624 127.602 122.820 0.264 0.000 2.328 246 A HA 0.686 4.999 4.320 -0.012 0.000 0.284 246 A C -0.259 177.382 177.584 0.094 0.000 1.160 246 A CA -0.372 51.719 52.037 0.089 0.000 0.818 246 A CB 0.401 19.178 19.000 -0.371 0.000 1.087 246 A HN 0.633 nan 8.150 nan 0.000 0.504 247 K N 1.280 121.749 120.400 0.115 0.000 2.427 247 K HA 0.595 4.908 4.320 -0.012 0.000 0.252 247 K C -0.468 176.117 176.600 -0.025 0.000 0.931 247 K CA -0.425 55.894 56.287 0.053 0.000 0.793 247 K CB 2.211 34.772 32.500 0.102 0.000 1.211 247 K HN 0.831 nan 8.250 nan 0.000 0.426 248 A N 4.554 127.304 122.820 -0.117 0.000 2.401 248 A HA 0.406 4.719 4.320 -0.012 0.000 0.259 248 A C -2.068 175.483 177.584 -0.055 0.000 1.103 248 A CA -0.986 50.912 52.037 -0.232 0.000 0.789 248 A CB -0.348 18.391 19.000 -0.435 0.000 1.035 248 A HN 0.342 nan 8.150 nan 0.000 0.491 249 P HA 0.075 nan 4.420 nan 0.000 0.270 249 P C 0.078 177.452 177.300 0.122 0.000 1.223 249 P CA -0.333 62.813 63.100 0.077 0.000 0.785 249 P CB 0.556 32.317 31.700 0.102 0.000 0.923 250 N N 1.006 119.766 118.700 0.099 0.000 2.459 250 N HA -0.114 4.619 4.740 -0.012 0.000 0.181 250 N C 0.691 176.275 175.510 0.122 0.000 1.046 250 N CA 1.045 54.157 53.050 0.103 0.000 0.904 250 N CB -0.444 38.088 38.487 0.076 0.000 0.964 250 N HN 0.552 nan 8.380 nan 0.000 0.444 251 D N -0.915 119.560 120.400 0.125 0.000 2.325 251 D HA -0.052 4.581 4.640 -0.012 0.000 0.225 251 D C 0.069 176.444 176.300 0.125 0.000 1.096 251 D CA -0.572 53.493 54.000 0.107 0.000 0.844 251 D CB -0.958 39.888 40.800 0.077 0.000 0.925 251 D HN 0.040 nan 8.370 nan 0.000 0.513 252 F N 1.948 121.912 119.950 0.024 0.000 2.578 252 F HA 0.114 4.634 4.527 -0.012 0.000 0.381 252 F C 0.778 176.583 175.800 0.008 0.000 1.069 252 F CA 0.097 58.107 58.000 0.018 0.000 1.231 252 F CB 0.145 39.156 39.000 0.018 0.000 1.086 252 F HN -0.145 nan 8.300 nan 0.000 0.564 253 N N 2.399 120.686 118.700 -0.688 0.000 2.815 253 N HA -0.280 4.453 4.740 -0.012 0.000 0.247 253 N C -0.736 174.660 175.510 -0.189 0.000 1.030 253 N CA 1.525 54.276 53.050 -0.497 0.000 0.881 253 N CB -1.242 36.938 38.487 -0.512 0.000 1.134 253 N HN 0.557 nan 8.380 nan 0.000 0.582 262 Y N 0.974 121.272 120.300 -0.002 0.000 2.145 262 Y HA -0.052 4.491 4.550 -0.012 0.000 0.286 262 Y C 2.657 178.564 175.900 0.011 0.000 1.145 262 Y CA 2.303 60.405 58.100 0.003 0.000 1.148 262 Y CB -0.061 38.402 38.460 0.005 0.000 0.981 262 Y HN 0.227 nan 8.280 nan 0.000 0.507 263 I N 0.430 120.945 120.570 -0.091 0.000 2.127 263 I HA -0.307 3.856 4.170 -0.012 0.000 0.241 263 I C 2.384 178.406 176.117 -0.159 0.000 1.075 263 I CA 1.475 62.672 61.300 -0.172 0.000 1.334 263 I CB -1.369 36.633 38.000 0.004 0.000 1.040 263 I HN 0.361 nan 8.210 nan 0.000 0.405 264 Q N 0.641 120.393 119.800 -0.080 0.000 2.077 264 Q HA -0.176 4.157 4.340 -0.012 0.000 0.206 264 Q C 2.396 178.352 176.000 -0.073 0.000 0.989 264 Q CA 2.073 57.842 55.803 -0.056 0.000 0.853 264 Q CB -0.526 28.193 28.738 -0.031 0.000 0.907 264 Q HN 0.556 nan 8.270 nan 0.000 0.418 265 A N 0.029 122.786 122.820 -0.105 0.000 1.917 265 A HA -0.169 4.144 4.320 -0.012 0.000 0.219 265 A C 2.422 179.961 177.584 -0.074 0.000 1.182 265 A CA 1.914 53.888 52.037 -0.105 0.000 0.633 265 A CB -0.739 18.194 19.000 -0.111 0.000 0.819 265 A HN 0.242 nan 8.150 nan 0.000 0.448 266 V N 0.024 119.826 119.914 -0.186 0.000 2.358 266 V HA -0.217 3.896 4.120 -0.012 0.000 0.246 266 V C 2.504 178.573 176.094 -0.041 0.000 1.047 266 V CA 1.809 64.023 62.300 -0.142 0.000 1.035 266 V CB -0.741 30.897 31.823 -0.309 0.000 0.658 266 V HN 0.567 nan 8.190 nan 0.000 0.452 267 L N -0.260 120.934 121.223 -0.049 0.000 2.141 267 L HA -0.131 4.202 4.340 -0.012 0.000 0.209 267 L C 2.030 178.925 176.870 0.040 0.000 1.094 267 L CA 1.175 56.011 54.840 -0.006 0.000 0.763 267 L CB -0.670 41.380 42.059 -0.014 0.000 0.908 267 L HN 0.306 nan 8.230 nan 0.000 0.437 268 D N 0.114 120.557 120.400 0.072 0.000 2.371 268 D HA -0.082 4.551 4.640 -0.012 0.000 0.221 268 D C 2.152 178.637 176.300 0.309 0.000 0.986 268 D CA 0.497 54.590 54.000 0.155 0.000 0.899 268 D CB -0.015 40.859 40.800 0.122 0.000 0.902 268 D HN 0.229 nan 8.370 nan 0.000 0.530 269 R N 0.222 120.866 120.500 0.240 0.000 2.159 269 R HA -0.076 4.257 4.340 -0.012 0.000 0.237 269 R C 1.626 177.879 176.300 -0.078 0.000 1.131 269 R CA 0.927 57.065 56.100 0.063 0.000 0.982 269 R CB -0.260 30.061 30.300 0.035 0.000 0.868 269 R HN 0.298 nan 8.270 nan 0.000 0.453 270 N N 0.164 118.867 118.700 0.005 0.000 2.289 270 N HA -0.152 4.581 4.740 -0.012 0.000 0.184 270 N C 1.174 176.675 175.510 -0.015 0.000 1.016 270 N CA 0.553 53.599 53.050 -0.007 0.000 0.872 270 N CB -0.029 38.469 38.487 0.020 0.000 0.973 270 N HN 0.014 nan 8.380 nan 0.000 0.433 271 L N 0.983 122.217 121.223 0.018 0.000 2.012 271 L HA -0.140 4.193 4.340 -0.012 0.000 0.210 271 L C 2.366 179.203 176.870 -0.055 0.000 1.073 271 L CA 1.493 56.349 54.840 0.026 0.000 0.748 271 L CB -1.056 41.079 42.059 0.127 0.000 0.891 271 L HN 0.175 nan 8.230 nan 0.000 0.431 272 A N -1.093 121.615 122.820 -0.186 0.000 1.930 272 A HA -0.161 4.152 4.320 -0.012 0.000 0.217 272 A C 2.135 179.593 177.584 -0.210 0.000 1.175 272 A CA 1.412 53.286 52.037 -0.272 0.000 0.627 272 A CB -0.404 18.246 19.000 -0.583 0.000 0.815 272 A HN 0.526 nan 8.150 nan 0.000 0.443 273 E N -0.100 119.998 120.200 -0.169 0.000 2.435 273 E HA -0.045 4.298 4.350 -0.012 0.000 0.195 273 E C 0.996 177.553 176.600 -0.071 0.000 1.029 273 E CA 0.077 56.408 56.400 -0.114 0.000 0.865 273 E CB -0.083 29.575 29.700 -0.070 0.000 0.833 273 E HN 0.444 nan 8.360 nan 0.000 0.510 274 N N 1.125 119.792 118.700 -0.054 0.000 2.443 274 N HA -0.110 4.623 4.740 -0.012 0.000 0.184 274 N C 1.581 177.081 175.510 -0.017 0.000 1.037 274 N CA 0.655 53.700 53.050 -0.008 0.000 0.896 274 N CB -0.061 38.427 38.487 0.001 0.000 0.959 274 N HN 0.264 nan 8.380 nan 0.000 0.442 275 I N 0.374 120.877 120.570 -0.112 0.000 2.151 275 I HA -0.274 3.889 4.170 -0.012 0.000 0.243 275 I C 1.442 177.514 176.117 -0.075 0.000 1.080 275 I CA 1.392 62.593 61.300 -0.165 0.000 1.339 275 I CB -0.229 37.513 38.000 -0.430 0.000 1.039 275 I HN 0.152 nan 8.210 nan 0.000 0.409 276 S N -0.526 115.121 115.700 -0.087 0.000 2.583 276 S HA 0.187 4.650 4.470 -0.012 0.000 0.239 276 S C 1.430 176.154 174.600 0.207 0.000 0.966 276 S CA -0.544 57.691 58.200 0.057 0.000 0.973 276 S CB 0.294 63.506 63.200 0.019 0.000 0.794 276 S HN 0.216 nan 8.310 nan 0.000 0.463 277 R N 1.275 121.902 120.500 0.213 0.000 2.062 277 R HA 0.280 4.613 4.340 -0.012 0.000 0.226 277 R C 0.381 176.929 176.300 0.412 0.000 1.125 277 R CA 1.121 57.388 56.100 0.279 0.000 0.966 277 R CB -0.235 30.194 30.300 0.216 0.000 0.861 277 R HN 0.391 nan 8.270 nan 0.000 0.433 278 V N 0.587 120.700 119.914 0.331 0.000 2.808 278 V HA 0.366 4.479 4.120 -0.012 0.000 0.308 278 V C -1.538 174.501 176.094 -0.091 0.000 1.099 278 V CA -1.392 61.017 62.300 0.183 0.000 0.920 278 V CB 1.759 33.613 31.823 0.052 0.000 1.014 278 V HN 0.171 nan 8.190 nan 0.000 0.425 279 L N 7.102 128.047 121.223 -0.463 0.000 2.410 279 L HA 0.431 4.764 4.340 -0.012 0.000 0.273 279 L C -0.743 175.940 176.870 -0.313 0.000 1.144 279 L CA 0.473 54.834 54.840 -0.799 0.000 0.863 279 L CB 0.291 41.834 42.059 -0.861 0.000 1.140 279 L HN 0.685 nan 8.230 nan 0.000 0.463 280 Y N 7.227 127.425 120.300 -0.171 0.000 2.650 280 Y HA 0.147 4.690 4.550 -0.012 0.000 0.331 280 Y C -1.313 174.566 175.900 -0.035 0.000 1.165 280 Y CA -0.937 57.134 58.100 -0.049 0.000 1.473 280 Y CB 0.307 38.761 38.460 -0.009 0.000 1.224 280 Y HN 0.587 nan 8.280 nan 0.000 0.533 281 P HA 0.034 nan 4.420 nan 0.000 0.253 281 P C -0.791 176.636 177.300 0.212 0.000 1.459 281 P CA 0.076 63.278 63.100 0.170 0.000 0.908 281 P CB 0.160 32.042 31.700 0.304 0.000 1.470 282 N N 1.276 120.098 118.700 0.204 0.000 2.406 282 N HA 0.030 4.763 4.740 -0.012 0.000 0.251 282 N C 0.569 176.191 175.510 0.187 0.000 1.069 282 N CA 0.240 53.410 53.050 0.201 0.000 0.947 282 N CB 0.628 39.221 38.487 0.177 0.000 1.111 282 N HN 0.097 nan 8.380 nan 0.000 0.497 283 D N 1.185 121.725 120.400 0.234 0.000 2.369 283 D HA 0.007 4.639 4.640 -0.012 0.000 0.211 283 D C 0.543 177.041 176.300 0.330 0.000 1.077 283 D CA 0.252 54.404 54.000 0.252 0.000 0.842 283 D CB 0.605 41.562 40.800 0.263 0.000 0.947 283 D HN 0.565 nan 8.370 nan 0.000 0.509 284 N N -0.743 118.138 118.700 0.301 0.000 2.782 284 N HA -0.024 4.709 4.740 -0.012 0.000 0.244 284 N C -0.152 175.535 175.510 0.294 0.000 1.029 284 N CA -0.119 53.123 53.050 0.321 0.000 0.999 284 N CB 0.405 38.899 38.487 0.011 0.000 1.634 284 N HN -0.013 nan 8.380 nan 0.000 0.478 285 F N 1.524 121.495 119.950 0.034 0.000 2.612 285 F HA 0.442 4.962 4.527 -0.012 0.000 0.332 285 F C -0.991 174.826 175.800 0.028 0.000 1.167 285 F CA -1.645 56.365 58.000 0.016 0.000 0.970 285 F CB 1.049 40.001 39.000 -0.080 0.000 1.234 285 F HN 0.014 nan 8.300 nan 0.000 0.453 286 F N 5.970 125.589 119.950 -0.552 0.000 2.569 286 F HA 0.079 4.599 4.527 -0.012 0.000 0.395 286 F C 0.198 175.659 175.800 -0.564 0.000 1.028 286 F CA 0.580 58.275 58.000 -0.508 0.000 1.158 286 F CB 0.254 38.955 39.000 -0.499 0.000 1.023 286 F HN 0.565 nan 8.300 nan 0.000 0.547 287 E N 4.675 124.271 120.200 -1.007 0.000 2.092 287 E HA 0.262 4.605 4.350 -0.012 0.000 0.271 287 E C 0.178 176.002 176.600 -1.293 0.000 0.919 287 E CA -0.564 55.340 56.400 -0.828 0.000 0.760 287 E CB 1.147 30.659 29.700 -0.315 0.000 1.106 287 E HN 0.881 nan 8.360 nan 0.000 0.408 288 G N 5.128 113.187 108.800 -1.235 0.000 3.316 288 G HA2 0.016 3.969 3.960 -0.012 0.000 0.255 288 G HA3 0.016 3.969 3.960 -0.012 0.000 0.255 288 G C 0.021 174.836 174.900 -0.143 0.000 0.880 288 G CA -0.235 44.315 45.100 -0.918 0.000 1.956 288 G HN 0.198 nan 8.290 nan 0.000 0.634 289 K N 0.542 120.901 120.400 -0.069 0.000 2.172 289 K HA 0.175 4.488 4.320 -0.012 0.000 0.276 289 K C 0.966 177.694 176.600 0.214 0.000 1.013 289 K CA -0.594 55.747 56.287 0.090 0.000 0.913 289 K CB 2.219 34.757 32.500 0.063 0.000 1.055 289 K HN 0.432 nan 8.250 nan 0.000 0.461 290 E N 1.863 122.159 120.200 0.161 0.000 2.077 290 E HA -0.204 4.139 4.350 -0.012 0.000 0.193 290 E C 1.505 178.134 176.600 0.049 0.000 0.989 290 E CA 0.959 57.412 56.400 0.089 0.000 0.800 290 E CB 0.186 29.938 29.700 0.088 0.000 0.746 290 E HN 0.399 nan 8.360 nan 0.000 0.452 291 L N 1.337 122.628 121.223 0.114 0.000 2.079 291 L HA -0.178 4.155 4.340 -0.012 0.000 0.210 291 L C 2.459 179.432 176.870 0.172 0.000 1.081 291 L CA 1.772 56.698 54.840 0.142 0.000 0.752 291 L CB -0.495 41.704 42.059 0.233 0.000 0.896 291 L HN 0.004 nan 8.230 nan 0.000 0.433 292 R N -0.648 119.918 120.500 0.110 0.000 2.075 292 R HA -0.153 4.180 4.340 -0.012 0.000 0.232 292 R C 2.101 178.449 176.300 0.080 0.000 1.126 292 R CA 1.809 57.899 56.100 -0.016 0.000 0.963 292 R CB -0.992 29.070 30.300 -0.397 0.000 0.858 292 R HN 0.407 nan 8.270 nan 0.000 0.435 293 L N 0.891 122.077 121.223 -0.061 0.000 2.046 293 L HA -0.070 4.263 4.340 -0.012 0.000 0.208 293 L C 1.706 178.518 176.870 -0.096 0.000 1.077 293 L CA 1.912 56.509 54.840 -0.404 0.000 0.747 293 L CB -0.424 41.080 42.059 -0.924 0.000 0.896 293 L HN 0.152 nan 8.230 nan 0.000 0.432 294 K N -0.984 119.406 120.400 -0.017 0.000 2.057 294 K HA -0.204 4.109 4.320 -0.012 0.000 0.207 294 K C 2.099 178.862 176.600 0.272 0.000 1.049 294 K CA 1.793 58.141 56.287 0.101 0.000 0.931 294 K CB -0.190 32.188 32.500 -0.204 0.000 0.714 294 K HN 0.508 nan 8.250 nan 0.000 0.440 295 Q N 0.572 120.498 119.800 0.210 0.000 2.084 295 Q HA -0.187 4.146 4.340 -0.012 0.000 0.202 295 Q C 1.933 178.130 176.000 0.328 0.000 0.978 295 Q CA 1.425 57.405 55.803 0.295 0.000 0.844 295 Q CB 0.002 28.936 28.738 0.328 0.000 0.898 295 Q HN 0.395 nan 8.270 nan 0.000 0.426 296 E N -0.223 120.124 120.200 0.246 0.000 2.072 296 E HA -0.207 4.136 4.350 -0.012 0.000 0.191 296 E C 1.730 178.441 176.600 0.185 0.000 0.985 296 E CA 1.014 57.540 56.400 0.210 0.000 0.801 296 E CB -0.134 29.666 29.700 0.167 0.000 0.750 296 E HN 0.323 nan 8.360 nan 0.000 0.452 297 Y N 0.483 120.826 120.300 0.072 0.000 2.220 297 Y HA -0.203 4.340 4.550 -0.012 0.000 0.291 297 Y C 1.986 177.907 175.900 0.035 0.000 1.129 297 Y CA 1.033 59.127 58.100 -0.009 0.000 1.161 297 Y CB -0.384 38.036 38.460 -0.065 0.000 0.997 297 Y HN 0.011 nan 8.280 nan 0.000 0.522 298 F N -0.298 119.642 119.950 -0.016 0.000 2.065 298 F HA -0.269 4.251 4.527 -0.012 0.000 0.298 298 F C 2.456 178.094 175.800 -0.269 0.000 1.112 298 F CA 2.109 60.049 58.000 -0.100 0.000 1.212 298 F CB -1.038 38.060 39.000 0.164 0.000 0.975 298 F HN -0.058 nan 8.300 nan 0.000 0.476 299 V N -0.541 119.315 119.914 -0.098 0.000 2.427 299 V HA -0.184 3.929 4.120 -0.012 0.000 0.248 299 V C 2.162 178.088 176.094 -0.280 0.000 1.051 299 V CA 1.775 63.980 62.300 -0.158 0.000 1.048 299 V CB -0.278 31.673 31.823 0.213 0.000 0.666 299 V HN 0.275 nan 8.190 nan 0.000 0.456 300 V N 0.343 120.099 119.914 -0.264 0.000 2.307 300 V HA -0.156 3.957 4.120 -0.012 0.000 0.245 300 V C 2.776 178.591 176.094 -0.465 0.000 1.045 300 V CA 2.079 64.210 62.300 -0.282 0.000 1.024 300 V CB -0.992 30.728 31.823 -0.170 0.000 0.651 300 V HN 0.626 nan 8.190 nan 0.000 0.449 301 A N -0.152 122.217 122.820 -0.752 0.000 1.873 301 A HA -0.085 4.228 4.320 -0.012 0.000 0.215 301 A C 2.392 179.588 177.584 -0.647 0.000 1.186 301 A CA 2.058 53.650 52.037 -0.742 0.000 0.616 301 A CB -0.799 17.546 19.000 -1.091 0.000 0.823 301 A HN 0.557 nan 8.150 nan 0.000 0.442 302 A N -1.056 121.216 122.820 -0.914 0.000 1.898 302 A HA -0.052 4.261 4.320 -0.012 0.000 0.216 302 A C 2.305 179.365 177.584 -0.873 0.000 1.181 302 A CA 2.238 53.553 52.037 -1.203 0.000 0.620 302 A CB -1.234 16.412 19.000 -2.256 0.000 0.819 302 A HN 0.425 nan 8.150 nan 0.000 0.442 303 T N 0.442 114.614 114.554 -0.637 0.000 2.708 303 T HA -0.094 4.249 4.350 -0.012 0.000 0.266 303 T C 1.830 176.241 174.700 -0.481 0.000 1.037 303 T CA 1.469 63.311 62.100 -0.430 0.000 1.146 303 T CB -0.376 68.242 68.868 -0.417 0.000 0.865 303 T HN 0.337 nan 8.240 nan 0.000 0.435 304 L N 0.681 121.672 121.223 -0.386 0.000 2.083 304 L HA -0.149 4.184 4.340 -0.012 0.000 0.209 304 L C 2.938 179.684 176.870 -0.207 0.000 1.083 304 L CA 1.352 56.022 54.840 -0.284 0.000 0.752 304 L CB -0.493 41.438 42.059 -0.214 0.000 0.899 304 L HN 0.345 nan 8.230 nan 0.000 0.433 305 Q N -0.575 119.100 119.800 -0.208 0.000 2.084 305 Q HA -0.264 4.069 4.340 -0.012 0.000 0.202 305 Q C 1.761 177.723 176.000 -0.064 0.000 0.978 305 Q CA 1.876 57.609 55.803 -0.117 0.000 0.844 305 Q CB -0.121 28.535 28.738 -0.137 0.000 0.898 305 Q HN 0.414 nan 8.270 nan 0.000 0.426 306 D N 0.400 120.748 120.400 -0.087 0.000 2.117 306 D HA -0.087 4.546 4.640 -0.012 0.000 0.198 306 D C 1.671 177.904 176.300 -0.111 0.000 0.982 306 D CA 0.803 54.794 54.000 -0.016 0.000 0.828 306 D CB 0.002 40.898 40.800 0.161 0.000 0.967 306 D HN 0.152 nan 8.370 nan 0.000 0.464 307 I N 0.088 120.488 120.570 -0.283 0.000 2.179 307 I HA -0.242 3.921 4.170 -0.012 0.000 0.242 307 I C 2.254 178.370 176.117 -0.000 0.000 1.088 307 I CA 0.787 61.867 61.300 -0.367 0.000 1.357 307 I CB -0.164 37.455 38.000 -0.634 0.000 1.051 307 I HN 0.064 nan 8.210 nan 0.000 0.409 308 I N 0.210 120.835 120.570 0.091 0.000 2.202 308 I HA -0.287 3.876 4.170 -0.012 0.000 0.242 308 I C 2.792 179.069 176.117 0.268 0.000 1.091 308 I CA 1.125 62.597 61.300 0.286 0.000 1.368 308 I CB -0.447 37.674 38.000 0.201 0.000 1.058 308 I HN 0.184 nan 8.210 nan 0.000 0.410 309 R N 1.284 121.871 120.500 0.145 0.000 2.094 309 R HA -0.261 4.072 4.340 -0.012 0.000 0.239 309 R C 2.494 178.869 176.300 0.125 0.000 1.137 309 R CA 2.053 58.228 56.100 0.125 0.000 0.943 309 R CB -0.334 30.024 30.300 0.098 0.000 0.850 309 R HN 0.239 nan 8.270 nan 0.000 0.433 310 R N -0.629 119.934 120.500 0.105 0.000 2.092 310 R HA -0.161 4.172 4.340 -0.012 0.000 0.231 310 R C 2.217 178.608 176.300 0.152 0.000 1.119 310 R CA 1.603 57.767 56.100 0.107 0.000 0.970 310 R CB -0.382 29.954 30.300 0.060 0.000 0.864 310 R HN 0.303 nan 8.270 nan 0.000 0.440 311 F N 1.550 121.533 119.950 0.055 0.000 2.102 311 F HA -0.127 4.393 4.527 -0.012 0.000 0.298 311 F C 1.707 177.520 175.800 0.022 0.000 1.105 311 F CA 1.603 59.630 58.000 0.045 0.000 1.239 311 F CB -0.007 39.072 39.000 0.133 0.000 0.991 311 F HN -0.126 nan 8.300 nan 0.000 0.474 312 K N -0.328 120.046 120.400 -0.044 0.000 2.097 312 K HA -0.051 4.262 4.320 -0.012 0.000 0.205 312 K C 1.768 178.292 176.600 -0.127 0.000 1.050 312 K CA 1.367 57.554 56.287 -0.166 0.000 0.938 312 K CB -0.324 32.188 32.500 0.020 0.000 0.718 312 K HN 0.127 nan 8.250 nan 0.000 0.442 313 S N 1.209 116.901 115.700 -0.013 0.000 2.754 313 S HA 0.076 4.539 4.470 -0.012 0.000 0.223 313 S C 0.342 174.998 174.600 0.093 0.000 0.951 313 S CA -0.187 58.052 58.200 0.065 0.000 0.954 313 S CB 0.091 63.370 63.200 0.132 0.000 0.780 313 S HN 0.143 nan 8.310 nan 0.000 0.509 325 N N 0.872 119.502 118.700 -0.117 0.000 2.482 325 N HA 0.275 5.008 4.740 -0.012 0.000 0.242 325 N C -0.521 175.017 175.510 0.046 0.000 1.100 325 N CA -0.088 52.966 53.050 0.006 0.000 0.946 325 N CB 0.177 38.683 38.487 0.031 0.000 1.227 325 N HN 0.153 nan 8.380 nan 0.000 0.508 326 F N 1.908 121.967 119.950 0.182 0.000 2.797 326 F HA 0.123 4.643 4.527 -0.012 0.000 0.302 326 F C 1.364 177.224 175.800 0.101 0.000 1.130 326 F CA 0.008 58.082 58.000 0.124 0.000 1.387 326 F CB 0.357 39.327 39.000 -0.051 0.000 1.107 326 F HN 0.480 nan 8.300 nan 0.000 0.577 327 D N 0.367 120.906 120.400 0.230 0.000 2.178 327 D HA -0.154 4.479 4.640 -0.012 0.000 0.201 327 D C 2.181 178.570 176.300 0.149 0.000 0.980 327 D CA 1.273 55.366 54.000 0.155 0.000 0.842 327 D CB -0.052 40.815 40.800 0.111 0.000 0.948 327 D HN 0.236 nan 8.370 nan 0.000 0.472 328 A N -0.544 122.387 122.820 0.184 0.000 2.218 328 A HA 0.078 4.391 4.320 -0.012 0.000 0.209 328 A C 1.569 179.259 177.584 0.176 0.000 1.168 328 A CA -0.220 51.920 52.037 0.172 0.000 0.804 328 A CB -0.750 18.357 19.000 0.178 0.000 0.834 328 A HN 0.228 nan 8.150 nan 0.000 0.482 329 F N 1.945 121.868 119.950 -0.044 0.000 2.063 329 F HA -0.181 4.339 4.527 -0.011 0.000 0.298 329 F C -0.766 174.927 175.800 -0.178 0.000 1.109 329 F CA 2.742 60.520 58.000 -0.371 0.000 1.212 329 F CB -0.676 38.104 39.000 -0.366 0.000 0.973 329 F HN 0.205 nan 8.300 nan 0.000 0.480 330 P HA -0.099 nan 4.420 nan 0.000 0.225 330 P C 0.719 177.974 177.300 -0.075 0.000 1.148 330 P CA 1.491 64.561 63.100 -0.050 0.000 0.779 330 P CB -0.085 31.617 31.700 0.003 0.000 0.780 331 D N -0.852 119.523 120.400 -0.041 0.000 2.317 331 D HA -0.035 4.598 4.640 -0.012 0.000 0.211 331 D C 1.498 177.778 176.300 -0.034 0.000 0.966 331 D CA 0.913 54.901 54.000 -0.020 0.000 0.876 331 D CB 0.095 40.905 40.800 0.016 0.000 0.927 331 D HN 0.161 nan 8.370 nan 0.000 0.519 332 K N -0.067 120.285 120.400 -0.080 0.000 2.412 332 K HA 0.208 4.521 4.320 -0.012 0.000 0.202 332 K C -0.098 176.406 176.600 -0.160 0.000 1.102 332 K CA 0.083 56.333 56.287 -0.062 0.000 1.027 332 K CB 2.382 34.944 32.500 0.104 0.000 0.931 332 K HN -0.069 nan 8.250 nan 0.000 0.557 333 V N 1.241 120.972 119.914 -0.305 0.000 2.577 333 V HA 0.593 4.706 4.120 -0.012 0.000 0.303 333 V C -0.979 175.029 176.094 -0.142 0.000 1.042 333 V CA -1.238 60.889 62.300 -0.289 0.000 0.872 333 V CB 1.736 33.101 31.823 -0.763 0.000 0.998 333 V HN 0.121 nan 8.190 nan 0.000 0.423 334 A N 5.887 128.668 122.820 -0.065 0.000 2.343 334 A HA 0.917 5.230 4.320 -0.012 0.000 0.316 334 A C -0.886 176.721 177.584 0.039 0.000 1.104 334 A CA -0.485 51.546 52.037 -0.011 0.000 0.768 334 A CB 0.900 19.837 19.000 -0.106 0.000 1.213 334 A HN 0.779 nan 8.150 nan 0.000 0.456 335 I N 1.996 122.636 120.570 0.117 0.000 2.382 335 I HA 0.270 4.433 4.170 -0.012 0.000 0.285 335 I C -0.258 175.950 176.117 0.151 0.000 1.007 335 I CA -0.505 60.874 61.300 0.133 0.000 1.142 335 I CB 1.834 39.894 38.000 0.100 0.000 1.289 335 I HN 0.702 nan 8.210 nan 0.000 0.453 336 Q N 6.754 126.639 119.800 0.142 0.000 2.278 336 Q HA 0.508 4.840 4.340 -0.012 0.000 0.257 336 Q C -1.314 174.673 176.000 -0.023 0.000 0.928 336 Q CA -0.203 55.710 55.803 0.184 0.000 0.932 336 Q CB 1.284 30.255 28.738 0.390 0.000 1.221 336 Q HN 0.572 nan 8.270 nan 0.000 0.434 337 L N 3.886 125.136 121.223 0.045 0.000 2.255 337 L HA 0.400 4.733 4.340 -0.012 0.000 0.289 337 L C -0.004 176.879 176.870 0.022 0.000 1.046 337 L CA -0.755 54.101 54.840 0.026 0.000 0.816 337 L CB 0.782 42.907 42.059 0.110 0.000 1.197 337 L HN 0.568 nan 8.230 nan 0.000 0.427 338 N N 4.520 123.162 118.700 -0.098 0.000 2.508 338 N HA 0.050 4.783 4.740 -0.012 0.000 0.253 338 N C -0.097 175.441 175.510 0.048 0.000 1.145 338 N CA 0.534 53.588 53.050 0.006 0.000 0.973 338 N CB -0.141 38.285 38.487 -0.101 0.000 1.305 338 N HN 0.636 nan 8.380 nan 0.000 0.506 339 D N -0.217 120.284 120.400 0.168 0.000 3.856 339 D HA -0.229 4.404 4.640 -0.012 0.000 0.276 339 D C 0.311 176.691 176.300 0.133 0.000 2.073 339 D CA 1.609 55.684 54.000 0.123 0.000 1.163 339 D CB -0.543 40.102 40.800 -0.258 0.000 0.937 339 D HN 0.499 nan 8.370 nan 0.000 1.140 340 T N -2.518 112.042 114.554 0.010 0.000 3.129 340 T HA 0.097 4.440 4.350 -0.012 0.000 0.251 340 T C 1.610 176.370 174.700 0.099 0.000 1.117 340 T CA 1.448 63.547 62.100 -0.001 0.000 1.034 340 T CB -0.493 68.350 68.868 -0.042 0.000 0.968 340 T HN 0.493 nan 8.240 nan 0.000 0.526 341 H N 2.638 121.801 119.070 0.154 0.000 2.352 341 H HA 0.001 4.550 4.556 -0.012 0.000 0.299 341 H C -0.910 174.505 175.328 0.146 0.000 1.097 341 H CA 0.969 57.120 56.048 0.172 0.000 1.311 341 H CB -0.935 28.930 29.762 0.171 0.000 1.377 341 H HN 0.435 nan 8.280 nan 0.000 0.504 342 P HA 0.085 nan 4.420 nan 0.000 0.254 342 P C 0.646 177.985 177.300 0.065 0.000 1.620 342 P CA 0.300 63.475 63.100 0.125 0.000 1.050 342 P CB 0.318 32.081 31.700 0.105 0.000 1.539 343 S N -0.436 115.297 115.700 0.056 0.000 2.442 343 S HA -0.106 4.357 4.470 -0.012 0.000 0.236 343 S C 1.701 176.297 174.600 -0.007 0.000 1.007 343 S CA 0.683 58.876 58.200 -0.011 0.000 0.965 343 S CB -1.397 61.771 63.200 -0.053 0.000 0.773 343 S HN 0.155 nan 8.310 nan 0.000 0.504 344 L N 0.918 122.149 121.223 0.014 0.000 2.549 344 L HA 0.032 4.365 4.340 -0.012 0.000 0.229 344 L C 2.888 179.776 176.870 0.030 0.000 1.158 344 L CA 0.611 55.455 54.840 0.007 0.000 0.842 344 L CB -0.719 41.342 42.059 0.003 0.000 0.952 344 L HN 0.478 nan 8.230 nan 0.000 0.452 345 A N 0.504 123.327 122.820 0.006 0.000 1.972 345 A HA -0.184 4.129 4.320 -0.012 0.000 0.219 345 A C 2.167 179.741 177.584 -0.017 0.000 1.169 345 A CA 1.416 53.442 52.037 -0.017 0.000 0.635 345 A CB -0.420 18.564 19.000 -0.027 0.000 0.810 345 A HN 0.371 nan 8.150 nan 0.000 0.446 346 I N 0.292 120.854 120.570 -0.013 0.000 2.110 346 I HA -0.138 4.025 4.170 -0.012 0.000 0.236 346 I C -0.356 175.774 176.117 0.021 0.000 1.068 346 I CA 1.494 62.784 61.300 -0.016 0.000 1.333 346 I CB -1.036 36.955 38.000 -0.015 0.000 1.054 346 I HN 0.232 nan 8.210 nan 0.000 0.402 347 P HA -0.169 nan 4.420 nan 0.000 0.221 347 P C 1.275 178.620 177.300 0.075 0.000 1.150 347 P CA 1.479 64.623 63.100 0.073 0.000 0.800 347 P CB 0.032 31.797 31.700 0.108 0.000 0.787 348 E N 0.229 120.522 120.200 0.156 0.000 2.072 348 E HA -0.154 4.189 4.350 -0.012 0.000 0.191 348 E C 1.925 178.512 176.600 -0.022 0.000 0.985 348 E CA 0.690 57.190 56.400 0.166 0.000 0.801 348 E CB -1.202 28.623 29.700 0.208 0.000 0.750 348 E HN -0.015 nan 8.360 nan 0.000 0.452 349 L N 0.023 121.199 121.223 -0.078 0.000 2.046 349 L HA -0.122 4.211 4.340 -0.012 0.000 0.208 349 L C 2.088 178.816 176.870 -0.237 0.000 1.077 349 L CA 1.788 56.522 54.840 -0.176 0.000 0.747 349 L CB -0.608 41.347 42.059 -0.173 0.000 0.896 349 L HN 0.249 nan 8.230 nan 0.000 0.432 350 M N -0.828 118.648 119.600 -0.205 0.000 2.108 350 M HA -0.228 4.245 4.480 -0.012 0.000 0.261 350 M C 2.430 178.564 176.300 -0.275 0.000 1.066 350 M CA 1.569 56.694 55.300 -0.292 0.000 1.107 350 M CB -1.249 31.164 32.600 -0.312 0.000 1.356 350 M HN 0.336 nan 8.290 nan 0.000 0.406 351 R N -0.032 120.339 120.500 -0.215 0.000 2.070 351 R HA -0.124 4.209 4.340 -0.012 0.000 0.233 351 R C 2.099 178.295 176.300 -0.173 0.000 1.137 351 R CA 1.630 57.605 56.100 -0.209 0.000 0.945 351 R CB -0.173 29.960 30.300 -0.279 0.000 0.845 351 R HN 0.209 nan 8.270 nan 0.000 0.430 352 V N 1.485 121.296 119.914 -0.172 0.000 2.295 352 V HA -0.255 3.858 4.120 -0.012 0.000 0.246 352 V C 2.414 178.344 176.094 -0.274 0.000 1.049 352 V CA 1.712 63.902 62.300 -0.184 0.000 1.024 352 V CB -0.404 31.309 31.823 -0.184 0.000 0.648 352 V HN 0.347 nan 8.190 nan 0.000 0.447 353 L N -0.699 120.301 121.223 -0.371 0.000 2.056 353 L HA -0.125 4.208 4.340 -0.012 0.000 0.207 353 L C 2.392 179.071 176.870 -0.318 0.000 1.078 353 L CA 1.127 55.677 54.840 -0.483 0.000 0.749 353 L CB -0.566 41.166 42.059 -0.545 0.000 0.901 353 L HN 0.207 nan 8.230 nan 0.000 0.433 354 V N -0.581 119.191 119.914 -0.237 0.000 2.331 354 V HA -0.179 3.934 4.120 -0.012 0.000 0.242 354 V C 1.936 177.984 176.094 -0.077 0.000 1.034 354 V CA 1.657 63.880 62.300 -0.129 0.000 1.027 354 V CB -0.321 31.452 31.823 -0.083 0.000 0.667 354 V HN 0.339 nan 8.190 nan 0.000 0.457 355 D N -0.107 120.243 120.400 -0.083 0.000 2.183 355 D HA -0.006 4.627 4.640 -0.012 0.000 0.203 355 D C 1.966 178.237 176.300 -0.048 0.000 0.969 355 D CA 1.155 55.125 54.000 -0.050 0.000 0.842 355 D CB 0.115 40.882 40.800 -0.054 0.000 0.957 355 D HN 0.337 nan 8.370 nan 0.000 0.484 356 L N -0.021 121.157 121.223 -0.075 0.000 2.467 356 L HA 0.151 4.484 4.340 -0.012 0.000 0.213 356 L C 1.717 178.555 176.870 -0.052 0.000 1.053 356 L CA 0.391 55.198 54.840 -0.054 0.000 0.847 356 L CB 0.178 42.206 42.059 -0.052 0.000 1.075 356 L HN -0.196 nan 8.230 nan 0.000 0.479 357 E N 0.500 120.633 120.200 -0.113 0.000 2.474 357 E HA 0.065 4.408 4.350 -0.012 0.000 0.194 357 E C 0.058 176.622 176.600 -0.060 0.000 1.041 357 E CA -0.069 56.273 56.400 -0.097 0.000 0.874 357 E CB 0.403 29.919 29.700 -0.307 0.000 0.914 357 E HN 0.210 nan 8.360 nan 0.000 0.498 358 R N -0.052 120.408 120.500 -0.065 0.000 3.651 358 R HA -0.192 4.141 4.340 -0.012 0.000 0.292 358 R C -0.247 176.040 176.300 -0.021 0.000 1.161 358 R CA 0.284 56.369 56.100 -0.025 0.000 0.787 358 R CB -2.864 27.441 30.300 0.007 0.000 1.249 358 R HN 0.080 nan 8.270 nan 0.000 0.476 359 L N 2.174 123.355 121.223 -0.070 0.000 2.453 359 L HA 0.131 4.464 4.340 -0.012 0.000 0.261 359 L C 1.474 178.337 176.870 -0.012 0.000 1.179 359 L CA 0.318 55.128 54.840 -0.050 0.000 0.813 359 L CB 0.367 42.350 42.059 -0.126 0.000 1.110 359 L HN 0.141 nan 8.230 nan 0.000 0.466 360 D N 0.506 120.924 120.400 0.030 0.000 2.344 360 D HA -0.121 4.512 4.640 -0.012 0.000 0.244 360 D C 0.941 177.309 176.300 0.114 0.000 1.134 360 D CA -0.552 53.500 54.000 0.087 0.000 0.930 360 D CB 0.704 41.562 40.800 0.096 0.000 1.175 360 D HN 0.598 nan 8.370 nan 0.000 0.437 361 W N 1.738 123.042 121.300 0.007 0.000 2.301 361 W HA -0.242 4.411 4.660 -0.012 0.000 0.325 361 W C 1.129 177.694 176.519 0.077 0.000 1.250 361 W CA 1.978 59.335 57.345 0.019 0.000 1.261 361 W CB -0.270 29.181 29.460 -0.015 0.000 1.157 361 W HN 0.472 nan 8.180 nan 0.000 0.473 362 D N 0.172 120.770 120.400 0.331 0.000 2.149 362 D HA -0.199 4.434 4.640 -0.012 0.000 0.198 362 D C 1.878 178.286 176.300 0.181 0.000 0.990 362 D CA 1.904 56.075 54.000 0.285 0.000 0.839 362 D CB -0.371 40.564 40.800 0.225 0.000 0.948 362 D HN 0.104 nan 8.370 nan 0.000 0.460 363 K N 1.231 121.693 120.400 0.104 0.000 2.062 363 K HA 0.019 4.332 4.320 -0.012 0.000 0.205 363 K C 1.856 178.451 176.600 -0.008 0.000 1.051 363 K CA 1.332 57.652 56.287 0.055 0.000 0.941 363 K CB -0.459 32.068 32.500 0.045 0.000 0.719 363 K HN -0.011 nan 8.250 nan 0.000 0.440 364 A N 0.634 123.408 122.820 -0.077 0.000 1.902 364 A HA -0.187 4.126 4.320 -0.012 0.000 0.217 364 A C 2.230 179.718 177.584 -0.160 0.000 1.181 364 A CA 1.494 53.414 52.037 -0.194 0.000 0.623 364 A CB -1.219 17.598 19.000 -0.305 0.000 0.818 364 A HN 0.702 nan 8.150 nan 0.000 0.443 365 W N 0.651 121.747 121.300 -0.340 0.000 2.363 365 W HA -0.155 4.499 4.660 -0.011 0.000 0.296 365 W C 1.932 178.397 176.519 -0.090 0.000 1.212 365 W CA 1.776 58.971 57.345 -0.249 0.000 1.260 365 W CB -0.080 29.269 29.460 -0.184 0.000 1.131 365 W HN 0.614 nan 8.180 nan 0.000 0.530 366 E N 0.100 120.289 120.200 -0.018 0.000 2.077 366 E HA -0.210 4.133 4.350 -0.012 0.000 0.193 366 E C 2.067 178.596 176.600 -0.118 0.000 0.989 366 E CA 1.737 58.097 56.400 -0.067 0.000 0.800 366 E CB -0.262 29.457 29.700 0.032 0.000 0.746 366 E HN 0.047 nan 8.360 nan 0.000 0.452 367 V N 0.756 120.613 119.914 -0.095 0.000 2.295 367 V HA -0.261 3.852 4.120 -0.012 0.000 0.246 367 V C 2.379 178.408 176.094 -0.109 0.000 1.049 367 V CA 2.186 64.447 62.300 -0.066 0.000 1.024 367 V CB -0.769 31.005 31.823 -0.081 0.000 0.648 367 V HN 0.379 nan 8.190 nan 0.000 0.447 368 T N 0.042 114.457 114.554 -0.232 0.000 2.674 368 T HA -0.180 4.163 4.350 -0.012 0.000 0.265 368 T C 1.962 176.480 174.700 -0.304 0.000 1.039 368 T CA 1.779 63.712 62.100 -0.279 0.000 1.150 368 T CB -0.312 68.330 68.868 -0.376 0.000 0.864 368 T HN 0.267 nan 8.240 nan 0.000 0.427 369 V N 1.499 121.118 119.914 -0.491 0.000 2.287 369 V HA -0.202 3.911 4.120 -0.012 0.000 0.248 369 V C 2.399 178.453 176.094 -0.067 0.000 1.053 369 V CA 1.702 63.779 62.300 -0.373 0.000 1.027 369 V CB -0.506 31.037 31.823 -0.468 0.000 0.646 369 V HN 0.468 nan 8.190 nan 0.000 0.447 370 K N -0.573 119.773 120.400 -0.090 0.000 2.283 370 K HA -0.102 4.211 4.320 -0.012 0.000 0.202 370 K C 2.110 178.691 176.600 -0.032 0.000 1.048 370 K CA 1.578 57.800 56.287 -0.109 0.000 0.948 370 K CB -0.225 32.208 32.500 -0.112 0.000 0.742 370 K HN 0.484 nan 8.250 nan 0.000 0.458 371 T N 0.244 114.831 114.554 0.056 0.000 2.894 371 T HA 0.008 4.351 4.350 -0.012 0.000 0.258 371 T C 0.959 175.771 174.700 0.185 0.000 1.043 371 T CA 0.436 62.605 62.100 0.116 0.000 1.141 371 T CB 0.091 69.058 68.868 0.164 0.000 0.873 371 T HN 0.170 nan 8.240 nan 0.000 0.449 372 C N 2.171 121.560 119.300 0.148 0.000 2.405 372 C HA 0.885 5.338 4.460 -0.012 0.000 0.365 372 C C 0.566 175.605 174.990 0.082 0.000 1.233 372 C CA -1.194 57.886 59.018 0.104 0.000 2.230 372 C CB 0.243 27.984 27.740 0.000 0.000 2.443 372 C HN 0.598 nan 8.230 nan 0.000 0.556 373 A N 1.808 124.672 122.820 0.072 0.000 2.515 373 A HA 0.758 5.071 4.320 -0.012 0.000 0.298 373 A C -1.615 176.035 177.584 0.111 0.000 1.059 373 A CA -0.418 51.613 52.037 -0.009 0.000 0.698 373 A CB 1.056 20.050 19.000 -0.010 0.000 1.289 373 A HN 0.949 nan 8.150 nan 0.000 0.404 374 Y N 1.062 121.307 120.300 -0.091 0.000 2.376 374 Y HA 0.647 5.190 4.550 -0.011 0.000 0.340 374 Y C -0.546 175.329 175.900 -0.042 0.000 0.965 374 Y CA -0.307 57.749 58.100 -0.073 0.000 1.078 374 Y CB 2.081 40.453 38.460 -0.148 0.000 1.193 374 Y HN 0.586 nan 8.280 nan 0.000 0.452 375 T N 6.554 120.871 114.554 -0.396 0.000 2.779 375 T HA 0.209 4.552 4.350 -0.012 0.000 0.280 375 T C -0.859 173.357 174.700 -0.806 0.000 0.987 375 T CA -0.830 60.975 62.100 -0.492 0.000 0.966 375 T CB 0.579 69.399 68.868 -0.079 0.000 0.933 375 T HN 0.665 nan 8.240 nan 0.000 0.442 376 N N 1.595 119.840 118.700 -0.758 0.000 2.473 376 N HA 0.166 4.899 4.740 -0.012 0.000 0.291 376 N C -0.090 175.254 175.510 -0.276 0.000 1.083 376 N CA -0.401 52.430 53.050 -0.365 0.000 0.951 376 N CB 0.878 39.330 38.487 -0.059 0.000 1.164 376 N HN 0.675 nan 8.380 nan 0.000 0.480 377 H N 0.792 119.886 119.070 0.041 0.000 3.058 377 H HA 0.178 4.727 4.556 -0.012 0.000 0.266 377 H C -0.258 174.976 175.328 -0.158 0.000 1.135 377 H CA -0.046 55.968 56.048 -0.057 0.000 1.174 377 H CB 1.153 30.896 29.762 -0.032 0.000 1.581 377 H HN 0.523 nan 8.280 nan 0.000 0.553 378 T N 0.380 114.939 114.554 0.008 0.000 2.893 378 T HA 0.208 4.551 4.350 -0.012 0.000 0.337 378 T C 0.482 175.186 174.700 0.006 0.000 1.587 378 T CA -0.372 61.683 62.100 -0.075 0.000 1.066 378 T CB 1.339 70.154 68.868 -0.089 0.000 1.414 378 T HN -0.038 nan 8.240 nan 0.000 0.488 379 V N 1.917 121.801 119.914 -0.050 0.000 3.578 379 V HA 0.545 4.658 4.120 -0.012 0.000 0.290 379 V C 0.772 176.826 176.094 -0.066 0.000 1.376 379 V CA 0.025 62.288 62.300 -0.061 0.000 1.083 379 V CB -0.474 31.314 31.823 -0.058 0.000 0.911 379 V HN 0.701 nan 8.190 nan 0.000 0.433 380 L N 3.084 124.262 121.223 -0.075 0.000 2.534 380 L HA 0.199 4.532 4.340 -0.012 0.000 0.271 380 L C -0.598 176.277 176.870 0.007 0.000 1.178 380 L CA -0.973 53.854 54.840 -0.022 0.000 0.907 380 L CB 0.765 42.808 42.059 -0.027 0.000 1.164 380 L HN 0.147 nan 8.230 nan 0.000 0.482 381 P HA -0.204 nan 4.420 nan 0.000 0.218 381 P C 0.989 178.294 177.300 0.008 0.000 1.149 381 P CA 1.169 64.274 63.100 0.009 0.000 0.817 381 P CB 0.057 31.770 31.700 0.022 0.000 0.785 382 E N 0.401 120.641 120.200 0.067 0.000 2.478 382 E HA -0.048 4.295 4.350 -0.012 0.000 0.198 382 E C 1.577 178.173 176.600 -0.006 0.000 1.046 382 E CA 0.960 57.397 56.400 0.062 0.000 0.870 382 E CB -0.698 29.180 29.700 0.297 0.000 0.818 382 E HN 0.185 nan 8.360 nan 0.000 0.527 383 A N 1.282 124.118 122.820 0.026 0.000 2.132 383 A HA 0.208 4.521 4.320 -0.012 0.000 0.213 383 A C 1.407 178.969 177.584 -0.037 0.000 1.154 383 A CA -0.221 51.839 52.037 0.037 0.000 0.753 383 A CB -0.109 18.927 19.000 0.060 0.000 0.826 383 A HN 0.174 nan 8.150 nan 0.000 0.469 384 L N 1.466 122.617 121.223 -0.121 0.000 2.416 384 L HA 0.137 4.470 4.340 -0.012 0.000 0.272 384 L C -0.103 176.397 176.870 -0.617 0.000 1.161 384 L CA -0.172 54.529 54.840 -0.230 0.000 0.845 384 L CB 0.518 42.479 42.059 -0.165 0.000 1.119 384 L HN 0.340 nan 8.230 nan 0.000 0.464 385 E N 3.999 123.763 120.200 -0.728 0.000 2.217 385 E HA 0.214 4.557 4.350 -0.012 0.000 0.279 385 E C -0.585 175.353 176.600 -1.102 0.000 1.068 385 E CA -0.137 55.394 56.400 -1.449 0.000 0.882 385 E CB 0.698 29.966 29.700 -0.721 0.000 1.039 385 E HN 0.388 nan 8.360 nan 0.000 0.418 386 R N 3.608 123.279 120.500 -1.381 0.000 2.487 386 R HA 0.184 4.517 4.340 -0.012 0.000 0.288 386 R C -1.311 174.808 176.300 -0.302 0.000 1.394 386 R CA -0.516 55.250 56.100 -0.557 0.000 1.155 386 R CB 0.724 30.820 30.300 -0.339 0.000 1.156 386 R HN 0.459 nan 8.270 nan 0.000 0.553 387 W N 4.406 125.661 121.300 -0.075 0.000 2.304 387 W HA 0.249 4.901 4.660 -0.012 0.000 0.313 387 W C -1.847 174.652 176.519 -0.032 0.000 1.323 387 W CA -2.054 55.311 57.345 0.034 0.000 1.223 387 W CB 0.620 30.076 29.460 -0.007 0.000 1.237 387 W HN 0.243 nan 8.180 nan 0.000 0.535 388 P HA -0.105 nan 4.420 nan 0.000 0.262 388 P C 0.802 178.047 177.300 -0.091 0.000 1.182 388 P CA 0.257 63.343 63.100 -0.023 0.000 0.761 388 P CB 0.741 32.276 31.700 -0.274 0.000 0.795 389 V N 3.346 123.256 119.914 -0.007 0.000 2.407 389 V HA -0.282 3.831 4.120 -0.012 0.000 0.248 389 V C 2.156 178.256 176.094 0.011 0.000 1.055 389 V CA 2.527 64.841 62.300 0.024 0.000 1.049 389 V CB -1.685 30.213 31.823 0.124 0.000 0.662 389 V HN 0.766 nan 8.190 nan 0.000 0.455 390 H N -1.043 118.086 119.070 0.099 0.000 2.456 390 H HA -0.124 4.425 4.556 -0.012 0.000 0.296 390 H C 2.041 177.420 175.328 0.085 0.000 1.079 390 H CA 1.762 57.864 56.048 0.090 0.000 1.322 390 H CB -0.571 29.245 29.762 0.090 0.000 1.388 390 H HN 0.362 nan 8.280 nan 0.000 0.538 391 L N -0.074 120.979 121.223 -0.284 0.000 2.027 391 L HA -0.087 4.246 4.340 -0.012 0.000 0.206 391 L C 2.340 179.158 176.870 -0.086 0.000 1.074 391 L CA 1.051 55.827 54.840 -0.107 0.000 0.745 391 L CB -0.210 41.785 42.059 -0.106 0.000 0.898 391 L HN 0.339 nan 8.230 nan 0.000 0.433 392 L N -0.719 120.433 121.223 -0.119 0.000 2.141 392 L HA -0.209 4.124 4.340 -0.012 0.000 0.209 392 L C 2.405 179.212 176.870 -0.104 0.000 1.094 392 L CA 0.899 55.643 54.840 -0.159 0.000 0.763 392 L CB -0.327 41.625 42.059 -0.180 0.000 0.908 392 L HN 0.293 nan 8.230 nan 0.000 0.437 393 E N -0.374 119.808 120.200 -0.029 0.000 2.058 393 E HA -0.213 4.130 4.350 -0.012 0.000 0.194 393 E C 1.966 178.605 176.600 0.064 0.000 0.997 393 E CA 2.043 58.459 56.400 0.028 0.000 0.801 393 E CB 0.131 29.888 29.700 0.094 0.000 0.746 393 E HN 0.417 nan 8.360 nan 0.000 0.450 394 T N 0.664 115.279 114.554 0.101 0.000 2.770 394 T HA -0.097 4.246 4.350 -0.012 0.000 0.258 394 T C 1.777 176.585 174.700 0.180 0.000 1.039 394 T CA 0.806 63.018 62.100 0.186 0.000 1.143 394 T CB -0.205 68.806 68.868 0.238 0.000 0.866 394 T HN 0.054 nan 8.240 nan 0.000 0.428 395 L N -0.022 121.206 121.223 0.007 0.000 2.095 395 L HA 0.311 4.644 4.340 -0.012 0.000 0.204 395 L C 0.521 177.331 176.870 -0.100 0.000 1.080 395 L CA 1.607 56.332 54.840 -0.193 0.000 0.759 395 L CB -0.016 41.895 42.059 -0.247 0.000 0.914 395 L HN 0.188 nan 8.230 nan 0.000 0.439 396 L N 0.514 121.639 121.223 -0.164 0.000 2.625 396 L HA 0.280 4.613 4.340 -0.012 0.000 0.255 396 L C -1.668 175.011 176.870 -0.318 0.000 1.493 396 L CA -0.978 53.677 54.840 -0.309 0.000 0.796 396 L CB 0.785 42.533 42.059 -0.519 0.000 1.064 396 L HN -0.042 nan 8.230 nan 0.000 0.516 397 P HA -0.215 nan 4.420 nan 0.000 0.216 397 P C 1.496 178.593 177.300 -0.337 0.000 1.150 397 P CA 1.272 64.244 63.100 -0.213 0.000 0.843 397 P CB 0.345 31.997 31.700 -0.080 0.000 0.787 398 R N -0.379 119.728 120.500 -0.655 0.000 2.075 398 R HA -0.140 4.193 4.340 -0.012 0.000 0.232 398 R C 2.358 178.348 176.300 -0.517 0.000 1.126 398 R CA 1.539 57.267 56.100 -0.620 0.000 0.963 398 R CB -1.308 28.465 30.300 -0.878 0.000 0.858 398 R HN 0.224 nan 8.270 nan 0.000 0.435 399 H N -0.157 118.605 119.070 -0.514 0.000 2.387 399 H HA -0.071 4.478 4.556 -0.012 0.000 0.299 399 H C 1.819 176.974 175.328 -0.289 0.000 1.090 399 H CA 1.629 57.459 56.048 -0.362 0.000 1.332 399 H CB -0.096 29.416 29.762 -0.415 0.000 1.386 399 H HN 0.107 nan 8.280 nan 0.000 0.516 400 L N 0.557 121.654 121.223 -0.210 0.000 2.012 400 L HA -0.266 4.067 4.340 -0.012 0.000 0.210 400 L C 1.945 178.618 176.870 -0.329 0.000 1.073 400 L CA 1.666 56.313 54.840 -0.321 0.000 0.748 400 L CB -0.320 41.571 42.059 -0.280 0.000 0.891 400 L HN 0.460 nan 8.230 nan 0.000 0.431 401 Q N -0.334 119.385 119.800 -0.135 0.000 2.096 401 Q HA -0.243 4.090 4.340 -0.012 0.000 0.204 401 Q C 2.156 178.176 176.000 0.033 0.000 0.982 401 Q CA 1.699 57.514 55.803 0.020 0.000 0.850 401 Q CB -0.133 28.618 28.738 0.022 0.000 0.901 401 Q HN 0.558 nan 8.270 nan 0.000 0.422 402 I N 0.396 120.967 120.570 0.002 0.000 2.252 402 I HA -0.268 3.895 4.170 -0.012 0.000 0.245 402 I C 2.158 178.358 176.117 0.138 0.000 1.102 402 I CA 1.013 62.402 61.300 0.148 0.000 1.385 402 I CB -0.160 37.882 38.000 0.070 0.000 1.064 402 I HN 0.188 nan 8.210 nan 0.000 0.414 403 I N -0.449 120.116 120.570 -0.008 0.000 2.226 403 I HA -0.320 3.843 4.170 -0.012 0.000 0.245 403 I C 2.422 178.550 176.117 0.019 0.000 1.100 403 I CA 1.460 62.740 61.300 -0.034 0.000 1.374 403 I CB -0.432 37.478 38.000 -0.150 0.000 1.057 403 I HN 0.158 nan 8.210 nan 0.000 0.413 404 Y N 0.895 121.201 120.300 0.010 0.000 2.181 404 Y HA -0.276 4.267 4.550 -0.012 0.000 0.288 404 Y C 2.617 178.481 175.900 -0.059 0.000 1.146 404 Y CA 1.542 59.633 58.100 -0.016 0.000 1.164 404 Y CB -0.796 37.648 38.460 -0.027 0.000 0.982 404 Y HN 0.188 nan 8.280 nan 0.000 0.515 405 E N 0.331 120.567 120.200 0.060 0.000 2.106 405 E HA -0.135 4.208 4.350 -0.012 0.000 0.192 405 E C 2.092 178.600 176.600 -0.153 0.000 0.984 405 E CA 1.140 57.429 56.400 -0.185 0.000 0.806 405 E CB -0.525 28.884 29.700 -0.485 0.000 0.750 405 E HN 0.471 nan 8.360 nan 0.000 0.458 406 I N 0.641 121.231 120.570 0.034 0.000 2.163 406 I HA -0.302 3.861 4.170 -0.012 0.000 0.243 406 I C 2.273 178.390 176.117 0.001 0.000 1.085 406 I CA 1.452 62.728 61.300 -0.041 0.000 1.347 406 I CB -0.390 37.605 38.000 -0.009 0.000 1.044 406 I HN 0.205 nan 8.210 nan 0.000 0.408 407 N N 0.668 119.416 118.700 0.081 0.000 2.084 407 N HA -0.267 4.466 4.740 -0.012 0.000 0.190 407 N C 1.852 177.450 175.510 0.146 0.000 1.030 407 N CA 1.583 54.731 53.050 0.164 0.000 0.849 407 N CB -0.152 38.448 38.487 0.187 0.000 1.012 407 N HN 0.306 nan 8.380 nan 0.000 0.423 408 Q N 0.061 119.892 119.800 0.052 0.000 2.030 408 Q HA -0.134 4.199 4.340 -0.012 0.000 0.204 408 Q C 2.057 178.041 176.000 -0.027 0.000 0.986 408 Q CA 1.662 57.458 55.803 -0.011 0.000 0.843 408 Q CB -0.026 28.665 28.738 -0.079 0.000 0.904 408 Q HN 0.357 nan 8.270 nan 0.000 0.420 409 R N -0.785 119.674 120.500 -0.069 0.000 2.092 409 R HA -0.124 4.209 4.340 -0.012 0.000 0.231 409 R C 2.148 178.465 176.300 0.028 0.000 1.119 409 R CA 1.297 57.352 56.100 -0.074 0.000 0.970 409 R CB -0.352 29.847 30.300 -0.169 0.000 0.864 409 R HN 0.293 nan 8.270 nan 0.000 0.440 410 F N 1.314 121.234 119.950 -0.050 0.000 2.113 410 F HA -0.089 4.431 4.527 -0.012 0.000 0.297 410 F C 1.799 177.619 175.800 0.034 0.000 1.103 410 F CA 1.332 59.351 58.000 0.031 0.000 1.248 410 F CB -0.119 38.931 39.000 0.084 0.000 0.999 410 F HN -0.115 nan 8.300 nan 0.000 0.475 411 L N -0.048 121.188 121.223 0.022 0.000 2.201 411 L HA -0.204 4.129 4.340 -0.012 0.000 0.212 411 L C 1.921 178.727 176.870 -0.107 0.000 1.105 411 L CA 1.382 56.177 54.840 -0.075 0.000 0.775 411 L CB -0.869 41.209 42.059 0.032 0.000 0.913 411 L HN 0.242 nan 8.230 nan 0.000 0.440 412 N N -0.058 118.595 118.700 -0.079 0.000 2.120 412 N HA -0.177 4.556 4.740 -0.012 0.000 0.188 412 N C 1.923 177.374 175.510 -0.098 0.000 1.024 412 N CA 0.878 53.883 53.050 -0.076 0.000 0.852 412 N CB -0.031 38.419 38.487 -0.062 0.000 1.003 412 N HN 0.246 nan 8.380 nan 0.000 0.424 413 R N 0.523 120.942 120.500 -0.134 0.000 2.081 413 R HA -0.051 4.282 4.340 -0.012 0.000 0.235 413 R C 2.148 178.339 176.300 -0.180 0.000 1.131 413 R CA 0.830 56.843 56.100 -0.146 0.000 0.960 413 R CB -0.242 29.972 30.300 -0.142 0.000 0.856 413 R HN 0.076 nan 8.270 nan 0.000 0.436 414 V N 0.707 120.459 119.914 -0.270 0.000 2.295 414 V HA -0.239 3.874 4.120 -0.012 0.000 0.246 414 V C 2.376 178.460 176.094 -0.016 0.000 1.049 414 V CA 1.989 64.197 62.300 -0.154 0.000 1.024 414 V CB -0.736 30.932 31.823 -0.259 0.000 0.648 414 V HN 0.423 nan 8.190 nan 0.000 0.447 415 A N -0.029 122.757 122.820 -0.056 0.000 1.933 415 A HA -0.106 4.207 4.320 -0.012 0.000 0.218 415 A C 2.354 179.916 177.584 -0.036 0.000 1.175 415 A CA 2.101 54.122 52.037 -0.026 0.000 0.628 415 A CB -0.661 18.316 19.000 -0.038 0.000 0.814 415 A HN 0.586 nan 8.150 nan 0.000 0.444 416 A N -0.722 122.058 122.820 -0.067 0.000 2.016 416 A HA 0.354 4.667 4.320 -0.012 0.000 0.217 416 A C 2.334 179.836 177.584 -0.136 0.000 1.162 416 A CA 1.579 53.566 52.037 -0.083 0.000 0.662 416 A CB -0.591 18.363 19.000 -0.076 0.000 0.812 416 A HN 0.920 nan 8.150 nan 0.000 0.450 417 A N -1.491 121.215 122.820 -0.191 0.000 1.975 417 A HA 0.397 4.710 4.320 -0.012 0.000 0.215 417 A C 0.399 177.571 177.584 -0.688 0.000 1.170 417 A CA 0.474 52.247 52.037 -0.441 0.000 0.656 417 A CB -0.123 18.569 19.000 -0.513 0.000 0.821 417 A HN 0.399 nan 8.150 nan 0.000 0.449 418 F N 0.378 120.278 119.950 -0.082 0.000 2.531 418 F HA 0.353 4.873 4.527 -0.012 0.000 0.333 418 F C -2.779 172.983 175.800 -0.064 0.000 1.292 418 F CA -2.800 55.157 58.000 -0.072 0.000 1.184 418 F CB 0.978 39.927 39.000 -0.085 0.000 1.426 418 F HN -0.051 nan 8.300 nan 0.000 0.559 419 P HA 0.247 nan 4.420 nan 0.000 0.271 419 P C 0.962 178.280 177.300 0.031 0.000 1.220 419 P CA 0.641 63.752 63.100 0.018 0.000 0.768 419 P CB 1.107 32.798 31.700 -0.015 0.000 0.848 420 G N 2.414 111.226 108.800 0.020 0.000 2.179 420 G HA2 -0.234 3.719 3.960 -0.012 0.000 0.260 420 G HA3 -0.234 3.719 3.960 -0.012 0.000 0.260 420 G C 0.281 175.190 174.900 0.015 0.000 0.977 420 G CA -0.042 45.066 45.100 0.013 0.000 0.641 420 G HN 0.592 nan 8.290 nan 0.000 0.533 421 D N 1.442 121.859 120.400 0.028 0.000 2.551 421 D HA 0.380 5.013 4.640 -0.012 0.000 0.223 421 D C 2.138 178.428 176.300 -0.016 0.000 1.144 421 D CA 0.396 54.399 54.000 0.005 0.000 1.025 421 D CB 0.327 41.130 40.800 0.005 0.000 1.085 421 D HN 0.554 nan 8.370 nan 0.000 0.506 422 V N 0.481 120.388 119.914 -0.012 0.000 2.490 422 V HA -0.164 3.949 4.120 -0.012 0.000 0.250 422 V C 1.787 177.870 176.094 -0.018 0.000 1.061 422 V CA 1.557 63.850 62.300 -0.013 0.000 1.064 422 V CB -0.464 31.355 31.823 -0.007 0.000 0.670 422 V HN 0.208 nan 8.190 nan 0.000 0.461 423 D N 0.272 120.657 120.400 -0.024 0.000 2.183 423 D HA -0.137 4.496 4.640 -0.012 0.000 0.203 423 D C 2.339 178.612 176.300 -0.045 0.000 0.969 423 D CA 1.096 55.081 54.000 -0.025 0.000 0.842 423 D CB -0.184 40.602 40.800 -0.022 0.000 0.957 423 D HN 0.410 nan 8.370 nan 0.000 0.484 424 R N -0.081 120.368 120.500 -0.085 0.000 2.091 424 R HA -0.111 4.222 4.340 -0.012 0.000 0.238 424 R C 2.209 178.439 176.300 -0.116 0.000 1.136 424 R CA 0.952 56.964 56.100 -0.148 0.000 0.959 424 R CB -0.262 29.890 30.300 -0.247 0.000 0.856 424 R HN 0.261 nan 8.270 nan 0.000 0.437 425 L N 0.506 121.687 121.223 -0.070 0.000 2.012 425 L HA -0.215 4.118 4.340 -0.012 0.000 0.210 425 L C 2.669 179.544 176.870 0.009 0.000 1.073 425 L CA 1.936 56.755 54.840 -0.036 0.000 0.748 425 L CB -0.444 41.604 42.059 -0.019 0.000 0.891 425 L HN 0.295 nan 8.230 nan 0.000 0.431 426 R N -0.160 120.351 120.500 0.017 0.000 2.153 426 R HA -0.061 4.272 4.340 -0.012 0.000 0.218 426 R C 2.156 178.507 176.300 0.085 0.000 1.072 426 R CA 0.776 56.908 56.100 0.054 0.000 0.990 426 R CB -0.472 29.854 30.300 0.043 0.000 0.889 426 R HN 0.172 nan 8.270 nan 0.000 0.452 427 R N 0.237 120.768 120.500 0.052 0.000 2.092 427 R HA 0.093 4.426 4.340 -0.012 0.000 0.231 427 R C 1.936 178.312 176.300 0.126 0.000 1.119 427 R CA 1.794 57.947 56.100 0.090 0.000 0.970 427 R CB -0.178 30.134 30.300 0.021 0.000 0.864 427 R HN 0.328 nan 8.270 nan 0.000 0.440 428 M N -0.032 119.565 119.600 -0.005 0.000 2.509 428 M HA 0.054 4.527 4.480 -0.012 0.000 0.250 428 M C 0.784 177.219 176.300 0.226 0.000 1.132 428 M CA -0.032 55.199 55.300 -0.114 0.000 1.080 428 M CB 0.556 32.933 32.600 -0.371 0.000 1.408 428 M HN -0.094 nan 8.290 nan 0.000 0.484 429 S N 1.189 117.043 115.700 0.258 0.000 2.552 429 S HA 0.073 4.536 4.470 -0.012 0.000 0.289 429 S C 1.157 176.008 174.600 0.419 0.000 1.304 429 S CA -0.257 58.124 58.200 0.302 0.000 1.063 429 S CB 0.535 63.858 63.200 0.205 0.000 0.848 429 S HN 0.368 nan 8.310 nan 0.000 0.499 430 L N 4.371 125.790 121.223 0.328 0.000 2.291 430 L HA 0.095 4.428 4.340 -0.012 0.000 0.214 430 L C 0.385 177.356 176.870 0.169 0.000 1.120 430 L CA 0.287 55.275 54.840 0.247 0.000 0.799 430 L CB -0.517 41.626 42.059 0.139 0.000 0.925 430 L HN 0.394 nan 8.230 nan 0.000 0.446 431 V N 1.095 121.124 119.914 0.191 0.000 2.385 431 V HA 0.138 4.251 4.120 -0.012 0.000 0.269 431 V C 0.130 176.312 176.094 0.146 0.000 1.043 431 V CA -0.488 61.916 62.300 0.173 0.000 0.906 431 V CB 1.087 33.052 31.823 0.236 0.000 0.995 431 V HN 0.192 nan 8.190 nan 0.000 0.467 432 E N 3.583 123.849 120.200 0.109 0.000 2.130 432 E HA 0.346 4.689 4.350 -0.012 0.000 0.284 432 E C -0.651 176.001 176.600 0.087 0.000 1.018 432 E CA -0.490 55.965 56.400 0.091 0.000 0.817 432 E CB 1.470 31.203 29.700 0.055 0.000 1.078 432 E HN 0.622 nan 8.360 nan 0.000 0.396 433 E N 1.215 121.464 120.200 0.081 0.000 2.331 433 E HA 0.535 4.878 4.350 -0.012 0.000 0.272 433 E C 0.116 176.753 176.600 0.062 0.000 1.036 433 E CA 0.165 56.607 56.400 0.070 0.000 0.864 433 E CB 1.551 31.287 29.700 0.058 0.000 1.035 433 E HN 0.633 nan 8.360 nan 0.000 0.408 434 G N 0.407 109.244 108.800 0.061 0.000 2.393 434 G HA2 0.374 4.326 3.960 -0.012 0.000 0.264 434 G HA3 0.374 4.326 3.960 -0.012 0.000 0.264 434 G C 0.265 175.199 174.900 0.057 0.000 1.221 434 G CA -0.057 45.077 45.100 0.055 0.000 0.912 434 G HN 0.495 nan 8.290 nan 0.000 0.483 435 A N -0.989 121.864 122.820 0.056 0.000 1.865 435 A HA 0.330 4.643 4.320 -0.012 0.000 0.217 435 A C 1.508 179.135 177.584 0.072 0.000 1.191 435 A CA 3.047 55.117 52.037 0.056 0.000 0.623 435 A CB -1.108 17.923 19.000 0.052 0.000 0.826 435 A HN 2.102 nan 8.150 nan 0.000 0.444 436 V N -2.937 117.031 119.914 0.091 0.000 2.495 436 V HA 0.515 4.628 4.120 -0.012 0.000 0.298 436 V C -0.470 175.695 176.094 0.119 0.000 1.031 436 V CA -1.409 60.968 62.300 0.127 0.000 0.871 436 V CB 1.443 33.372 31.823 0.176 0.000 0.988 436 V HN 0.272 nan 8.190 nan 0.000 0.432 437 K N 3.991 124.470 120.400 0.132 0.000 2.401 437 K HA 0.420 4.733 4.320 -0.012 0.000 0.278 437 K C -0.297 176.372 176.600 0.115 0.000 1.018 437 K CA -0.024 56.337 56.287 0.123 0.000 0.981 437 K CB 0.773 33.359 32.500 0.142 0.000 0.933 437 K HN 0.734 nan 8.250 nan 0.000 0.477 438 R N 1.858 122.413 120.500 0.092 0.000 2.807 438 R HA 0.465 4.798 4.340 -0.012 0.000 0.276 438 R C -0.536 175.798 176.300 0.057 0.000 0.979 438 R CA -1.005 55.136 56.100 0.068 0.000 0.928 438 R CB 1.341 31.659 30.300 0.031 0.000 1.191 438 R HN 0.377 nan 8.270 nan 0.000 0.471 439 I N 2.054 122.653 120.570 0.049 0.000 2.321 439 I HA 0.150 4.313 4.170 -0.012 0.000 0.291 439 I C -0.080 176.014 176.117 -0.038 0.000 0.998 439 I CA -0.670 60.645 61.300 0.024 0.000 1.227 439 I CB 1.053 39.066 38.000 0.022 0.000 1.368 439 I HN 0.492 nan 8.210 nan 0.000 0.466 440 N N 7.113 125.760 118.700 -0.089 0.000 2.415 440 N HA 0.113 4.846 4.740 -0.012 0.000 0.246 440 N C 0.741 176.136 175.510 -0.192 0.000 1.078 440 N CA -0.323 52.590 53.050 -0.228 0.000 0.942 440 N CB 1.034 39.247 38.487 -0.456 0.000 1.140 440 N HN 0.386 nan 8.380 nan 0.000 0.501 441 M N 2.377 121.867 119.600 -0.184 0.000 2.319 441 M HA -0.013 4.460 4.480 -0.012 0.000 0.265 441 M C 1.904 178.046 176.300 -0.264 0.000 1.068 441 M CA 0.559 55.772 55.300 -0.146 0.000 1.118 441 M CB -1.434 31.135 32.600 -0.051 0.000 1.395 441 M HN 0.597 nan 8.290 nan 0.000 0.435 442 A N -0.340 122.310 122.820 -0.284 0.000 1.898 442 A HA -0.167 4.146 4.320 -0.012 0.000 0.216 442 A C 1.971 179.290 177.584 -0.441 0.000 1.181 442 A CA 1.439 53.256 52.037 -0.367 0.000 0.620 442 A CB -1.099 17.880 19.000 -0.035 0.000 0.819 442 A HN 0.584 nan 8.150 nan 0.000 0.442 443 H N -1.058 117.765 119.070 -0.412 0.000 2.357 443 H HA -0.022 4.527 4.556 -0.012 0.000 0.301 443 H C 2.132 177.210 175.328 -0.417 0.000 1.082 443 H CA 0.888 56.648 56.048 -0.478 0.000 1.342 443 H CB -0.063 29.638 29.762 -0.101 0.000 1.389 443 H HN 0.358 nan 8.280 nan 0.000 0.511 444 L N 0.481 121.605 121.223 -0.166 0.000 2.012 444 L HA -0.251 4.082 4.340 -0.012 0.000 0.210 444 L C 2.293 179.019 176.870 -0.241 0.000 1.073 444 L CA 1.464 56.210 54.840 -0.158 0.000 0.748 444 L CB -0.468 41.526 42.059 -0.107 0.000 0.891 444 L HN 0.458 nan 8.230 nan 0.000 0.431 445 C N 0.021 119.075 119.300 -0.409 0.000 2.429 445 C HA -0.185 4.268 4.460 -0.012 0.000 0.277 445 C C 2.678 177.404 174.990 -0.439 0.000 1.262 445 C CA 0.696 59.395 59.018 -0.532 0.000 1.733 445 C CB -0.776 26.275 27.740 -1.148 0.000 2.010 445 C HN 0.518 nan 8.230 nan 0.000 0.483 446 I N 1.328 121.586 120.570 -0.521 0.000 2.179 446 I HA -0.197 3.966 4.170 -0.012 0.000 0.242 446 I C 2.742 178.715 176.117 -0.240 0.000 1.088 446 I CA 1.650 62.697 61.300 -0.423 0.000 1.357 446 I CB -0.553 37.057 38.000 -0.649 0.000 1.051 446 I HN 0.272 nan 8.210 nan 0.000 0.409 447 A N 0.578 123.233 122.820 -0.274 0.000 1.933 447 A HA -0.093 4.220 4.320 -0.012 0.000 0.218 447 A C 2.256 179.893 177.584 0.088 0.000 1.175 447 A CA 1.862 53.800 52.037 -0.165 0.000 0.628 447 A CB -1.181 17.508 19.000 -0.517 0.000 0.814 447 A HN 0.476 nan 8.150 nan 0.000 0.444 448 G N -1.209 107.572 108.800 -0.031 0.000 3.141 448 G HA2 0.384 4.337 3.960 -0.012 0.000 0.218 448 G HA3 0.384 4.337 3.960 -0.012 0.000 0.218 448 G C 0.191 174.924 174.900 -0.277 0.000 1.170 448 G CA 0.506 45.462 45.100 -0.240 0.000 0.769 448 G HN 0.358 nan 8.290 nan 0.000 0.546 449 S N -0.182 115.414 115.700 -0.174 0.000 2.503 449 S HA 0.302 4.765 4.470 -0.012 0.000 0.301 449 S C 0.851 175.399 174.600 -0.087 0.000 1.087 449 S CA -0.684 57.437 58.200 -0.131 0.000 1.042 449 S CB 1.256 64.380 63.200 -0.127 0.000 1.043 449 S HN 0.513 nan 8.310 nan 0.000 0.489 450 H N 0.236 119.269 119.070 -0.061 0.000 2.548 450 H HA 0.427 4.976 4.556 -0.012 0.000 0.268 450 H C 0.149 175.468 175.328 -0.014 0.000 0.975 450 H CA 0.407 56.448 56.048 -0.011 0.000 1.195 450 H CB 0.140 29.909 29.762 0.011 0.000 1.397 450 H HN 0.513 nan 8.280 nan 0.000 0.572 451 A N 0.931 123.454 122.820 -0.494 0.000 2.488 451 A HA 0.552 4.865 4.320 -0.012 0.000 0.298 451 A C -1.440 175.943 177.584 -0.336 0.000 1.044 451 A CA -0.577 51.218 52.037 -0.402 0.000 0.693 451 A CB 2.228 20.948 19.000 -0.466 0.000 1.272 451 A HN 0.099 nan 8.150 nan 0.000 0.402 452 V N 4.187 123.867 119.914 -0.391 0.000 2.525 452 V HA 0.525 4.638 4.120 -0.012 0.000 0.299 452 V C -0.785 175.117 176.094 -0.320 0.000 1.034 452 V CA -0.761 61.300 62.300 -0.398 0.000 0.863 452 V CB 1.808 33.230 31.823 -0.669 0.000 0.999 452 V HN 1.005 nan 8.190 nan 0.000 0.423 453 N N 3.312 121.847 118.700 -0.276 0.000 2.238 453 N HA 0.584 5.317 4.740 -0.012 0.000 0.302 453 N C -0.200 175.202 175.510 -0.181 0.000 1.072 453 N CA -0.353 52.575 53.050 -0.203 0.000 0.792 453 N CB 2.845 41.192 38.487 -0.234 0.000 1.425 453 N HN 0.624 nan 8.380 nan 0.000 0.478 454 G N -0.582 108.141 108.800 -0.128 0.000 2.557 454 G HA2 0.403 4.356 3.960 -0.012 0.000 0.292 454 G HA3 0.403 4.356 3.960 -0.012 0.000 0.292 454 G C 0.822 175.772 174.900 0.082 0.000 1.237 454 G CA -0.373 44.690 45.100 -0.061 0.000 0.978 454 G HN 0.659 nan 8.290 nan 0.000 0.498 455 V N -4.010 116.079 119.914 0.292 0.000 3.477 455 V HA 0.702 4.815 4.120 -0.012 0.000 0.297 455 V C 0.580 176.762 176.094 0.146 0.000 1.433 455 V CA 0.493 62.890 62.300 0.162 0.000 1.052 455 V CB -0.603 31.279 31.823 0.097 0.000 0.895 455 V HN 1.295 nan 8.190 nan 0.000 0.438 456 A N 0.007 122.922 122.820 0.159 0.000 2.604 456 A HA 0.656 4.969 4.320 -0.012 0.000 0.295 456 A C 0.739 178.372 177.584 0.083 0.000 1.067 456 A CA -0.133 51.971 52.037 0.112 0.000 0.683 456 A CB 1.347 20.402 19.000 0.092 0.000 1.281 456 A HN 0.022 nan 8.150 nan 0.000 0.407 457 R N 0.797 121.325 120.500 0.046 0.000 2.096 457 R HA -0.163 4.170 4.340 -0.012 0.000 0.240 457 R C 1.563 177.860 176.300 -0.004 0.000 1.139 457 R CA 2.306 58.410 56.100 0.008 0.000 0.952 457 R CB -0.207 30.093 30.300 0.001 0.000 0.854 457 R HN 0.824 nan 8.270 nan 0.000 0.436 458 I N 0.162 120.739 120.570 0.012 0.000 2.315 458 I HA -0.272 3.891 4.170 -0.012 0.000 0.248 458 I C 2.331 178.458 176.117 0.016 0.000 1.117 458 I CA 1.659 62.958 61.300 -0.000 0.000 1.404 458 I CB -0.245 37.753 38.000 -0.003 0.000 1.071 458 I HN 0.331 nan 8.210 nan 0.000 0.419 459 H N 0.453 119.493 119.070 -0.051 0.000 2.321 459 H HA -0.139 4.410 4.556 -0.012 0.000 0.300 459 H C 2.264 177.553 175.328 -0.066 0.000 1.087 459 H CA 2.232 58.243 56.048 -0.062 0.000 1.319 459 H CB -0.273 29.457 29.762 -0.052 0.000 1.379 459 H HN 0.229 nan 8.280 nan 0.000 0.501 460 S N 0.247 115.828 115.700 -0.198 0.000 2.382 460 S HA -0.115 4.348 4.470 -0.012 0.000 0.228 460 S C 1.904 176.384 174.600 -0.199 0.000 1.027 460 S CA 1.158 59.219 58.200 -0.230 0.000 0.991 460 S CB -0.047 63.085 63.200 -0.113 0.000 0.823 460 S HN 0.482 nan 8.310 nan 0.000 0.469 461 E N 1.247 121.354 120.200 -0.155 0.000 2.072 461 E HA 0.003 4.346 4.350 -0.012 0.000 0.191 461 E C 2.029 178.522 176.600 -0.180 0.000 0.985 461 E CA 0.652 56.953 56.400 -0.165 0.000 0.801 461 E CB -0.417 29.217 29.700 -0.111 0.000 0.750 461 E HN 0.500 nan 8.360 nan 0.000 0.452 462 I N 1.059 121.539 120.570 -0.150 0.000 2.264 462 I HA -0.281 3.882 4.170 -0.012 0.000 0.248 462 I C 2.399 178.396 176.117 -0.199 0.000 1.111 462 I CA 0.833 62.048 61.300 -0.141 0.000 1.382 462 I CB -0.230 37.721 38.000 -0.083 0.000 1.060 462 I HN 0.062 nan 8.210 nan 0.000 0.418 463 L N 0.307 121.370 121.223 -0.266 0.000 2.046 463 L HA -0.213 4.120 4.340 -0.012 0.000 0.208 463 L C 2.492 179.246 176.870 -0.193 0.000 1.077 463 L CA 1.511 56.193 54.840 -0.263 0.000 0.747 463 L CB -0.520 41.429 42.059 -0.183 0.000 0.896 463 L HN 0.207 nan 8.230 nan 0.000 0.432 464 K N -0.176 120.043 120.400 -0.302 0.000 2.217 464 K HA -0.109 4.204 4.320 -0.012 0.000 0.202 464 K C 2.013 178.426 176.600 -0.311 0.000 1.051 464 K CA 0.865 56.837 56.287 -0.526 0.000 0.952 464 K CB 0.085 32.020 32.500 -0.940 0.000 0.736 464 K HN 0.259 nan 8.250 nan 0.000 0.453 465 K N 0.027 120.299 120.400 -0.212 0.000 2.284 465 K HA -0.019 4.294 4.320 -0.012 0.000 0.198 465 K C 1.871 178.424 176.600 -0.078 0.000 1.048 465 K CA 1.307 57.521 56.287 -0.121 0.000 0.987 465 K CB 0.517 32.954 32.500 -0.106 0.000 0.800 465 K HN 0.267 nan 8.250 nan 0.000 0.486 466 T N -1.235 113.262 114.554 -0.096 0.000 3.066 466 T HA 0.065 4.408 4.350 -0.012 0.000 0.176 466 T C 1.939 176.605 174.700 -0.058 0.000 0.826 466 T CA -0.027 62.029 62.100 -0.072 0.000 1.280 466 T CB -0.780 68.037 68.868 -0.084 0.000 2.214 466 T HN 0.097 nan 8.240 nan 0.000 0.399 467 I N -0.913 119.566 120.570 -0.151 0.000 2.361 467 I HA 0.195 4.358 4.170 -0.012 0.000 0.251 467 I C 1.504 177.668 176.117 0.080 0.000 1.133 467 I CA 1.406 62.615 61.300 -0.152 0.000 1.413 467 I CB -0.646 37.126 38.000 -0.379 0.000 1.073 467 I HN 0.254 nan 8.210 nan 0.000 0.424 468 F N 0.910 120.940 119.950 0.133 0.000 2.708 468 F HA 0.321 4.840 4.527 -0.012 0.000 0.300 468 F C 2.064 177.955 175.800 0.152 0.000 1.118 468 F CA -0.644 57.502 58.000 0.245 0.000 1.307 468 F CB 0.130 39.293 39.000 0.270 0.000 0.986 468 F HN -0.069 nan 8.300 nan 0.000 0.522 469 K N 1.156 121.679 120.400 0.204 0.000 2.020 469 K HA -0.226 4.087 4.320 -0.012 0.000 0.212 469 K C 1.327 177.979 176.600 0.087 0.000 1.050 469 K CA 2.262 58.607 56.287 0.097 0.000 0.929 469 K CB -0.052 32.471 32.500 0.038 0.000 0.714 469 K HN 0.152 nan 8.250 nan 0.000 0.443 470 D N -0.118 120.306 120.400 0.041 0.000 2.123 470 D HA -0.171 4.462 4.640 -0.012 0.000 0.196 470 D C 1.828 178.025 176.300 -0.171 0.000 0.992 470 D CA 1.294 55.188 54.000 -0.177 0.000 0.833 470 D CB -0.326 40.273 40.800 -0.334 0.000 0.954 470 D HN 0.257 nan 8.370 nan 0.000 0.455 471 F N -0.292 119.718 119.950 0.100 0.000 2.206 471 F HA -0.124 4.396 4.527 -0.012 0.000 0.298 471 F C 2.325 178.234 175.800 0.183 0.000 1.090 471 F CA 0.430 58.564 58.000 0.223 0.000 1.323 471 F CB -0.642 38.562 39.000 0.340 0.000 1.028 471 F HN -0.043 nan 8.300 nan 0.000 0.492 472 Y N 1.400 121.622 120.300 -0.129 0.000 2.224 472 Y HA -0.203 4.340 4.550 -0.012 0.000 0.289 472 Y C 2.091 177.938 175.900 -0.089 0.000 1.146 472 Y CA 1.638 59.458 58.100 -0.466 0.000 1.182 472 Y CB -0.598 37.440 38.460 -0.703 0.000 0.983 472 Y HN 0.139 nan 8.280 nan 0.000 0.524 473 E N -0.476 119.637 120.200 -0.145 0.000 2.106 473 E HA -0.174 4.169 4.350 -0.012 0.000 0.192 473 E C 2.001 178.648 176.600 0.078 0.000 0.984 473 E CA 1.099 57.438 56.400 -0.102 0.000 0.806 473 E CB -0.259 29.427 29.700 -0.025 0.000 0.750 473 E HN 0.417 nan 8.360 nan 0.000 0.458 474 L N 1.039 122.346 121.223 0.140 0.000 2.044 474 L HA -0.071 4.262 4.340 -0.012 0.000 0.205 474 L C 0.273 177.225 176.870 0.137 0.000 1.075 474 L CA 1.754 56.720 54.840 0.210 0.000 0.747 474 L CB 0.319 42.490 42.059 0.187 0.000 0.903 474 L HN -0.094 nan 8.230 nan 0.000 0.435 475 E N -0.201 120.078 120.200 0.132 0.000 3.108 475 E HA 0.185 4.528 4.350 -0.012 0.000 0.228 475 E C -1.976 174.583 176.600 -0.067 0.000 1.176 475 E CA -1.258 55.140 56.400 -0.002 0.000 0.881 475 E CB 0.846 30.552 29.700 0.010 0.000 1.354 475 E HN 0.220 nan 8.360 nan 0.000 0.400 476 P HA -0.222 nan 4.420 nan 0.000 0.220 476 P C 1.121 178.542 177.300 0.202 0.000 1.148 476 P CA 1.281 64.316 63.100 -0.109 0.000 0.803 476 P CB -0.006 31.510 31.700 -0.306 0.000 0.782 477 H N 0.020 119.214 119.070 0.207 0.000 2.495 477 H HA 0.116 4.665 4.556 -0.012 0.000 0.287 477 H C 1.419 176.851 175.328 0.174 0.000 1.033 477 H CA 0.651 56.803 56.048 0.173 0.000 1.307 477 H CB -0.604 29.227 29.762 0.114 0.000 1.401 477 H HN 0.143 nan 8.280 nan 0.000 0.555 478 K N 0.328 120.659 120.400 -0.115 0.000 2.288 478 K HA 0.032 4.345 4.320 -0.012 0.000 0.201 478 K C -0.226 176.251 176.600 -0.205 0.000 1.048 478 K CA 0.341 56.535 56.287 -0.156 0.000 0.956 478 K CB 0.096 32.383 32.500 -0.355 0.000 0.746 478 K HN 0.113 nan 8.250 nan 0.000 0.461 479 F N 1.657 121.639 119.950 0.053 0.000 2.411 479 F HA 0.203 4.723 4.527 -0.012 0.000 0.355 479 F C 0.392 176.195 175.800 0.005 0.000 1.117 479 F CA -0.373 57.657 58.000 0.050 0.000 1.139 479 F CB 1.051 40.133 39.000 0.137 0.000 1.120 479 F HN -0.131 nan 8.300 nan 0.000 0.493 480 Q N 1.902 121.728 119.800 0.043 0.000 2.528 480 Q HA 0.340 4.673 4.340 -0.012 0.000 0.289 480 Q C -1.176 174.781 176.000 -0.072 0.000 1.091 480 Q CA -1.239 54.543 55.803 -0.034 0.000 0.797 480 Q CB 3.174 31.839 28.738 -0.121 0.000 1.466 480 Q HN 0.605 nan 8.270 nan 0.000 0.436 481 N N 0.850 119.494 118.700 -0.093 0.000 2.361 481 N HA 0.264 4.997 4.740 -0.012 0.000 0.302 481 N C -1.389 174.026 175.510 -0.159 0.000 1.074 481 N CA -0.376 52.615 53.050 -0.098 0.000 0.850 481 N CB 0.951 39.402 38.487 -0.059 0.000 1.228 481 N HN 0.290 nan 8.380 nan 0.000 0.491 482 K N 2.780 123.088 120.400 -0.154 0.000 2.675 482 K HA 0.181 4.494 4.320 -0.012 0.000 0.224 482 K C -0.926 175.689 176.600 0.024 0.000 1.003 482 K CA -0.500 55.679 56.287 -0.179 0.000 1.034 482 K CB 1.276 33.448 32.500 -0.546 0.000 1.218 482 K HN 0.538 nan 8.250 nan 0.000 0.507 483 T N 2.157 116.741 114.554 0.049 0.000 2.908 483 T HA 0.033 4.376 4.350 -0.012 0.000 0.301 483 T C 0.809 175.638 174.700 0.214 0.000 1.019 483 T CA 0.390 62.568 62.100 0.130 0.000 1.152 483 T CB 0.230 69.174 68.868 0.125 0.000 0.966 483 T HN 0.367 nan 8.240 nan 0.000 0.540 484 N N 0.631 119.478 118.700 0.244 0.000 2.267 484 N HA 0.390 5.123 4.740 -0.012 0.000 0.226 484 N C 0.483 176.177 175.510 0.307 0.000 1.314 484 N CA -0.107 53.118 53.050 0.292 0.000 0.887 484 N CB 0.362 38.965 38.487 0.193 0.000 1.120 484 N HN 0.766 nan 8.380 nan 0.000 0.440 485 G N -0.678 108.309 108.800 0.313 0.000 2.649 485 G HA2 0.593 4.546 3.960 -0.012 0.000 0.290 485 G HA3 0.593 4.546 3.960 -0.012 0.000 0.290 485 G C -1.433 173.602 174.900 0.224 0.000 1.426 485 G CA -0.746 44.526 45.100 0.285 0.000 0.794 485 G HN 0.599 nan 8.290 nan 0.000 0.483 486 I N -2.302 118.385 120.570 0.195 0.000 2.828 486 I HA 0.756 4.919 4.170 -0.012 0.000 0.302 486 I C -0.136 176.140 176.117 0.265 0.000 1.101 486 I CA -0.974 60.438 61.300 0.186 0.000 1.031 486 I CB 2.470 40.473 38.000 0.005 0.000 1.231 486 I HN 0.469 nan 8.210 nan 0.000 0.427 487 T N 4.262 119.029 114.554 0.355 0.000 2.814 487 T HA 0.351 4.694 4.350 -0.012 0.000 0.297 487 T C -1.453 173.363 174.700 0.194 0.000 0.956 487 T CA -1.554 60.675 62.100 0.216 0.000 1.123 487 T CB 0.711 69.647 68.868 0.113 0.000 0.902 487 T HN 0.629 nan 8.240 nan 0.000 0.528 488 P HA 0.065 nan 4.420 nan 0.000 0.237 488 P C 1.056 178.322 177.300 -0.056 0.000 1.178 488 P CA 0.282 63.418 63.100 0.060 0.000 0.766 488 P CB 0.362 32.084 31.700 0.036 0.000 0.876 489 R N 0.426 120.846 120.500 -0.134 0.000 2.056 489 R HA 0.026 4.359 4.340 -0.012 0.000 0.227 489 R C 2.672 178.845 176.300 -0.211 0.000 1.149 489 R CA 1.482 57.459 56.100 -0.206 0.000 0.937 489 R CB -1.215 28.965 30.300 -0.201 0.000 0.835 489 R HN 0.029 nan 8.270 nan 0.000 0.430 490 R N -0.778 119.534 120.500 -0.314 0.000 2.081 490 R HA -0.132 4.201 4.340 -0.012 0.000 0.235 490 R C 1.088 177.037 176.300 -0.585 0.000 1.131 490 R CA 1.740 57.491 56.100 -0.580 0.000 0.960 490 R CB -0.170 29.563 30.300 -0.944 0.000 0.856 490 R HN 0.311 nan 8.270 nan 0.000 0.436 491 W N -0.485 120.767 121.300 -0.080 0.000 3.353 491 W HA 0.167 4.819 4.660 -0.013 0.000 0.304 491 W C 0.999 177.481 176.519 -0.061 0.000 1.273 491 W CA -0.723 56.574 57.345 -0.081 0.000 1.773 491 W CB 0.459 29.875 29.460 -0.072 0.000 1.095 491 W HN 0.219 nan 8.180 nan 0.000 0.676 492 L N -2.270 119.007 121.223 0.091 0.000 2.681 492 L HA 0.185 4.518 4.340 -0.012 0.000 0.163 492 L C 1.801 178.681 176.870 0.017 0.000 1.188 492 L CA 0.715 55.599 54.840 0.073 0.000 0.944 492 L CB -0.835 41.292 42.059 0.114 0.000 1.835 492 L HN -0.257 nan 8.230 nan 0.000 0.510 493 V N 1.099 121.000 119.914 -0.022 0.000 2.287 493 V HA -0.284 3.829 4.120 -0.012 0.000 0.248 493 V C 2.433 178.495 176.094 -0.054 0.000 1.053 493 V CA 2.518 64.795 62.300 -0.038 0.000 1.027 493 V CB -0.701 31.070 31.823 -0.087 0.000 0.646 493 V HN 0.518 nan 8.190 nan 0.000 0.447 494 L N 0.450 121.612 121.223 -0.102 0.000 2.023 494 L HA -0.182 4.151 4.340 -0.012 0.000 0.205 494 L C 2.486 179.290 176.870 -0.109 0.000 1.073 494 L CA 2.418 57.182 54.840 -0.126 0.000 0.745 494 L CB -0.272 41.661 42.059 -0.211 0.000 0.900 494 L HN 0.653 nan 8.230 nan 0.000 0.435 495 C N -1.858 117.374 119.300 -0.114 0.000 2.563 495 C HA 0.214 4.667 4.460 -0.012 0.000 0.268 495 C C 1.219 176.189 174.990 -0.034 0.000 1.365 495 C CA -0.247 58.722 59.018 -0.082 0.000 1.754 495 C CB -0.996 26.698 27.740 -0.077 0.000 1.932 495 C HN 0.602 nan 8.230 nan 0.000 0.536 496 N N 1.193 119.884 118.700 -0.015 0.000 2.703 496 N HA 0.294 5.027 4.740 -0.012 0.000 0.283 496 N C -1.746 173.772 175.510 0.013 0.000 1.851 496 N CA -1.704 51.349 53.050 0.004 0.000 0.826 496 N CB 0.685 39.183 38.487 0.017 0.000 1.239 496 N HN 0.224 nan 8.380 nan 0.000 0.495 497 P HA -0.062 nan 4.420 nan 0.000 0.216 497 P C 1.428 178.742 177.300 0.022 0.000 1.150 497 P CA 1.003 64.110 63.100 0.013 0.000 0.837 497 P CB 0.175 31.876 31.700 0.001 0.000 0.786 498 G N 0.577 109.385 108.800 0.014 0.000 2.446 498 G HA2 -0.263 3.690 3.960 -0.012 0.000 0.217 498 G HA3 -0.263 3.690 3.960 -0.012 0.000 0.217 498 G C 1.545 176.453 174.900 0.015 0.000 1.168 498 G CA 0.794 45.900 45.100 0.011 0.000 0.771 498 G HN 0.252 nan 8.290 nan 0.000 0.551 499 L N 1.208 122.441 121.223 0.017 0.000 2.072 499 L HA 0.258 4.591 4.340 -0.012 0.000 0.205 499 L C 3.099 180.004 176.870 0.057 0.000 1.079 499 L CA 2.013 56.864 54.840 0.019 0.000 0.752 499 L CB -0.709 41.359 42.059 0.016 0.000 0.906 499 L HN 0.234 nan 8.230 nan 0.000 0.436 500 A N -0.822 122.052 122.820 0.090 0.000 1.940 500 A HA -0.261 4.052 4.320 -0.012 0.000 0.219 500 A C 2.236 179.922 177.584 0.170 0.000 1.176 500 A CA 1.862 54.006 52.037 0.178 0.000 0.631 500 A CB -0.632 18.461 19.000 0.155 0.000 0.814 500 A HN 0.551 nan 8.150 nan 0.000 0.446 501 E N 0.623 120.881 120.200 0.096 0.000 2.046 501 E HA -0.136 4.207 4.350 -0.012 0.000 0.190 501 E C 1.821 178.463 176.600 0.071 0.000 0.982 501 E CA 1.481 57.927 56.400 0.077 0.000 0.800 501 E CB -0.512 29.214 29.700 0.044 0.000 0.756 501 E HN 0.740 nan 8.360 nan 0.000 0.449 502 I N -1.633 118.974 120.570 0.063 0.000 2.394 502 I HA -0.128 4.035 4.170 -0.012 0.000 0.251 502 I C 2.133 178.327 176.117 0.128 0.000 1.136 502 I CA 1.084 62.436 61.300 0.086 0.000 1.425 502 I CB -0.352 37.682 38.000 0.057 0.000 1.079 502 I HN 0.014 nan 8.210 nan 0.000 0.425 503 I N 1.976 122.598 120.570 0.088 0.000 2.202 503 I HA -0.201 3.962 4.170 -0.012 0.000 0.242 503 I C 3.011 179.089 176.117 -0.066 0.000 1.091 503 I CA 1.382 62.657 61.300 -0.042 0.000 1.368 503 I CB -0.531 37.326 38.000 -0.239 0.000 1.058 503 I HN 0.304 nan 8.210 nan 0.000 0.410 504 A N 0.383 123.263 122.820 0.099 0.000 1.933 504 A HA -0.234 4.079 4.320 -0.012 0.000 0.218 504 A C 2.174 179.792 177.584 0.057 0.000 1.175 504 A CA 1.668 53.807 52.037 0.171 0.000 0.628 504 A CB -0.613 18.511 19.000 0.206 0.000 0.814 504 A HN 0.445 nan 8.150 nan 0.000 0.444 505 E N -0.647 119.567 120.200 0.023 0.000 2.118 505 E HA -0.209 4.134 4.350 -0.012 0.000 0.195 505 E C 2.273 178.837 176.600 -0.060 0.000 0.992 505 E CA 1.281 57.678 56.400 -0.006 0.000 0.804 505 E CB -0.061 29.641 29.700 0.005 0.000 0.741 505 E HN 0.497 nan 8.360 nan 0.000 0.458 506 R N 0.085 120.488 120.500 -0.163 0.000 2.105 506 R HA 0.064 4.397 4.340 -0.012 0.000 0.214 506 R C 2.317 178.522 176.300 -0.159 0.000 1.091 506 R CA 0.909 56.831 56.100 -0.297 0.000 1.007 506 R CB -0.230 29.547 30.300 -0.871 0.000 0.912 506 R HN 0.333 nan 8.270 nan 0.000 0.450 507 I N -3.014 117.482 120.570 -0.123 0.000 4.154 507 I HA 0.436 4.599 4.170 -0.012 0.000 0.334 507 I C 0.467 176.621 176.117 0.062 0.000 1.371 507 I CA 0.065 61.349 61.300 -0.027 0.000 1.110 507 I CB 0.858 38.821 38.000 -0.061 0.000 1.085 507 I HN 0.178 nan 8.210 nan 0.000 0.398 508 G N 1.999 110.846 108.800 0.079 0.000 2.660 508 G HA2 -0.224 3.729 3.960 -0.012 0.000 0.215 508 G HA3 -0.224 3.729 3.960 -0.012 0.000 0.215 508 G C 0.001 175.027 174.900 0.210 0.000 1.345 508 G CA 0.244 45.412 45.100 0.113 0.000 0.877 508 G HN 0.423 nan 8.290 nan 0.000 0.549 509 E N -0.541 119.733 120.200 0.123 0.000 2.473 509 E HA 0.072 4.415 4.350 -0.012 0.000 0.204 509 E C 1.868 178.410 176.600 -0.096 0.000 0.994 509 E CA -0.037 56.374 56.400 0.019 0.000 0.945 509 E CB 0.242 29.948 29.700 0.009 0.000 0.990 509 E HN 0.446 nan 8.360 nan 0.000 0.493 510 E N 0.554 120.771 120.200 0.028 0.000 2.333 510 E HA -0.167 4.176 4.350 -0.012 0.000 0.198 510 E C 1.629 178.224 176.600 -0.008 0.000 1.007 510 E CA 0.728 57.138 56.400 0.017 0.000 0.845 510 E CB 0.030 29.763 29.700 0.055 0.000 0.766 510 E HN 0.497 nan 8.360 nan 0.000 0.507 511 Y N -1.265 119.040 120.300 0.008 0.000 2.421 511 Y HA -0.021 4.523 4.550 -0.010 0.000 0.292 511 Y C 1.940 177.817 175.900 -0.037 0.000 1.136 511 Y CA 0.519 58.615 58.100 -0.007 0.000 1.255 511 Y CB -0.732 37.727 38.460 -0.002 0.000 0.991 511 Y HN -0.091 nan 8.280 nan 0.000 0.552 512 I N 0.951 121.075 120.570 -0.742 0.000 2.361 512 I HA -0.242 3.921 4.170 -0.012 0.000 0.251 512 I C 1.693 177.565 176.117 -0.409 0.000 1.133 512 I CA 1.831 62.731 61.300 -0.668 0.000 1.413 512 I CB -0.380 37.132 38.000 -0.814 0.000 1.073 512 I HN 0.441 nan 8.210 nan 0.000 0.424 513 S N -1.893 113.671 115.700 -0.227 0.000 2.602 513 S HA 0.179 4.642 4.470 -0.012 0.000 0.240 513 S C 0.135 174.722 174.600 -0.022 0.000 0.992 513 S CA -0.456 57.689 58.200 -0.093 0.000 0.971 513 S CB 0.265 63.482 63.200 0.027 0.000 0.855 513 S HN 0.287 nan 8.310 nan 0.000 0.481 514 D N 0.682 121.078 120.400 -0.007 0.000 2.823 514 D HA 0.243 4.876 4.640 -0.012 0.000 0.255 514 D C 0.265 176.610 176.300 0.076 0.000 1.257 514 D CA -0.371 53.649 54.000 0.033 0.000 0.803 514 D CB 0.400 41.224 40.800 0.040 0.000 1.384 514 D HN 0.090 nan 8.370 nan 0.000 0.541 515 L N 1.241 122.508 121.223 0.073 0.000 2.362 515 L HA 0.030 4.363 4.340 -0.012 0.000 0.219 515 L C 1.465 178.386 176.870 0.085 0.000 1.134 515 L CA 1.433 56.344 54.840 0.119 0.000 0.807 515 L CB -0.033 42.090 42.059 0.106 0.000 0.927 515 L HN 0.267 nan 8.230 nan 0.000 0.447 516 D N -0.611 119.816 120.400 0.045 0.000 2.221 516 D HA -0.231 4.402 4.640 -0.012 0.000 0.204 516 D C 1.895 178.214 176.300 0.032 0.000 0.982 516 D CA 0.933 54.945 54.000 0.020 0.000 0.857 516 D CB 0.048 40.847 40.800 -0.001 0.000 0.934 516 D HN 0.550 nan 8.370 nan 0.000 0.475 517 Q N 0.007 119.843 119.800 0.061 0.000 2.368 517 Q HA -0.081 4.252 4.340 -0.012 0.000 0.210 517 Q C 2.305 178.320 176.000 0.025 0.000 0.982 517 Q CA 0.308 56.148 55.803 0.061 0.000 0.884 517 Q CB -0.035 28.769 28.738 0.110 0.000 0.933 517 Q HN 0.403 nan 8.270 nan 0.000 0.460 518 L N 0.123 121.353 121.223 0.011 0.000 2.265 518 L HA -0.189 4.144 4.340 -0.012 0.000 0.215 518 L C 2.295 179.158 176.870 -0.012 0.000 1.117 518 L CA 0.833 55.645 54.840 -0.046 0.000 0.782 518 L CB -0.383 41.656 42.059 -0.032 0.000 0.914 518 L HN 0.221 nan 8.230 nan 0.000 0.441 519 R N 0.493 120.997 120.500 0.006 0.000 2.117 519 R HA -0.199 4.134 4.340 -0.012 0.000 0.243 519 R C 2.108 178.415 176.300 0.011 0.000 1.143 519 R CA 1.267 57.372 56.100 0.010 0.000 0.968 519 R CB -0.282 30.020 30.300 0.003 0.000 0.863 519 R HN 0.406 nan 8.270 nan 0.000 0.444 520 K N 0.621 121.028 120.400 0.011 0.000 2.286 520 K HA -0.132 4.181 4.320 -0.012 0.000 0.203 520 K C 1.883 178.532 176.600 0.081 0.000 1.045 520 K CA 0.915 57.219 56.287 0.029 0.000 0.935 520 K CB -0.132 32.391 32.500 0.038 0.000 0.737 520 K HN 0.251 nan 8.250 nan 0.000 0.460 521 L N 0.405 121.659 121.223 0.052 0.000 2.376 521 L HA -0.125 4.208 4.340 -0.012 0.000 0.219 521 L C 1.844 178.787 176.870 0.121 0.000 1.133 521 L CA 0.040 54.931 54.840 0.085 0.000 0.816 521 L CB -0.250 41.813 42.059 0.007 0.000 0.933 521 L HN 0.116 nan 8.230 nan 0.000 0.449 522 L N 0.150 121.409 121.223 0.059 0.000 2.187 522 L HA -0.186 4.147 4.340 -0.012 0.000 0.213 522 L C 2.679 179.539 176.870 -0.017 0.000 1.100 522 L CA 1.921 56.780 54.840 0.032 0.000 0.765 522 L CB -0.992 41.072 42.059 0.009 0.000 0.904 522 L HN 0.367 nan 8.230 nan 0.000 0.437 523 S N -2.783 112.859 115.700 -0.096 0.000 2.603 523 S HA -0.058 4.405 4.470 -0.012 0.000 0.220 523 S C 1.162 175.491 174.600 -0.453 0.000 0.967 523 S CA 0.132 58.169 58.200 -0.272 0.000 0.920 523 S CB -0.492 62.492 63.200 -0.360 0.000 0.773 523 S HN 0.460 nan 8.310 nan 0.000 0.529 524 Y N -0.291 119.942 120.300 -0.110 0.000 2.584 524 Y HA 0.446 4.994 4.550 -0.004 0.000 0.254 524 Y C 1.849 177.793 175.900 0.073 0.000 1.177 524 Y CA -0.552 57.480 58.100 -0.113 0.000 1.216 524 Y CB 0.229 38.399 38.460 -0.484 0.000 1.172 524 Y HN 0.260 nan 8.280 nan 0.000 0.529 525 V N 0.337 120.342 119.914 0.152 0.000 2.626 525 V HA -0.185 3.928 4.120 -0.012 0.000 0.252 525 V C 0.974 177.138 176.094 0.117 0.000 1.067 525 V CA 2.133 64.524 62.300 0.151 0.000 1.081 525 V CB 0.036 31.909 31.823 0.084 0.000 0.686 525 V HN 0.340 nan 8.190 nan 0.000 0.468 526 D N -0.532 119.915 120.400 0.079 0.000 2.395 526 D HA 0.112 4.745 4.640 -0.012 0.000 0.213 526 D C 0.357 176.704 176.300 0.079 0.000 1.110 526 D CA 0.010 54.047 54.000 0.060 0.000 0.835 526 D CB 0.102 40.916 40.800 0.022 0.000 0.965 526 D HN 0.451 nan 8.370 nan 0.000 0.505 527 D N 1.417 121.899 120.400 0.137 0.000 2.336 527 D HA -0.017 4.616 4.640 -0.012 0.000 0.249 527 D C 1.058 177.465 176.300 0.178 0.000 1.213 527 D CA -0.004 54.099 54.000 0.171 0.000 0.870 527 D CB 1.608 42.579 40.800 0.284 0.000 1.076 527 D HN -0.165 nan 8.370 nan 0.000 0.483 528 E N 3.046 123.316 120.200 0.116 0.000 2.150 528 E HA -0.120 4.223 4.350 -0.012 0.000 0.193 528 E C 1.766 178.421 176.600 0.092 0.000 0.985 528 E CA 1.216 57.668 56.400 0.087 0.000 0.814 528 E CB 0.052 29.785 29.700 0.056 0.000 0.752 528 E HN 0.594 nan 8.360 nan 0.000 0.466 529 A N -0.228 122.662 122.820 0.117 0.000 1.873 529 A HA -0.141 4.171 4.320 -0.012 0.000 0.215 529 A C 2.192 179.862 177.584 0.144 0.000 1.186 529 A CA 1.285 53.388 52.037 0.111 0.000 0.616 529 A CB -0.956 18.112 19.000 0.113 0.000 0.823 529 A HN 0.439 nan 8.150 nan 0.000 0.442 530 F N 0.407 120.375 119.950 0.031 0.000 2.134 530 F HA -0.162 4.359 4.527 -0.010 0.000 0.299 530 F C 2.048 177.857 175.800 0.015 0.000 1.097 530 F CA 1.638 59.643 58.000 0.008 0.000 1.264 530 F CB -0.129 38.887 39.000 0.027 0.000 1.001 530 F HN 0.170 nan 8.300 nan 0.000 0.479 531 I N 0.342 120.945 120.570 0.054 0.000 2.118 531 I HA -0.385 3.778 4.170 -0.012 0.000 0.241 531 I C 2.620 178.683 176.117 -0.090 0.000 1.070 531 I CA 1.906 63.183 61.300 -0.040 0.000 1.327 531 I CB -0.564 37.459 38.000 0.039 0.000 1.034 531 I HN 0.112 nan 8.210 nan 0.000 0.405 532 R N 0.836 121.310 120.500 -0.043 0.000 2.096 532 R HA -0.204 4.129 4.340 -0.012 0.000 0.235 532 R C 1.812 178.062 176.300 -0.083 0.000 1.127 532 R CA 2.010 58.082 56.100 -0.046 0.000 0.968 532 R CB -0.193 30.098 30.300 -0.013 0.000 0.861 532 R HN 0.308 nan 8.270 nan 0.000 0.440 533 D N -0.110 120.219 120.400 -0.119 0.000 2.097 533 D HA -0.108 4.525 4.640 -0.012 0.000 0.197 533 D C 1.999 178.168 176.300 -0.219 0.000 0.984 533 D CA 1.286 55.200 54.000 -0.144 0.000 0.826 533 D CB -0.212 40.519 40.800 -0.114 0.000 0.973 533 D HN 0.084 nan 8.370 nan 0.000 0.460 534 V N 1.573 121.257 119.914 -0.383 0.000 2.287 534 V HA -0.275 3.838 4.120 -0.012 0.000 0.248 534 V C 2.525 178.527 176.094 -0.153 0.000 1.053 534 V CA 2.000 64.099 62.300 -0.335 0.000 1.027 534 V CB -0.846 30.707 31.823 -0.450 0.000 0.646 534 V HN 0.193 nan 8.190 nan 0.000 0.447 535 A N -0.510 122.240 122.820 -0.116 0.000 1.930 535 A HA -0.239 4.074 4.320 -0.012 0.000 0.217 535 A C 2.362 179.910 177.584 -0.060 0.000 1.175 535 A CA 2.026 54.027 52.037 -0.060 0.000 0.627 535 A CB -0.475 18.494 19.000 -0.051 0.000 0.815 535 A HN 0.529 nan 8.150 nan 0.000 0.443 536 K N -0.168 120.192 120.400 -0.067 0.000 2.057 536 K HA -0.103 4.210 4.320 -0.012 0.000 0.207 536 K C 1.823 178.396 176.600 -0.045 0.000 1.049 536 K CA 1.678 57.934 56.287 -0.051 0.000 0.931 536 K CB -0.281 32.191 32.500 -0.047 0.000 0.714 536 K HN 0.225 nan 8.250 nan 0.000 0.440 537 V N 1.671 121.553 119.914 -0.053 0.000 2.343 537 V HA -0.233 3.880 4.120 -0.012 0.000 0.247 537 V C 2.395 178.473 176.094 -0.026 0.000 1.051 537 V CA 1.964 64.241 62.300 -0.038 0.000 1.036 537 V CB -0.439 31.355 31.823 -0.048 0.000 0.654 537 V HN 0.357 nan 8.190 nan 0.000 0.451 538 K N 0.335 120.717 120.400 -0.030 0.000 2.026 538 K HA -0.224 4.089 4.320 -0.012 0.000 0.208 538 K C 2.165 178.736 176.600 -0.048 0.000 1.048 538 K CA 1.747 58.021 56.287 -0.021 0.000 0.929 538 K CB -0.504 31.999 32.500 0.004 0.000 0.713 538 K HN 0.349 nan 8.250 nan 0.000 0.439 539 Q N 0.984 120.751 119.800 -0.056 0.000 2.084 539 Q HA -0.109 4.224 4.340 -0.012 0.000 0.202 539 Q C 1.736 177.715 176.000 -0.035 0.000 0.978 539 Q CA 1.977 57.739 55.803 -0.067 0.000 0.844 539 Q CB -0.108 28.595 28.738 -0.059 0.000 0.898 539 Q HN 0.497 nan 8.270 nan 0.000 0.426 540 E N -0.512 119.679 120.200 -0.015 0.000 2.085 540 E HA -0.180 4.163 4.350 -0.012 0.000 0.194 540 E C 1.722 178.343 176.600 0.034 0.000 0.994 540 E CA 1.087 57.492 56.400 0.009 0.000 0.801 540 E CB -0.073 29.630 29.700 0.005 0.000 0.743 540 E HN 0.392 nan 8.360 nan 0.000 0.453 541 N N 0.853 119.569 118.700 0.026 0.000 2.120 541 N HA -0.132 4.601 4.740 -0.012 0.000 0.188 541 N C 1.499 177.079 175.510 0.116 0.000 1.024 541 N CA 1.071 54.155 53.050 0.057 0.000 0.852 541 N CB -0.090 38.413 38.487 0.028 0.000 1.003 541 N HN 0.132 nan 8.380 nan 0.000 0.424 542 K N 0.496 120.924 120.400 0.046 0.000 2.057 542 K HA 0.032 4.345 4.320 -0.012 0.000 0.206 542 K C 2.098 178.810 176.600 0.187 0.000 1.050 542 K CA 0.612 56.930 56.287 0.052 0.000 0.935 542 K CB -0.151 32.108 32.500 -0.401 0.000 0.715 542 K HN 0.096 nan 8.250 nan 0.000 0.439 543 L N 1.286 122.570 121.223 0.101 0.000 2.017 543 L HA -0.191 4.142 4.340 -0.012 0.000 0.208 543 L C 2.621 179.586 176.870 0.158 0.000 1.073 543 L CA 1.327 56.237 54.840 0.117 0.000 0.745 543 L CB -0.323 41.775 42.059 0.065 0.000 0.894 543 L HN 0.148 nan 8.230 nan 0.000 0.432 544 K N -0.387 120.109 120.400 0.161 0.000 2.097 544 K HA -0.234 4.079 4.320 -0.012 0.000 0.206 544 K C 2.179 178.939 176.600 0.267 0.000 1.049 544 K CA 1.613 58.007 56.287 0.178 0.000 0.933 544 K CB -0.116 32.472 32.500 0.147 0.000 0.717 544 K HN 0.106 nan 8.250 nan 0.000 0.442 545 F N 0.988 121.042 119.950 0.174 0.000 2.234 545 F HA 0.029 4.549 4.527 -0.012 0.000 0.296 545 F C 1.995 177.958 175.800 0.271 0.000 1.089 545 F CA 0.997 59.132 58.000 0.224 0.000 1.343 545 F CB -0.339 38.793 39.000 0.221 0.000 1.040 545 F HN 0.048 nan 8.300 nan 0.000 0.498 546 A N 0.213 123.198 122.820 0.275 0.000 1.978 546 A HA -0.086 4.227 4.320 -0.012 0.000 0.220 546 A C 2.376 179.999 177.584 0.065 0.000 1.170 546 A CA 1.800 53.931 52.037 0.158 0.000 0.636 546 A CB -1.411 17.743 19.000 0.257 0.000 0.810 546 A HN 0.444 nan 8.150 nan 0.000 0.448 547 A N -1.603 121.274 122.820 0.096 0.000 1.897 547 A HA -0.020 4.293 4.320 -0.012 0.000 0.215 547 A C 2.103 179.711 177.584 0.041 0.000 1.181 547 A CA 1.404 53.484 52.037 0.071 0.000 0.620 547 A CB -0.829 18.225 19.000 0.090 0.000 0.821 547 A HN 0.726 nan 8.150 nan 0.000 0.443 548 Y N 0.719 120.978 120.300 -0.067 0.000 2.151 548 Y HA -0.229 4.315 4.550 -0.011 0.000 0.284 548 Y C 1.916 177.739 175.900 -0.127 0.000 1.166 548 Y CA 1.930 59.973 58.100 -0.094 0.000 1.163 548 Y CB -0.249 38.155 38.460 -0.094 0.000 0.974 548 Y HN 0.223 nan 8.280 nan 0.000 0.511 549 L N -0.016 121.081 121.223 -0.210 0.000 2.046 549 L HA -0.223 4.110 4.340 -0.012 0.000 0.208 549 L C 2.407 179.200 176.870 -0.129 0.000 1.077 549 L CA 1.913 56.632 54.840 -0.202 0.000 0.747 549 L CB -0.534 41.380 42.059 -0.242 0.000 0.896 549 L HN 0.339 nan 8.230 nan 0.000 0.432 550 E N -0.289 119.853 120.200 -0.096 0.000 2.046 550 E HA -0.179 4.164 4.350 -0.012 0.000 0.190 550 E C 2.319 178.863 176.600 -0.093 0.000 0.982 550 E CA 0.754 57.122 56.400 -0.053 0.000 0.800 550 E CB -0.038 29.682 29.700 0.034 0.000 0.756 550 E HN 0.388 nan 8.360 nan 0.000 0.449 551 R N 0.476 120.899 120.500 -0.127 0.000 2.120 551 R HA -0.136 4.197 4.340 -0.012 0.000 0.234 551 R C 1.766 177.913 176.300 -0.255 0.000 1.123 551 R CA 1.156 57.168 56.100 -0.147 0.000 0.975 551 R CB 0.039 30.273 30.300 -0.110 0.000 0.866 551 R HN 0.056 nan 8.270 nan 0.000 0.446 552 E N -1.928 118.011 120.200 -0.435 0.000 2.465 552 E HA 0.047 4.389 4.350 -0.012 0.000 0.209 552 E C -0.083 176.013 176.600 -0.840 0.000 0.951 552 E CA 0.332 56.322 56.400 -0.684 0.000 0.997 552 E CB 0.625 29.694 29.700 -1.051 0.000 1.025 552 E HN 0.238 nan 8.360 nan 0.000 0.500 553 Y N -0.348 119.806 120.300 -0.243 0.000 2.729 553 Y HA 0.280 4.823 4.550 -0.012 0.000 0.266 553 Y C -0.297 175.516 175.900 -0.144 0.000 1.064 553 Y CA -0.661 57.342 58.100 -0.163 0.000 1.251 553 Y CB 0.950 39.314 38.460 -0.159 0.000 1.379 553 Y HN -0.259 nan 8.280 nan 0.000 0.569 554 K N 0.833 121.206 120.400 -0.045 0.000 3.257 554 K HA -0.128 4.185 4.320 -0.012 0.000 0.270 554 K C -0.632 175.832 176.600 -0.226 0.000 0.984 554 K CA 0.879 57.116 56.287 -0.084 0.000 0.739 554 K CB -2.176 30.298 32.500 -0.043 0.000 1.351 554 K HN 0.262 nan 8.250 nan 0.000 0.463 555 V N -2.203 117.565 119.914 -0.243 0.000 2.588 555 V HA 0.513 4.626 4.120 -0.012 0.000 0.304 555 V C 0.014 175.928 176.094 -0.300 0.000 1.042 555 V CA -1.051 61.034 62.300 -0.358 0.000 0.877 555 V CB 1.653 33.368 31.823 -0.180 0.000 0.996 555 V HN 0.345 nan 8.190 nan 0.000 0.425 556 H N 5.552 124.612 119.070 -0.016 0.000 2.594 556 H HA 0.773 5.322 4.556 -0.012 0.000 0.304 556 H C -0.003 175.316 175.328 -0.015 0.000 1.068 556 H CA -0.382 55.660 56.048 -0.009 0.000 1.308 556 H CB 1.385 31.148 29.762 0.001 0.000 1.409 556 H HN 0.925 nan 8.280 nan 0.000 0.460 557 I N -0.372 120.257 120.570 0.099 0.000 2.740 557 I HA 0.441 4.604 4.170 -0.012 0.000 0.303 557 I C -0.396 175.795 176.117 0.124 0.000 1.044 557 I CA -1.363 59.979 61.300 0.070 0.000 1.064 557 I CB 2.109 40.108 38.000 -0.002 0.000 1.249 557 I HN 0.345 nan 8.210 nan 0.000 0.433 558 N N 5.289 124.065 118.700 0.126 0.000 2.401 558 N HA 0.377 5.110 4.740 -0.012 0.000 0.255 558 N C -2.003 173.651 175.510 0.240 0.000 1.110 558 N CA -2.343 50.792 53.050 0.142 0.000 0.949 558 N CB 0.949 39.493 38.487 0.095 0.000 1.110 558 N HN 0.401 nan 8.380 nan 0.000 0.490 559 P HA 0.086 nan 4.420 nan 0.000 0.242 559 P C -0.166 177.132 177.300 -0.004 0.000 1.197 559 P CA 0.781 63.975 63.100 0.157 0.000 0.765 559 P CB 0.221 31.985 31.700 0.106 0.000 0.936 560 N N -1.061 117.669 118.700 0.050 0.000 2.353 560 N HA -0.008 4.725 4.740 -0.012 0.000 0.185 560 N C 0.421 175.974 175.510 0.071 0.000 1.098 560 N CA -0.031 53.038 53.050 0.031 0.000 0.872 560 N CB -0.014 38.497 38.487 0.040 0.000 0.970 560 N HN 0.125 nan 8.380 nan 0.000 0.467 561 S N 0.257 116.014 115.700 0.094 0.000 2.614 561 S HA 0.165 4.628 4.470 -0.012 0.000 0.265 561 S C 0.085 174.670 174.600 -0.025 0.000 1.303 561 S CA -0.916 57.322 58.200 0.063 0.000 1.000 561 S CB 0.982 64.241 63.200 0.099 0.000 0.935 561 S HN 0.211 nan 8.310 nan 0.000 0.551 562 L N 2.069 123.106 121.223 -0.310 0.000 2.410 562 L HA 0.370 4.703 4.340 -0.012 0.000 0.273 562 L C -0.868 175.989 176.870 -0.023 0.000 1.144 562 L CA -0.537 53.939 54.840 -0.607 0.000 0.863 562 L CB -0.189 41.211 42.059 -1.099 0.000 1.140 562 L HN 0.708 nan 8.230 nan 0.000 0.463 563 F N 4.310 124.124 119.950 -0.226 0.000 2.405 563 F HA 0.102 4.623 4.527 -0.010 0.000 0.358 563 F C 0.437 176.170 175.800 -0.111 0.000 1.151 563 F CA -0.801 57.137 58.000 -0.104 0.000 1.161 563 F CB 0.519 39.507 39.000 -0.019 0.000 1.245 563 F HN 0.530 nan 8.300 nan 0.000 0.545 564 D N 4.925 125.323 120.400 -0.002 0.000 2.428 564 D HA 0.201 4.834 4.640 -0.012 0.000 0.221 564 D C -1.054 175.190 176.300 -0.094 0.000 1.123 564 D CA -0.029 53.929 54.000 -0.071 0.000 0.869 564 D CB 1.360 42.103 40.800 -0.095 0.000 1.032 564 D HN 0.261 nan 8.370 nan 0.000 0.506 565 V N 3.514 123.358 119.914 -0.116 0.000 2.540 565 V HA 0.518 4.631 4.120 -0.012 0.000 0.302 565 V C -1.310 174.634 176.094 -0.249 0.000 1.035 565 V CA -0.647 61.566 62.300 -0.145 0.000 0.873 565 V CB 1.778 33.573 31.823 -0.047 0.000 0.992 565 V HN 0.527 nan 8.190 nan 0.000 0.428 566 Q N 4.988 124.657 119.800 -0.218 0.000 2.363 566 Q HA 0.674 5.007 4.340 -0.012 0.000 0.265 566 Q C -1.435 174.403 176.000 -0.270 0.000 1.032 566 Q CA -0.645 55.014 55.803 -0.240 0.000 0.746 566 Q CB 1.866 30.493 28.738 -0.185 0.000 1.237 566 Q HN 1.065 nan 8.270 nan 0.000 0.475 567 V N 2.215 121.957 119.914 -0.287 0.000 2.531 567 V HA 0.866 4.979 4.120 -0.012 0.000 0.301 567 V C -0.893 174.965 176.094 -0.394 0.000 1.034 567 V CA -0.609 61.359 62.300 -0.553 0.000 0.865 567 V CB 1.405 32.647 31.823 -0.968 0.000 0.995 567 V HN 0.828 nan 8.190 nan 0.000 0.424 568 K N 2.610 122.818 120.400 -0.320 0.000 3.040 568 K HA 0.341 4.654 4.320 -0.012 0.000 0.300 568 K C -1.349 175.267 176.600 0.027 0.000 1.092 568 K CA -0.987 55.287 56.287 -0.021 0.000 0.831 568 K CB 0.856 33.328 32.500 -0.048 0.000 1.469 568 K HN 0.530 nan 8.250 nan 0.000 0.365 569 R N 0.877 121.437 120.500 0.099 0.000 2.698 569 R HA 0.181 4.514 4.340 -0.012 0.000 0.266 569 R C 0.413 176.749 176.300 0.059 0.000 1.026 569 R CA -0.295 55.875 56.100 0.117 0.000 1.102 569 R CB -0.169 30.223 30.300 0.154 0.000 0.978 569 R HN 0.465 nan 8.270 nan 0.000 0.436 570 I N 4.178 124.796 120.570 0.079 0.000 2.436 570 I HA 0.095 4.258 4.170 -0.012 0.000 0.289 570 I C 0.761 176.888 176.117 0.015 0.000 1.083 570 I CA 0.528 61.830 61.300 0.002 0.000 1.372 570 I CB -0.329 37.656 38.000 -0.024 0.000 1.408 570 I HN 0.338 nan 8.210 nan 0.000 0.516 571 H N 5.193 124.180 119.070 -0.138 0.000 2.996 571 H HA 0.238 4.787 4.556 -0.012 0.000 0.368 571 H C 0.394 175.611 175.328 -0.184 0.000 1.185 571 H CA -0.390 55.626 56.048 -0.053 0.000 1.160 571 H CB 2.013 31.751 29.762 -0.040 0.000 1.820 571 H HN 0.578 nan 8.280 nan 0.000 0.547 572 E N 1.902 122.149 120.200 0.077 0.000 2.118 572 E HA -0.232 4.111 4.350 -0.012 0.000 0.195 572 E C 1.369 177.800 176.600 -0.282 0.000 0.992 572 E CA 1.756 58.181 56.400 0.042 0.000 0.804 572 E CB -0.047 29.839 29.700 0.310 0.000 0.741 572 E HN 0.576 nan 8.360 nan 0.000 0.458 573 Y N 0.777 120.708 120.300 -0.616 0.000 2.352 573 Y HA -0.041 4.502 4.550 -0.012 0.000 0.292 573 Y C 1.483 177.125 175.900 -0.430 0.000 1.136 573 Y CA 0.904 58.346 58.100 -1.097 0.000 1.227 573 Y CB -0.126 37.680 38.460 -1.090 0.000 0.991 573 Y HN -0.207 nan 8.280 nan 0.000 0.545 574 K N 0.680 120.624 120.400 -0.760 0.000 2.432 574 K HA 0.083 4.396 4.320 -0.012 0.000 0.196 574 K C 0.158 176.587 176.600 -0.285 0.000 1.038 574 K CA 0.466 56.417 56.287 -0.561 0.000 0.986 574 K CB -0.030 32.119 32.500 -0.585 0.000 0.782 574 K HN 0.230 nan 8.250 nan 0.000 0.485 575 R N 0.451 120.817 120.500 -0.224 0.000 3.422 575 R HA -0.241 4.092 4.340 -0.012 0.000 0.267 575 R C 0.274 176.494 176.300 -0.135 0.000 1.074 575 R CA 0.247 56.264 56.100 -0.138 0.000 0.718 575 R CB -1.914 28.321 30.300 -0.108 0.000 1.157 575 R HN 0.311 nan 8.270 nan 0.000 0.440 576 Q N 0.332 120.052 119.800 -0.134 0.000 2.248 576 Q HA -0.096 4.237 4.340 -0.012 0.000 0.208 576 Q C 2.041 177.989 176.000 -0.087 0.000 0.984 576 Q CA 1.542 57.281 55.803 -0.108 0.000 0.875 576 Q CB -0.020 28.659 28.738 -0.098 0.000 0.910 576 Q HN 0.587 nan 8.270 nan 0.000 0.433 577 L N -0.678 120.496 121.223 -0.082 0.000 2.141 577 L HA -0.166 4.167 4.340 -0.012 0.000 0.209 577 L C 1.983 178.847 176.870 -0.010 0.000 1.094 577 L CA 0.468 55.273 54.840 -0.058 0.000 0.763 577 L CB -0.274 41.758 42.059 -0.045 0.000 0.908 577 L HN 0.311 nan 8.230 nan 0.000 0.437 578 L N 0.009 121.216 121.223 -0.027 0.000 2.056 578 L HA -0.233 4.100 4.340 -0.012 0.000 0.207 578 L C 2.018 178.920 176.870 0.053 0.000 1.078 578 L CA 1.865 56.695 54.840 -0.018 0.000 0.749 578 L CB -0.778 41.161 42.059 -0.201 0.000 0.901 578 L HN 0.271 nan 8.230 nan 0.000 0.433 579 N N -1.649 117.054 118.700 0.005 0.000 2.069 579 N HA -0.248 4.485 4.740 -0.012 0.000 0.191 579 N C 1.958 177.539 175.510 0.118 0.000 1.031 579 N CA 1.715 54.845 53.050 0.134 0.000 0.852 579 N CB -0.143 38.361 38.487 0.027 0.000 1.018 579 N HN 0.487 nan 8.380 nan 0.000 0.423 580 C N 0.564 119.872 119.300 0.012 0.000 2.401 580 C HA -0.101 4.352 4.460 -0.012 0.000 0.276 580 C C 2.580 177.555 174.990 -0.025 0.000 1.233 580 C CA 0.453 59.434 59.018 -0.063 0.000 1.753 580 C CB -1.273 26.378 27.740 -0.148 0.000 2.029 580 C HN 0.505 nan 8.230 nan 0.000 0.478 581 L N -0.468 120.803 121.223 0.080 0.000 2.093 581 L HA -0.178 4.155 4.340 -0.012 0.000 0.208 581 L C 2.755 179.779 176.870 0.257 0.000 1.085 581 L CA 1.698 56.636 54.840 0.162 0.000 0.755 581 L CB -1.037 41.181 42.059 0.266 0.000 0.904 581 L HN 0.591 nan 8.230 nan 0.000 0.435 582 H N 0.017 119.197 119.070 0.183 0.000 2.357 582 H HA -0.127 4.422 4.556 -0.012 0.000 0.301 582 H C 2.225 177.547 175.328 -0.010 0.000 1.082 582 H CA 1.834 57.912 56.048 0.049 0.000 1.342 582 H CB 0.338 30.066 29.762 -0.056 0.000 1.389 582 H HN 0.088 nan 8.280 nan 0.000 0.511 583 V N 1.632 121.461 119.914 -0.141 0.000 2.255 583 V HA -0.289 3.824 4.120 -0.012 0.000 0.247 583 V C 2.858 178.879 176.094 -0.121 0.000 1.051 583 V CA 2.017 64.200 62.300 -0.195 0.000 1.018 583 V CB -0.565 31.188 31.823 -0.117 0.000 0.641 583 V HN 0.382 nan 8.190 nan 0.000 0.445 584 I N -0.104 120.428 120.570 -0.064 0.000 2.286 584 I HA -0.238 3.925 4.170 -0.012 0.000 0.248 584 I C 2.506 178.671 176.117 0.080 0.000 1.115 584 I CA 1.784 63.110 61.300 0.043 0.000 1.392 584 I CB -0.722 37.275 38.000 -0.004 0.000 1.065 584 I HN 0.339 nan 8.210 nan 0.000 0.418 585 T N 1.149 115.712 114.554 0.014 0.000 2.684 585 T HA -0.163 4.180 4.350 -0.012 0.000 0.267 585 T C 1.875 176.531 174.700 -0.074 0.000 1.036 585 T CA 1.250 63.352 62.100 0.003 0.000 1.148 585 T CB -0.294 68.604 68.868 0.051 0.000 0.863 585 T HN 0.082 nan 8.240 nan 0.000 0.436 586 L N 0.117 121.227 121.223 -0.189 0.000 2.042 586 L HA -0.031 4.302 4.340 -0.012 0.000 0.210 586 L C 2.121 178.950 176.870 -0.070 0.000 1.076 586 L CA 1.568 56.294 54.840 -0.190 0.000 0.749 586 L CB -1.076 40.795 42.059 -0.312 0.000 0.893 586 L HN 0.363 nan 8.230 nan 0.000 0.432 587 Y N 0.278 120.510 120.300 -0.112 0.000 2.128 587 Y HA -0.296 4.246 4.550 -0.012 0.000 0.284 587 Y C 2.433 178.310 175.900 -0.038 0.000 1.154 587 Y CA 1.908 59.981 58.100 -0.046 0.000 1.149 587 Y CB -0.116 38.359 38.460 0.025 0.000 0.976 587 Y HN 0.282 nan 8.280 nan 0.000 0.505 588 N N 0.394 119.044 118.700 -0.084 0.000 2.188 588 N HA -0.130 4.603 4.740 -0.012 0.000 0.184 588 N C 1.826 177.225 175.510 -0.185 0.000 1.018 588 N CA 1.400 54.341 53.050 -0.181 0.000 0.858 588 N CB -0.345 38.099 38.487 -0.072 0.000 0.989 588 N HN 0.447 nan 8.380 nan 0.000 0.426 589 R N 0.361 120.779 120.500 -0.136 0.000 2.092 589 R HA 0.086 4.419 4.340 -0.012 0.000 0.231 589 R C 2.198 178.414 176.300 -0.140 0.000 1.119 589 R CA 0.690 56.718 56.100 -0.119 0.000 0.970 589 R CB -0.215 30.026 30.300 -0.098 0.000 0.864 589 R HN 0.224 nan 8.270 nan 0.000 0.440 590 I N 0.983 121.450 120.570 -0.173 0.000 2.179 590 I HA -0.286 3.877 4.170 -0.012 0.000 0.242 590 I C 2.142 178.139 176.117 -0.199 0.000 1.088 590 I CA 1.264 62.460 61.300 -0.173 0.000 1.357 590 I CB -0.171 37.728 38.000 -0.167 0.000 1.051 590 I HN 0.018 nan 8.210 nan 0.000 0.409 591 K N 0.813 121.028 120.400 -0.307 0.000 2.147 591 K HA -0.204 4.109 4.320 -0.012 0.000 0.205 591 K C 2.034 178.534 176.600 -0.167 0.000 1.049 591 K CA 1.208 57.329 56.287 -0.278 0.000 0.936 591 K CB -0.331 31.919 32.500 -0.417 0.000 0.722 591 K HN 0.320 nan 8.250 nan 0.000 0.446 592 K N 1.081 121.390 120.400 -0.151 0.000 2.057 592 K HA -0.092 4.221 4.320 -0.012 0.000 0.206 592 K C 0.087 176.640 176.600 -0.078 0.000 1.050 592 K CA 1.111 57.336 56.287 -0.102 0.000 0.935 592 K CB 0.315 32.759 32.500 -0.093 0.000 0.715 592 K HN 0.088 nan 8.250 nan 0.000 0.439 593 E N -0.015 120.137 120.200 -0.080 0.000 3.108 593 E HA 0.115 4.458 4.350 -0.012 0.000 0.228 593 E C -2.330 174.235 176.600 -0.058 0.000 1.176 593 E CA -1.552 54.813 56.400 -0.057 0.000 0.881 593 E CB 1.717 31.390 29.700 -0.045 0.000 1.354 593 E HN 0.126 nan 8.360 nan 0.000 0.400 594 P HA -0.127 nan 4.420 nan 0.000 0.218 594 P C 0.237 177.517 177.300 -0.032 0.000 1.149 594 P CA 1.188 64.256 63.100 -0.054 0.000 0.817 594 P CB 0.197 31.870 31.700 -0.045 0.000 0.785 595 N N -1.179 117.511 118.700 -0.016 0.000 2.276 595 N HA 0.032 4.765 4.740 -0.012 0.000 0.212 595 N C 0.434 175.958 175.510 0.024 0.000 1.127 595 N CA -0.135 52.918 53.050 0.005 0.000 0.834 595 N CB 0.131 38.622 38.487 0.006 0.000 1.014 595 N HN -0.004 nan 8.380 nan 0.000 0.491 596 K N 1.090 121.499 120.400 0.014 0.000 2.130 596 K HA 0.178 4.491 4.320 -0.012 0.000 0.268 596 K C -0.927 175.711 176.600 0.063 0.000 0.983 596 K CA -0.597 55.714 56.287 0.040 0.000 0.893 596 K CB 0.797 33.302 32.500 0.008 0.000 1.066 596 K HN -0.042 nan 8.250 nan 0.000 0.450 597 F N 4.273 124.211 119.950 -0.021 0.000 2.443 597 F HA 0.214 4.734 4.527 -0.012 0.000 0.353 597 F C -0.379 175.407 175.800 -0.022 0.000 1.101 597 F CA -0.147 57.842 58.000 -0.019 0.000 1.226 597 F CB 0.635 39.627 39.000 -0.013 0.000 1.140 597 F HN 0.168 nan 8.300 nan 0.000 0.557 598 V N 4.242 123.607 119.914 -0.914 0.000 2.789 598 V HA 0.520 4.633 4.120 -0.012 0.000 0.311 598 V C -0.716 174.771 176.094 -1.011 0.000 1.073 598 V CA -1.228 60.652 62.300 -0.700 0.000 0.921 598 V CB 0.924 32.537 31.823 -0.349 0.000 1.009 598 V HN 0.585 nan 8.190 nan 0.000 0.426 599 V N 5.116 124.711 119.914 -0.532 0.000 2.493 599 V HA 0.179 4.292 4.120 -0.012 0.000 0.292 599 V C -1.787 174.149 176.094 -0.263 0.000 1.016 599 V CA -0.366 61.765 62.300 -0.282 0.000 1.097 599 V CB 0.343 32.135 31.823 -0.052 0.000 0.947 599 V HN 0.901 nan 8.190 nan 0.000 0.479 600 P HA 0.349 nan 4.420 nan 0.000 0.271 600 P C -0.439 176.775 177.300 -0.143 0.000 1.216 600 P CA -0.130 62.881 63.100 -0.149 0.000 0.776 600 P CB 0.566 32.224 31.700 -0.072 0.000 0.881 601 R N 0.911 121.337 120.500 -0.123 0.000 2.686 601 R HA 0.540 4.873 4.340 -0.012 0.000 0.283 601 R C -0.735 175.522 176.300 -0.072 0.000 0.978 601 R CA -0.610 55.419 56.100 -0.118 0.000 0.897 601 R CB 1.913 32.129 30.300 -0.140 0.000 1.192 601 R HN 0.317 nan 8.270 nan 0.000 0.457 602 T N 2.213 116.739 114.554 -0.047 0.000 2.770 602 T HA 0.248 4.591 4.350 -0.012 0.000 0.297 602 T C -0.314 174.292 174.700 -0.158 0.000 0.997 602 T CA -0.478 61.546 62.100 -0.127 0.000 0.949 602 T CB 1.153 69.868 68.868 -0.256 0.000 0.941 602 T HN 0.127 nan 8.240 nan 0.000 0.457 603 V N 6.009 125.840 119.914 -0.138 0.000 2.348 603 V HA 0.400 4.513 4.120 -0.012 0.000 0.270 603 V C 0.020 176.032 176.094 -0.136 0.000 1.037 603 V CA -0.469 61.758 62.300 -0.122 0.000 0.872 603 V CB 0.543 32.311 31.823 -0.092 0.000 1.002 603 V HN 0.866 nan 8.190 nan 0.000 0.464 604 M N 6.737 126.247 119.600 -0.150 0.000 2.167 604 M HA 0.620 5.092 4.480 -0.012 0.000 0.333 604 M C -0.941 175.255 176.300 -0.173 0.000 1.030 604 M CA -0.153 55.051 55.300 -0.159 0.000 0.963 604 M CB 1.890 34.395 32.600 -0.159 0.000 1.589 604 M HN 0.396 nan 8.290 nan 0.000 0.431 605 I N 1.831 122.287 120.570 -0.190 0.000 2.465 605 I HA 0.845 5.008 4.170 -0.012 0.000 0.291 605 I C 0.113 175.937 176.117 -0.487 0.000 1.014 605 I CA -0.668 60.499 61.300 -0.222 0.000 1.093 605 I CB 2.302 40.260 38.000 -0.069 0.000 1.267 605 I HN 0.809 nan 8.210 nan 0.000 0.431 606 G N 2.908 111.384 108.800 -0.541 0.000 2.696 606 G HA2 0.819 4.772 3.960 -0.012 0.000 0.295 606 G HA3 0.819 4.772 3.960 -0.012 0.000 0.295 606 G C -1.036 173.589 174.900 -0.458 0.000 1.398 606 G CA -0.788 43.848 45.100 -0.773 0.000 0.920 606 G HN 0.991 nan 8.290 nan 0.000 0.492 607 G N -0.205 108.469 108.800 -0.210 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 -1.222 173.825 174.900 0.245 0.000 1.593 607 G CA -1.051 44.100 45.100 0.086 0.000 0.963 607 G HN 0.610 nan 8.290 nan 0.000 0.685 608 K N -0.062 120.478 120.400 0.234 0.000 2.118 608 K HA 0.722 5.035 4.320 -0.012 0.000 0.267 608 K C 0.315 177.079 176.600 0.273 0.000 0.991 608 K CA -0.119 56.329 56.287 0.268 0.000 0.916 608 K CB 1.902 34.460 32.500 0.096 0.000 1.041 608 K HN 0.838 nan 8.250 nan 0.000 0.455 609 A N 1.492 124.509 122.820 0.328 0.000 2.305 609 A HA 0.603 4.916 4.320 -0.012 0.000 0.322 609 A C -0.393 177.411 177.584 0.366 0.000 1.187 609 A CA -0.737 51.448 52.037 0.247 0.000 0.825 609 A CB 0.952 20.013 19.000 0.103 0.000 1.164 609 A HN 0.779 nan 8.150 nan 0.000 0.498 610 A N 3.866 126.900 122.820 0.356 0.000 2.546 610 A HA 0.432 4.745 4.320 -0.012 0.000 0.243 610 A C -1.369 176.351 177.584 0.228 0.000 1.063 610 A CA -0.659 51.584 52.037 0.344 0.000 0.757 610 A CB -0.378 18.827 19.000 0.341 0.000 0.991 610 A HN 0.606 nan 8.150 nan 0.000 0.503 611 P HA -0.144 nan 4.420 nan 0.000 0.217 611 P C 1.298 178.622 177.300 0.042 0.000 1.148 611 P CA 1.982 65.057 63.100 -0.041 0.000 0.828 611 P CB 0.217 31.831 31.700 -0.144 0.000 0.783 612 G N -3.088 105.773 108.800 0.100 0.000 3.189 612 G HA2 -0.064 3.889 3.960 -0.012 0.000 0.225 612 G HA3 -0.064 3.889 3.960 -0.012 0.000 0.225 612 G C -0.276 174.728 174.900 0.173 0.000 1.159 612 G CA -0.111 45.052 45.100 0.105 0.000 0.763 612 G HN 0.303 nan 8.290 nan 0.000 0.549 613 Y N 1.591 121.923 120.300 0.053 0.000 2.650 613 Y HA 0.203 4.746 4.550 -0.012 0.000 0.343 613 Y C 1.596 177.530 175.900 0.057 0.000 1.078 613 Y CA -1.062 57.062 58.100 0.039 0.000 1.356 613 Y CB 0.198 38.677 38.460 0.031 0.000 1.204 613 Y HN 0.298 nan 8.280 nan 0.000 0.508 614 H N 4.237 123.457 119.070 0.250 0.000 2.321 614 H HA -0.206 4.344 4.556 -0.012 0.000 0.300 614 H C 1.790 177.159 175.328 0.069 0.000 1.087 614 H CA 2.249 58.371 56.048 0.122 0.000 1.319 614 H CB 0.399 30.215 29.762 0.090 0.000 1.379 614 H HN 0.733 nan 8.280 nan 0.000 0.501 615 M N 1.049 120.643 119.600 -0.011 0.000 2.117 615 M HA -0.080 4.393 4.480 -0.012 0.000 0.262 615 M C 2.557 178.622 176.300 -0.392 0.000 1.065 615 M CA 1.824 57.024 55.300 -0.166 0.000 1.114 615 M CB -0.707 31.921 32.600 0.047 0.000 1.361 615 M HN 0.338 nan 8.290 nan 0.000 0.408 616 A N -0.531 121.820 122.820 -0.783 0.000 1.933 616 A HA -0.203 4.110 4.320 -0.012 0.000 0.218 616 A C 2.213 179.609 177.584 -0.313 0.000 1.175 616 A CA 1.915 53.532 52.037 -0.701 0.000 0.628 616 A CB -0.659 17.734 19.000 -1.013 0.000 0.814 616 A HN 0.583 nan 8.150 nan 0.000 0.444 617 K N -1.231 119.040 120.400 -0.215 0.000 2.148 617 K HA -0.032 4.281 4.320 -0.012 0.000 0.204 617 K C 1.929 178.491 176.600 -0.063 0.000 1.050 617 K CA 1.189 57.434 56.287 -0.070 0.000 0.942 617 K CB -0.178 32.342 32.500 0.033 0.000 0.724 617 K HN 0.338 nan 8.250 nan 0.000 0.446 618 M N 0.443 119.953 119.600 -0.151 0.000 2.175 618 M HA -0.079 4.394 4.480 -0.012 0.000 0.264 618 M C 2.068 178.302 176.300 -0.110 0.000 1.063 618 M CA 1.420 56.670 55.300 -0.082 0.000 1.119 618 M CB -0.598 31.933 32.600 -0.115 0.000 1.377 618 M HN 0.122 nan 8.290 nan 0.000 0.415 619 I N -0.162 120.304 120.570 -0.173 0.000 2.226 619 I HA -0.298 3.865 4.170 -0.012 0.000 0.245 619 I C 2.295 178.273 176.117 -0.233 0.000 1.100 619 I CA 1.039 62.222 61.300 -0.195 0.000 1.374 619 I CB -0.344 37.544 38.000 -0.186 0.000 1.057 619 I HN 0.161 nan 8.210 nan 0.000 0.413 620 I N 0.750 121.166 120.570 -0.256 0.000 2.163 620 I HA -0.338 3.825 4.170 -0.012 0.000 0.243 620 I C 2.622 178.440 176.117 -0.498 0.000 1.085 620 I CA 1.429 62.467 61.300 -0.437 0.000 1.347 620 I CB -0.334 37.402 38.000 -0.440 0.000 1.044 620 I HN 0.161 nan 8.210 nan 0.000 0.408 621 K N 1.389 121.524 120.400 -0.442 0.000 2.097 621 K HA -0.154 4.159 4.320 -0.012 0.000 0.206 621 K C 2.032 178.464 176.600 -0.280 0.000 1.049 621 K CA 1.472 57.429 56.287 -0.550 0.000 0.933 621 K CB -0.545 31.365 32.500 -0.983 0.000 0.717 621 K HN 0.238 nan 8.250 nan 0.000 0.442 622 L N 0.382 121.456 121.223 -0.248 0.000 2.012 622 L HA -0.195 4.138 4.340 -0.012 0.000 0.210 622 L C 2.211 178.835 176.870 -0.410 0.000 1.073 622 L CA 1.815 56.339 54.840 -0.526 0.000 0.748 622 L CB -0.318 41.352 42.059 -0.649 0.000 0.891 622 L HN 0.275 nan 8.230 nan 0.000 0.431 623 I N -0.242 120.134 120.570 -0.323 0.000 2.208 623 I HA -0.341 3.822 4.170 -0.012 0.000 0.245 623 I C 2.604 178.601 176.117 -0.199 0.000 1.097 623 I CA 1.978 63.141 61.300 -0.229 0.000 1.363 623 I CB -0.558 37.379 38.000 -0.106 0.000 1.051 623 I HN 0.444 nan 8.210 nan 0.000 0.413 624 T N -1.131 113.273 114.554 -0.250 0.000 2.904 624 T HA 0.004 4.347 4.350 -0.012 0.000 0.267 624 T C 1.961 176.586 174.700 -0.124 0.000 1.059 624 T CA 0.818 62.806 62.100 -0.185 0.000 1.137 624 T CB -0.364 68.353 68.868 -0.252 0.000 0.879 624 T HN 0.328 nan 8.240 nan 0.000 0.467 625 A N 1.677 124.423 122.820 -0.124 0.000 1.898 625 A HA 0.158 4.471 4.320 -0.012 0.000 0.216 625 A C 2.359 179.954 177.584 0.018 0.000 1.181 625 A CA 1.216 53.252 52.037 -0.000 0.000 0.620 625 A CB -0.833 18.265 19.000 0.164 0.000 0.819 625 A HN 0.564 nan 8.150 nan 0.000 0.442 626 I N -0.103 120.372 120.570 -0.159 0.000 2.127 626 I HA -0.261 3.901 4.170 -0.012 0.000 0.241 626 I C 2.737 178.801 176.117 -0.088 0.000 1.075 626 I CA 1.324 62.504 61.300 -0.201 0.000 1.334 626 I CB -0.738 37.027 38.000 -0.392 0.000 1.040 626 I HN 0.397 nan 8.210 nan 0.000 0.405 627 G N 0.339 109.078 108.800 -0.100 0.000 2.469 627 G HA2 -0.275 3.678 3.960 -0.012 0.000 0.220 627 G HA3 -0.275 3.678 3.960 -0.012 0.000 0.220 627 G C 1.283 176.150 174.900 -0.056 0.000 1.136 627 G CA 1.109 46.156 45.100 -0.089 0.000 0.759 627 G HN 0.306 nan 8.290 nan 0.000 0.562 628 D N 0.059 120.472 120.400 0.022 0.000 2.123 628 D HA -0.090 4.543 4.640 -0.012 0.000 0.196 628 D C 2.754 179.161 176.300 0.179 0.000 0.992 628 D CA 0.841 54.928 54.000 0.144 0.000 0.833 628 D CB -0.311 40.544 40.800 0.092 0.000 0.954 628 D HN 0.238 nan 8.370 nan 0.000 0.455 629 V N 0.457 120.409 119.914 0.063 0.000 2.255 629 V HA -0.168 3.945 4.120 -0.012 0.000 0.243 629 V C 2.674 178.716 176.094 -0.086 0.000 1.038 629 V CA 0.912 63.199 62.300 -0.021 0.000 1.008 629 V CB -0.438 31.347 31.823 -0.063 0.000 0.645 629 V HN 0.025 nan 8.190 nan 0.000 0.449 630 V N 0.996 120.799 119.914 -0.184 0.000 2.287 630 V HA -0.240 3.873 4.120 -0.012 0.000 0.248 630 V C 2.170 178.208 176.094 -0.094 0.000 1.053 630 V CA 2.214 64.403 62.300 -0.185 0.000 1.027 630 V CB -0.905 30.811 31.823 -0.178 0.000 0.646 630 V HN 0.583 nan 8.190 nan 0.000 0.447 631 N N -0.361 118.215 118.700 -0.207 0.000 2.512 631 N HA -0.087 4.646 4.740 -0.012 0.000 0.183 631 N C 1.114 176.350 175.510 -0.457 0.000 1.073 631 N CA 0.901 53.740 53.050 -0.351 0.000 0.911 631 N CB -0.295 37.906 38.487 -0.477 0.000 0.964 631 N HN 0.710 nan 8.380 nan 0.000 0.447 632 H N -1.523 117.554 119.070 0.013 0.000 2.581 632 H HA 0.222 4.771 4.556 -0.011 0.000 0.275 632 H C -0.579 174.771 175.328 0.037 0.000 1.126 632 H CA -0.509 55.551 56.048 0.020 0.000 1.097 632 H CB 0.608 30.371 29.762 0.002 0.000 1.626 632 H HN -0.027 nan 8.280 nan 0.000 0.565 633 D N 1.746 122.223 120.400 0.129 0.000 2.313 633 D HA 0.056 4.689 4.640 -0.012 0.000 0.239 633 D C -1.637 174.724 176.300 0.103 0.000 1.142 633 D CA -2.045 52.045 54.000 0.149 0.000 0.847 633 D CB 1.805 42.768 40.800 0.272 0.000 1.082 633 D HN 0.103 nan 8.370 nan 0.000 0.480 634 P HA -0.112 nan 4.420 nan 0.000 0.218 634 P C 1.597 178.921 177.300 0.039 0.000 1.149 634 P CA 0.379 63.511 63.100 0.053 0.000 0.817 634 P CB 0.420 32.146 31.700 0.043 0.000 0.785 635 V N -0.535 119.402 119.914 0.038 0.000 2.490 635 V HA -0.176 3.937 4.120 -0.012 0.000 0.250 635 V C 2.459 178.557 176.094 0.007 0.000 1.061 635 V CA 1.540 63.848 62.300 0.013 0.000 1.064 635 V CB -1.087 30.732 31.823 -0.006 0.000 0.670 635 V HN -0.017 nan 8.190 nan 0.000 0.461 636 V N -0.252 119.684 119.914 0.037 0.000 2.307 636 V HA 0.109 4.222 4.120 -0.012 0.000 0.245 636 V C 1.780 177.882 176.094 0.013 0.000 1.045 636 V CA 1.645 63.965 62.300 0.034 0.000 1.024 636 V CB -1.187 30.702 31.823 0.109 0.000 0.651 636 V HN 0.755 nan 8.190 nan 0.000 0.449 637 G N 1.462 110.275 108.800 0.022 0.000 2.527 637 G HA2 -0.346 3.607 3.960 -0.012 0.000 0.268 637 G HA3 -0.346 3.607 3.960 -0.012 0.000 0.268 637 G C 0.135 175.040 174.900 0.007 0.000 1.175 637 G CA 0.414 45.522 45.100 0.014 0.000 0.962 637 G HN 0.709 nan 8.290 nan 0.000 0.560 638 D N 0.147 120.549 120.400 0.003 0.000 2.491 638 D HA 0.261 4.894 4.640 -0.012 0.000 0.228 638 D C 1.705 177.996 176.300 -0.015 0.000 1.183 638 D CA -0.011 53.990 54.000 0.002 0.000 0.827 638 D CB -0.001 40.810 40.800 0.018 0.000 0.989 638 D HN 0.594 nan 8.370 nan 0.000 0.494 639 R N -0.709 119.771 120.500 -0.034 0.000 2.200 639 R HA 0.232 4.565 4.340 -0.012 0.000 0.208 639 R C -0.143 176.112 176.300 -0.076 0.000 1.033 639 R CA 0.218 56.274 56.100 -0.074 0.000 1.000 639 R CB 0.310 30.548 30.300 -0.104 0.000 0.906 639 R HN 0.128 nan 8.270 nan 0.000 0.462 640 L N 0.693 121.888 121.223 -0.047 0.000 2.562 640 L HA 0.372 4.705 4.340 -0.012 0.000 0.266 640 L C -1.570 175.271 176.870 -0.047 0.000 0.949 640 L CA -0.466 54.344 54.840 -0.050 0.000 0.879 640 L CB 1.781 43.823 42.059 -0.028 0.000 1.278 640 L HN -0.180 nan 8.230 nan 0.000 0.404 641 R N 3.859 124.317 120.500 -0.070 0.000 2.621 641 R HA 0.761 5.094 4.340 -0.012 0.000 0.292 641 R C -1.583 174.655 176.300 -0.103 0.000 0.969 641 R CA -0.792 55.255 56.100 -0.088 0.000 0.887 641 R CB 2.416 32.665 30.300 -0.086 0.000 1.180 641 R HN 0.400 nan 8.270 nan 0.000 0.450 642 V N 4.987 124.836 119.914 -0.109 0.000 2.350 642 V HA 0.445 4.558 4.120 -0.012 0.000 0.285 642 V C -0.235 175.804 176.094 -0.091 0.000 1.014 642 V CA -0.708 61.531 62.300 -0.102 0.000 0.831 642 V CB 1.453 33.213 31.823 -0.105 0.000 1.000 642 V HN 0.527 nan 8.190 nan 0.000 0.433 643 I N 4.838 125.355 120.570 -0.089 0.000 2.433 643 I HA 0.438 4.601 4.170 -0.012 0.000 0.292 643 I C -0.576 175.521 176.117 -0.033 0.000 1.001 643 I CA -0.369 60.887 61.300 -0.074 0.000 1.119 643 I CB 1.812 39.740 38.000 -0.120 0.000 1.289 643 I HN 0.546 nan 8.210 nan 0.000 0.438 644 F N 7.104 126.976 119.950 -0.130 0.000 2.404 644 F HA 0.446 4.966 4.527 -0.011 0.000 0.358 644 F C -0.471 175.254 175.800 -0.125 0.000 1.120 644 F CA -0.679 57.250 58.000 -0.119 0.000 1.144 644 F CB 0.621 39.556 39.000 -0.109 0.000 1.133 644 F HN 0.156 nan 8.300 nan 0.000 0.495 645 L N 6.203 127.011 121.223 -0.692 0.000 2.433 645 L HA 0.143 4.476 4.340 -0.012 0.000 0.284 645 L C 0.302 176.872 176.870 -0.500 0.000 1.120 645 L CA 0.178 54.735 54.840 -0.472 0.000 0.879 645 L CB -0.012 41.863 42.059 -0.306 0.000 1.232 645 L HN 0.608 nan 8.230 nan 0.000 0.454 646 E N 3.312 123.363 120.200 -0.248 0.000 2.373 646 E HA -0.008 4.335 4.350 -0.012 0.000 0.267 646 E C 0.484 177.134 176.600 0.083 0.000 1.032 646 E CA -0.262 56.144 56.400 0.011 0.000 0.889 646 E CB 0.339 30.051 29.700 0.021 0.000 0.984 646 E HN 0.532 nan 8.360 nan 0.000 0.425 647 N N 2.461 121.269 118.700 0.181 0.000 2.738 647 N HA -0.278 4.455 4.740 -0.012 0.000 0.249 647 N C -1.593 174.011 175.510 0.157 0.000 1.047 647 N CA 0.553 53.711 53.050 0.181 0.000 0.707 647 N CB -1.607 37.003 38.487 0.205 0.000 0.937 647 N HN 0.492 nan 8.380 nan 0.000 0.545 648 Y N 1.575 121.881 120.300 0.010 0.000 2.620 648 Y HA 0.256 4.798 4.550 -0.012 0.000 0.330 648 Y C 1.117 177.035 175.900 0.030 0.000 1.186 648 Y CA 0.635 58.731 58.100 -0.008 0.000 1.467 648 Y CB 0.374 38.797 38.460 -0.063 0.000 1.262 648 Y HN 0.388 nan 8.280 nan 0.000 0.550 649 R N 2.385 122.514 120.500 -0.618 0.000 2.764 649 R HA 0.373 4.706 4.340 -0.012 0.000 0.276 649 R C -0.714 175.254 176.300 -0.553 0.000 1.021 649 R CA -0.568 55.276 56.100 -0.427 0.000 0.870 649 R CB 0.258 30.500 30.300 -0.097 0.000 1.293 649 R HN 0.382 nan 8.270 nan 0.000 0.469 650 V N 1.110 120.738 119.914 -0.477 0.000 2.287 650 V HA -0.279 3.834 4.120 -0.012 0.000 0.248 650 V C 2.549 178.523 176.094 -0.200 0.000 1.053 650 V CA 2.857 64.934 62.300 -0.372 0.000 1.027 650 V CB -0.736 30.825 31.823 -0.435 0.000 0.646 650 V HN 0.908 nan 8.190 nan 0.000 0.447 651 S N -0.245 115.356 115.700 -0.166 0.000 2.423 651 S HA -0.119 4.344 4.470 -0.012 0.000 0.231 651 S C 1.882 176.435 174.600 -0.078 0.000 1.014 651 S CA 1.362 59.493 58.200 -0.115 0.000 0.965 651 S CB -0.374 62.781 63.200 -0.074 0.000 0.785 651 S HN 0.392 nan 8.310 nan 0.000 0.495 652 L N 1.880 123.065 121.223 -0.063 0.000 2.131 652 L HA 0.373 4.706 4.340 -0.012 0.000 0.206 652 L C 2.631 179.526 176.870 0.041 0.000 1.087 652 L CA 1.317 56.168 54.840 0.018 0.000 0.767 652 L CB -1.264 40.867 42.059 0.121 0.000 0.917 652 L HN 0.338 nan 8.230 nan 0.000 0.441 653 A N -0.585 122.236 122.820 0.001 0.000 1.940 653 A HA -0.238 4.075 4.320 -0.012 0.000 0.219 653 A C 2.112 179.759 177.584 0.106 0.000 1.176 653 A CA 1.831 53.941 52.037 0.122 0.000 0.631 653 A CB -0.622 18.423 19.000 0.075 0.000 0.814 653 A HN 0.598 nan 8.150 nan 0.000 0.446 654 E N -0.433 119.818 120.200 0.086 0.000 2.265 654 E HA -0.170 4.173 4.350 -0.012 0.000 0.196 654 E C 1.847 178.414 176.600 -0.054 0.000 0.996 654 E CA 1.200 57.606 56.400 0.010 0.000 0.832 654 E CB -0.053 29.564 29.700 -0.138 0.000 0.756 654 E HN 0.633 nan 8.360 nan 0.000 0.491 655 K N -0.018 120.330 120.400 -0.087 0.000 2.190 655 K HA 0.035 4.348 4.320 -0.012 0.000 0.202 655 K C 2.153 178.553 176.600 -0.334 0.000 1.045 655 K CA 0.409 56.622 56.287 -0.123 0.000 0.976 655 K CB 0.020 32.459 32.500 -0.102 0.000 0.849 655 K HN -0.049 nan 8.250 nan 0.000 0.468 656 V N 1.883 121.507 119.914 -0.482 0.000 2.488 656 V HA -0.125 3.988 4.120 -0.012 0.000 0.246 656 V C 1.898 177.740 176.094 -0.420 0.000 1.046 656 V CA 1.196 62.990 62.300 -0.845 0.000 1.053 656 V CB -0.161 31.297 31.823 -0.607 0.000 0.679 656 V HN 0.235 nan 8.190 nan 0.000 0.458 657 I N 0.713 121.091 120.570 -0.320 0.000 2.127 657 I HA -0.141 4.022 4.170 -0.012 0.000 0.241 657 I C -0.151 175.836 176.117 -0.218 0.000 1.075 657 I CA 1.793 62.834 61.300 -0.433 0.000 1.334 657 I CB -1.545 36.065 38.000 -0.650 0.000 1.040 657 I HN 0.358 nan 8.210 nan 0.000 0.405 658 P HA -0.161 nan 4.420 nan 0.000 0.219 658 P C 1.057 178.344 177.300 -0.022 0.000 1.146 658 P CA 1.492 64.559 63.100 -0.055 0.000 0.808 658 P CB -0.027 31.651 31.700 -0.037 0.000 0.779 659 A N -1.224 121.565 122.820 -0.052 0.000 2.218 659 A HA 0.408 4.721 4.320 -0.012 0.000 0.209 659 A C 1.229 178.906 177.584 0.155 0.000 1.168 659 A CA 0.281 52.344 52.037 0.043 0.000 0.804 659 A CB -0.758 18.272 19.000 0.049 0.000 0.834 659 A HN 0.217 nan 8.150 nan 0.000 0.482 660 A N -0.140 122.772 122.820 0.154 0.000 2.354 660 A HA 0.480 4.793 4.320 -0.012 0.000 0.269 660 A C 0.335 178.064 177.584 0.240 0.000 1.109 660 A CA -0.190 52.004 52.037 0.262 0.000 0.800 660 A CB 0.377 19.613 19.000 0.394 0.000 1.045 660 A HN 0.268 nan 8.150 nan 0.000 0.489 661 D N 0.417 120.959 120.400 0.238 0.000 2.394 661 D HA 0.120 4.753 4.640 -0.012 0.000 0.226 661 D C -0.011 176.509 176.300 0.366 0.000 0.990 661 D CA 0.739 54.931 54.000 0.321 0.000 0.902 661 D CB 0.322 41.220 40.800 0.163 0.000 1.038 661 D HN 0.351 nan 8.370 nan 0.000 0.499 662 L N 1.226 122.549 121.223 0.167 0.000 2.376 662 L HA 0.276 4.609 4.340 -0.012 0.000 0.275 662 L C -0.778 175.994 176.870 -0.163 0.000 0.987 662 L CA -0.288 54.577 54.840 0.042 0.000 0.828 662 L CB 2.052 44.103 42.059 -0.014 0.000 1.249 662 L HN -0.183 nan 8.230 nan 0.000 0.409 663 S N 4.338 119.858 115.700 -0.301 0.000 2.438 663 S HA 0.324 4.787 4.470 -0.012 0.000 0.293 663 S C -0.368 173.971 174.600 -0.435 0.000 1.141 663 S CA -0.645 57.139 58.200 -0.694 0.000 1.080 663 S CB 0.629 63.357 63.200 -0.787 0.000 0.978 663 S HN 0.547 nan 8.310 nan 0.000 0.479 664 E N 4.048 123.997 120.200 -0.419 0.000 2.081 664 E HA 0.228 4.571 4.350 -0.012 0.000 0.281 664 E C -0.589 175.895 176.600 -0.193 0.000 0.986 664 E CA -0.463 55.811 56.400 -0.211 0.000 0.796 664 E CB 1.116 30.723 29.700 -0.154 0.000 1.085 664 E HN 0.602 nan 8.360 nan 0.000 0.398 665 Q N 2.818 122.562 119.800 -0.094 0.000 3.064 665 Q HA 0.271 4.604 4.340 -0.012 0.000 0.258 665 Q C 0.553 176.540 176.000 -0.022 0.000 0.972 665 Q CA -0.113 55.647 55.803 -0.072 0.000 0.761 665 Q CB 0.276 28.981 28.738 -0.055 0.000 1.281 665 Q HN 0.621 nan 8.270 nan 0.000 0.455 666 I N -1.793 118.750 120.570 -0.045 0.000 3.569 666 I HA 0.274 4.437 4.170 -0.012 0.000 0.334 666 I C 0.420 176.489 176.117 -0.079 0.000 1.570 666 I CA -0.696 60.596 61.300 -0.013 0.000 1.082 666 I CB 0.542 38.533 38.000 -0.013 0.000 1.323 666 I HN 0.007 nan 8.210 nan 0.000 0.489 667 S N 0.503 116.153 115.700 -0.084 0.000 2.568 667 S HA 0.156 4.619 4.470 -0.012 0.000 0.282 667 S C 0.587 175.166 174.600 -0.036 0.000 1.338 667 S CA -0.231 57.937 58.200 -0.054 0.000 1.045 667 S CB 0.205 63.420 63.200 0.026 0.000 0.873 667 S HN 0.391 nan 8.310 nan 0.000 0.516 668 T N 2.918 117.481 114.554 0.014 0.000 2.908 668 T HA 0.354 4.697 4.350 -0.012 0.000 0.301 668 T C 0.776 175.483 174.700 0.012 0.000 1.019 668 T CA 0.282 62.400 62.100 0.031 0.000 1.152 668 T CB -0.049 68.909 68.868 0.150 0.000 0.966 668 T HN 1.035 nan 8.240 nan 0.000 0.540 669 A N 2.728 125.527 122.820 -0.036 0.000 2.566 669 A HA 0.450 4.763 4.320 -0.012 0.000 0.245 669 A C 1.631 179.208 177.584 -0.013 0.000 1.056 669 A CA 0.283 52.294 52.037 -0.042 0.000 0.757 669 A CB -0.929 18.035 19.000 -0.061 0.000 0.979 669 A HN 1.734 nan 8.150 nan 0.000 0.508 670 G N 1.442 110.233 108.800 -0.016 0.000 2.176 670 G HA2 -0.224 3.729 3.960 -0.012 0.000 0.232 670 G HA3 -0.224 3.729 3.960 -0.012 0.000 0.232 670 G C 0.823 175.707 174.900 -0.027 0.000 0.986 670 G CA 1.058 46.150 45.100 -0.014 0.000 0.643 670 G HN 1.959 nan 8.290 nan 0.000 0.522 671 T N -2.448 112.085 114.554 -0.036 0.000 3.038 671 T HA 0.401 4.744 4.350 -0.012 0.000 0.244 671 T C 0.757 175.285 174.700 -0.287 0.000 1.016 671 T CA 1.026 63.036 62.100 -0.151 0.000 1.098 671 T CB 0.512 69.336 68.868 -0.073 0.000 0.954 671 T HN 0.278 nan 8.240 nan 0.000 0.469 672 E N 1.685 121.857 120.200 -0.046 0.000 2.070 672 E HA 0.636 4.979 4.350 -0.012 0.000 0.282 672 E C 1.201 177.742 176.600 -0.098 0.000 1.104 672 E CA 0.143 56.561 56.400 0.030 0.000 0.876 672 E CB 0.738 30.518 29.700 0.133 0.000 1.055 672 E HN 0.371 nan 8.360 nan 0.000 0.401 673 A N 3.484 126.166 122.820 -0.230 0.000 1.873 673 A HA -0.230 4.083 4.320 -0.012 0.000 0.218 673 A C 2.017 179.475 177.584 -0.210 0.000 1.193 673 A CA 2.300 54.065 52.037 -0.455 0.000 0.629 673 A CB -0.337 18.178 19.000 -0.808 0.000 0.826 673 A HN 0.613 nan 8.150 nan 0.000 0.447 674 S N -3.856 111.783 115.700 -0.102 0.000 3.624 674 S HA 0.453 4.916 4.470 -0.012 0.000 0.244 674 S C 0.701 175.292 174.600 -0.015 0.000 1.115 674 S CA 1.439 59.626 58.200 -0.022 0.000 0.820 674 S CB -0.084 63.129 63.200 0.022 0.000 0.964 674 S HN 2.285 nan 8.310 nan 0.000 0.508 675 G N 0.399 109.194 108.800 -0.007 0.000 2.721 675 G HA2 -0.059 3.894 3.960 -0.012 0.000 0.686 675 G HA3 -0.059 3.894 3.960 -0.012 0.000 0.686 675 G C 0.250 175.133 174.900 -0.027 0.000 1.236 675 G CA 0.452 45.544 45.100 -0.013 0.000 0.786 675 G HN 1.296 nan 8.290 nan 0.000 0.616 676 T N -1.697 112.827 114.554 -0.048 0.000 3.010 676 T HA 0.379 4.722 4.350 -0.012 0.000 0.253 676 T C 2.440 177.046 174.700 -0.156 0.000 0.939 676 T CA 1.309 63.354 62.100 -0.093 0.000 0.910 676 T CB 0.170 68.976 68.868 -0.103 0.000 1.226 676 T HN 1.935 nan 8.240 nan 0.000 0.508 677 G N 3.274 112.007 108.800 -0.112 0.000 2.469 677 G HA2 -0.340 3.613 3.960 -0.012 0.000 0.219 677 G HA3 -0.340 3.613 3.960 -0.012 0.000 0.219 677 G C 1.461 176.432 174.900 0.118 0.000 1.150 677 G CA 1.381 46.449 45.100 -0.052 0.000 0.763 677 G HN 0.855 nan 8.290 nan 0.000 0.561 678 N N -0.059 118.680 118.700 0.064 0.000 2.060 678 N HA -0.123 4.610 4.740 -0.012 0.000 0.195 678 N C 1.473 176.996 175.510 0.022 0.000 1.028 678 N CA 0.767 53.850 53.050 0.055 0.000 0.861 678 N CB -0.364 38.108 38.487 -0.026 0.000 1.029 678 N HN 0.357 nan 8.380 nan 0.000 0.428 682 M N 0.354 120.040 119.600 0.143 0.000 2.149 682 M HA -0.173 4.300 4.480 -0.012 0.000 0.261 682 M C 1.977 178.329 176.300 0.087 0.000 1.064 682 M CA 1.854 57.208 55.300 0.090 0.000 1.102 682 M CB -0.066 32.578 32.600 0.074 0.000 1.369 682 M HN 0.334 nan 8.290 nan 0.000 0.408 683 L N 0.591 121.860 121.223 0.078 0.000 2.217 683 L HA -0.071 4.262 4.340 -0.012 0.000 0.211 683 L C 1.341 178.251 176.870 0.067 0.000 1.107 683 L CA 1.589 56.481 54.840 0.086 0.000 0.783 683 L CB -0.518 41.601 42.059 0.099 0.000 0.919 683 L HN 0.333 nan 8.230 nan 0.000 0.442 684 N N -0.269 118.460 118.700 0.049 0.000 2.235 684 N HA 0.179 4.912 4.740 -0.012 0.000 0.209 684 N C 0.786 176.327 175.510 0.052 0.000 1.122 684 N CA 0.791 53.862 53.050 0.036 0.000 0.845 684 N CB 0.623 39.104 38.487 -0.009 0.000 1.004 684 N HN 0.380 nan 8.380 nan 0.000 0.499 685 G N 0.617 109.457 108.800 0.066 0.000 2.165 685 G HA2 -0.178 3.775 3.960 -0.012 0.000 0.226 685 G HA3 -0.178 3.775 3.960 -0.012 0.000 0.226 685 G C -0.053 174.920 174.900 0.122 0.000 1.035 685 G CA 0.108 45.250 45.100 0.070 0.000 0.744 685 G HN 0.512 nan 8.290 nan 0.000 0.501 686 A N -0.383 122.520 122.820 0.138 0.000 2.320 686 A HA 0.899 5.212 4.320 -0.012 0.000 0.334 686 A C 0.355 177.959 177.584 0.033 0.000 1.147 686 A CA -0.645 51.495 52.037 0.172 0.000 0.820 686 A CB 1.061 20.220 19.000 0.265 0.000 1.218 686 A HN 0.743 nan 8.150 nan 0.000 0.482 687 L N 0.746 121.959 121.223 -0.018 0.000 2.379 687 L HA 0.454 4.787 4.340 -0.012 0.000 0.269 687 L C 0.139 176.904 176.870 -0.174 0.000 1.084 687 L CA -0.384 54.346 54.840 -0.184 0.000 0.802 687 L CB 1.625 43.478 42.059 -0.342 0.000 1.175 687 L HN 0.682 nan 8.230 nan 0.000 0.448 688 T N 2.923 117.245 114.554 -0.387 0.000 2.771 688 T HA 0.440 4.783 4.350 -0.012 0.000 0.281 688 T C -0.340 174.216 174.700 -0.240 0.000 0.982 688 T CA -0.228 61.598 62.100 -0.456 0.000 0.978 688 T CB 1.293 69.669 68.868 -0.819 0.000 0.930 688 T HN 0.342 nan 8.240 nan 0.000 0.447 689 I N 3.223 123.752 120.570 -0.068 0.000 2.321 689 I HA 0.694 4.857 4.170 -0.012 0.000 0.291 689 I C 0.182 176.430 176.117 0.219 0.000 0.998 689 I CA 0.152 61.525 61.300 0.121 0.000 1.227 689 I CB 0.248 38.258 38.000 0.017 0.000 1.368 689 I HN 0.771 nan 8.210 nan 0.000 0.466 690 G N 3.979 112.993 108.800 0.356 0.000 2.623 690 G HA2 0.445 4.398 3.960 -0.012 0.000 0.290 690 G HA3 0.445 4.398 3.960 -0.012 0.000 0.290 690 G C -0.884 173.968 174.900 -0.080 0.000 1.437 690 G CA -0.435 44.796 45.100 0.218 0.000 0.798 690 G HN 0.582 nan 8.290 nan 0.000 0.488 691 T N -1.241 113.118 114.554 -0.326 0.000 2.849 691 T HA 0.479 4.822 4.350 -0.012 0.000 0.284 691 T C 0.801 175.390 174.700 -0.185 0.000 1.004 691 T CA -0.658 61.169 62.100 -0.455 0.000 1.021 691 T CB 1.028 69.640 68.868 -0.427 0.000 1.013 691 T HN 0.259 nan 8.240 nan 0.000 0.527 692 M N 2.863 122.363 119.600 -0.166 0.000 3.442 692 M HA 0.307 4.780 4.480 -0.012 0.000 0.232 692 M C -0.403 175.847 176.300 -0.085 0.000 1.508 692 M CA 0.004 55.242 55.300 -0.103 0.000 1.647 692 M CB -1.888 30.659 32.600 -0.089 0.000 1.126 692 M HN 0.727 nan 8.290 nan 0.000 0.557 693 D N -0.087 120.270 120.400 -0.072 0.000 2.671 693 D HA 0.671 5.304 4.640 -0.012 0.000 0.232 693 D C 0.738 177.018 176.300 -0.035 0.000 1.114 693 D CA 0.714 54.684 54.000 -0.050 0.000 0.858 693 D CB 1.719 42.491 40.800 -0.048 0.000 1.544 693 D HN 0.588 nan 8.370 nan 0.000 0.471 694 G N 1.759 110.546 108.800 -0.021 0.000 2.652 694 G HA2 -0.268 3.685 3.960 -0.012 0.000 0.318 694 G HA3 -0.268 3.685 3.960 -0.012 0.000 0.318 694 G C 1.034 175.927 174.900 -0.010 0.000 1.295 694 G CA 1.201 46.293 45.100 -0.013 0.000 0.999 694 G HN 1.055 nan 8.290 nan 0.000 0.548 695 A N -0.324 122.486 122.820 -0.017 0.000 2.167 695 A HA 0.120 4.433 4.320 -0.012 0.000 0.214 695 A C 2.099 179.623 177.584 -0.100 0.000 1.151 695 A CA 1.734 53.755 52.037 -0.026 0.000 0.735 695 A CB -0.424 18.554 19.000 -0.036 0.000 0.802 695 A HN 0.618 nan 8.150 nan 0.000 0.467 696 N N 0.611 119.262 118.700 -0.082 0.000 2.137 696 N HA -0.162 4.571 4.740 -0.012 0.000 0.190 696 N C 1.580 176.962 175.510 -0.214 0.000 1.017 696 N CA 1.651 54.648 53.050 -0.088 0.000 0.859 696 N CB -0.612 37.882 38.487 0.011 0.000 1.002 696 N HN 0.307 nan 8.380 nan 0.000 0.428 697 V N 1.207 121.040 119.914 -0.134 0.000 2.295 697 V HA -0.200 3.913 4.120 -0.012 0.000 0.246 697 V C 1.977 177.995 176.094 -0.127 0.000 1.049 697 V CA 1.663 63.882 62.300 -0.135 0.000 1.024 697 V CB -0.494 31.286 31.823 -0.071 0.000 0.648 697 V HN 0.342 nan 8.190 nan 0.000 0.447 698 E N -0.548 119.630 120.200 -0.036 0.000 2.152 698 E HA -0.132 4.211 4.350 -0.012 0.000 0.192 698 E C 2.210 178.910 176.600 0.167 0.000 0.983 698 E CA 1.035 57.488 56.400 0.089 0.000 0.818 698 E CB -0.188 29.648 29.700 0.228 0.000 0.758 698 E HN 0.532 nan 8.360 nan 0.000 0.467 699 M N 0.601 120.182 119.600 -0.032 0.000 2.067 699 M HA -0.167 4.306 4.480 -0.012 0.000 0.260 699 M C 2.531 178.595 176.300 -0.394 0.000 1.069 699 M CA 1.676 56.874 55.300 -0.169 0.000 1.117 699 M CB -0.262 32.128 32.600 -0.350 0.000 1.334 699 M HN 0.148 nan 8.290 nan 0.000 0.407 700 A N -0.198 122.076 122.820 -0.911 0.000 1.940 700 A HA -0.239 4.074 4.320 -0.012 0.000 0.219 700 A C 1.978 179.361 177.584 -0.335 0.000 1.176 700 A CA 2.077 53.562 52.037 -0.919 0.000 0.631 700 A CB -0.875 17.595 19.000 -0.884 0.000 0.814 700 A HN 0.607 nan 8.150 nan 0.000 0.446 701 E N -0.462 119.612 120.200 -0.210 0.000 2.077 701 E HA -0.215 4.128 4.350 -0.012 0.000 0.193 701 E C 1.817 178.387 176.600 -0.049 0.000 0.989 701 E CA 1.275 57.616 56.400 -0.098 0.000 0.800 701 E CB -0.067 29.596 29.700 -0.061 0.000 0.746 701 E HN 0.565 nan 8.360 nan 0.000 0.452 702 E N 0.080 120.279 120.200 -0.003 0.000 2.072 702 E HA -0.134 4.209 4.350 -0.012 0.000 0.191 702 E C 1.875 178.495 176.600 0.033 0.000 0.985 702 E CA 1.127 57.547 56.400 0.034 0.000 0.801 702 E CB -0.192 29.580 29.700 0.121 0.000 0.750 702 E HN 0.362 nan 8.360 nan 0.000 0.452 703 A N 0.454 123.295 122.820 0.035 0.000 2.021 703 A HA 0.317 4.630 4.320 -0.012 0.000 0.216 703 A C 1.094 178.689 177.584 0.018 0.000 1.163 703 A CA 1.147 53.218 52.037 0.058 0.000 0.676 703 A CB -0.076 19.012 19.000 0.146 0.000 0.818 703 A HN 0.266 nan 8.150 nan 0.000 0.453 704 G N -0.697 108.089 108.800 -0.024 0.000 2.907 704 G HA2 -0.097 3.856 3.960 -0.012 0.000 0.686 704 G HA3 -0.097 3.856 3.960 -0.012 0.000 0.686 704 G C -0.029 174.850 174.900 -0.036 0.000 1.115 704 G CA 0.005 45.086 45.100 -0.033 0.000 0.760 704 G HN 0.249 nan 8.290 nan 0.000 0.620 705 E N 0.947 121.116 120.200 -0.051 0.000 2.204 705 E HA -0.133 4.210 4.350 -0.012 0.000 0.195 705 E C 2.055 178.639 176.600 -0.027 0.000 0.990 705 E CA 1.649 58.027 56.400 -0.038 0.000 0.821 705 E CB 0.085 29.760 29.700 -0.041 0.000 0.750 705 E HN 0.759 nan 8.360 nan 0.000 0.477 706 E N 0.872 121.044 120.200 -0.046 0.000 2.204 706 E HA -0.117 4.226 4.350 -0.012 0.000 0.195 706 E C 1.066 177.576 176.600 -0.149 0.000 0.990 706 E CA 0.734 57.086 56.400 -0.081 0.000 0.821 706 E CB -0.051 29.614 29.700 -0.059 0.000 0.750 706 E HN 0.158 nan 8.360 nan 0.000 0.477 707 N N -0.451 118.190 118.700 -0.100 0.000 2.268 707 N HA 0.130 4.863 4.740 -0.012 0.000 0.204 707 N C -0.912 174.512 175.510 -0.145 0.000 1.124 707 N CA 0.118 53.082 53.050 -0.143 0.000 0.838 707 N CB 0.380 38.838 38.487 -0.050 0.000 0.994 707 N HN 0.049 nan 8.380 nan 0.000 0.489 708 F N -0.313 119.410 119.950 -0.379 0.000 2.588 708 F HA 0.395 4.914 4.527 -0.013 0.000 0.310 708 F C -0.852 174.713 175.800 -0.393 0.000 1.082 708 F CA -1.129 56.686 58.000 -0.310 0.000 0.929 708 F CB 1.312 40.229 39.000 -0.138 0.000 1.254 708 F HN -0.220 nan 8.300 nan 0.000 0.455 709 F N 5.526 125.463 119.950 -0.021 0.000 2.425 709 F HA 0.419 4.939 4.527 -0.011 0.000 0.354 709 F C -0.208 175.718 175.800 0.210 0.000 1.162 709 F CA -0.451 57.586 58.000 0.061 0.000 1.250 709 F CB -0.144 38.842 39.000 -0.025 0.000 1.579 709 F HN 0.065 nan 8.300 nan 0.000 0.589 710 I N 3.868 124.643 120.570 0.341 0.000 2.428 710 I HA 0.367 4.530 4.170 -0.012 0.000 0.289 710 I C -0.173 176.136 176.117 0.319 0.000 1.019 710 I CA -0.435 61.032 61.300 0.279 0.000 1.351 710 I CB 0.602 38.691 38.000 0.148 0.000 1.412 710 I HN 0.359 nan 8.210 nan 0.000 0.513 711 F N 3.316 123.335 119.950 0.116 0.000 2.662 711 F HA 0.935 5.455 4.527 -0.012 0.000 0.312 711 F C -0.020 175.823 175.800 0.072 0.000 1.113 711 F CA -0.660 57.397 58.000 0.095 0.000 0.951 711 F CB 1.031 40.100 39.000 0.115 0.000 1.344 711 F HN 0.839 nan 8.300 nan 0.000 0.462 712 G N 1.167 110.021 108.800 0.089 0.000 2.710 712 G HA2 -0.049 3.904 3.960 -0.012 0.000 0.668 712 G HA3 -0.049 3.904 3.960 -0.012 0.000 0.668 712 G C -0.939 173.930 174.900 -0.052 0.000 1.320 712 G CA -0.674 44.419 45.100 -0.010 0.000 0.860 712 G HN 0.963 nan 8.290 nan 0.000 0.538 713 M N 0.919 120.499 119.600 -0.032 0.000 2.249 713 M HA 0.203 4.676 4.480 -0.012 0.000 0.340 713 M C 1.243 177.507 176.300 -0.059 0.000 1.166 713 M CA 0.057 55.345 55.300 -0.020 0.000 1.115 713 M CB 0.278 32.875 32.600 -0.005 0.000 1.606 713 M HN 0.521 nan 8.290 nan 0.000 0.448 714 R N 1.787 122.266 120.500 -0.035 0.000 2.541 714 R HA 0.240 4.573 4.340 -0.012 0.000 0.263 714 R C 1.223 177.505 176.300 -0.030 0.000 1.112 714 R CA -0.533 55.542 56.100 -0.041 0.000 1.170 714 R CB -0.064 30.219 30.300 -0.028 0.000 1.167 714 R HN 0.577 nan 8.270 nan 0.000 0.582 715 V N 1.493 121.388 119.914 -0.031 0.000 2.324 715 V HA -0.280 3.833 4.120 -0.012 0.000 0.250 715 V C 1.914 177.999 176.094 -0.015 0.000 1.060 715 V CA 2.060 64.346 62.300 -0.024 0.000 1.042 715 V CB -0.495 31.313 31.823 -0.026 0.000 0.650 715 V HN 0.624 nan 8.190 nan 0.000 0.450 716 E N 0.175 120.368 120.200 -0.012 0.000 2.077 716 E HA -0.191 4.152 4.350 -0.012 0.000 0.193 716 E C 1.990 178.594 176.600 0.008 0.000 0.989 716 E CA 1.477 57.875 56.400 -0.003 0.000 0.800 716 E CB -0.369 29.330 29.700 -0.002 0.000 0.746 716 E HN 0.631 nan 8.360 nan 0.000 0.452 717 D N -0.170 120.236 120.400 0.011 0.000 2.144 717 D HA -0.102 4.531 4.640 -0.012 0.000 0.200 717 D C 1.987 178.304 176.300 0.028 0.000 0.978 717 D CA 0.865 54.881 54.000 0.027 0.000 0.833 717 D CB -0.065 40.755 40.800 0.032 0.000 0.961 717 D HN 0.071 nan 8.370 nan 0.000 0.470 718 V N 1.890 121.809 119.914 0.008 0.000 2.295 718 V HA -0.217 3.896 4.120 -0.012 0.000 0.246 718 V C 2.005 178.102 176.094 0.005 0.000 1.049 718 V CA 1.684 63.982 62.300 -0.004 0.000 1.024 718 V CB -0.452 31.360 31.823 -0.019 0.000 0.648 718 V HN 0.018 nan 8.190 nan 0.000 0.447 719 D N -0.030 120.373 120.400 0.005 0.000 2.104 719 D HA -0.172 4.461 4.640 -0.012 0.000 0.194 719 D C 2.412 178.726 176.300 0.023 0.000 0.994 719 D CA 1.383 55.388 54.000 0.009 0.000 0.830 719 D CB -0.279 40.523 40.800 0.003 0.000 0.959 719 D HN 0.340 nan 8.370 nan 0.000 0.452 720 R N 0.033 120.552 120.500 0.030 0.000 2.091 720 R HA -0.035 4.298 4.340 -0.012 0.000 0.238 720 R C 2.514 178.851 176.300 0.062 0.000 1.136 720 R CA 0.554 56.680 56.100 0.043 0.000 0.959 720 R CB -0.374 29.954 30.300 0.045 0.000 0.856 720 R HN 0.201 nan 8.270 nan 0.000 0.437 721 L N 0.546 121.815 121.223 0.077 0.000 2.093 721 L HA -0.209 4.124 4.340 -0.012 0.000 0.208 721 L C 1.474 178.412 176.870 0.113 0.000 1.085 721 L CA 1.329 56.241 54.840 0.120 0.000 0.755 721 L CB -0.263 41.881 42.059 0.142 0.000 0.904 721 L HN 0.240 nan 8.230 nan 0.000 0.435 722 D N -0.533 119.908 120.400 0.068 0.000 2.144 722 D HA -0.197 4.436 4.640 -0.012 0.000 0.200 722 D C 2.225 178.558 176.300 0.054 0.000 0.978 722 D CA 1.091 55.124 54.000 0.056 0.000 0.833 722 D CB 0.019 40.832 40.800 0.022 0.000 0.961 722 D HN 0.419 nan 8.370 nan 0.000 0.470 723 Q N -0.067 119.761 119.800 0.046 0.000 2.119 723 Q HA -0.061 4.272 4.340 -0.012 0.000 0.201 723 Q C 2.214 178.241 176.000 0.046 0.000 0.972 723 Q CA 0.840 56.666 55.803 0.039 0.000 0.847 723 Q CB 0.083 28.840 28.738 0.032 0.000 0.903 723 Q HN 0.118 nan 8.270 nan 0.000 0.433 724 R N -0.278 120.258 120.500 0.059 0.000 2.119 724 R HA 0.033 4.366 4.340 -0.012 0.000 0.222 724 R C -0.169 176.173 176.300 0.070 0.000 1.088 724 R CA 0.862 56.998 56.100 0.061 0.000 0.984 724 R CB 0.293 30.635 30.300 0.070 0.000 0.884 724 R HN 0.265 nan 8.270 nan 0.000 0.447 725 G N -0.067 108.789 108.800 0.093 0.000 3.225 725 G HA2 -0.258 3.695 3.960 -0.012 0.000 0.686 725 G HA3 -0.258 3.695 3.960 -0.012 0.000 0.686 725 G C -1.433 173.567 174.900 0.167 0.000 1.105 725 G CA -0.402 44.763 45.100 0.109 0.000 0.831 725 G HN 0.262 nan 8.290 nan 0.000 0.578 726 Y N 3.730 124.068 120.300 0.062 0.000 2.436 726 Y HA 0.543 5.086 4.550 -0.012 0.000 0.343 726 Y C 0.487 176.447 175.900 0.099 0.000 1.008 726 Y CA -0.792 57.364 58.100 0.093 0.000 1.241 726 Y CB 0.851 39.349 38.460 0.062 0.000 1.153 726 Y HN 0.582 nan 8.280 nan 0.000 0.521 727 N N 5.205 123.713 118.700 -0.319 0.000 2.564 727 N HA 0.330 5.063 4.740 -0.012 0.000 0.248 727 N C 0.218 175.495 175.510 -0.387 0.000 0.986 727 N CA 0.221 53.083 53.050 -0.315 0.000 0.921 727 N CB 1.282 39.703 38.487 -0.109 0.000 1.136 727 N HN 0.883 nan 8.380 nan 0.000 0.509 728 A N 3.008 125.502 122.820 -0.543 0.000 1.972 728 A HA -0.217 4.096 4.320 -0.012 0.000 0.219 728 A C 1.999 179.705 177.584 0.203 0.000 1.169 728 A CA 1.306 53.241 52.037 -0.170 0.000 0.635 728 A CB -0.404 18.426 19.000 -0.284 0.000 0.810 728 A HN 0.765 nan 8.150 nan 0.000 0.446 729 Q N 0.249 120.065 119.800 0.026 0.000 2.112 729 Q HA -0.254 4.079 4.340 -0.012 0.000 0.206 729 Q C 1.896 177.963 176.000 0.111 0.000 0.987 729 Q CA 2.397 58.235 55.803 0.057 0.000 0.858 729 Q CB -0.391 28.335 28.738 -0.019 0.000 0.905 729 Q HN 0.772 nan 8.270 nan 0.000 0.420 730 E N -1.450 118.759 120.200 0.014 0.000 2.097 730 E HA -0.245 4.098 4.350 -0.012 0.000 0.196 730 E C 1.600 178.124 176.600 -0.128 0.000 1.000 730 E CA 1.528 57.865 56.400 -0.105 0.000 0.804 730 E CB -0.210 29.336 29.700 -0.256 0.000 0.740 730 E HN 0.600 nan 8.360 nan 0.000 0.454 731 Y N -1.211 119.152 120.300 0.105 0.000 2.220 731 Y HA -0.192 4.351 4.550 -0.012 0.000 0.291 731 Y C 2.187 178.077 175.900 -0.017 0.000 1.129 731 Y CA 1.431 59.578 58.100 0.080 0.000 1.161 731 Y CB -0.631 37.930 38.460 0.169 0.000 0.997 731 Y HN 0.216 nan 8.280 nan 0.000 0.522 732 Y N 1.369 121.688 120.300 0.031 0.000 2.165 732 Y HA -0.278 4.265 4.550 -0.012 0.000 0.286 732 Y C 1.848 177.710 175.900 -0.063 0.000 1.155 732 Y CA 1.888 59.935 58.100 -0.089 0.000 1.164 732 Y CB -0.355 38.100 38.460 -0.008 0.000 0.978 732 Y HN 0.088 nan 8.280 nan 0.000 0.513 733 D N -0.350 120.133 120.400 0.139 0.000 2.178 733 D HA -0.101 4.532 4.640 -0.012 0.000 0.202 733 D C 1.844 178.117 176.300 -0.045 0.000 0.974 733 D CA 1.225 55.252 54.000 0.046 0.000 0.841 733 D CB -0.120 40.725 40.800 0.075 0.000 0.953 733 D HN 0.487 nan 8.370 nan 0.000 0.478 734 R N -0.190 120.284 120.500 -0.044 0.000 2.334 734 R HA 0.278 4.611 4.340 -0.012 0.000 0.212 734 R C 0.377 176.654 176.300 -0.038 0.000 0.897 734 R CA 0.085 56.160 56.100 -0.042 0.000 1.056 734 R CB 1.117 31.390 30.300 -0.045 0.000 1.046 734 R HN 0.145 nan 8.270 nan 0.000 0.513 735 I N 2.189 122.717 120.570 -0.071 0.000 2.464 735 I HA 0.224 4.387 4.170 -0.012 0.000 0.277 735 I C -1.964 174.060 176.117 -0.155 0.000 1.040 735 I CA -2.304 58.958 61.300 -0.064 0.000 1.153 735 I CB 2.175 40.171 38.000 -0.007 0.000 1.274 735 I HN -0.282 nan 8.210 nan 0.000 0.469 736 P HA -0.129 nan 4.420 nan 0.000 0.218 736 P C 1.146 178.351 177.300 -0.157 0.000 1.149 736 P CA 1.257 64.266 63.100 -0.152 0.000 0.817 736 P CB 0.317 31.961 31.700 -0.095 0.000 0.785 737 E N -0.948 119.194 120.200 -0.098 0.000 2.150 737 E HA -0.140 4.203 4.350 -0.012 0.000 0.193 737 E C 1.819 178.317 176.600 -0.170 0.000 0.985 737 E CA 0.611 56.968 56.400 -0.071 0.000 0.814 737 E CB -0.537 29.192 29.700 0.048 0.000 0.752 737 E HN 0.132 nan 8.360 nan 0.000 0.466 738 L N 1.221 122.256 121.223 -0.314 0.000 2.072 738 L HA -0.116 4.217 4.340 -0.012 0.000 0.205 738 L C 2.376 178.970 176.870 -0.460 0.000 1.079 738 L CA 1.571 56.067 54.840 -0.573 0.000 0.752 738 L CB -0.284 41.292 42.059 -0.805 0.000 0.906 738 L HN -0.089 nan 8.230 nan 0.000 0.436 739 R N -0.858 119.340 120.500 -0.502 0.000 2.083 739 R HA -0.248 4.085 4.340 -0.012 0.000 0.237 739 R C 2.399 178.521 176.300 -0.297 0.000 1.137 739 R CA 2.071 57.782 56.100 -0.649 0.000 0.951 739 R CB -0.385 29.464 30.300 -0.751 0.000 0.851 739 R HN 0.572 nan 8.270 nan 0.000 0.434 740 Q N 0.379 120.045 119.800 -0.223 0.000 2.096 740 Q HA -0.198 4.135 4.340 -0.012 0.000 0.204 740 Q C 2.109 178.053 176.000 -0.094 0.000 0.982 740 Q CA 2.028 57.748 55.803 -0.138 0.000 0.850 740 Q CB -0.109 28.551 28.738 -0.131 0.000 0.901 740 Q HN 0.479 nan 8.270 nan 0.000 0.422 741 I N 0.525 121.036 120.570 -0.098 0.000 2.179 741 I HA -0.293 3.870 4.170 -0.012 0.000 0.242 741 I C 2.167 178.305 176.117 0.035 0.000 1.088 741 I CA 0.688 61.970 61.300 -0.029 0.000 1.357 741 I CB -0.304 37.651 38.000 -0.075 0.000 1.051 741 I HN 0.290 nan 8.210 nan 0.000 0.409 742 I N 0.824 121.412 120.570 0.030 0.000 2.286 742 I HA -0.239 3.924 4.170 -0.012 0.000 0.248 742 I C 2.419 178.635 176.117 0.164 0.000 1.115 742 I CA 1.673 63.059 61.300 0.144 0.000 1.392 742 I CB -1.194 36.975 38.000 0.283 0.000 1.065 742 I HN 0.341 nan 8.210 nan 0.000 0.418 743 E N 0.273 120.548 120.200 0.124 0.000 2.106 743 E HA -0.221 4.122 4.350 -0.012 0.000 0.192 743 E C 2.176 178.836 176.600 0.101 0.000 0.984 743 E CA 0.839 57.305 56.400 0.110 0.000 0.806 743 E CB -0.063 29.674 29.700 0.061 0.000 0.750 743 E HN 0.562 nan 8.360 nan 0.000 0.458 744 Q N 0.328 120.172 119.800 0.074 0.000 2.079 744 Q HA -0.121 4.212 4.340 -0.012 0.000 0.200 744 Q C 2.299 178.479 176.000 0.301 0.000 0.974 744 Q CA 0.953 56.813 55.803 0.096 0.000 0.840 744 Q CB -0.004 28.706 28.738 -0.047 0.000 0.898 744 Q HN 0.303 nan 8.270 nan 0.000 0.430 745 L N -0.199 121.212 121.223 0.315 0.000 2.027 745 L HA -0.181 4.152 4.340 -0.012 0.000 0.206 745 L C 2.473 179.531 176.870 0.312 0.000 1.074 745 L CA 0.926 55.974 54.840 0.348 0.000 0.745 745 L CB -0.392 41.785 42.059 0.198 0.000 0.898 745 L HN 0.134 nan 8.230 nan 0.000 0.433 746 S N -0.192 115.643 115.700 0.225 0.000 2.356 746 S HA -0.159 4.303 4.470 -0.012 0.000 0.223 746 S C 2.092 176.791 174.600 0.166 0.000 1.032 746 S CA 1.629 59.939 58.200 0.183 0.000 1.005 746 S CB -0.219 63.069 63.200 0.146 0.000 0.867 746 S HN 0.602 nan 8.310 nan 0.000 0.449 747 S N 0.290 116.088 115.700 0.162 0.000 2.522 747 S HA 0.288 4.751 4.470 -0.012 0.000 0.227 747 S C 1.378 176.063 174.600 0.142 0.000 0.986 747 S CA 0.779 59.059 58.200 0.134 0.000 0.929 747 S CB -0.054 63.218 63.200 0.120 0.000 0.769 747 S HN 0.842 nan 8.310 nan 0.000 0.529 748 G N 0.495 109.410 108.800 0.193 0.000 2.131 748 G HA2 -0.269 3.684 3.960 -0.012 0.000 0.201 748 G HA3 -0.269 3.684 3.960 -0.012 0.000 0.201 748 G C 0.155 175.145 174.900 0.150 0.000 1.000 748 G CA 0.076 45.280 45.100 0.173 0.000 0.680 748 G HN 0.499 nan 8.290 nan 0.000 0.514 749 F N 0.258 120.205 119.950 -0.004 0.000 2.161 749 F HA 0.161 4.680 4.527 -0.012 0.000 0.300 749 F C 1.879 177.467 175.800 -0.353 0.000 1.089 749 F CA 2.032 59.898 58.000 -0.223 0.000 1.282 749 F CB -0.040 38.734 39.000 -0.376 0.000 1.010 749 F HN 0.189 nan 8.300 nan 0.000 0.485 750 F N -0.487 119.608 119.950 0.242 0.000 2.695 750 F HA 0.205 4.725 4.527 -0.012 0.000 0.303 750 F C 0.617 176.528 175.800 0.185 0.000 1.091 750 F CA 0.200 58.300 58.000 0.166 0.000 1.300 750 F CB -0.108 39.002 39.000 0.183 0.000 1.071 750 F HN -0.059 nan 8.300 nan 0.000 0.578 751 S N -1.631 114.213 115.700 0.241 0.000 2.386 751 S HA 0.322 4.785 4.470 -0.012 0.000 0.152 751 S C -2.495 172.117 174.600 0.020 0.000 1.511 751 S CA -1.035 57.226 58.200 0.101 0.000 1.246 751 S CB 1.004 64.205 63.200 0.001 0.000 1.338 751 S HN -0.179 nan 8.310 nan 0.000 0.409 752 P HA -0.015 nan 4.420 nan 0.000 0.218 752 P C 1.031 178.317 177.300 -0.025 0.000 1.149 752 P CA 1.048 64.121 63.100 -0.045 0.000 0.817 752 P CB 0.120 31.770 31.700 -0.084 0.000 0.785 753 K N -1.056 119.332 120.400 -0.020 0.000 2.361 753 K HA 0.051 4.364 4.320 -0.012 0.000 0.196 753 K C 0.552 177.145 176.600 -0.010 0.000 1.039 753 K CA 0.679 56.958 56.287 -0.014 0.000 1.001 753 K CB 0.151 32.645 32.500 -0.010 0.000 0.795 753 K HN 0.289 nan 8.250 nan 0.000 0.495 754 Q N -0.115 119.675 119.800 -0.017 0.000 3.244 754 Q HA 0.159 4.492 4.340 -0.012 0.000 0.249 754 Q C -2.414 173.569 176.000 -0.028 0.000 0.951 754 Q CA -1.582 54.206 55.803 -0.025 0.000 0.740 754 Q CB 1.511 30.227 28.738 -0.037 0.000 1.334 754 Q HN -0.095 nan 8.270 nan 0.000 0.448 755 P HA -0.218 nan 4.420 nan 0.000 0.218 755 P C 0.569 177.897 177.300 0.046 0.000 1.146 755 P CA 1.467 64.588 63.100 0.034 0.000 0.813 755 P CB 0.202 31.925 31.700 0.037 0.000 0.778 756 D N -1.555 118.856 120.400 0.018 0.000 2.388 756 D HA 0.007 4.640 4.640 -0.012 0.000 0.221 756 D C 1.550 177.842 176.300 -0.014 0.000 1.133 756 D CA -0.301 53.718 54.000 0.032 0.000 0.831 756 D CB -0.708 40.114 40.800 0.036 0.000 0.962 756 D HN 0.024 nan 8.370 nan 0.000 0.502 757 L N -0.074 121.070 121.223 -0.132 0.000 2.043 757 L HA -0.055 4.278 4.340 -0.012 0.000 0.212 757 L C 1.144 177.824 176.870 -0.317 0.000 1.075 757 L CA 1.679 56.333 54.840 -0.311 0.000 0.752 757 L CB -0.578 41.102 42.059 -0.632 0.000 0.891 757 L HN -0.007 nan 8.230 nan 0.000 0.432 758 F N -0.543 119.463 119.950 0.094 0.000 2.668 758 F HA 0.133 4.653 4.527 -0.011 0.000 0.297 758 F C 1.836 177.684 175.800 0.081 0.000 1.124 758 F CA -0.190 57.854 58.000 0.074 0.000 1.353 758 F CB -0.324 38.709 39.000 0.055 0.000 0.992 758 F HN 0.112 nan 8.300 nan 0.000 0.524 759 K N -0.381 120.134 120.400 0.191 0.000 2.147 759 K HA -0.175 4.138 4.320 -0.012 0.000 0.205 759 K C 0.964 177.660 176.600 0.159 0.000 1.049 759 K CA 1.871 58.251 56.287 0.156 0.000 0.936 759 K CB -0.210 32.358 32.500 0.114 0.000 0.722 759 K HN 0.084 nan 8.250 nan 0.000 0.446 760 D N 1.393 121.901 120.400 0.180 0.000 2.117 760 D HA -0.083 4.550 4.640 -0.012 0.000 0.197 760 D C 2.066 178.455 176.300 0.149 0.000 0.987 760 D CA 1.169 55.283 54.000 0.190 0.000 0.829 760 D CB -0.101 40.854 40.800 0.257 0.000 0.961 760 D HN 0.308 nan 8.370 nan 0.000 0.460 761 I N 0.484 121.143 120.570 0.148 0.000 2.202 761 I HA -0.213 3.950 4.170 -0.012 0.000 0.242 761 I C 2.455 178.594 176.117 0.037 0.000 1.091 761 I CA 0.630 61.978 61.300 0.080 0.000 1.368 761 I CB -0.300 37.743 38.000 0.073 0.000 1.058 761 I HN -0.113 nan 8.210 nan 0.000 0.410 762 V N 1.225 121.186 119.914 0.079 0.000 2.295 762 V HA -0.298 3.815 4.120 -0.012 0.000 0.246 762 V C 2.272 178.359 176.094 -0.013 0.000 1.049 762 V CA 2.374 64.708 62.300 0.057 0.000 1.024 762 V CB -0.985 30.902 31.823 0.106 0.000 0.648 762 V HN 0.460 nan 8.190 nan 0.000 0.447 763 N N -0.089 118.633 118.700 0.038 0.000 2.069 763 N HA -0.227 4.506 4.740 -0.012 0.000 0.191 763 N C 1.845 177.243 175.510 -0.187 0.000 1.031 763 N CA 1.972 55.063 53.050 0.069 0.000 0.852 763 N CB -0.310 38.280 38.487 0.172 0.000 1.018 763 N HN 0.339 nan 8.380 nan 0.000 0.423 764 M N -0.260 119.168 119.600 -0.286 0.000 2.067 764 M HA -0.117 4.356 4.480 -0.012 0.000 0.260 764 M C 1.476 177.514 176.300 -0.436 0.000 1.069 764 M CA 1.304 56.244 55.300 -0.600 0.000 1.117 764 M CB -0.673 31.822 32.600 -0.174 0.000 1.334 764 M HN 0.195 nan 8.290 nan 0.000 0.407 765 L N 0.750 121.791 121.223 -0.304 0.000 2.042 765 L HA -0.231 4.102 4.340 -0.012 0.000 0.210 765 L C 2.484 179.019 176.870 -0.558 0.000 1.076 765 L CA 1.732 56.307 54.840 -0.442 0.000 0.749 765 L CB -1.163 40.684 42.059 -0.354 0.000 0.893 765 L HN 0.361 nan 8.230 nan 0.000 0.432 766 M N -2.014 117.320 119.600 -0.443 0.000 2.288 766 M HA -0.072 4.401 4.480 -0.012 0.000 0.266 766 M C 1.847 177.738 176.300 -0.682 0.000 1.072 766 M CA 1.416 56.373 55.300 -0.572 0.000 1.132 766 M CB -0.752 31.413 32.600 -0.726 0.000 1.386 766 M HN 0.355 nan 8.290 nan 0.000 0.432 767 H N -1.962 116.994 119.070 -0.191 0.000 3.091 767 H HA 0.186 4.735 4.556 -0.012 0.000 0.249 767 H C 0.090 175.425 175.328 0.012 0.000 0.985 767 H CA 0.613 56.616 56.048 -0.075 0.000 1.177 767 H CB 0.303 30.083 29.762 0.030 0.000 1.456 767 H HN 0.563 nan 8.280 nan 0.000 0.467 768 H N -1.133 117.988 119.070 0.086 0.000 2.712 768 H HA 0.289 4.838 4.556 -0.012 0.000 0.226 768 H C -1.228 174.118 175.328 0.030 0.000 1.422 768 H CA -0.636 55.449 56.048 0.062 0.000 1.270 768 H CB 0.028 29.826 29.762 0.060 0.000 1.891 768 H HN -0.125 nan 8.280 nan 0.000 0.518 769 D N 1.390 121.801 120.400 0.018 0.000 2.411 769 D HA 0.145 4.778 4.640 -0.012 0.000 0.225 769 D C 0.910 177.157 176.300 -0.088 0.000 1.156 769 D CA -0.445 53.545 54.000 -0.016 0.000 0.874 769 D CB 0.771 41.548 40.800 -0.038 0.000 1.034 769 D HN 0.479 nan 8.370 nan 0.000 0.502 770 R N 2.303 122.648 120.500 -0.258 0.000 2.189 770 R HA -0.065 4.268 4.340 -0.012 0.000 0.223 770 R C 0.617 176.444 176.300 -0.789 0.000 1.092 770 R CA 0.989 56.717 56.100 -0.620 0.000 0.989 770 R CB 0.081 29.774 30.300 -1.012 0.000 0.876 770 R HN 0.425 nan 8.270 nan 0.000 0.457 771 F N 0.154 120.066 119.950 -0.064 0.000 2.654 771 F HA 0.280 4.800 4.527 -0.012 0.000 0.303 771 F C -0.001 175.679 175.800 -0.200 0.000 1.099 771 F CA -0.652 57.297 58.000 -0.086 0.000 1.270 771 F CB 0.239 39.252 39.000 0.022 0.000 1.024 771 F HN -0.258 nan 8.300 nan 0.000 0.548 772 K N -0.304 119.913 120.400 -0.304 0.000 3.257 772 K HA -0.170 4.143 4.320 -0.012 0.000 0.270 772 K C 0.933 177.411 176.600 -0.202 0.000 0.984 772 K CA 0.182 56.104 56.287 -0.608 0.000 0.739 772 K CB -1.856 30.203 32.500 -0.736 0.000 1.351 772 K HN 0.215 nan 8.250 nan 0.000 0.463 773 V N 0.039 119.907 119.914 -0.075 0.000 2.287 773 V HA -0.284 3.829 4.120 -0.012 0.000 0.248 773 V C 1.962 178.182 176.094 0.210 0.000 1.053 773 V CA 2.300 64.630 62.300 0.051 0.000 1.027 773 V CB -0.487 31.359 31.823 0.039 0.000 0.646 773 V HN 0.507 nan 8.190 nan 0.000 0.447 774 F N 0.167 120.113 119.950 -0.007 0.000 2.216 774 F HA -0.167 4.353 4.527 -0.012 0.000 0.300 774 F C 2.529 178.106 175.800 -0.372 0.000 1.085 774 F CA 0.613 58.551 58.000 -0.104 0.000 1.326 774 F CB -0.381 38.573 39.000 -0.076 0.000 1.027 774 F HN 0.201 nan 8.300 nan 0.000 0.497 775 A N -0.430 122.204 122.820 -0.309 0.000 2.019 775 A HA -0.205 4.108 4.320 -0.012 0.000 0.219 775 A C 1.460 179.025 177.584 -0.031 0.000 1.164 775 A CA 1.938 53.713 52.037 -0.437 0.000 0.644 775 A CB -0.464 18.433 19.000 -0.172 0.000 0.805 775 A HN 0.233 nan 8.150 nan 0.000 0.449 776 D N -2.956 117.491 120.400 0.079 0.000 2.369 776 D HA 0.092 4.725 4.640 -0.012 0.000 0.211 776 D C 1.184 177.646 176.300 0.269 0.000 1.077 776 D CA -0.020 54.105 54.000 0.208 0.000 0.842 776 D CB -0.121 40.815 40.800 0.227 0.000 0.947 776 D HN 0.584 nan 8.370 nan 0.000 0.509 777 Y N 2.050 122.427 120.300 0.128 0.000 2.097 777 Y HA -0.211 4.332 4.550 -0.011 0.000 0.282 777 Y C 2.075 178.055 175.900 0.134 0.000 1.152 777 Y CA 1.878 60.064 58.100 0.143 0.000 1.136 777 Y CB 0.175 38.689 38.460 0.090 0.000 0.975 777 Y HN -0.110 nan 8.280 nan 0.000 0.498 778 E N 0.041 120.306 120.200 0.108 0.000 2.038 778 E HA -0.255 4.088 4.350 -0.012 0.000 0.195 778 E C 2.202 178.773 176.600 -0.049 0.000 1.000 778 E CA 1.614 58.012 56.400 -0.004 0.000 0.803 778 E CB -0.211 29.584 29.700 0.157 0.000 0.750 778 E HN 0.623 nan 8.360 nan 0.000 0.448 779 E N -0.207 120.040 120.200 0.077 0.000 2.118 779 E HA -0.220 4.123 4.350 -0.012 0.000 0.195 779 E C 1.959 178.546 176.600 -0.021 0.000 0.992 779 E CA 0.963 57.429 56.400 0.109 0.000 0.804 779 E CB -0.163 29.698 29.700 0.268 0.000 0.741 779 E HN 0.269 nan 8.360 nan 0.000 0.458 780 Y N 1.175 121.284 120.300 -0.319 0.000 2.114 780 Y HA -0.225 4.318 4.550 -0.012 0.000 0.284 780 Y C 2.164 177.668 175.900 -0.660 0.000 1.143 780 Y CA 1.075 58.670 58.100 -0.842 0.000 1.135 780 Y CB -0.522 37.481 38.460 -0.763 0.000 0.980 780 Y HN -0.202 nan 8.280 nan 0.000 0.499 781 V N 0.410 119.950 119.914 -0.624 0.000 2.343 781 V HA -0.313 3.800 4.120 -0.012 0.000 0.247 781 V C 2.347 178.199 176.094 -0.403 0.000 1.051 781 V CA 2.352 64.304 62.300 -0.580 0.000 1.036 781 V CB -0.673 30.833 31.823 -0.529 0.000 0.654 781 V HN 0.224 nan 8.190 nan 0.000 0.451 782 K N -0.622 119.610 120.400 -0.280 0.000 2.026 782 K HA -0.190 4.123 4.320 -0.012 0.000 0.208 782 K C 2.273 178.774 176.600 -0.164 0.000 1.048 782 K CA 1.828 58.018 56.287 -0.161 0.000 0.929 782 K CB -0.817 31.639 32.500 -0.074 0.000 0.713 782 K HN 0.551 nan 8.250 nan 0.000 0.439 783 C N 0.877 120.053 119.300 -0.207 0.000 2.425 783 C HA -0.083 4.370 4.460 -0.012 0.000 0.277 783 C C 2.469 177.268 174.990 -0.318 0.000 1.280 783 C CA 0.715 59.637 59.018 -0.160 0.000 1.744 783 C CB -0.710 26.968 27.740 -0.103 0.000 1.989 783 C HN 0.465 nan 8.230 nan 0.000 0.491 784 Q N 0.505 119.975 119.800 -0.549 0.000 2.170 784 Q HA -0.179 4.154 4.340 -0.012 0.000 0.203 784 Q C 2.001 177.797 176.000 -0.341 0.000 0.976 784 Q CA 1.699 57.136 55.803 -0.611 0.000 0.858 784 Q CB -0.396 27.728 28.738 -1.023 0.000 0.907 784 Q HN 0.765 nan 8.270 nan 0.000 0.433 785 E N 0.200 120.260 120.200 -0.232 0.000 2.077 785 E HA -0.142 4.201 4.350 -0.012 0.000 0.193 785 E C 2.070 178.626 176.600 -0.072 0.000 0.989 785 E CA 0.598 56.927 56.400 -0.118 0.000 0.800 785 E CB -0.046 29.605 29.700 -0.082 0.000 0.746 785 E HN 0.272 nan 8.360 nan 0.000 0.452 786 R N 0.492 120.955 120.500 -0.062 0.000 2.120 786 R HA -0.089 4.244 4.340 -0.012 0.000 0.234 786 R C 2.396 178.710 176.300 0.024 0.000 1.123 786 R CA 0.888 57.018 56.100 0.049 0.000 0.975 786 R CB -0.306 30.090 30.300 0.159 0.000 0.866 786 R HN 0.072 nan 8.270 nan 0.000 0.446 787 V N 0.579 120.312 119.914 -0.302 0.000 2.295 787 V HA -0.235 3.878 4.120 -0.012 0.000 0.246 787 V C 2.196 178.288 176.094 -0.004 0.000 1.049 787 V CA 1.985 64.024 62.300 -0.434 0.000 1.024 787 V CB -0.395 31.036 31.823 -0.653 0.000 0.648 787 V HN 0.275 nan 8.190 nan 0.000 0.447 788 S N 0.184 115.848 115.700 -0.060 0.000 2.382 788 S HA -0.177 4.286 4.470 -0.012 0.000 0.228 788 S C 2.219 176.885 174.600 0.109 0.000 1.027 788 S CA 1.398 59.600 58.200 0.003 0.000 0.991 788 S CB -0.523 62.651 63.200 -0.043 0.000 0.823 788 S HN 0.649 nan 8.310 nan 0.000 0.469 789 A N 1.536 124.420 122.820 0.107 0.000 1.883 789 A HA -0.037 4.276 4.320 -0.012 0.000 0.217 789 A C 2.107 179.808 177.584 0.195 0.000 1.186 789 A CA 1.181 53.299 52.037 0.135 0.000 0.624 789 A CB -0.793 18.274 19.000 0.113 0.000 0.822 789 A HN 0.457 nan 8.150 nan 0.000 0.444 790 L N -2.049 119.349 121.223 0.292 0.000 2.083 790 L HA -0.177 4.156 4.340 -0.012 0.000 0.209 790 L C 2.499 179.648 176.870 0.464 0.000 1.083 790 L CA 1.943 57.033 54.840 0.416 0.000 0.752 790 L CB -0.428 41.993 42.059 0.604 0.000 0.899 790 L HN 0.614 nan 8.230 nan 0.000 0.433 791 Y N 0.918 121.356 120.300 0.230 0.000 2.352 791 Y HA -0.250 4.294 4.550 -0.010 0.000 0.292 791 Y C 2.407 178.253 175.900 -0.090 0.000 1.136 791 Y CA 1.524 59.521 58.100 -0.171 0.000 1.227 791 Y CB -0.045 38.095 38.460 -0.533 0.000 0.991 791 Y HN 0.063 nan 8.280 nan 0.000 0.545 792 K N -0.086 120.359 120.400 0.075 0.000 2.360 792 K HA -0.156 4.157 4.320 -0.012 0.000 0.201 792 K C 0.355 176.938 176.600 -0.029 0.000 1.046 792 K CA 0.892 57.200 56.287 0.035 0.000 0.945 792 K CB -0.124 32.435 32.500 0.098 0.000 0.750 792 K HN 0.053 nan 8.250 nan 0.000 0.464 793 N N 0.278 118.977 118.700 -0.002 0.000 2.898 793 N HA 0.140 4.873 4.740 -0.012 0.000 0.245 793 N C -2.438 173.074 175.510 0.003 0.000 1.185 793 N CA -2.261 50.794 53.050 0.009 0.000 0.879 793 N CB 1.167 39.691 38.487 0.062 0.000 1.157 793 N HN -0.198 nan 8.380 nan 0.000 0.503 794 P HA -0.159 nan 4.420 nan 0.000 0.216 794 P C 1.376 178.689 177.300 0.022 0.000 1.153 794 P CA 1.086 64.116 63.100 -0.116 0.000 0.858 794 P CB 0.427 32.031 31.700 -0.160 0.000 0.789 795 R N -0.034 120.478 120.500 0.020 0.000 2.081 795 R HA -0.135 4.198 4.340 -0.012 0.000 0.235 795 R C 1.949 178.290 176.300 0.070 0.000 1.131 795 R CA 1.317 57.439 56.100 0.038 0.000 0.960 795 R CB -0.296 30.017 30.300 0.022 0.000 0.856 795 R HN 0.080 nan 8.270 nan 0.000 0.436 796 E N -0.207 120.045 120.200 0.086 0.000 2.216 796 E HA -0.196 4.147 4.350 -0.012 0.000 0.192 796 E C 1.557 178.234 176.600 0.128 0.000 0.988 796 E CA 0.470 56.923 56.400 0.090 0.000 0.834 796 E CB -0.323 29.427 29.700 0.083 0.000 0.772 796 E HN 0.504 nan 8.360 nan 0.000 0.479 797 W N 2.159 123.461 121.300 0.003 0.000 2.355 797 W HA -0.181 4.471 4.660 -0.013 0.000 0.309 797 W C 1.558 178.088 176.519 0.018 0.000 1.206 797 W CA 2.046 59.408 57.345 0.030 0.000 1.284 797 W CB -0.358 29.095 29.460 -0.012 0.000 1.145 797 W HN 0.020 nan 8.180 nan 0.000 0.502 798 T N 1.102 115.789 114.554 0.222 0.000 2.821 798 T HA -0.148 4.195 4.350 -0.012 0.000 0.267 798 T C 1.847 176.557 174.700 0.018 0.000 1.046 798 T CA 1.611 63.778 62.100 0.112 0.000 1.139 798 T CB -0.274 68.644 68.868 0.085 0.000 0.871 798 T HN 0.166 nan 8.240 nan 0.000 0.454 799 R N 0.496 121.011 120.500 0.025 0.000 2.096 799 R HA 0.094 4.427 4.340 -0.012 0.000 0.235 799 R C 2.501 178.790 176.300 -0.018 0.000 1.127 799 R CA 1.160 57.273 56.100 0.021 0.000 0.968 799 R CB -0.340 29.979 30.300 0.032 0.000 0.861 799 R HN 0.363 nan 8.270 nan 0.000 0.440 800 M N 0.539 120.091 119.600 -0.080 0.000 2.175 800 M HA -0.142 4.331 4.480 -0.012 0.000 0.264 800 M C 1.952 178.157 176.300 -0.158 0.000 1.063 800 M CA 1.400 56.614 55.300 -0.144 0.000 1.119 800 M CB 0.143 32.599 32.600 -0.240 0.000 1.377 800 M HN -0.016 nan 8.290 nan 0.000 0.415 801 V N 1.017 120.815 119.914 -0.194 0.000 2.287 801 V HA -0.329 3.784 4.120 -0.012 0.000 0.248 801 V C 2.220 178.296 176.094 -0.031 0.000 1.053 801 V CA 2.149 64.372 62.300 -0.128 0.000 1.027 801 V CB -0.655 31.117 31.823 -0.085 0.000 0.646 801 V HN 0.513 nan 8.190 nan 0.000 0.447 802 I N -0.686 119.887 120.570 0.004 0.000 2.264 802 I HA -0.258 3.905 4.170 -0.012 0.000 0.248 802 I C 2.696 178.862 176.117 0.081 0.000 1.111 802 I CA 1.586 62.936 61.300 0.083 0.000 1.382 802 I CB -0.412 37.689 38.000 0.168 0.000 1.060 802 I HN 0.197 nan 8.210 nan 0.000 0.418 803 R N 0.380 120.905 120.500 0.042 0.000 2.148 803 R HA -0.106 4.227 4.340 -0.012 0.000 0.227 803 R C 2.016 178.345 176.300 0.048 0.000 1.103 803 R CA 1.116 57.239 56.100 0.037 0.000 0.983 803 R CB -0.393 29.913 30.300 0.010 0.000 0.874 803 R HN 0.544 nan 8.270 nan 0.000 0.451 804 N N 0.619 119.342 118.700 0.038 0.000 2.109 804 N HA -0.089 4.644 4.740 -0.012 0.000 0.188 804 N C 1.967 177.533 175.510 0.093 0.000 1.034 804 N CA 1.093 54.187 53.050 0.073 0.000 0.846 804 N CB -0.056 38.450 38.487 0.032 0.000 1.010 804 N HN 0.105 nan 8.380 nan 0.000 0.425 805 I N 1.688 122.302 120.570 0.073 0.000 2.194 805 I HA -0.262 3.901 4.170 -0.012 0.000 0.246 805 I C 2.477 178.642 176.117 0.079 0.000 1.093 805 I CA 0.999 62.347 61.300 0.079 0.000 1.355 805 I CB -0.328 37.712 38.000 0.067 0.000 1.046 805 I HN 0.112 nan 8.210 nan 0.000 0.413 806 A N 0.289 123.155 122.820 0.077 0.000 2.019 806 A HA -0.169 4.144 4.320 -0.012 0.000 0.219 806 A C 2.126 179.746 177.584 0.059 0.000 1.164 806 A CA 2.092 54.166 52.037 0.061 0.000 0.644 806 A CB -0.874 18.166 19.000 0.066 0.000 0.805 806 A HN 0.540 nan 8.150 nan 0.000 0.449 807 T N -2.816 111.787 114.554 0.083 0.000 3.134 807 T HA 0.174 4.517 4.350 -0.012 0.000 0.260 807 T C 1.212 176.005 174.700 0.155 0.000 1.027 807 T CA 0.662 62.816 62.100 0.089 0.000 0.913 807 T CB -0.149 68.771 68.868 0.086 0.000 1.046 807 T HN 0.497 nan 8.240 nan 0.000 0.553 808 S N 0.248 116.055 115.700 0.179 0.000 2.562 808 S HA 0.227 4.690 4.470 -0.012 0.000 0.221 808 S C 2.215 176.951 174.600 0.227 0.000 0.975 808 S CA 0.307 58.690 58.200 0.305 0.000 0.918 808 S CB -0.690 62.656 63.200 0.243 0.000 0.772 808 S HN 0.525 nan 8.310 nan 0.000 0.531 809 G N 2.488 111.336 108.800 0.081 0.000 2.469 809 G HA2 -0.268 3.685 3.960 -0.012 0.000 0.220 809 G HA3 -0.268 3.685 3.960 -0.012 0.000 0.220 809 G C 1.332 176.181 174.900 -0.085 0.000 1.136 809 G CA 0.972 46.085 45.100 0.021 0.000 0.759 809 G HN 0.603 nan 8.290 nan 0.000 0.562 810 K N -0.170 120.052 120.400 -0.296 0.000 2.211 810 K HA -0.039 4.274 4.320 -0.012 0.000 0.204 810 K C 1.117 177.399 176.600 -0.530 0.000 1.047 810 K CA 0.761 56.727 56.287 -0.536 0.000 0.935 810 K CB -0.251 31.720 32.500 -0.883 0.000 0.728 810 K HN 0.427 nan 8.250 nan 0.000 0.452 811 F N 0.730 120.710 119.950 0.049 0.000 2.645 811 F HA 0.142 4.661 4.527 -0.012 0.000 0.300 811 F C 0.696 176.541 175.800 0.075 0.000 1.115 811 F CA -0.671 57.365 58.000 0.060 0.000 1.355 811 F CB 0.524 39.556 39.000 0.053 0.000 1.026 811 F HN -0.125 nan 8.300 nan 0.000 0.536 812 S N 0.327 116.116 115.700 0.148 0.000 2.523 812 S HA 0.089 4.552 4.470 -0.012 0.000 0.275 812 S C 1.397 176.078 174.600 0.134 0.000 1.281 812 S CA -0.269 58.011 58.200 0.133 0.000 1.050 812 S CB 0.890 64.138 63.200 0.080 0.000 0.937 812 S HN 0.335 nan 8.310 nan 0.000 0.492 813 S N 3.265 119.069 115.700 0.172 0.000 2.547 813 S HA -0.074 4.389 4.470 -0.012 0.000 0.235 813 S C 0.912 175.561 174.600 0.082 0.000 0.980 813 S CA 0.658 58.977 58.200 0.198 0.000 0.941 813 S CB -0.363 63.032 63.200 0.325 0.000 0.763 813 S HN 0.788 nan 8.310 nan 0.000 0.532 814 D N 1.971 122.406 120.400 0.059 0.000 2.117 814 D HA -0.083 4.550 4.640 -0.012 0.000 0.197 814 D C 2.098 178.402 176.300 0.006 0.000 0.987 814 D CA 0.815 54.828 54.000 0.022 0.000 0.829 814 D CB -0.313 40.498 40.800 0.018 0.000 0.961 814 D HN 0.291 nan 8.370 nan 0.000 0.460 815 R N 0.726 121.232 120.500 0.011 0.000 2.062 815 R HA -0.088 4.245 4.340 -0.012 0.000 0.231 815 R C 1.932 178.226 176.300 -0.010 0.000 1.136 815 R CA 1.485 57.578 56.100 -0.011 0.000 0.948 815 R CB -0.814 29.467 30.300 -0.032 0.000 0.845 815 R HN 0.131 nan 8.270 nan 0.000 0.430 816 T N 2.221 116.793 114.554 0.029 0.000 2.665 816 T HA -0.158 4.185 4.350 -0.012 0.000 0.268 816 T C 1.919 176.629 174.700 0.018 0.000 1.035 816 T CA 1.526 63.666 62.100 0.067 0.000 1.151 816 T CB -0.142 68.842 68.868 0.193 0.000 0.862 816 T HN 0.120 nan 8.240 nan 0.000 0.438 817 I N 1.510 122.011 120.570 -0.115 0.000 2.353 817 I HA -0.034 4.129 4.170 -0.012 0.000 0.248 817 I C 2.928 179.003 176.117 -0.070 0.000 1.119 817 I CA 0.844 62.035 61.300 -0.182 0.000 1.417 817 I CB -1.632 36.252 38.000 -0.193 0.000 1.078 817 I HN 0.203 nan 8.210 nan 0.000 0.421 818 A N 0.276 123.073 122.820 -0.039 0.000 1.940 818 A HA -0.240 4.073 4.320 -0.012 0.000 0.219 818 A C 2.249 179.794 177.584 -0.066 0.000 1.176 818 A CA 1.475 53.496 52.037 -0.027 0.000 0.631 818 A CB -0.542 18.448 19.000 -0.017 0.000 0.814 818 A HN 0.508 nan 8.150 nan 0.000 0.446 819 Q N -1.767 117.976 119.800 -0.095 0.000 2.046 819 Q HA -0.172 4.161 4.340 -0.012 0.000 0.200 819 Q C 1.969 177.801 176.000 -0.281 0.000 0.975 819 Q CA 1.674 57.381 55.803 -0.160 0.000 0.836 819 Q CB -0.362 28.276 28.738 -0.167 0.000 0.896 819 Q HN 0.798 nan 8.270 nan 0.000 0.428 820 Y N 0.789 120.808 120.300 -0.468 0.000 2.069 820 Y HA -0.344 4.199 4.550 -0.012 0.000 0.278 820 Y C 2.531 177.868 175.900 -0.938 0.000 1.175 820 Y CA 1.461 59.023 58.100 -0.897 0.000 1.134 820 Y CB -0.581 37.049 38.460 -1.384 0.000 0.965 820 Y HN 0.181 nan 8.280 nan 0.000 0.498 821 A N 0.120 122.717 122.820 -0.372 0.000 1.883 821 A HA -0.246 4.067 4.320 -0.012 0.000 0.217 821 A C 2.240 179.841 177.584 0.027 0.000 1.186 821 A CA 2.205 54.271 52.037 0.049 0.000 0.624 821 A CB -0.582 18.519 19.000 0.169 0.000 0.822 821 A HN 0.464 nan 8.150 nan 0.000 0.444 822 R N -0.920 119.553 120.500 -0.045 0.000 2.100 822 R HA 0.004 4.337 4.340 -0.012 0.000 0.220 822 R C 1.750 178.026 176.300 -0.040 0.000 1.091 822 R CA 1.394 57.480 56.100 -0.022 0.000 0.986 822 R CB -0.125 30.158 30.300 -0.029 0.000 0.888 822 R HN 0.650 nan 8.270 nan 0.000 0.444 823 E N -0.535 119.601 120.200 -0.108 0.000 2.460 823 E HA 0.110 4.453 4.350 -0.012 0.000 0.200 823 E C 1.317 177.867 176.600 -0.083 0.000 1.011 823 E CA 0.347 56.690 56.400 -0.096 0.000 0.912 823 E CB 0.595 30.214 29.700 -0.136 0.000 0.953 823 E HN 0.275 nan 8.360 nan 0.000 0.494 824 I N -1.100 119.384 120.570 -0.143 0.000 3.739 824 I HA 0.025 4.188 4.170 -0.012 0.000 0.272 824 I C 1.324 177.573 176.117 0.219 0.000 1.167 824 I CA -0.070 61.204 61.300 -0.044 0.000 1.386 824 I CB 0.223 38.044 38.000 -0.297 0.000 1.490 824 I HN 0.112 nan 8.210 nan 0.000 0.452 825 W N 1.514 122.908 121.300 0.158 0.000 2.576 825 W HA 0.312 4.965 4.660 -0.012 0.000 0.270 825 W C 1.446 178.002 176.519 0.062 0.000 1.255 825 W CA 0.898 58.318 57.345 0.125 0.000 1.314 825 W CB -1.096 28.425 29.460 0.102 0.000 1.101 825 W HN 0.321 nan 8.180 nan 0.000 0.595 826 G N 1.128 110.066 108.800 0.230 0.000 2.289 826 G HA2 -0.088 3.865 3.960 -0.012 0.000 0.280 826 G HA3 -0.088 3.865 3.960 -0.012 0.000 0.280 826 G C -0.396 174.576 174.900 0.119 0.000 1.089 826 G CA 0.164 45.340 45.100 0.127 0.000 0.939 826 G HN 0.368 nan 8.290 nan 0.000 0.499 827 V N -4.027 115.977 119.914 0.149 0.000 2.876 827 V HA 0.893 5.006 4.120 -0.012 0.000 0.312 827 V C -0.352 175.801 176.094 0.097 0.000 1.085 827 V CA -1.723 60.647 62.300 0.116 0.000 0.945 827 V CB 2.322 34.224 31.823 0.132 0.000 1.017 827 V HN 0.150 nan 8.190 nan 0.000 0.428 828 E N 3.744 123.985 120.200 0.068 0.000 2.146 828 E HA 0.486 4.829 4.350 -0.012 0.000 0.282 828 E C -2.490 174.145 176.600 0.059 0.000 0.989 828 E CA -1.702 54.731 56.400 0.055 0.000 0.799 828 E CB 1.762 31.487 29.700 0.041 0.000 1.088 828 E HN 0.714 nan 8.360 nan 0.000 0.397 829 P HA 0.050 nan 4.420 nan 0.000 0.269 829 P C -0.433 176.895 177.300 0.046 0.000 1.215 829 P CA -0.229 62.904 63.100 0.055 0.000 0.780 829 P CB 0.845 32.573 31.700 0.047 0.000 0.898 830 S N 0.870 116.599 115.700 0.048 0.000 2.571 830 S HA 0.325 4.788 4.470 -0.012 0.000 0.284 830 S C 0.472 175.095 174.600 0.037 0.000 1.128 830 S CA -0.730 57.496 58.200 0.044 0.000 0.970 830 S CB 0.892 64.126 63.200 0.055 0.000 1.039 830 S HN 0.265 nan 8.310 nan 0.000 0.485 831 R N 2.400 122.918 120.500 0.030 0.000 2.359 831 R HA 0.191 4.524 4.340 -0.012 0.000 0.231 831 R C -0.106 176.203 176.300 0.015 0.000 0.913 831 R CA 0.071 56.187 56.100 0.026 0.000 1.075 831 R CB 0.140 30.456 30.300 0.027 0.000 1.087 831 R HN 0.686 nan 8.270 nan 0.000 0.515 832 Q N 0.965 120.773 119.800 0.014 0.000 2.332 832 Q HA 0.123 4.456 4.340 -0.012 0.000 0.263 832 Q C -0.259 175.730 176.000 -0.019 0.000 0.979 832 Q CA -0.009 55.795 55.803 0.001 0.000 0.885 832 Q CB 0.940 29.683 28.738 0.010 0.000 1.218 832 Q HN -0.205 nan 8.270 nan 0.000 0.405 833 R N 1.461 121.943 120.500 -0.031 0.000 2.679 833 R HA 0.148 4.481 4.340 -0.012 0.000 0.268 833 R C -0.451 175.803 176.300 -0.076 0.000 1.044 833 R CA 0.196 56.264 56.100 -0.053 0.000 1.105 833 R CB 0.303 30.573 30.300 -0.050 0.000 0.989 833 R HN 0.496 nan 8.270 nan 0.000 0.447 834 L N 5.228 126.386 121.223 -0.109 0.000 2.375 834 L HA 0.407 4.740 4.340 -0.012 0.000 0.271 834 L C -1.709 175.104 176.870 -0.094 0.000 1.107 834 L CA -2.184 52.566 54.840 -0.149 0.000 0.806 834 L CB 1.159 43.087 42.059 -0.219 0.000 1.146 834 L HN 0.475 nan 8.230 nan 0.000 0.447 835 P HA 0.024 nan 4.420 nan 0.000 0.265 835 P C -0.561 176.714 177.300 -0.041 0.000 1.193 835 P CA -0.141 62.931 63.100 -0.046 0.000 0.765 835 P CB 0.669 32.351 31.700 -0.030 0.000 0.823 836 A N 0.000 122.802 122.820 -0.029 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 18.991 19.000 -0.015 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486