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 1p2g_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 XXLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP 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 EASGTGNMKF 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 0.000 175.986 176.000 -0.024 0.000 1.003 12 Q CA 0.000 55.776 55.803 -0.045 0.000 1.022 12 Q CB 0.000 28.706 28.738 -0.054 0.000 1.108 13 I N -0.365 120.197 120.570 -0.014 0.000 2.493 13 I HA 0.566 4.731 4.170 -0.008 0.000 0.298 13 I C 0.953 177.073 176.117 0.005 0.000 0.998 13 I CA -0.266 61.033 61.300 -0.000 0.000 1.137 13 I CB 2.019 40.024 38.000 0.008 0.000 1.310 13 I HN 0.237 nan 8.210 nan 0.000 0.445 14 S N 4.009 119.716 115.700 0.012 0.000 2.377 14 S HA -0.206 4.259 4.470 -0.008 0.000 0.224 14 S C 1.803 176.416 174.600 0.022 0.000 1.042 14 S CA 2.512 60.722 58.200 0.016 0.000 1.086 14 S CB -0.636 62.578 63.200 0.024 0.000 0.995 14 S HN 0.914 nan 8.310 nan 0.000 0.428 15 V N -0.009 119.926 119.914 0.036 0.000 3.284 15 V HA 0.101 4.216 4.120 -0.008 0.000 0.273 15 V C 1.912 178.025 176.094 0.032 0.000 1.178 15 V CA 1.995 64.320 62.300 0.042 0.000 1.177 15 V CB -1.150 30.708 31.823 0.058 0.000 0.793 15 V HN 0.410 nan 8.190 nan 0.000 0.536 16 R N 0.987 121.497 120.500 0.017 0.000 2.426 16 R HA 0.466 4.801 4.340 -0.008 0.000 0.263 16 R C 0.913 177.209 176.300 -0.006 0.000 0.961 16 R CA 0.737 56.842 56.100 0.007 0.000 1.086 16 R CB -0.242 30.059 30.300 0.001 0.000 1.186 16 R HN 0.873 nan 8.270 nan 0.000 0.537 17 G N -0.008 108.786 108.800 -0.010 0.000 2.746 17 G HA2 -0.219 3.736 3.960 -0.008 0.000 0.685 17 G HA3 -0.219 3.736 3.960 -0.008 0.000 0.685 17 G C -1.250 173.636 174.900 -0.024 0.000 1.350 17 G CA -0.835 44.250 45.100 -0.025 0.000 0.837 17 G HN 0.090 nan 8.290 nan 0.000 0.564 18 L N 0.862 122.067 121.223 -0.029 0.000 2.357 18 L HA 0.730 5.065 4.340 -0.008 0.000 0.273 18 L C 1.698 178.553 176.870 -0.025 0.000 1.080 18 L CA 0.587 55.413 54.840 -0.024 0.000 0.803 18 L CB 0.810 42.855 42.059 -0.023 0.000 1.174 18 L HN 1.234 nan 8.230 nan 0.000 0.443 19 A N 2.094 124.902 122.820 -0.020 0.000 1.909 19 A HA 0.577 4.892 4.320 -0.008 0.000 0.215 19 A C 0.873 178.449 177.584 -0.014 0.000 1.392 19 A CA 0.710 52.737 52.037 -0.017 0.000 0.599 19 A CB -1.129 17.864 19.000 -0.012 0.000 1.029 19 A HN 1.261 nan 8.150 nan 0.000 0.480 20 G N -2.388 106.408 108.800 -0.008 0.000 3.338 20 G HA2 0.115 4.070 3.960 -0.008 0.000 0.686 20 G HA3 0.115 4.070 3.960 -0.008 0.000 0.686 20 G C 0.240 175.141 174.900 0.002 0.000 1.053 20 G CA -0.215 44.883 45.100 -0.004 0.000 0.852 20 G HN 1.042 nan 8.290 nan 0.000 0.545 21 V N 2.746 122.663 119.914 0.005 0.000 2.219 21 V HA -0.247 3.868 4.120 -0.008 0.000 0.248 21 V C 2.677 178.779 176.094 0.013 0.000 1.053 21 V CA 2.998 65.304 62.300 0.009 0.000 1.009 21 V CB -0.832 30.996 31.823 0.008 0.000 0.636 21 V HN 0.884 nan 8.190 nan 0.000 0.445 22 E N 0.139 120.347 120.200 0.013 0.000 2.038 22 E HA -0.295 4.050 4.350 -0.008 0.000 0.195 22 E C 2.160 178.775 176.600 0.025 0.000 1.000 22 E CA 1.711 58.122 56.400 0.019 0.000 0.803 22 E CB -0.362 29.348 29.700 0.017 0.000 0.750 22 E HN 0.611 nan 8.360 nan 0.000 0.448 23 N N 0.289 119.000 118.700 0.017 0.000 2.037 23 N HA -0.190 4.545 4.740 -0.008 0.000 0.196 23 N C 1.758 177.282 175.510 0.024 0.000 1.034 23 N CA 1.573 54.632 53.050 0.015 0.000 0.861 23 N CB -0.115 38.366 38.487 -0.009 0.000 1.039 23 N HN -0.056 nan 8.380 nan 0.000 0.427 24 V N -0.157 119.767 119.914 0.018 0.000 2.343 24 V HA -0.219 3.896 4.120 -0.008 0.000 0.247 24 V C 2.344 178.459 176.094 0.035 0.000 1.051 24 V CA 2.143 64.457 62.300 0.023 0.000 1.036 24 V CB -1.196 30.638 31.823 0.017 0.000 0.654 24 V HN 0.691 nan 8.190 nan 0.000 0.451 25 T N -2.018 112.556 114.554 0.034 0.000 3.035 25 T HA -0.137 4.208 4.350 -0.008 0.000 0.268 25 T C 1.625 176.358 174.700 0.056 0.000 1.109 25 T CA 1.400 63.522 62.100 0.037 0.000 1.119 25 T CB -0.069 68.817 68.868 0.028 0.000 0.900 25 T HN 0.450 nan 8.240 nan 0.000 0.503 26 E N 1.207 121.447 120.200 0.067 0.000 2.122 26 E HA 0.138 4.483 4.350 -0.008 0.000 0.190 26 E C 1.973 178.652 176.600 0.132 0.000 0.977 26 E CA 0.628 57.083 56.400 0.091 0.000 0.820 26 E CB -0.566 29.194 29.700 0.099 0.000 0.770 26 E HN 0.562 nan 8.360 nan 0.000 0.462 27 L N 0.298 121.603 121.223 0.136 0.000 2.027 27 L HA -0.122 4.213 4.340 -0.008 0.000 0.206 27 L C 2.427 179.413 176.870 0.193 0.000 1.074 27 L CA 1.393 56.344 54.840 0.186 0.000 0.745 27 L CB -0.376 41.764 42.059 0.136 0.000 0.898 27 L HN 0.053 nan 8.230 nan 0.000 0.433 28 K N 0.691 121.163 120.400 0.121 0.000 2.063 28 K HA -0.211 4.104 4.320 -0.008 0.000 0.208 28 K C 2.135 178.839 176.600 0.172 0.000 1.048 28 K CA 1.810 58.161 56.287 0.106 0.000 0.928 28 K CB -0.146 32.374 32.500 0.032 0.000 0.713 28 K HN 0.398 nan 8.250 nan 0.000 0.442 29 K N 0.438 120.916 120.400 0.131 0.000 2.097 29 K HA -0.079 4.236 4.320 -0.008 0.000 0.205 29 K C 1.657 178.340 176.600 0.139 0.000 1.050 29 K CA 1.358 57.716 56.287 0.118 0.000 0.938 29 K CB -0.205 32.340 32.500 0.075 0.000 0.718 29 K HN 0.023 nan 8.250 nan 0.000 0.442 30 N N 0.567 119.358 118.700 0.152 0.000 2.188 30 N HA -0.122 4.613 4.740 -0.008 0.000 0.184 30 N C 1.645 177.282 175.510 0.212 0.000 1.018 30 N CA 1.008 54.132 53.050 0.122 0.000 0.858 30 N CB -0.273 38.298 38.487 0.141 0.000 0.989 30 N HN 0.216 nan 8.380 nan 0.000 0.426 31 F N 2.562 122.604 119.950 0.153 0.000 2.126 31 F HA -0.121 4.401 4.527 -0.008 0.000 0.299 31 F C 2.008 177.911 175.800 0.171 0.000 1.096 31 F CA 1.306 59.419 58.000 0.188 0.000 1.255 31 F CB -0.139 38.950 39.000 0.147 0.000 0.997 31 F HN -0.007 nan 8.300 nan 0.000 0.479 32 N N 0.363 119.282 118.700 0.365 0.000 2.244 32 N HA -0.117 4.618 4.740 -0.008 0.000 0.183 32 N C 1.999 177.589 175.510 0.133 0.000 1.016 32 N CA 0.881 54.071 53.050 0.232 0.000 0.866 32 N CB -0.384 38.221 38.487 0.196 0.000 0.980 32 N HN 0.385 nan 8.380 nan 0.000 0.430 33 R N 0.310 120.882 120.500 0.120 0.000 2.080 33 R HA -0.094 4.241 4.340 -0.008 0.000 0.236 33 R C 1.928 178.323 176.300 0.157 0.000 1.137 33 R CA 1.391 57.595 56.100 0.174 0.000 0.943 33 R CB -0.427 29.869 30.300 -0.006 0.000 0.846 33 R HN 0.468 nan 8.270 nan 0.000 0.431 34 H N -0.211 118.897 119.070 0.063 0.000 2.387 34 H HA -0.136 4.415 4.556 -0.008 0.000 0.299 34 H C 1.962 177.212 175.328 -0.130 0.000 1.090 34 H CA 1.313 57.324 56.048 -0.062 0.000 1.332 34 H CB 0.049 29.728 29.762 -0.138 0.000 1.386 34 H HN 0.060 nan 8.280 nan 0.000 0.516 35 L N -0.039 121.157 121.223 -0.044 0.000 2.083 35 L HA -0.175 4.160 4.340 -0.008 0.000 0.209 35 L C 2.203 179.040 176.870 -0.055 0.000 1.083 35 L CA 1.821 56.601 54.840 -0.101 0.000 0.752 35 L CB -0.420 41.586 42.059 -0.089 0.000 0.899 35 L HN 0.285 nan 8.230 nan 0.000 0.433 36 H N -1.714 117.266 119.070 -0.150 0.000 2.294 36 H HA -0.049 4.502 4.556 -0.008 0.000 0.306 36 H C 1.746 176.836 175.328 -0.397 0.000 1.065 36 H CA 2.260 58.117 56.048 -0.318 0.000 1.343 36 H CB -0.214 29.263 29.762 -0.476 0.000 1.396 36 H HN 0.307 nan 8.280 nan 0.000 0.506 37 F N -0.610 119.302 119.950 -0.064 0.000 2.270 37 F HA 0.019 4.541 4.527 -0.008 0.000 0.295 37 F C 2.587 178.304 175.800 -0.138 0.000 1.087 37 F CA 1.324 59.245 58.000 -0.132 0.000 1.365 37 F CB -0.393 38.572 39.000 -0.058 0.000 1.056 37 F HN 0.142 nan 8.300 nan 0.000 0.506 38 T N -0.090 114.492 114.554 0.047 0.000 2.894 38 T HA 0.047 4.392 4.350 -0.008 0.000 0.258 38 T C 1.937 176.532 174.700 -0.176 0.000 1.043 38 T CA 0.909 62.954 62.100 -0.092 0.000 1.141 38 T CB -0.286 68.474 68.868 -0.180 0.000 0.873 38 T HN 0.101 nan 8.240 nan 0.000 0.449 39 L N 0.993 122.115 121.223 -0.167 0.000 2.529 39 L HA 0.217 4.552 4.340 -0.008 0.000 0.223 39 L C 0.186 176.959 176.870 -0.161 0.000 1.113 39 L CA -0.092 54.644 54.840 -0.173 0.000 0.861 39 L CB 0.176 42.142 42.059 -0.155 0.000 1.012 39 L HN -0.041 nan 8.230 nan 0.000 0.461 40 V N 0.790 120.592 119.914 -0.186 0.000 6.125 40 V HA -0.311 3.804 4.120 -0.008 0.000 0.281 40 V C -0.054 175.929 176.094 -0.185 0.000 0.591 40 V CA 1.092 63.256 62.300 -0.227 0.000 0.617 40 V CB -2.268 29.448 31.823 -0.178 0.000 0.336 40 V HN 0.503 nan 8.190 nan 0.000 0.650 41 K N 0.316 120.616 120.400 -0.168 0.000 2.533 41 K HA 0.659 4.974 4.320 -0.008 0.000 0.284 41 K C -0.930 175.643 176.600 -0.044 0.000 1.025 41 K CA -0.513 55.710 56.287 -0.106 0.000 0.900 41 K CB 2.500 34.932 32.500 -0.113 0.000 1.519 41 K HN 0.503 nan 8.250 nan 0.000 0.432 42 D N -0.912 119.478 120.400 -0.017 0.000 2.477 42 D HA 0.319 4.954 4.640 -0.008 0.000 0.234 42 D C 0.567 176.895 176.300 0.046 0.000 1.048 42 D CA -0.788 53.232 54.000 0.034 0.000 0.959 42 D CB 1.083 41.904 40.800 0.033 0.000 1.408 42 D HN 0.158 nan 8.370 nan 0.000 0.496 43 R N 0.608 121.170 120.500 0.105 0.000 2.211 43 R HA -0.109 4.226 4.340 -0.008 0.000 0.240 43 R C 0.461 176.837 176.300 0.128 0.000 1.144 43 R CA 0.898 57.104 56.100 0.176 0.000 0.992 43 R CB -1.011 29.398 30.300 0.181 0.000 0.869 43 R HN 0.560 nan 8.270 nan 0.000 0.462 44 N N -0.430 118.311 118.700 0.068 0.000 2.412 44 N HA -0.056 4.680 4.740 -0.008 0.000 0.184 44 N C 1.218 176.744 175.510 0.027 0.000 1.101 44 N CA 0.594 53.673 53.050 0.049 0.000 0.881 44 N CB 0.561 39.067 38.487 0.032 0.000 0.969 44 N HN 0.162 nan 8.380 nan 0.000 0.459 45 V N -4.523 115.394 119.914 0.005 0.000 3.411 45 V HA 0.536 4.651 4.120 -0.008 0.000 0.287 45 V C 0.624 176.680 176.094 -0.062 0.000 1.543 45 V CA -0.574 61.714 62.300 -0.020 0.000 1.028 45 V CB -0.431 31.376 31.823 -0.027 0.000 0.840 45 V HN 0.021 nan 8.190 nan 0.000 0.435 46 A N 2.599 125.355 122.820 -0.108 0.000 2.520 46 A HA 0.528 4.843 4.320 -0.008 0.000 0.245 46 A C 0.781 178.196 177.584 -0.281 0.000 1.072 46 A CA 0.956 52.817 52.037 -0.294 0.000 0.761 46 A CB -0.290 18.363 19.000 -0.579 0.000 1.004 46 A HN 0.901 nan 8.150 nan 0.000 0.499 47 T N 0.599 115.003 114.554 -0.249 0.000 2.927 47 T HA 0.531 4.876 4.350 -0.008 0.000 0.281 47 T C -2.065 172.576 174.700 -0.098 0.000 0.998 47 T CA -1.757 60.278 62.100 -0.109 0.000 1.019 47 T CB 1.234 70.069 68.868 -0.055 0.000 1.061 47 T HN 0.272 nan 8.240 nan 0.000 0.518 48 P HA -0.085 nan 4.420 nan 0.000 0.217 48 P C 1.588 178.986 177.300 0.163 0.000 1.148 48 P CA 0.872 64.110 63.100 0.230 0.000 0.828 48 P CB 0.062 31.852 31.700 0.150 0.000 0.783 49 R N -0.070 120.464 120.500 0.057 0.000 2.092 49 R HA -0.135 4.201 4.340 -0.008 0.000 0.231 49 R C 1.571 177.986 176.300 0.192 0.000 1.119 49 R CA 1.667 57.808 56.100 0.068 0.000 0.970 49 R CB -0.642 29.652 30.300 -0.009 0.000 0.864 49 R HN 0.067 nan 8.270 nan 0.000 0.440 50 D N -0.268 120.179 120.400 0.078 0.000 2.117 50 D HA -0.182 4.453 4.640 -0.008 0.000 0.197 50 D C 1.673 177.979 176.300 0.009 0.000 0.987 50 D CA 1.291 55.303 54.000 0.020 0.000 0.829 50 D CB -0.326 40.342 40.800 -0.220 0.000 0.961 50 D HN 0.288 nan 8.370 nan 0.000 0.460 51 Y N -0.026 120.365 120.300 0.153 0.000 2.181 51 Y HA -0.210 4.336 4.550 -0.008 0.000 0.288 51 Y C 2.333 178.351 175.900 0.196 0.000 1.146 51 Y CA 0.552 58.788 58.100 0.226 0.000 1.164 51 Y CB -1.108 37.534 38.460 0.303 0.000 0.982 51 Y HN 0.088 nan 8.280 nan 0.000 0.515 52 Y N -0.545 119.864 120.300 0.181 0.000 2.165 52 Y HA -0.286 4.259 4.550 -0.008 0.000 0.286 52 Y C 1.929 177.789 175.900 -0.067 0.000 1.155 52 Y CA 1.326 59.432 58.100 0.009 0.000 1.164 52 Y CB -1.102 37.236 38.460 -0.203 0.000 0.978 52 Y HN 0.078 nan 8.280 nan 0.000 0.513 53 F N 0.003 119.780 119.950 -0.288 0.000 2.186 53 F HA -0.105 4.417 4.527 -0.008 0.000 0.299 53 F C 2.616 178.253 175.800 -0.270 0.000 1.090 53 F CA 0.880 58.645 58.000 -0.390 0.000 1.307 53 F CB -0.604 38.319 39.000 -0.128 0.000 1.019 53 F HN 0.200 nan 8.300 nan 0.000 0.489 54 A N -0.024 122.730 122.820 -0.109 0.000 1.902 54 A HA -0.185 4.130 4.320 -0.008 0.000 0.217 54 A C 2.028 179.481 177.584 -0.218 0.000 1.181 54 A CA 1.547 53.380 52.037 -0.340 0.000 0.623 54 A CB -0.973 17.467 19.000 -0.934 0.000 0.818 54 A HN 0.347 nan 8.150 nan 0.000 0.443 55 L N -0.246 120.971 121.223 -0.011 0.000 2.056 55 L HA 0.006 4.341 4.340 -0.008 0.000 0.207 55 L C 2.639 179.528 176.870 0.031 0.000 1.078 55 L CA 2.168 57.148 54.840 0.234 0.000 0.749 55 L CB -0.909 41.362 42.059 0.354 0.000 0.901 55 L HN 0.331 nan 8.230 nan 0.000 0.433 56 A N -1.237 121.440 122.820 -0.238 0.000 1.908 56 A HA -0.281 4.034 4.320 -0.008 0.000 0.218 56 A C 2.142 179.432 177.584 -0.490 0.000 1.181 56 A CA 2.028 53.819 52.037 -0.410 0.000 0.627 56 A CB -1.074 17.389 19.000 -0.894 0.000 0.818 56 A HN 0.677 nan 8.150 nan 0.000 0.445 57 H N -0.890 117.900 119.070 -0.467 0.000 2.423 57 H HA -0.035 4.516 4.556 -0.008 0.000 0.297 57 H C 2.327 177.444 175.328 -0.353 0.000 1.075 57 H CA 1.899 57.597 56.048 -0.584 0.000 1.342 57 H CB -0.121 29.004 29.762 -1.062 0.000 1.395 57 H HN 0.463 nan 8.280 nan 0.000 0.530 58 T N -0.373 114.183 114.554 0.004 0.000 2.708 58 T HA -0.133 4.212 4.350 -0.008 0.000 0.266 58 T C 2.267 177.132 174.700 0.275 0.000 1.037 58 T CA 1.381 63.637 62.100 0.260 0.000 1.146 58 T CB -0.424 68.656 68.868 0.354 0.000 0.865 58 T HN 0.090 nan 8.240 nan 0.000 0.435 59 V N 1.647 121.720 119.914 0.265 0.000 2.343 59 V HA -0.152 3.963 4.120 -0.008 0.000 0.247 59 V C 2.618 178.902 176.094 0.316 0.000 1.051 59 V CA 1.656 64.165 62.300 0.348 0.000 1.036 59 V CB -0.657 31.363 31.823 0.328 0.000 0.654 59 V HN 0.378 nan 8.190 nan 0.000 0.451 60 R N 0.207 120.829 120.500 0.204 0.000 2.105 60 R HA -0.223 4.112 4.340 -0.008 0.000 0.239 60 R C 1.933 178.313 176.300 0.133 0.000 1.135 60 R CA 2.091 58.297 56.100 0.177 0.000 0.967 60 R CB -0.404 29.830 30.300 -0.111 0.000 0.861 60 R HN 0.480 nan 8.270 nan 0.000 0.442 61 D N -0.249 120.195 120.400 0.075 0.000 2.182 61 D HA -0.154 4.481 4.640 -0.008 0.000 0.201 61 D C 1.541 177.788 176.300 -0.089 0.000 0.986 61 D CA 1.061 55.057 54.000 -0.006 0.000 0.847 61 D CB -0.296 40.473 40.800 -0.052 0.000 0.942 61 D HN 0.448 nan 8.370 nan 0.000 0.467 62 H N -0.406 118.732 119.070 0.113 0.000 2.555 62 H HA 0.102 4.653 4.556 -0.008 0.000 0.269 62 H C 2.079 177.450 175.328 0.072 0.000 0.988 62 H CA 0.269 56.367 56.048 0.082 0.000 1.178 62 H CB 0.491 30.294 29.762 0.069 0.000 1.373 62 H HN 0.212 nan 8.280 nan 0.000 0.588 63 L N 0.271 121.594 121.223 0.167 0.000 2.168 63 L HA -0.089 4.246 4.340 -0.008 0.000 0.203 63 L C 2.716 179.696 176.870 0.184 0.000 1.078 63 L CA 0.434 55.350 54.840 0.128 0.000 0.780 63 L CB -0.168 41.942 42.059 0.085 0.000 0.939 63 L HN 0.079 nan 8.230 nan 0.000 0.451 64 V N -1.552 118.492 119.914 0.215 0.000 2.278 64 V HA -0.256 3.859 4.120 -0.008 0.000 0.251 64 V C 2.277 178.468 176.094 0.163 0.000 1.062 64 V CA 2.301 64.745 62.300 0.241 0.000 1.038 64 V CB -1.941 29.971 31.823 0.147 0.000 0.646 64 V HN 0.423 nan 8.190 nan 0.000 0.447 65 G N 0.307 109.167 108.800 0.100 0.000 2.446 65 G HA2 -0.248 3.707 3.960 -0.008 0.000 0.217 65 G HA3 -0.248 3.707 3.960 -0.008 0.000 0.217 65 G C 1.746 176.688 174.900 0.070 0.000 1.168 65 G CA 1.061 46.199 45.100 0.063 0.000 0.771 65 G HN 0.581 nan 8.290 nan 0.000 0.551 66 R N -1.479 119.073 120.500 0.087 0.000 2.092 66 R HA -0.052 4.283 4.340 -0.008 0.000 0.231 66 R C 2.274 178.651 176.300 0.128 0.000 1.119 66 R CA 1.045 57.184 56.100 0.066 0.000 0.970 66 R CB -0.366 29.956 30.300 0.036 0.000 0.864 66 R HN 0.471 nan 8.270 nan 0.000 0.440 67 W N 1.766 123.040 121.300 -0.045 0.000 2.355 67 W HA -0.075 4.581 4.660 -0.008 0.000 0.309 67 W C 1.687 178.168 176.519 -0.064 0.000 1.206 67 W CA 0.931 58.244 57.345 -0.054 0.000 1.284 67 W CB -0.530 28.912 29.460 -0.029 0.000 1.145 67 W HN -0.038 nan 8.180 nan 0.000 0.502 68 I N 0.774 121.393 120.570 0.081 0.000 2.252 68 I HA -0.308 3.857 4.170 -0.008 0.000 0.245 68 I C 2.667 178.763 176.117 -0.034 0.000 1.102 68 I CA 1.912 63.174 61.300 -0.063 0.000 1.385 68 I CB -0.613 37.349 38.000 -0.063 0.000 1.064 68 I HN -0.023 nan 8.210 nan 0.000 0.414 69 R N 0.486 120.982 120.500 -0.007 0.000 2.115 69 R HA -0.070 4.265 4.340 -0.008 0.000 0.226 69 R C 1.917 178.182 176.300 -0.060 0.000 1.100 69 R CA 1.608 57.694 56.100 -0.024 0.000 0.980 69 R CB -0.881 29.403 30.300 -0.026 0.000 0.875 69 R HN 0.119 nan 8.270 nan 0.000 0.445 70 T N 1.319 115.820 114.554 -0.088 0.000 2.737 70 T HA -0.080 4.265 4.350 -0.008 0.000 0.265 70 T C 1.716 176.153 174.700 -0.438 0.000 1.038 70 T CA 1.209 63.153 62.100 -0.261 0.000 1.144 70 T CB -0.117 68.634 68.868 -0.196 0.000 0.866 70 T HN 0.238 nan 8.240 nan 0.000 0.434 71 Q N 0.757 120.451 119.800 -0.177 0.000 2.224 71 Q HA -0.045 4.290 4.340 -0.008 0.000 0.203 71 Q C 2.273 178.286 176.000 0.022 0.000 0.970 71 Q CA 1.117 56.889 55.803 -0.051 0.000 0.865 71 Q CB -0.385 28.352 28.738 -0.001 0.000 0.922 71 Q HN 0.493 nan 8.270 nan 0.000 0.445 72 Q N -0.083 119.717 119.800 0.000 0.000 2.049 72 Q HA -0.162 4.173 4.340 -0.008 0.000 0.198 72 Q C 1.919 178.012 176.000 0.155 0.000 0.971 72 Q CA 1.735 57.585 55.803 0.079 0.000 0.833 72 Q CB -0.355 28.409 28.738 0.044 0.000 0.896 72 Q HN 0.492 nan 8.270 nan 0.000 0.434 73 H N -0.712 118.327 119.070 -0.051 0.000 2.289 73 H HA -0.197 4.354 4.556 -0.008 0.000 0.296 73 H C 1.280 176.678 175.328 0.118 0.000 1.091 73 H CA 2.405 58.437 56.048 -0.028 0.000 1.274 73 H CB -0.465 29.206 29.762 -0.153 0.000 1.364 73 H HN 0.372 nan 8.280 nan 0.000 0.490 74 Y N -1.038 119.289 120.300 0.046 0.000 2.274 74 Y HA -0.196 4.349 4.550 -0.008 0.000 0.290 74 Y C 2.515 178.451 175.900 0.060 0.000 1.145 74 Y CA 1.062 59.156 58.100 -0.010 0.000 1.203 74 Y CB -1.402 37.116 38.460 0.096 0.000 0.984 74 Y HN 0.352 nan 8.280 nan 0.000 0.533 75 Y N 1.132 121.530 120.300 0.164 0.000 2.200 75 Y HA -0.186 4.359 4.550 -0.008 0.000 0.290 75 Y C 2.030 177.962 175.900 0.052 0.000 1.137 75 Y CA 1.717 59.880 58.100 0.105 0.000 1.163 75 Y CB -0.258 38.254 38.460 0.088 0.000 0.988 75 Y HN 0.219 nan 8.280 nan 0.000 0.518 76 E N -0.258 119.962 120.200 0.033 0.000 2.016 76 E HA -0.166 4.179 4.350 -0.008 0.000 0.190 76 E C 1.982 178.518 176.600 -0.106 0.000 0.985 76 E CA 1.254 57.614 56.400 -0.067 0.000 0.802 76 E CB -0.073 29.653 29.700 0.043 0.000 0.762 76 E HN 0.261 nan 8.360 nan 0.000 0.448 77 K N 0.794 121.128 120.400 -0.111 0.000 2.217 77 K HA -0.097 4.219 4.320 -0.008 0.000 0.202 77 K C 0.271 176.818 176.600 -0.089 0.000 1.051 77 K CA 0.810 57.025 56.287 -0.120 0.000 0.952 77 K CB -0.423 31.942 32.500 -0.225 0.000 0.736 77 K HN 0.123 nan 8.250 nan 0.000 0.453 78 D N 0.696 121.055 120.400 -0.069 0.000 2.697 78 D HA -0.103 4.532 4.640 -0.008 0.000 0.238 78 D C -2.223 174.054 176.300 -0.038 0.000 1.152 78 D CA 0.111 54.084 54.000 -0.047 0.000 0.666 78 D CB -0.248 40.500 40.800 -0.087 0.000 1.037 78 D HN 0.201 nan 8.370 nan 0.000 0.423 79 P HA 0.096 nan 4.420 nan 0.000 0.277 79 P C -0.186 177.074 177.300 -0.066 0.000 1.271 79 P CA -0.598 62.463 63.100 -0.064 0.000 0.795 79 P CB 0.638 32.279 31.700 -0.098 0.000 1.101 80 K N 0.959 121.323 120.400 -0.061 0.000 2.412 80 K HA 0.084 4.399 4.320 -0.008 0.000 0.281 80 K C -0.097 176.425 176.600 -0.130 0.000 1.027 80 K CA -0.098 56.151 56.287 -0.063 0.000 0.989 80 K CB 0.247 32.727 32.500 -0.034 0.000 0.935 80 K HN 0.239 nan 8.250 nan 0.000 0.475 81 R N 3.671 124.083 120.500 -0.147 0.000 2.312 81 R HA 0.340 4.675 4.340 -0.008 0.000 0.311 81 R C -0.608 175.422 176.300 -0.450 0.000 1.004 81 R CA -0.483 55.448 56.100 -0.282 0.000 0.902 81 R CB 0.835 30.985 30.300 -0.251 0.000 1.073 81 R HN 0.502 nan 8.270 nan 0.000 0.457 82 I N 4.730 124.982 120.570 -0.530 0.000 2.321 82 I HA 0.202 4.368 4.170 -0.008 0.000 0.291 82 I C -0.633 175.168 176.117 -0.527 0.000 0.998 82 I CA -0.836 60.100 61.300 -0.607 0.000 1.227 82 I CB 0.752 38.277 38.000 -0.792 0.000 1.368 82 I HN 0.528 nan 8.210 nan 0.000 0.466 83 Y N 6.071 126.344 120.300 -0.044 0.000 2.369 83 Y HA 0.278 4.823 4.550 -0.008 0.000 0.337 83 Y C -0.257 175.751 175.900 0.181 0.000 0.961 83 Y CA -0.705 57.495 58.100 0.168 0.000 1.186 83 Y CB 1.024 39.547 38.460 0.105 0.000 1.139 83 Y HN 0.387 nan 8.280 nan 0.000 0.494 84 Y N 4.613 125.098 120.300 0.309 0.000 2.518 84 Y HA 0.462 5.007 4.550 -0.008 0.000 0.344 84 Y C -1.171 174.992 175.900 0.438 0.000 0.982 84 Y CA -0.999 57.285 58.100 0.307 0.000 1.234 84 Y CB 0.221 38.858 38.460 0.295 0.000 1.114 84 Y HN 0.507 nan 8.280 nan 0.000 0.515 85 L N 4.787 126.060 121.223 0.084 0.000 2.290 85 L HA 0.490 4.825 4.340 -0.008 0.000 0.284 85 L C -0.095 176.785 176.870 0.017 0.000 1.078 85 L CA 0.193 55.134 54.840 0.169 0.000 0.815 85 L CB 1.297 43.428 42.059 0.120 0.000 1.162 85 L HN 0.571 nan 8.230 nan 0.000 0.435 86 S N 2.406 118.195 115.700 0.149 0.000 2.537 86 S HA 0.491 4.956 4.470 -0.008 0.000 0.270 86 S C 0.024 174.701 174.600 0.127 0.000 1.142 86 S CA -0.524 57.668 58.200 -0.013 0.000 0.870 86 S CB 0.966 63.939 63.200 -0.378 0.000 1.112 86 S HN 0.447 nan 8.310 nan 0.000 0.466 87 L N 2.780 124.121 121.223 0.196 0.000 2.592 87 L HA 0.476 4.811 4.340 -0.008 0.000 0.227 87 L C 0.211 177.269 176.870 0.313 0.000 1.127 87 L CA 0.892 55.913 54.840 0.302 0.000 0.884 87 L CB -0.128 42.123 42.059 0.320 0.000 1.065 87 L HN 0.644 nan 8.230 nan 0.000 0.457 88 E N -1.216 119.035 120.200 0.086 0.000 2.308 88 E HA 0.397 4.742 4.350 -0.008 0.000 0.275 88 E C -1.373 175.088 176.600 -0.232 0.000 0.890 88 E CA -0.436 55.999 56.400 0.057 0.000 0.754 88 E CB 1.895 31.615 29.700 0.033 0.000 1.207 88 E HN -0.159 nan 8.360 nan 0.000 0.426 89 F N 2.091 122.140 119.950 0.164 0.000 2.949 89 F HA 0.163 4.685 4.527 -0.008 0.000 0.376 89 F C -0.836 175.044 175.800 0.133 0.000 1.205 89 F CA -0.729 57.360 58.000 0.147 0.000 1.155 89 F CB 0.872 39.951 39.000 0.131 0.000 1.495 89 F HN 0.496 nan 8.300 nan 0.000 0.551 90 Y N 4.841 125.215 120.300 0.123 0.000 2.570 90 Y HA 0.148 4.694 4.550 -0.008 0.000 0.336 90 Y C 1.185 177.107 175.900 0.036 0.000 1.284 90 Y CA -0.778 57.347 58.100 0.042 0.000 1.761 90 Y CB 0.194 38.662 38.460 0.015 0.000 1.724 90 Y HN 0.520 nan 8.280 nan 0.000 0.455 91 M N 1.131 120.867 119.600 0.226 0.000 2.200 91 M HA 0.083 4.558 4.480 -0.008 0.000 0.265 91 M C 1.598 177.883 176.300 -0.026 0.000 1.066 91 M CA 1.203 56.545 55.300 0.070 0.000 1.127 91 M CB -1.305 31.309 32.600 0.023 0.000 1.379 91 M HN 0.653 nan 8.290 nan 0.000 0.420 92 G N 0.884 109.680 108.800 -0.007 0.000 2.593 92 G HA2 -0.258 3.697 3.960 -0.008 0.000 0.237 92 G HA3 -0.258 3.697 3.960 -0.008 0.000 0.237 92 G C -0.374 174.487 174.900 -0.065 0.000 1.312 92 G CA -0.353 44.703 45.100 -0.073 0.000 0.896 92 G HN 0.438 nan 8.290 nan 0.000 0.574 93 R N -0.306 120.140 120.500 -0.089 0.000 2.531 93 R HA 0.558 4.893 4.340 -0.008 0.000 0.273 93 R C 1.587 177.788 176.300 -0.166 0.000 1.070 93 R CA 0.375 56.437 56.100 -0.064 0.000 1.112 93 R CB 0.868 31.142 30.300 -0.043 0.000 1.049 93 R HN 0.889 nan 8.270 nan 0.000 0.508 94 T N -0.726 113.680 114.554 -0.247 0.000 3.003 94 T HA 0.012 4.357 4.350 -0.008 0.000 0.261 94 T C 1.377 175.720 174.700 -0.595 0.000 1.003 94 T CA -0.240 61.546 62.100 -0.523 0.000 0.917 94 T CB 0.192 68.535 68.868 -0.876 0.000 1.084 94 T HN 0.336 nan 8.240 nan 0.000 0.522 95 L N 1.719 122.799 121.223 -0.238 0.000 1.994 95 L HA 0.096 4.432 4.340 -0.008 0.000 0.208 95 L C 2.612 179.460 176.870 -0.036 0.000 1.071 95 L CA 2.131 56.982 54.840 0.018 0.000 0.745 95 L CB -0.908 41.383 42.059 0.387 0.000 0.892 95 L HN 0.366 nan 8.230 nan 0.000 0.431 96 Q N -0.815 118.963 119.800 -0.038 0.000 2.119 96 Q HA -0.231 4.104 4.340 -0.008 0.000 0.201 96 Q C 2.206 178.146 176.000 -0.100 0.000 0.972 96 Q CA 1.628 57.403 55.803 -0.047 0.000 0.847 96 Q CB -0.250 28.459 28.738 -0.049 0.000 0.903 96 Q HN 0.696 nan 8.270 nan 0.000 0.433 97 N N -0.882 117.719 118.700 -0.166 0.000 2.166 97 N HA -0.138 4.597 4.740 -0.008 0.000 0.186 97 N C 1.336 176.747 175.510 -0.164 0.000 1.019 97 N CA 1.745 54.687 53.050 -0.181 0.000 0.856 97 N CB 0.102 38.446 38.487 -0.238 0.000 0.993 97 N HN 0.207 nan 8.380 nan 0.000 0.426 98 T N 1.343 115.766 114.554 -0.219 0.000 2.777 98 T HA -0.053 4.292 4.350 -0.008 0.000 0.266 98 T C 2.088 176.737 174.700 -0.086 0.000 1.040 98 T CA 1.035 63.023 62.100 -0.187 0.000 1.141 98 T CB -0.058 68.652 68.868 -0.264 0.000 0.868 98 T HN 0.257 nan 8.240 nan 0.000 0.444 99 M N 0.645 120.213 119.600 -0.053 0.000 2.086 99 M HA -0.101 4.374 4.480 -0.008 0.000 0.261 99 M C 2.511 178.790 176.300 -0.035 0.000 1.067 99 M CA 1.345 56.631 55.300 -0.023 0.000 1.116 99 M CB -0.795 31.807 32.600 0.003 0.000 1.348 99 M HN 0.095 nan 8.290 nan 0.000 0.407 100 V N 1.195 121.092 119.914 -0.028 0.000 2.252 100 V HA -0.331 3.784 4.120 -0.008 0.000 0.249 100 V C 1.731 177.841 176.094 0.027 0.000 1.056 100 V CA 2.243 64.550 62.300 0.011 0.000 1.022 100 V CB -1.033 30.800 31.823 0.016 0.000 0.641 100 V HN 0.553 nan 8.190 nan 0.000 0.445 101 N N -0.461 118.245 118.700 0.011 0.000 2.453 101 N HA -0.104 4.632 4.740 -0.008 0.000 0.183 101 N C 1.139 176.560 175.510 -0.148 0.000 1.041 101 N CA 0.578 53.614 53.050 -0.022 0.000 0.900 101 N CB 0.025 38.505 38.487 -0.012 0.000 0.961 101 N HN 0.284 nan 8.380 nan 0.000 0.443 102 L N -0.211 120.945 121.223 -0.112 0.000 2.664 102 L HA 0.319 4.654 4.340 -0.008 0.000 0.233 102 L C 0.899 177.694 176.870 -0.126 0.000 1.113 102 L CA 0.076 54.848 54.840 -0.114 0.000 0.896 102 L CB -0.212 41.807 42.059 -0.067 0.000 1.163 102 L HN 0.036 nan 8.230 nan 0.000 0.497 103 A N -0.491 122.257 122.820 -0.119 0.000 2.860 103 A HA -0.228 4.087 4.320 -0.008 0.000 0.267 103 A C 1.193 178.728 177.584 -0.081 0.000 1.421 103 A CA 1.231 53.208 52.037 -0.101 0.000 0.831 103 A CB -2.118 16.805 19.000 -0.129 0.000 1.041 103 A HN 0.309 nan 8.150 nan 0.000 0.623 104 L N -1.231 119.946 121.223 -0.076 0.000 2.640 104 L HA 0.134 4.469 4.340 -0.008 0.000 0.230 104 L C 1.913 178.759 176.870 -0.040 0.000 1.123 104 L CA 0.767 55.560 54.840 -0.079 0.000 0.900 104 L CB 0.014 42.007 42.059 -0.111 0.000 1.146 104 L HN 0.655 nan 8.230 nan 0.000 0.484 105 E N 0.962 121.146 120.200 -0.026 0.000 2.058 105 E HA -0.253 4.092 4.350 -0.008 0.000 0.194 105 E C 1.767 178.362 176.600 -0.009 0.000 0.997 105 E CA 1.619 58.013 56.400 -0.009 0.000 0.801 105 E CB 0.241 29.937 29.700 -0.007 0.000 0.746 105 E HN 0.404 nan 8.360 nan 0.000 0.450 106 N N -0.022 118.668 118.700 -0.017 0.000 2.171 106 N HA -0.085 4.651 4.740 -0.008 0.000 0.184 106 N C 1.598 177.098 175.510 -0.016 0.000 1.021 106 N CA 1.227 54.266 53.050 -0.019 0.000 0.854 106 N CB -0.467 38.007 38.487 -0.022 0.000 0.994 106 N HN 0.259 nan 8.380 nan 0.000 0.426 107 A N 0.652 123.460 122.820 -0.021 0.000 1.865 107 A HA -0.187 4.128 4.320 -0.008 0.000 0.217 107 A C 2.667 180.250 177.584 -0.002 0.000 1.191 107 A CA 1.596 53.623 52.037 -0.017 0.000 0.623 107 A CB -1.139 17.840 19.000 -0.036 0.000 0.826 107 A HN 0.451 nan 8.150 nan 0.000 0.444 108 C N -0.972 118.330 119.300 0.003 0.000 2.425 108 C HA -0.068 4.387 4.460 -0.008 0.000 0.277 108 C C 2.457 177.459 174.990 0.020 0.000 1.280 108 C CA 1.191 60.225 59.018 0.026 0.000 1.744 108 C CB -1.275 26.495 27.740 0.050 0.000 1.989 108 C HN 0.771 nan 8.230 nan 0.000 0.491 109 D N 0.622 121.031 120.400 0.016 0.000 2.117 109 D HA -0.156 4.479 4.640 -0.008 0.000 0.197 109 D C 2.108 178.429 176.300 0.034 0.000 0.987 109 D CA 1.550 55.560 54.000 0.017 0.000 0.829 109 D CB -0.138 40.659 40.800 -0.004 0.000 0.961 109 D HN 0.481 nan 8.370 nan 0.000 0.460 110 E N 0.007 120.221 120.200 0.024 0.000 2.028 110 E HA -0.006 4.339 4.350 -0.008 0.000 0.190 110 E C 1.916 178.565 176.600 0.083 0.000 0.984 110 E CA 1.490 57.926 56.400 0.059 0.000 0.800 110 E CB -0.640 29.074 29.700 0.024 0.000 0.758 110 E HN 0.226 nan 8.360 nan 0.000 0.448 111 A N -0.008 122.826 122.820 0.024 0.000 1.908 111 A HA -0.218 4.097 4.320 -0.008 0.000 0.218 111 A C 2.476 180.004 177.584 -0.094 0.000 1.181 111 A CA 2.832 54.858 52.037 -0.019 0.000 0.627 111 A CB -1.473 17.520 19.000 -0.011 0.000 0.818 111 A HN 0.524 nan 8.150 nan 0.000 0.445 112 T N -3.823 110.673 114.554 -0.097 0.000 2.904 112 T HA -0.182 4.163 4.350 -0.008 0.000 0.267 112 T C 1.823 176.452 174.700 -0.119 0.000 1.059 112 T CA 1.439 63.422 62.100 -0.194 0.000 1.137 112 T CB -0.523 68.270 68.868 -0.124 0.000 0.879 112 T HN 0.457 nan 8.240 nan 0.000 0.467 113 Y N 2.189 122.415 120.300 -0.124 0.000 2.114 113 Y HA -0.068 4.477 4.550 -0.007 0.000 0.284 113 Y C 2.660 178.501 175.900 -0.100 0.000 1.143 113 Y CA 1.473 59.515 58.100 -0.096 0.000 1.135 113 Y CB -0.595 37.828 38.460 -0.062 0.000 0.980 113 Y HN 0.219 nan 8.280 nan 0.000 0.499 114 Q N -0.189 119.531 119.800 -0.133 0.000 2.226 114 Q HA -0.145 4.190 4.340 -0.008 0.000 0.204 114 Q C 1.850 177.714 176.000 -0.227 0.000 0.975 114 Q CA 1.505 57.190 55.803 -0.196 0.000 0.866 114 Q CB -0.179 28.525 28.738 -0.057 0.000 0.915 114 Q HN 0.503 nan 8.270 nan 0.000 0.440 115 L N -0.492 120.589 121.223 -0.237 0.000 2.627 115 L HA 0.134 4.469 4.340 -0.008 0.000 0.233 115 L C 0.823 177.530 176.870 -0.272 0.000 1.144 115 L CA 0.141 54.830 54.840 -0.252 0.000 0.892 115 L CB -0.134 41.703 42.059 -0.369 0.000 1.039 115 L HN 0.330 nan 8.230 nan 0.000 0.442 116 G N 1.012 109.631 108.800 -0.303 0.000 2.246 116 G HA2 -0.270 3.685 3.960 -0.008 0.000 0.273 116 G HA3 -0.270 3.685 3.960 -0.008 0.000 0.273 116 G C -0.242 174.508 174.900 -0.250 0.000 1.055 116 G CA 0.015 44.946 45.100 -0.283 0.000 0.851 116 G HN 0.276 nan 8.290 nan 0.000 0.500 117 L N -0.424 120.654 121.223 -0.242 0.000 2.401 117 L HA 0.512 4.847 4.340 -0.008 0.000 0.266 117 L C -0.694 176.128 176.870 -0.081 0.000 0.991 117 L CA -1.178 53.537 54.840 -0.208 0.000 0.818 117 L CB 2.071 43.934 42.059 -0.326 0.000 1.321 117 L HN 0.109 nan 8.230 nan 0.000 0.413 118 D N 2.471 122.852 120.400 -0.033 0.000 2.347 118 D HA 0.168 4.803 4.640 -0.008 0.000 0.235 118 D C 0.701 177.020 176.300 0.032 0.000 1.149 118 D CA -0.142 53.873 54.000 0.025 0.000 0.850 118 D CB 1.448 42.267 40.800 0.032 0.000 1.061 118 D HN 0.508 nan 8.370 nan 0.000 0.487 119 M N 3.255 122.880 119.600 0.043 0.000 2.108 119 M HA -0.165 4.310 4.480 -0.008 0.000 0.261 119 M C 1.370 177.713 176.300 0.072 0.000 1.066 119 M CA 1.577 56.914 55.300 0.062 0.000 1.107 119 M CB 0.133 32.768 32.600 0.057 0.000 1.356 119 M HN 0.439 nan 8.290 nan 0.000 0.406 120 E N -0.115 120.119 120.200 0.057 0.000 2.118 120 E HA -0.290 4.055 4.350 -0.008 0.000 0.195 120 E C 1.871 178.505 176.600 0.057 0.000 0.992 120 E CA 1.697 58.130 56.400 0.055 0.000 0.804 120 E CB -0.296 29.434 29.700 0.050 0.000 0.741 120 E HN 0.673 nan 8.360 nan 0.000 0.458 121 E N 0.560 120.793 120.200 0.054 0.000 2.110 121 E HA -0.204 4.141 4.350 -0.008 0.000 0.193 121 E C 1.945 178.580 176.600 0.059 0.000 0.988 121 E CA 0.652 57.081 56.400 0.049 0.000 0.804 121 E CB 0.137 29.863 29.700 0.044 0.000 0.745 121 E HN 0.085 nan 8.360 nan 0.000 0.458 122 L N 1.410 122.690 121.223 0.094 0.000 2.093 122 L HA -0.114 4.221 4.340 -0.008 0.000 0.208 122 L C 2.100 179.043 176.870 0.121 0.000 1.085 122 L CA 1.613 56.544 54.840 0.151 0.000 0.755 122 L CB -0.513 41.683 42.059 0.228 0.000 0.904 122 L HN 0.138 nan 8.230 nan 0.000 0.435 123 E N -0.665 119.598 120.200 0.104 0.000 2.150 123 E HA -0.180 4.165 4.350 -0.008 0.000 0.193 123 E C 1.760 178.343 176.600 -0.028 0.000 0.985 123 E CA 0.730 57.172 56.400 0.071 0.000 0.814 123 E CB -0.030 29.714 29.700 0.072 0.000 0.752 123 E HN 0.417 nan 8.360 nan 0.000 0.466 124 E N 0.366 120.558 120.200 -0.014 0.000 2.472 124 E HA -0.107 4.238 4.350 -0.008 0.000 0.200 124 E C 1.796 178.343 176.600 -0.089 0.000 1.046 124 E CA 0.549 56.937 56.400 -0.021 0.000 0.871 124 E CB 0.074 29.787 29.700 0.021 0.000 0.806 124 E HN 0.430 nan 8.360 nan 0.000 0.533 125 I N 0.665 121.122 120.570 -0.189 0.000 2.876 125 I HA -0.076 4.089 4.170 -0.008 0.000 0.264 125 I C 1.331 177.155 176.117 -0.488 0.000 1.204 125 I CA 0.111 61.230 61.300 -0.302 0.000 1.485 125 I CB 0.102 37.909 38.000 -0.322 0.000 1.103 125 I HN -0.030 nan 8.210 nan 0.000 0.446 126 E N 2.490 122.317 120.200 -0.622 0.000 2.376 126 E HA -0.048 4.297 4.350 -0.008 0.000 0.266 126 E C -0.050 176.481 176.600 -0.114 0.000 1.009 126 E CA -0.207 55.879 56.400 -0.523 0.000 0.902 126 E CB 0.668 30.189 29.700 -0.300 0.000 0.972 126 E HN 0.053 nan 8.360 nan 0.000 0.439 127 E N 2.931 123.155 120.200 0.040 0.000 2.354 127 E HA 0.078 4.423 4.350 -0.008 0.000 0.269 127 E C -1.180 175.538 176.600 0.197 0.000 1.036 127 E CA -0.231 56.277 56.400 0.179 0.000 0.876 127 E CB 0.781 30.677 29.700 0.327 0.000 1.009 127 E HN 0.368 nan 8.360 nan 0.000 0.416 128 D N 1.477 121.964 120.400 0.145 0.000 2.345 128 D HA 0.294 4.930 4.640 -0.008 0.000 0.247 128 D C -0.854 175.466 176.300 0.033 0.000 1.108 128 D CA 0.101 54.150 54.000 0.081 0.000 0.894 128 D CB 1.046 41.876 40.800 0.051 0.000 1.203 128 D HN 0.421 nan 8.370 nan 0.000 0.430 129 A N 2.237 125.022 122.820 -0.058 0.000 2.666 129 A HA 0.484 4.799 4.320 -0.008 0.000 0.312 129 A C 0.958 178.365 177.584 -0.295 0.000 1.471 129 A CA -0.480 51.301 52.037 -0.425 0.000 1.134 129 A CB -0.210 18.628 19.000 -0.270 0.000 1.129 129 A HN 0.518 nan 8.150 nan 0.000 0.539 130 G N 2.026 110.607 108.800 -0.366 0.000 3.741 130 G HA2 0.404 4.359 3.960 -0.008 0.000 0.263 130 G HA3 0.404 4.359 3.960 -0.008 0.000 0.263 130 G C 0.322 174.990 174.900 -0.388 0.000 1.175 130 G CA -0.296 44.674 45.100 -0.217 0.000 1.642 130 G HN 0.696 nan 8.290 nan 0.000 0.644 131 L N 1.350 122.396 121.223 -0.294 0.000 2.922 131 L HA 0.367 4.702 4.340 -0.008 0.000 0.244 131 L C 1.067 177.865 176.870 -0.120 0.000 1.324 131 L CA -0.214 54.565 54.840 -0.102 0.000 1.172 131 L CB -0.407 41.717 42.059 0.109 0.000 1.545 131 L HN 0.315 nan 8.230 nan 0.000 0.438 132 G N -1.303 107.189 108.800 -0.514 0.000 2.660 132 G HA2 0.230 4.185 3.960 -0.008 0.000 0.290 132 G HA3 0.230 4.185 3.960 -0.008 0.000 0.290 132 G C -0.162 174.271 174.900 -0.777 0.000 1.432 132 G CA -0.439 44.325 45.100 -0.560 0.000 0.807 132 G HN -0.082 nan 8.290 nan 0.000 0.485 133 N N -0.871 117.609 118.700 -0.366 0.000 2.499 133 N HA 0.224 4.959 4.740 -0.008 0.000 0.182 133 N C 1.145 176.668 175.510 0.022 0.000 1.034 133 N CA 1.254 54.192 53.050 -0.187 0.000 0.882 133 N CB 1.304 39.779 38.487 -0.020 0.000 1.125 133 N HN 0.794 nan 8.380 nan 0.000 0.436 134 G N -0.666 108.221 108.800 0.145 0.000 2.947 134 G HA2 0.235 4.190 3.960 -0.008 0.000 0.115 134 G HA3 0.235 4.190 3.960 -0.008 0.000 0.115 134 G C 0.773 175.796 174.900 0.205 0.000 1.214 134 G CA 0.280 45.546 45.100 0.276 0.000 1.324 134 G HN 0.182 nan 8.290 nan 0.000 0.645 135 G N 0.544 109.404 108.800 0.101 0.000 2.553 135 G HA2 -0.191 3.764 3.960 -0.008 0.000 0.218 135 G HA3 -0.191 3.764 3.960 -0.008 0.000 0.218 135 G C 1.909 176.794 174.900 -0.024 0.000 1.195 135 G CA 1.598 46.717 45.100 0.031 0.000 0.779 135 G HN 0.815 nan 8.290 nan 0.000 0.577 136 L N 0.674 121.844 121.223 -0.088 0.000 2.012 136 L HA 0.007 4.342 4.340 -0.008 0.000 0.210 136 L C 2.845 179.639 176.870 -0.126 0.000 1.073 136 L CA 2.153 56.843 54.840 -0.251 0.000 0.748 136 L CB -0.558 41.303 42.059 -0.331 0.000 0.891 136 L HN 0.269 nan 8.230 nan 0.000 0.431 137 G N -1.121 107.673 108.800 -0.011 0.000 2.448 137 G HA2 -0.211 3.744 3.960 -0.008 0.000 0.218 137 G HA3 -0.211 3.744 3.960 -0.008 0.000 0.218 137 G C 1.696 176.676 174.900 0.133 0.000 1.135 137 G CA 0.115 45.239 45.100 0.040 0.000 0.784 137 G HN 0.166 nan 8.290 nan 0.000 0.543 138 R N -0.020 120.572 120.500 0.154 0.000 2.119 138 R HA 0.141 4.476 4.340 -0.008 0.000 0.222 138 R C 2.385 178.688 176.300 0.005 0.000 1.088 138 R CA 0.485 56.652 56.100 0.111 0.000 0.984 138 R CB -0.831 29.498 30.300 0.048 0.000 0.884 138 R HN 0.400 nan 8.270 nan 0.000 0.447 139 L N 0.757 121.911 121.223 -0.116 0.000 2.046 139 L HA -0.055 4.280 4.340 -0.008 0.000 0.208 139 L C 2.146 178.709 176.870 -0.512 0.000 1.077 139 L CA 2.117 56.733 54.840 -0.374 0.000 0.747 139 L CB -0.741 41.066 42.059 -0.420 0.000 0.896 139 L HN 0.159 nan 8.230 nan 0.000 0.432 140 A N -0.531 122.149 122.820 -0.233 0.000 1.877 140 A HA -0.140 4.175 4.320 -0.008 0.000 0.216 140 A C 2.460 180.103 177.584 0.098 0.000 1.186 140 A CA 1.916 53.901 52.037 -0.087 0.000 0.620 140 A CB -1.204 17.704 19.000 -0.153 0.000 0.822 140 A HN 0.562 nan 8.150 nan 0.000 0.443 141 A N -1.030 121.880 122.820 0.151 0.000 1.877 141 A HA -0.183 4.132 4.320 -0.008 0.000 0.216 141 A C 2.326 179.984 177.584 0.125 0.000 1.186 141 A CA 1.730 53.879 52.037 0.185 0.000 0.620 141 A CB -1.309 17.789 19.000 0.162 0.000 0.822 141 A HN 0.605 nan 8.150 nan 0.000 0.443 142 C N -1.563 117.807 119.300 0.117 0.000 2.425 142 C HA -0.050 4.405 4.460 -0.008 0.000 0.277 142 C C 2.431 177.580 174.990 0.267 0.000 1.280 142 C CA 0.585 59.710 59.018 0.178 0.000 1.744 142 C CB -1.605 26.261 27.740 0.209 0.000 1.989 142 C HN 0.606 nan 8.230 nan 0.000 0.491 143 F N 0.594 120.527 119.950 -0.029 0.000 2.134 143 F HA -0.070 4.451 4.527 -0.009 0.000 0.299 143 F C 2.102 177.838 175.800 -0.107 0.000 1.097 143 F CA 1.055 58.983 58.000 -0.120 0.000 1.264 143 F CB -1.375 37.417 39.000 -0.346 0.000 1.001 143 F HN 0.099 nan 8.300 nan 0.000 0.479 144 L N 0.261 121.558 121.223 0.124 0.000 2.042 144 L HA -0.238 4.097 4.340 -0.008 0.000 0.210 144 L C 2.166 179.046 176.870 0.015 0.000 1.076 144 L CA 1.972 56.840 54.840 0.046 0.000 0.749 144 L CB -1.314 40.778 42.059 0.055 0.000 0.893 144 L HN 0.098 nan 8.230 nan 0.000 0.432 145 D N -1.485 118.934 120.400 0.032 0.000 2.084 145 D HA -0.174 4.461 4.640 -0.008 0.000 0.194 145 D C 2.205 178.519 176.300 0.024 0.000 0.990 145 D CA 1.543 55.548 54.000 0.009 0.000 0.826 145 D CB 0.147 40.952 40.800 0.008 0.000 0.971 145 D HN 0.183 nan 8.370 nan 0.000 0.453 146 S N -0.732 114.999 115.700 0.051 0.000 2.368 146 S HA -0.128 4.337 4.470 -0.008 0.000 0.225 146 S C 2.025 176.635 174.600 0.016 0.000 1.030 146 S CA 0.957 59.179 58.200 0.036 0.000 0.999 146 S CB -0.248 62.978 63.200 0.043 0.000 0.844 146 S HN 0.338 nan 8.310 nan 0.000 0.459 147 M N 0.978 120.579 119.600 0.002 0.000 2.149 147 M HA -0.131 4.344 4.480 -0.008 0.000 0.261 147 M C 2.442 178.742 176.300 -0.001 0.000 1.064 147 M CA 1.503 56.800 55.300 -0.004 0.000 1.102 147 M CB -0.534 32.045 32.600 -0.036 0.000 1.369 147 M HN 0.404 nan 8.290 nan 0.000 0.408 148 A N -0.414 122.401 122.820 -0.008 0.000 1.897 148 A HA -0.107 4.208 4.320 -0.008 0.000 0.215 148 A C 2.133 179.730 177.584 0.022 0.000 1.181 148 A CA 1.904 53.939 52.037 -0.003 0.000 0.620 148 A CB -0.997 17.983 19.000 -0.034 0.000 0.821 148 A HN 0.423 nan 8.150 nan 0.000 0.443 149 T N 0.189 114.761 114.554 0.031 0.000 3.007 149 T HA 0.064 4.409 4.350 -0.008 0.000 0.270 149 T C 1.130 175.861 174.700 0.051 0.000 1.107 149 T CA 0.853 62.986 62.100 0.055 0.000 1.118 149 T CB -0.237 68.674 68.868 0.071 0.000 0.889 149 T HN 0.333 nan 8.240 nan 0.000 0.506 150 L N 0.430 121.679 121.223 0.043 0.000 2.741 150 L HA 0.333 4.668 4.340 -0.008 0.000 0.237 150 L C 1.557 178.461 176.870 0.056 0.000 1.178 150 L CA -0.235 54.633 54.840 0.047 0.000 0.973 150 L CB -0.290 41.794 42.059 0.042 0.000 1.255 150 L HN 0.341 nan 8.230 nan 0.000 0.498 151 G N 1.253 110.092 108.800 0.065 0.000 2.283 151 G HA2 -0.292 3.663 3.960 -0.008 0.000 0.280 151 G HA3 -0.292 3.663 3.960 -0.008 0.000 0.280 151 G C 0.144 175.100 174.900 0.093 0.000 1.029 151 G CA 0.177 45.337 45.100 0.100 0.000 0.840 151 G HN 0.309 nan 8.290 nan 0.000 0.505 152 L N -0.178 121.066 121.223 0.036 0.000 2.350 152 L HA 0.592 4.927 4.340 -0.008 0.000 0.275 152 L C 1.185 177.942 176.870 -0.188 0.000 1.099 152 L CA -0.353 54.460 54.840 -0.046 0.000 0.808 152 L CB 1.582 43.626 42.059 -0.025 0.000 1.149 152 L HN 0.246 nan 8.230 nan 0.000 0.442 153 A N 3.200 125.767 122.820 -0.422 0.000 2.990 153 A HA 0.566 4.881 4.320 -0.008 0.000 0.282 153 A C 0.284 177.518 177.584 -0.582 0.000 1.688 153 A CA -0.176 51.318 52.037 -0.906 0.000 1.391 153 A CB -0.604 17.725 19.000 -1.117 0.000 1.112 153 A HN 0.700 nan 8.150 nan 0.000 0.588 154 A N 1.568 124.095 122.820 -0.488 0.000 2.340 154 A HA 0.789 5.105 4.320 -0.008 0.000 0.331 154 A C -1.037 176.274 177.584 -0.456 0.000 1.140 154 A CA -0.460 51.348 52.037 -0.381 0.000 0.801 154 A CB 0.757 19.610 19.000 -0.246 0.000 1.234 154 A HN 0.621 nan 8.150 nan 0.000 0.469 155 Y N 0.359 120.584 120.300 -0.126 0.000 2.361 155 Y HA 0.535 5.081 4.550 -0.008 0.000 0.337 155 Y C 0.870 176.833 175.900 0.105 0.000 0.965 155 Y CA -0.504 57.585 58.100 -0.018 0.000 1.091 155 Y CB 2.384 40.915 38.460 0.117 0.000 1.182 155 Y HN 0.830 nan 8.280 nan 0.000 0.450 156 G N 2.255 111.118 108.800 0.106 0.000 2.338 156 G HA2 0.449 4.404 3.960 -0.008 0.000 0.298 156 G HA3 0.449 4.404 3.960 -0.008 0.000 0.298 156 G C -1.760 173.157 174.900 0.029 0.000 1.140 156 G CA -0.234 44.983 45.100 0.195 0.000 0.860 156 G HN 0.516 nan 8.290 nan 0.000 0.470 157 Y N 0.945 121.498 120.300 0.422 0.000 2.361 157 Y HA 0.634 5.179 4.550 -0.008 0.000 0.337 157 Y C 0.716 176.934 175.900 0.531 0.000 0.965 157 Y CA 0.157 58.466 58.100 0.349 0.000 1.091 157 Y CB 2.673 41.356 38.460 0.371 0.000 1.182 157 Y HN 0.898 nan 8.280 nan 0.000 0.450 158 G N 2.263 111.407 108.800 0.573 0.000 2.664 158 G HA2 0.569 4.524 3.960 -0.008 0.000 0.303 158 G HA3 0.569 4.524 3.960 -0.008 0.000 0.303 158 G C -1.766 173.373 174.900 0.399 0.000 1.243 158 G CA -0.835 44.618 45.100 0.588 0.000 0.826 158 G HN 0.422 nan 8.290 nan 0.000 0.498 159 I N 0.530 121.228 120.570 0.215 0.000 2.441 159 I HA 0.440 4.605 4.170 -0.008 0.000 0.295 159 I C 0.323 176.335 176.117 -0.174 0.000 0.994 159 I CA -0.730 60.583 61.300 0.022 0.000 1.144 159 I CB 2.175 40.023 38.000 -0.254 0.000 1.314 159 I HN 0.378 nan 8.210 nan 0.000 0.445 160 R N 5.995 126.493 120.500 -0.003 0.000 2.608 160 R HA 0.236 4.571 4.340 -0.008 0.000 0.277 160 R C -1.295 175.054 176.300 0.081 0.000 1.341 160 R CA -0.436 55.693 56.100 0.049 0.000 1.199 160 R CB -0.050 30.255 30.300 0.009 0.000 1.156 160 R HN 0.387 nan 8.270 nan 0.000 0.558 161 Y N 1.506 121.969 120.300 0.271 0.000 2.442 161 Y HA -0.056 4.489 4.550 -0.008 0.000 0.330 161 Y C 1.539 177.619 175.900 0.300 0.000 1.129 161 Y CA -0.034 58.217 58.100 0.251 0.000 1.365 161 Y CB 0.869 39.459 38.460 0.217 0.000 1.233 161 Y HN 0.592 nan 8.280 nan 0.000 0.529 162 E N 2.163 122.537 120.200 0.290 0.000 2.150 162 E HA -0.060 4.285 4.350 -0.008 0.000 0.193 162 E C -0.751 175.730 176.600 -0.199 0.000 0.985 162 E CA 0.723 57.082 56.400 -0.069 0.000 0.814 162 E CB 0.179 29.732 29.700 -0.244 0.000 0.752 162 E HN 0.518 nan 8.360 nan 0.000 0.466 163 F N -0.354 119.818 119.950 0.370 0.000 2.499 163 F HA 0.427 4.949 4.527 -0.008 0.000 0.333 163 F C 0.732 176.622 175.800 0.150 0.000 1.138 163 F CA -0.936 57.236 58.000 0.288 0.000 0.945 163 F CB 1.866 40.960 39.000 0.157 0.000 1.181 163 F HN -0.110 nan 8.300 nan 0.000 0.435 164 G N 1.866 110.785 108.800 0.199 0.000 2.531 164 G HA2 0.343 4.298 3.960 -0.008 0.000 0.253 164 G HA3 0.343 4.298 3.960 -0.008 0.000 0.253 164 G C -0.505 174.353 174.900 -0.070 0.000 1.439 164 G CA -0.674 44.381 45.100 -0.074 0.000 1.056 164 G HN 0.536 nan 8.290 nan 0.000 0.555 165 I N 0.835 121.282 120.570 -0.205 0.000 2.775 165 I HA 0.200 4.365 4.170 -0.008 0.000 0.290 165 I C 0.531 176.538 176.117 -0.183 0.000 1.203 165 I CA -1.201 59.944 61.300 -0.258 0.000 1.433 165 I CB -0.308 37.450 38.000 -0.404 0.000 1.354 165 I HN 0.329 nan 8.210 nan 0.000 0.579 166 F N 6.504 126.464 119.950 0.017 0.000 2.589 166 F HA 0.279 4.801 4.527 -0.008 0.000 0.352 166 F C 0.443 176.290 175.800 0.080 0.000 1.168 166 F CA -0.606 57.424 58.000 0.049 0.000 1.353 166 F CB -0.316 38.699 39.000 0.025 0.000 1.116 166 F HN 0.431 nan 8.300 nan 0.000 0.608 167 N N 2.434 121.333 118.700 0.332 0.000 2.458 167 N HA 0.056 4.791 4.740 -0.008 0.000 0.270 167 N C -0.832 174.932 175.510 0.422 0.000 1.102 167 N CA -0.275 52.937 53.050 0.271 0.000 0.967 167 N CB 1.208 39.829 38.487 0.224 0.000 1.078 167 N HN 0.753 nan 8.380 nan 0.000 0.471 168 Q N 2.421 122.444 119.800 0.372 0.000 2.274 168 Q HA 0.226 4.561 4.340 -0.008 0.000 0.256 168 Q C -1.012 175.162 176.000 0.291 0.000 0.927 168 Q CA -0.250 55.798 55.803 0.409 0.000 0.939 168 Q CB 0.754 29.749 28.738 0.428 0.000 1.201 168 Q HN 0.329 nan 8.270 nan 0.000 0.426 169 K N 4.080 124.622 120.400 0.237 0.000 2.371 169 K HA 0.477 4.792 4.320 -0.008 0.000 0.251 169 K C -0.916 175.781 176.600 0.162 0.000 0.934 169 K CA -0.951 55.453 56.287 0.195 0.000 0.798 169 K CB 1.608 34.202 32.500 0.158 0.000 1.204 169 K HN 0.557 nan 8.250 nan 0.000 0.427 170 I N 2.353 123.013 120.570 0.150 0.000 2.336 170 I HA 0.253 4.418 4.170 -0.008 0.000 0.292 170 I C -0.292 175.880 176.117 0.092 0.000 0.991 170 I CA -0.803 60.553 61.300 0.093 0.000 1.227 170 I CB 0.794 38.826 38.000 0.054 0.000 1.366 170 I HN 0.594 nan 8.210 nan 0.000 0.466 171 C N 3.832 123.195 119.300 0.105 0.000 2.381 171 C HA 0.593 5.048 4.460 -0.008 0.000 0.328 171 C C 1.061 176.149 174.990 0.162 0.000 1.190 171 C CA -0.466 58.621 59.018 0.115 0.000 1.369 171 C CB 0.606 28.413 27.740 0.111 0.000 2.029 171 C HN 1.101 nan 8.230 nan 0.000 0.448 172 G N 2.249 111.111 108.800 0.104 0.000 2.225 172 G HA2 0.119 4.074 3.960 -0.008 0.000 0.267 172 G HA3 0.119 4.074 3.960 -0.008 0.000 0.267 172 G C 1.103 175.962 174.900 -0.067 0.000 1.024 172 G CA 1.058 46.219 45.100 0.102 0.000 0.784 172 G HN 2.446 nan 8.290 nan 0.000 0.507 173 G N -2.884 105.838 108.800 -0.131 0.000 2.176 173 G HA2 -0.286 3.669 3.960 -0.008 0.000 0.253 173 G HA3 -0.286 3.669 3.960 -0.008 0.000 0.253 173 G C 0.373 175.001 174.900 -0.453 0.000 0.979 173 G CA 0.637 45.533 45.100 -0.339 0.000 0.641 173 G HN 1.203 nan 8.290 nan 0.000 0.530 174 W N 0.783 122.027 121.300 -0.092 0.000 2.516 174 W HA 0.667 5.322 4.660 -0.008 0.000 0.343 174 W C 0.641 177.104 176.519 -0.093 0.000 1.094 174 W CA -0.870 56.415 57.345 -0.101 0.000 1.250 174 W CB 0.798 30.216 29.460 -0.071 0.000 1.308 174 W HN 0.241 nan 8.180 nan 0.000 0.588 175 Q N 2.843 122.744 119.800 0.167 0.000 2.304 175 Q HA 0.291 4.626 4.340 -0.008 0.000 0.260 175 Q C -0.699 175.346 176.000 0.075 0.000 0.965 175 Q CA -0.032 55.828 55.803 0.095 0.000 0.898 175 Q CB 0.612 29.397 28.738 0.077 0.000 1.196 175 Q HN 0.311 nan 8.270 nan 0.000 0.402 176 M N 3.243 122.882 119.600 0.065 0.000 2.321 176 M HA 0.368 4.843 4.480 -0.008 0.000 0.315 176 M C -1.125 175.165 176.300 -0.017 0.000 1.052 176 M CA -0.687 54.620 55.300 0.011 0.000 0.936 176 M CB 1.662 34.288 32.600 0.044 0.000 1.639 176 M HN 0.618 nan 8.290 nan 0.000 0.433 177 E N 1.556 121.665 120.200 -0.153 0.000 2.266 177 E HA 0.459 4.804 4.350 -0.008 0.000 0.277 177 E C -0.712 175.860 176.600 -0.047 0.000 1.018 177 E CA -0.305 55.950 56.400 -0.241 0.000 0.840 177 E CB 1.600 30.908 29.700 -0.652 0.000 1.082 177 E HN 0.467 nan 8.360 nan 0.000 0.395 178 E N 1.241 121.501 120.200 0.099 0.000 2.272 178 E HA 0.560 4.905 4.350 -0.008 0.000 0.269 178 E C -1.293 175.393 176.600 0.143 0.000 0.877 178 E CA -1.155 55.305 56.400 0.100 0.000 0.755 178 E CB 1.330 31.109 29.700 0.131 0.000 1.192 178 E HN 0.605 nan 8.360 nan 0.000 0.422 179 A N 3.390 126.246 122.820 0.060 0.000 2.546 179 A HA 0.010 4.325 4.320 -0.008 0.000 0.243 179 A C 0.068 177.798 177.584 0.242 0.000 1.063 179 A CA 0.193 52.258 52.037 0.047 0.000 0.757 179 A CB 0.119 18.999 19.000 -0.199 0.000 0.991 179 A HN 0.619 nan 8.150 nan 0.000 0.503 180 D N 1.963 122.579 120.400 0.361 0.000 2.558 180 D HA 0.166 4.801 4.640 -0.008 0.000 0.221 180 D C -0.320 176.325 176.300 0.575 0.000 1.143 180 D CA -0.138 54.096 54.000 0.391 0.000 1.010 180 D CB 0.119 41.085 40.800 0.276 0.000 1.068 180 D HN 0.434 nan 8.370 nan 0.000 0.511 181 D N 3.113 123.811 120.400 0.497 0.000 2.688 181 D HA -0.034 4.601 4.640 -0.008 0.000 0.228 181 D C 1.251 177.651 176.300 0.167 0.000 1.116 181 D CA -0.519 53.674 54.000 0.321 0.000 1.023 181 D CB -0.171 40.819 40.800 0.315 0.000 1.100 181 D HN 0.495 nan 8.370 nan 0.000 0.487 182 W N 1.955 123.267 121.300 0.020 0.000 2.611 182 W HA -0.024 4.631 4.660 -0.008 0.000 0.251 182 W C 0.022 176.555 176.519 0.024 0.000 1.265 182 W CA 0.101 57.474 57.345 0.046 0.000 1.295 182 W CB -0.727 28.779 29.460 0.077 0.000 1.129 182 W HN 0.218 nan 8.180 nan 0.000 0.630 183 L N 0.766 121.573 121.223 -0.693 0.000 2.607 183 L HA 0.187 4.522 4.340 -0.008 0.000 0.228 183 L C 2.733 179.382 176.870 -0.369 0.000 1.123 183 L CA -0.062 54.357 54.840 -0.701 0.000 0.890 183 L CB -0.584 40.953 42.059 -0.870 0.000 1.103 183 L HN -0.110 nan 8.230 nan 0.000 0.468 184 R N 0.615 120.916 120.500 -0.331 0.000 2.112 184 R HA -0.234 4.101 4.340 -0.008 0.000 0.242 184 R C 1.559 177.635 176.300 -0.373 0.000 1.137 184 R CA 2.187 58.048 56.100 -0.397 0.000 0.944 184 R CB -0.190 29.762 30.300 -0.580 0.000 0.857 184 R HN 0.274 nan 8.270 nan 0.000 0.435 185 Y N -0.625 119.700 120.300 0.042 0.000 2.490 185 Y HA 0.335 4.880 4.550 -0.008 0.000 0.281 185 Y C 0.876 176.802 175.900 0.043 0.000 1.174 185 Y CA 0.444 58.604 58.100 0.099 0.000 1.295 185 Y CB 0.430 39.060 38.460 0.283 0.000 1.062 185 Y HN 0.401 nan 8.280 nan 0.000 0.522 186 G N 1.169 110.009 108.800 0.066 0.000 2.675 186 G HA2 -0.189 3.766 3.960 -0.008 0.000 0.686 186 G HA3 -0.189 3.766 3.960 -0.008 0.000 0.686 186 G C -1.289 173.668 174.900 0.094 0.000 1.215 186 G CA -0.869 44.221 45.100 -0.017 0.000 0.777 186 G HN 0.268 nan 8.290 nan 0.000 0.638 187 N N 1.450 120.146 118.700 -0.007 0.000 2.524 187 N HA 0.596 5.331 4.740 -0.008 0.000 0.261 187 N C -0.579 174.918 175.510 -0.023 0.000 0.998 187 N CA -1.932 51.151 53.050 0.055 0.000 0.915 187 N CB 2.106 40.572 38.487 -0.035 0.000 1.187 187 N HN 0.268 nan 8.380 nan 0.000 0.507 188 P HA 0.023 nan 4.420 nan 0.000 0.233 188 P C 0.571 177.527 177.300 -0.574 0.000 1.167 188 P CA 0.652 63.434 63.100 -0.530 0.000 0.770 188 P CB 0.140 31.312 31.700 -0.880 0.000 0.837 189 W N 2.032 123.344 121.300 0.019 0.000 2.576 189 W HA 0.045 4.701 4.660 -0.008 0.000 0.270 189 W C 1.333 177.889 176.519 0.061 0.000 1.255 189 W CA -0.299 57.055 57.345 0.014 0.000 1.314 189 W CB -0.255 29.223 29.460 0.031 0.000 1.101 189 W HN 0.004 nan 8.180 nan 0.000 0.595 190 E N 1.840 122.198 120.200 0.265 0.000 2.349 190 E HA 0.297 4.642 4.350 -0.008 0.000 0.265 190 E C -0.525 176.215 176.600 0.233 0.000 1.064 190 E CA -0.653 55.908 56.400 0.268 0.000 0.886 190 E CB 1.273 31.143 29.700 0.283 0.000 1.036 190 E HN -0.335 nan 8.360 nan 0.000 0.413 191 K N 1.560 122.100 120.400 0.235 0.000 2.579 191 K HA 0.413 4.728 4.320 -0.008 0.000 0.250 191 K C -1.370 175.202 176.600 -0.047 0.000 0.952 191 K CA -0.549 55.801 56.287 0.106 0.000 0.857 191 K CB 1.569 34.128 32.500 0.098 0.000 1.123 191 K HN 0.653 nan 8.250 nan 0.000 0.433 192 A N 4.552 127.261 122.820 -0.184 0.000 2.450 192 A HA 0.447 4.762 4.320 -0.008 0.000 0.255 192 A C -0.334 177.062 177.584 -0.312 0.000 1.096 192 A CA -0.289 51.422 52.037 -0.544 0.000 0.778 192 A CB 0.200 18.854 19.000 -0.577 0.000 1.031 192 A HN 0.631 nan 8.150 nan 0.000 0.494 193 R N 3.105 123.422 120.500 -0.305 0.000 2.868 193 R HA 0.223 4.558 4.340 -0.008 0.000 0.289 193 R C -2.486 173.815 176.300 0.002 0.000 1.443 193 R CA -1.761 54.266 56.100 -0.123 0.000 1.651 193 R CB 0.412 30.599 30.300 -0.189 0.000 1.242 193 R HN 0.454 nan 8.270 nan 0.000 0.621 194 P HA -0.207 nan 4.420 nan 0.000 0.218 194 P C 1.117 178.467 177.300 0.085 0.000 1.146 194 P CA 1.156 64.269 63.100 0.023 0.000 0.813 194 P CB 0.370 32.065 31.700 -0.008 0.000 0.778 195 E N -1.061 119.210 120.200 0.119 0.000 2.511 195 E HA -0.094 4.251 4.350 -0.008 0.000 0.196 195 E C 0.553 177.140 176.600 -0.022 0.000 1.066 195 E CA 0.784 57.212 56.400 0.047 0.000 0.871 195 E CB -0.847 28.853 29.700 0.001 0.000 0.863 195 E HN 0.296 nan 8.360 nan 0.000 0.520 196 F N 1.606 121.575 119.950 0.031 0.000 2.647 196 F HA 0.233 4.756 4.527 -0.008 0.000 0.300 196 F C 0.365 176.268 175.800 0.172 0.000 1.106 196 F CA -0.358 57.695 58.000 0.089 0.000 1.313 196 F CB 0.429 39.477 39.000 0.081 0.000 1.007 196 F HN -0.279 nan 8.300 nan 0.000 0.536 197 T N 2.820 117.521 114.554 0.245 0.000 2.916 197 T HA 0.320 4.665 4.350 -0.008 0.000 0.303 197 T C -0.229 174.555 174.700 0.141 0.000 1.025 197 T CA 0.332 62.568 62.100 0.226 0.000 1.142 197 T CB 0.670 69.626 68.868 0.148 0.000 0.947 197 T HN -0.174 nan 8.240 nan 0.000 0.544 198 L N 5.511 126.793 121.223 0.099 0.000 2.354 198 L HA 0.605 4.940 4.340 -0.008 0.000 0.264 198 L C -2.247 174.567 176.870 -0.094 0.000 1.008 198 L CA -2.378 52.443 54.840 -0.032 0.000 0.819 198 L CB 2.021 44.003 42.059 -0.128 0.000 1.339 198 L HN 0.384 nan 8.230 nan 0.000 0.420 199 P HA 0.427 nan 4.420 nan 0.000 0.292 199 P C -1.353 175.773 177.300 -0.290 0.000 1.283 199 P CA -0.461 62.526 63.100 -0.188 0.000 0.835 199 P CB 2.056 33.639 31.700 -0.196 0.000 1.017 200 V N 3.819 123.544 119.914 -0.314 0.000 2.604 200 V HA 0.345 4.460 4.120 -0.008 0.000 0.305 200 V C -0.257 175.563 176.094 -0.456 0.000 1.043 200 V CA -0.552 61.550 62.300 -0.332 0.000 0.888 200 V CB 1.426 33.128 31.823 -0.202 0.000 0.995 200 V HN 0.597 nan 8.190 nan 0.000 0.429 201 H N 3.430 122.322 119.070 -0.296 0.000 2.499 201 H HA 0.770 5.321 4.556 -0.008 0.000 0.340 201 H C -1.127 173.892 175.328 -0.516 0.000 1.148 201 H CA -0.345 55.445 56.048 -0.430 0.000 1.215 201 H CB 1.429 30.681 29.762 -0.849 0.000 1.529 201 H HN 0.507 nan 8.280 nan 0.000 0.510 202 F N 0.760 120.725 119.950 0.025 0.000 2.599 202 F HA 0.315 4.837 4.527 -0.008 0.000 0.311 202 F C -0.451 175.396 175.800 0.078 0.000 1.076 202 F CA -0.760 57.239 58.000 -0.001 0.000 0.937 202 F CB 1.013 39.900 39.000 -0.187 0.000 1.282 202 F HN 0.539 nan 8.300 nan 0.000 0.460 203 Y N 0.222 120.801 120.300 0.465 0.000 2.904 203 Y HA 0.004 4.549 4.550 -0.008 0.000 0.466 203 Y C 1.316 177.448 175.900 0.387 0.000 1.202 203 Y CA 0.609 58.907 58.100 0.330 0.000 2.492 203 Y CB -1.900 36.684 38.460 0.206 0.000 1.237 203 Y HN 1.307 nan 8.280 nan 0.000 0.633 204 G N 0.622 109.686 108.800 0.439 0.000 2.593 204 G HA2 0.128 4.083 3.960 -0.008 0.000 0.237 204 G HA3 0.128 4.083 3.960 -0.008 0.000 0.237 204 G C -0.572 174.538 174.900 0.350 0.000 1.312 204 G CA 0.890 46.171 45.100 0.302 0.000 0.896 204 G HN 1.380 nan 8.290 nan 0.000 0.574 205 R N -2.548 118.155 120.500 0.338 0.000 2.752 205 R HA 0.707 5.042 4.340 -0.008 0.000 0.271 205 R C -1.346 175.093 176.300 0.232 0.000 1.026 205 R CA -1.000 55.245 56.100 0.243 0.000 0.901 205 R CB 1.325 31.713 30.300 0.148 0.000 1.243 205 R HN 0.867 nan 8.270 nan 0.000 0.463 206 V N 0.885 120.854 119.914 0.091 0.000 2.394 206 V HA 0.343 4.458 4.120 -0.008 0.000 0.282 206 V C -0.176 175.878 176.094 -0.067 0.000 1.031 206 V CA -0.434 61.852 62.300 -0.024 0.000 0.881 206 V CB 1.261 33.001 31.823 -0.139 0.000 0.982 206 V HN 0.721 nan 8.190 nan 0.000 0.451 207 E N 2.963 123.097 120.200 -0.109 0.000 2.171 207 E HA 0.401 4.746 4.350 -0.008 0.000 0.271 207 E C -1.084 175.398 176.600 -0.197 0.000 0.916 207 E CA -0.717 55.637 56.400 -0.077 0.000 0.774 207 E CB 0.942 30.637 29.700 -0.010 0.000 1.128 207 E HN 0.704 nan 8.360 nan 0.000 0.403 208 H N 2.271 121.355 119.070 0.023 0.000 2.519 208 H HA 0.251 4.802 4.556 -0.008 0.000 0.316 208 H C -0.113 175.224 175.328 0.014 0.000 1.065 208 H CA -0.121 55.935 56.048 0.014 0.000 1.264 208 H CB 1.897 31.663 29.762 0.007 0.000 1.413 208 H HN 0.450 nan 8.280 nan 0.000 0.465 209 T N 0.518 115.137 114.554 0.107 0.000 2.718 209 T HA 0.181 4.526 4.350 -0.008 0.000 0.267 209 T C 1.310 176.049 174.700 0.065 0.000 0.957 209 T CA -0.344 61.797 62.100 0.069 0.000 1.025 209 T CB 1.052 69.943 68.868 0.038 0.000 1.355 209 T HN 0.513 nan 8.240 nan 0.000 0.572 210 S N 0.735 116.460 115.700 0.043 0.000 2.387 210 S HA -0.050 4.416 4.470 -0.008 0.000 0.226 210 S C 1.777 176.398 174.600 0.036 0.000 1.026 210 S CA 0.765 58.986 58.200 0.035 0.000 0.972 210 S CB -0.112 63.103 63.200 0.025 0.000 0.814 210 S HN 0.565 nan 8.310 nan 0.000 0.477 211 Q N 0.696 120.516 119.800 0.033 0.000 2.444 211 Q HA 0.293 4.628 4.340 -0.008 0.000 0.206 211 Q C 1.142 177.163 176.000 0.036 0.000 0.948 211 Q CA 0.451 56.272 55.803 0.030 0.000 0.946 211 Q CB -0.046 28.705 28.738 0.022 0.000 1.027 211 Q HN 0.554 nan 8.270 nan 0.000 0.513 212 G N 0.325 109.157 108.800 0.053 0.000 2.409 212 G HA2 -0.001 3.954 3.960 -0.008 0.000 0.421 212 G HA3 -0.001 3.954 3.960 -0.008 0.000 0.421 212 G C -0.907 174.023 174.900 0.051 0.000 1.259 212 G CA -0.607 44.536 45.100 0.072 0.000 1.011 212 G HN 0.371 nan 8.290 nan 0.000 0.497 213 A N -0.058 122.774 122.820 0.020 0.000 2.445 213 A HA 0.630 4.945 4.320 -0.008 0.000 0.242 213 A C 0.332 177.855 177.584 -0.102 0.000 1.075 213 A CA 0.549 52.494 52.037 -0.154 0.000 0.777 213 A CB 0.401 19.290 19.000 -0.185 0.000 1.013 213 A HN 0.718 nan 8.150 nan 0.000 0.493 214 K N 1.272 121.599 120.400 -0.122 0.000 2.541 214 K HA 0.153 4.468 4.320 -0.008 0.000 0.250 214 K C -1.775 174.858 176.600 0.054 0.000 0.950 214 K CA -0.218 56.054 56.287 -0.024 0.000 0.805 214 K CB 1.780 34.269 32.500 -0.017 0.000 1.166 214 K HN 0.775 nan 8.250 nan 0.000 0.430 215 W N 5.410 126.627 121.300 -0.140 0.000 2.332 215 W HA 0.365 5.020 4.660 -0.008 0.000 0.306 215 W C -0.356 176.100 176.519 -0.106 0.000 1.149 215 W CA -0.839 56.431 57.345 -0.126 0.000 1.271 215 W CB 0.141 29.512 29.460 -0.149 0.000 1.243 215 W HN 0.303 nan 8.180 nan 0.000 0.459 216 V N 2.614 122.593 119.914 0.109 0.000 3.158 216 V HA 0.587 4.702 4.120 -0.008 0.000 0.311 216 V C -0.109 175.965 176.094 -0.033 0.000 1.181 216 V CA -0.986 61.293 62.300 -0.034 0.000 1.054 216 V CB 1.890 33.719 31.823 0.011 0.000 1.085 216 V HN 0.477 nan 8.190 nan 0.000 0.446 217 D N 0.403 120.785 120.400 -0.031 0.000 2.708 217 D HA -0.146 4.489 4.640 -0.008 0.000 0.236 217 D C 0.554 176.860 176.300 0.010 0.000 1.146 217 D CA 1.514 55.517 54.000 0.005 0.000 0.662 217 D CB -1.586 39.239 40.800 0.042 0.000 1.059 217 D HN 1.284 nan 8.370 nan 0.000 0.428 218 T N -3.021 111.489 114.554 -0.073 0.000 2.918 218 T HA 0.391 4.736 4.350 -0.008 0.000 0.283 218 T C 0.269 175.007 174.700 0.063 0.000 1.001 218 T CA -0.865 61.201 62.100 -0.057 0.000 1.041 218 T CB 2.728 71.366 68.868 -0.382 0.000 1.028 218 T HN 0.196 nan 8.240 nan 0.000 0.511 219 Q N 1.176 121.081 119.800 0.176 0.000 2.261 219 Q HA 0.507 4.843 4.340 -0.008 0.000 0.252 219 Q C -1.383 174.706 176.000 0.147 0.000 0.915 219 Q CA -0.785 55.133 55.803 0.191 0.000 0.915 219 Q CB 1.046 29.979 28.738 0.324 0.000 1.204 219 Q HN 0.623 nan 8.270 nan 0.000 0.421 220 V N 4.262 124.215 119.914 0.066 0.000 2.483 220 V HA 0.483 4.598 4.120 -0.008 0.000 0.295 220 V C -0.499 175.629 176.094 0.058 0.000 1.035 220 V CA -0.648 61.630 62.300 -0.036 0.000 0.896 220 V CB 1.804 33.552 31.823 -0.126 0.000 0.986 220 V HN 0.648 nan 8.190 nan 0.000 0.447 221 V N 5.694 125.663 119.914 0.092 0.000 2.656 221 V HA 0.492 4.607 4.120 -0.008 0.000 0.307 221 V C -0.293 175.894 176.094 0.154 0.000 1.051 221 V CA -0.602 61.799 62.300 0.169 0.000 0.893 221 V CB 2.011 34.020 31.823 0.310 0.000 0.999 221 V HN 0.637 nan 8.190 nan 0.000 0.426 222 L N 3.472 124.792 121.223 0.161 0.000 2.357 222 L HA 0.787 5.122 4.340 -0.008 0.000 0.273 222 L C 0.394 177.448 176.870 0.306 0.000 1.080 222 L CA -0.422 54.512 54.840 0.157 0.000 0.803 222 L CB 1.433 43.566 42.059 0.123 0.000 1.174 222 L HN 0.748 nan 8.230 nan 0.000 0.443 223 A N 4.740 127.681 122.820 0.202 0.000 2.285 223 A HA 0.597 4.912 4.320 -0.008 0.000 0.310 223 A C -0.544 177.323 177.584 0.473 0.000 1.266 223 A CA -0.460 51.730 52.037 0.255 0.000 0.832 223 A CB 1.004 19.710 19.000 -0.489 0.000 1.163 223 A HN 0.786 nan 8.150 nan 0.000 0.499 224 M N 6.194 126.127 119.600 0.555 0.000 2.129 224 M HA 0.454 4.929 4.480 -0.008 0.000 0.348 224 M C -2.595 173.956 176.300 0.419 0.000 1.116 224 M CA -2.137 53.425 55.300 0.438 0.000 1.022 224 M CB 2.138 34.919 32.600 0.300 0.000 1.599 224 M HN 0.392 nan 8.290 nan 0.000 0.449 225 P HA 0.242 nan 4.420 nan 0.000 0.286 225 P C -1.951 175.239 177.300 -0.183 0.000 1.261 225 P CA -0.138 62.804 63.100 -0.262 0.000 0.821 225 P CB 0.740 32.012 31.700 -0.713 0.000 1.013 226 Y N 0.626 120.810 120.300 -0.192 0.000 2.326 226 Y HA 0.276 4.821 4.550 -0.008 0.000 0.329 226 Y C 0.181 176.020 175.900 -0.101 0.000 0.973 226 Y CA -0.354 57.696 58.100 -0.084 0.000 1.162 226 Y CB 1.276 39.731 38.460 -0.009 0.000 1.147 226 Y HN 0.212 nan 8.280 nan 0.000 0.456 227 D N 2.147 122.583 120.400 0.059 0.000 2.210 227 D HA 0.380 5.015 4.640 -0.008 0.000 0.249 227 D C -0.455 176.019 176.300 0.289 0.000 1.078 227 D CA -0.103 53.972 54.000 0.124 0.000 0.875 227 D CB 1.730 42.607 40.800 0.128 0.000 1.175 227 D HN 0.358 nan 8.370 nan 0.000 0.440 228 T N 3.097 117.747 114.554 0.160 0.000 2.824 228 T HA 0.441 4.786 4.350 -0.008 0.000 0.282 228 T C -2.497 172.048 174.700 -0.258 0.000 0.993 228 T CA -1.420 60.701 62.100 0.036 0.000 0.967 228 T CB 2.140 71.016 68.868 0.013 0.000 0.960 228 T HN 0.190 nan 8.240 nan 0.000 0.441 229 P HA 0.319 nan 4.420 nan 0.000 0.275 229 P C -1.041 175.904 177.300 -0.591 0.000 1.227 229 P CA -0.382 62.012 63.100 -1.178 0.000 0.781 229 P CB 0.911 31.661 31.700 -1.582 0.000 0.906 230 V N 5.228 124.847 119.914 -0.492 0.000 2.340 230 V HA 0.255 4.370 4.120 -0.008 0.000 0.277 230 V C -2.046 173.899 176.094 -0.248 0.000 1.017 230 V CA -1.898 60.222 62.300 -0.300 0.000 0.820 230 V CB 1.485 33.181 31.823 -0.211 0.000 1.028 230 V HN 0.557 nan 8.190 nan 0.000 0.436 231 P HA 0.243 nan 4.420 nan 0.000 0.281 231 P C 0.366 177.613 177.300 -0.089 0.000 1.252 231 P CA 0.348 63.354 63.100 -0.157 0.000 0.778 231 P CB 1.681 33.287 31.700 -0.156 0.000 0.895 232 G N 2.550 111.315 108.800 -0.058 0.000 2.599 232 G HA2 0.138 4.094 3.960 -0.008 0.000 0.264 232 G HA3 0.138 4.094 3.960 -0.008 0.000 0.264 232 G C -1.205 173.708 174.900 0.021 0.000 1.200 232 G CA -0.583 44.513 45.100 -0.006 0.000 0.896 232 G HN 0.533 nan 8.290 nan 0.000 0.536 233 Y N 0.414 120.677 120.300 -0.060 0.000 2.486 233 Y HA 0.304 4.849 4.550 -0.009 0.000 0.348 233 Y C 1.228 177.093 175.900 -0.058 0.000 1.000 233 Y CA -0.339 57.721 58.100 -0.066 0.000 1.253 233 Y CB 0.297 38.716 38.460 -0.068 0.000 1.140 233 Y HN 0.690 nan 8.280 nan 0.000 0.526 234 R N 2.788 122.954 120.500 -0.558 0.000 3.722 234 R HA -0.321 4.014 4.340 -0.008 0.000 0.284 234 R C 0.032 176.192 176.300 -0.234 0.000 1.165 234 R CA 1.541 57.356 56.100 -0.475 0.000 0.779 234 R CB -1.919 27.944 30.300 -0.729 0.000 1.179 234 R HN 0.943 nan 8.270 nan 0.000 0.491 235 N N -1.483 117.134 118.700 -0.139 0.000 2.177 235 N HA 0.065 4.801 4.740 -0.008 0.000 0.218 235 N C -0.202 175.266 175.510 -0.070 0.000 1.182 235 N CA -0.297 52.706 53.050 -0.079 0.000 0.882 235 N CB 0.512 38.980 38.487 -0.032 0.000 1.052 235 N HN 0.090 nan 8.380 nan 0.000 0.519 236 N N -0.160 118.493 118.700 -0.079 0.000 2.800 236 N HA -0.130 4.605 4.740 -0.008 0.000 0.250 236 N C -1.039 174.437 175.510 -0.058 0.000 1.078 236 N CA 0.579 53.590 53.050 -0.064 0.000 0.804 236 N CB -1.212 37.237 38.487 -0.064 0.000 1.135 236 N HN 0.181 nan 8.380 nan 0.000 0.565 237 V N 1.170 121.054 119.914 -0.049 0.000 2.439 237 V HA 0.473 4.588 4.120 -0.008 0.000 0.282 237 V C 0.527 176.592 176.094 -0.048 0.000 1.039 237 V CA -0.525 61.754 62.300 -0.035 0.000 0.913 237 V CB 2.244 34.073 31.823 0.010 0.000 0.983 237 V HN -0.053 nan 8.190 nan 0.000 0.460 238 V N 5.579 125.465 119.914 -0.046 0.000 2.419 238 V HA 0.352 4.467 4.120 -0.008 0.000 0.287 238 V C 0.110 176.166 176.094 -0.065 0.000 1.017 238 V CA -0.738 61.493 62.300 -0.115 0.000 0.844 238 V CB 1.179 32.907 31.823 -0.158 0.000 1.011 238 V HN 0.929 nan 8.190 nan 0.000 0.429 239 N N 2.037 120.676 118.700 -0.101 0.000 2.418 239 N HA 0.586 5.321 4.740 -0.008 0.000 0.283 239 N C -0.376 175.076 175.510 -0.096 0.000 1.267 239 N CA -0.549 52.462 53.050 -0.065 0.000 0.975 239 N CB 0.942 39.361 38.487 -0.113 0.000 1.167 239 N HN 0.552 nan 8.380 nan 0.000 0.581 240 T N 0.871 115.384 114.554 -0.070 0.000 2.876 240 T HA 0.369 4.714 4.350 -0.008 0.000 0.289 240 T C -0.796 173.848 174.700 -0.093 0.000 1.014 240 T CA -0.512 61.607 62.100 0.032 0.000 0.986 240 T CB 1.258 70.279 68.868 0.256 0.000 1.021 240 T HN 0.331 nan 8.240 nan 0.000 0.458 241 M N 3.446 122.962 119.600 -0.140 0.000 2.078 241 M HA 0.520 4.995 4.480 -0.008 0.000 0.320 241 M C -0.693 175.443 176.300 -0.274 0.000 0.969 241 M CA -0.749 54.383 55.300 -0.279 0.000 0.929 241 M CB 0.924 33.314 32.600 -0.351 0.000 1.504 241 M HN 0.499 nan 8.290 nan 0.000 0.419 242 R N 4.769 125.006 120.500 -0.438 0.000 2.265 242 R HA 0.557 4.892 4.340 -0.008 0.000 0.328 242 R C -1.981 174.050 176.300 -0.449 0.000 0.969 242 R CA -0.586 55.220 56.100 -0.490 0.000 0.832 242 R CB 0.923 30.782 30.300 -0.735 0.000 1.139 242 R HN 0.640 nan 8.270 nan 0.000 0.457 243 L N 5.608 126.654 121.223 -0.295 0.000 2.313 243 L HA 0.458 4.793 4.340 -0.008 0.000 0.283 243 L C -0.983 175.831 176.870 -0.093 0.000 1.013 243 L CA -0.515 54.248 54.840 -0.127 0.000 0.816 243 L CB 1.094 43.152 42.059 -0.001 0.000 1.236 243 L HN 0.620 nan 8.230 nan 0.000 0.419 244 W N 2.315 123.724 121.300 0.180 0.000 2.316 244 W HA 0.582 5.237 4.660 -0.008 0.000 0.321 244 W C 0.583 177.308 176.519 0.343 0.000 1.203 244 W CA -0.202 57.268 57.345 0.209 0.000 1.214 244 W CB 1.333 30.779 29.460 -0.025 0.000 1.169 244 W HN 0.443 nan 8.180 nan 0.000 0.561 245 S N 1.725 117.825 115.700 0.667 0.000 2.500 245 S HA 0.764 5.229 4.470 -0.008 0.000 0.301 245 S C -0.581 174.371 174.600 0.588 0.000 1.092 245 S CA -0.742 57.762 58.200 0.506 0.000 1.030 245 S CB 0.658 64.091 63.200 0.389 0.000 1.031 245 S HN 0.538 nan 8.310 nan 0.000 0.483 246 A N 5.043 128.065 122.820 0.337 0.000 2.362 246 A HA 0.669 4.984 4.320 -0.008 0.000 0.276 246 A C -0.212 177.467 177.584 0.158 0.000 1.153 246 A CA -0.318 51.818 52.037 0.166 0.000 0.813 246 A CB 0.321 19.136 19.000 -0.307 0.000 1.081 246 A HN 0.687 nan 8.150 nan 0.000 0.507 247 K N 1.090 121.603 120.400 0.187 0.000 2.426 247 K HA 0.651 4.966 4.320 -0.008 0.000 0.251 247 K C -0.466 176.197 176.600 0.105 0.000 0.941 247 K CA -0.492 55.878 56.287 0.138 0.000 0.808 247 K CB 2.436 35.031 32.500 0.158 0.000 1.265 247 K HN 0.777 nan 8.250 nan 0.000 0.432 248 A N 3.163 126.026 122.820 0.072 0.000 2.316 248 A HA 0.580 4.895 4.320 -0.008 0.000 0.284 248 A C -2.270 175.346 177.584 0.053 0.000 1.115 248 A CA -1.229 50.842 52.037 0.056 0.000 0.812 248 A CB -0.122 18.899 19.000 0.035 0.000 1.064 248 A HN 0.323 nan 8.150 nan 0.000 0.489 249 P HA 0.198 nan 4.420 nan 0.000 0.272 249 P C 0.174 177.494 177.300 0.033 0.000 1.240 249 P CA -0.288 62.834 63.100 0.037 0.000 0.791 249 P CB 0.503 32.220 31.700 0.027 0.000 0.978 250 N N -0.466 118.253 118.700 0.032 0.000 2.415 250 N HA -0.045 4.690 4.740 -0.008 0.000 0.176 250 N C 0.447 175.977 175.510 0.033 0.000 1.042 250 N CA 0.102 53.172 53.050 0.032 0.000 0.902 250 N CB 0.019 38.526 38.487 0.034 0.000 0.986 250 N HN 0.625 nan 8.380 nan 0.000 0.447 262 Y N 2.040 122.343 120.300 0.004 0.000 2.145 262 Y HA 0.018 4.563 4.550 -0.008 0.000 0.286 262 Y C 2.678 178.582 175.900 0.006 0.000 1.145 262 Y CA 2.039 60.142 58.100 0.005 0.000 1.148 262 Y CB -0.109 38.354 38.460 0.005 0.000 0.981 262 Y HN 0.186 nan 8.280 nan 0.000 0.507 263 I N 0.369 120.858 120.570 -0.136 0.000 2.142 263 I HA -0.303 3.862 4.170 -0.008 0.000 0.240 263 I C 2.390 178.395 176.117 -0.187 0.000 1.078 263 I CA 1.468 62.647 61.300 -0.201 0.000 1.343 263 I CB -1.483 36.502 38.000 -0.026 0.000 1.046 263 I HN 0.340 nan 8.210 nan 0.000 0.405 264 Q N 0.568 120.309 119.800 -0.099 0.000 2.096 264 Q HA -0.162 4.173 4.340 -0.008 0.000 0.204 264 Q C 2.369 178.314 176.000 -0.092 0.000 0.982 264 Q CA 1.972 57.731 55.803 -0.074 0.000 0.850 264 Q CB -0.375 28.341 28.738 -0.036 0.000 0.901 264 Q HN 0.561 nan 8.270 nan 0.000 0.422 265 A N -0.053 122.698 122.820 -0.115 0.000 1.902 265 A HA -0.138 4.177 4.320 -0.008 0.000 0.217 265 A C 2.415 179.918 177.584 -0.134 0.000 1.181 265 A CA 1.638 53.614 52.037 -0.102 0.000 0.623 265 A CB -0.652 18.298 19.000 -0.084 0.000 0.818 265 A HN 0.229 nan 8.150 nan 0.000 0.443 266 V N 0.161 119.933 119.914 -0.238 0.000 2.358 266 V HA -0.228 3.887 4.120 -0.008 0.000 0.246 266 V C 2.515 178.538 176.094 -0.119 0.000 1.047 266 V CA 1.878 64.052 62.300 -0.211 0.000 1.035 266 V CB -0.699 30.923 31.823 -0.336 0.000 0.658 266 V HN 0.574 nan 8.190 nan 0.000 0.452 267 L N -0.312 120.845 121.223 -0.110 0.000 2.201 267 L HA -0.121 4.214 4.340 -0.008 0.000 0.212 267 L C 1.957 178.802 176.870 -0.042 0.000 1.105 267 L CA 1.116 55.919 54.840 -0.062 0.000 0.775 267 L CB -0.674 41.352 42.059 -0.054 0.000 0.913 267 L HN 0.325 nan 8.230 nan 0.000 0.440 268 D N 0.195 120.568 120.400 -0.046 0.000 2.378 268 D HA -0.074 4.562 4.640 -0.008 0.000 0.227 268 D C 2.085 178.373 176.300 -0.020 0.000 1.012 268 D CA 0.484 54.466 54.000 -0.029 0.000 0.905 268 D CB 0.008 40.791 40.800 -0.029 0.000 0.895 268 D HN 0.271 nan 8.370 nan 0.000 0.532 269 R N 0.402 120.889 120.500 -0.022 0.000 2.189 269 R HA -0.001 4.334 4.340 -0.008 0.000 0.223 269 R C 1.582 177.883 176.300 0.001 0.000 1.092 269 R CA 0.471 56.566 56.100 -0.008 0.000 0.989 269 R CB -0.002 30.293 30.300 -0.008 0.000 0.876 269 R HN 0.133 nan 8.270 nan 0.000 0.457 270 N N 0.549 119.248 118.700 -0.001 0.000 2.381 270 N HA -0.119 4.616 4.740 -0.008 0.000 0.182 270 N C 1.442 176.955 175.510 0.005 0.000 1.025 270 N CA 0.908 53.963 53.050 0.009 0.000 0.888 270 N CB 0.024 38.517 38.487 0.011 0.000 0.965 270 N HN 0.096 nan 8.380 nan 0.000 0.438 271 L N 1.171 122.392 121.223 -0.003 0.000 2.017 271 L HA -0.069 4.266 4.340 -0.008 0.000 0.208 271 L C 2.415 179.272 176.870 -0.021 0.000 1.073 271 L CA 1.331 56.166 54.840 -0.008 0.000 0.745 271 L CB -1.097 40.956 42.059 -0.008 0.000 0.894 271 L HN 0.087 nan 8.230 nan 0.000 0.432 272 A N -0.823 121.987 122.820 -0.017 0.000 1.930 272 A HA -0.149 4.166 4.320 -0.008 0.000 0.217 272 A C 2.073 179.626 177.584 -0.052 0.000 1.175 272 A CA 1.242 53.260 52.037 -0.032 0.000 0.627 272 A CB -0.430 18.573 19.000 0.006 0.000 0.815 272 A HN 0.535 nan 8.150 nan 0.000 0.443 273 E N 0.146 120.334 120.200 -0.019 0.000 2.482 273 E HA -0.043 4.302 4.350 -0.008 0.000 0.196 273 E C 0.646 177.243 176.600 -0.006 0.000 1.047 273 E CA 0.059 56.453 56.400 -0.010 0.000 0.869 273 E CB -0.126 29.590 29.700 0.027 0.000 0.836 273 E HN 0.444 nan 8.360 nan 0.000 0.520 274 N N 0.878 119.573 118.700 -0.008 0.000 2.515 274 N HA -0.004 4.731 4.740 -0.008 0.000 0.185 274 N C 1.529 177.048 175.510 0.014 0.000 1.109 274 N CA 0.426 53.490 53.050 0.024 0.000 0.903 274 N CB 0.101 38.601 38.487 0.022 0.000 0.969 274 N HN 0.284 nan 8.380 nan 0.000 0.450 275 I N 0.227 120.750 120.570 -0.079 0.000 2.286 275 I HA -0.200 3.965 4.170 -0.008 0.000 0.248 275 I C 1.420 177.520 176.117 -0.028 0.000 1.115 275 I CA 1.086 62.308 61.300 -0.130 0.000 1.392 275 I CB -0.113 37.639 38.000 -0.415 0.000 1.065 275 I HN 0.097 nan 8.210 nan 0.000 0.418 276 S N -0.451 115.234 115.700 -0.026 0.000 2.575 276 S HA 0.182 4.647 4.470 -0.008 0.000 0.237 276 S C 1.492 176.239 174.600 0.244 0.000 0.975 276 S CA -0.528 57.745 58.200 0.121 0.000 0.960 276 S CB 0.231 63.488 63.200 0.095 0.000 0.822 276 S HN 0.193 nan 8.310 nan 0.000 0.472 277 R N 1.299 121.940 120.500 0.234 0.000 2.062 277 R HA 0.275 4.610 4.340 -0.008 0.000 0.229 277 R C 0.427 176.975 176.300 0.414 0.000 1.128 277 R CA 1.173 57.448 56.100 0.290 0.000 0.960 277 R CB -0.217 30.221 30.300 0.230 0.000 0.855 277 R HN 0.402 nan 8.270 nan 0.000 0.432 278 V N 0.315 120.429 119.914 0.333 0.000 2.932 278 V HA 0.373 4.489 4.120 -0.008 0.000 0.307 278 V C -1.654 174.390 176.094 -0.084 0.000 1.147 278 V CA -1.389 61.026 62.300 0.192 0.000 0.951 278 V CB 1.788 33.656 31.823 0.075 0.000 1.031 278 V HN 0.148 nan 8.190 nan 0.000 0.426 279 L N 6.704 127.650 121.223 -0.462 0.000 2.360 279 L HA 0.498 4.833 4.340 -0.008 0.000 0.276 279 L C -0.870 175.836 176.870 -0.274 0.000 1.121 279 L CA 0.392 54.753 54.840 -0.799 0.000 0.845 279 L CB 0.516 42.019 42.059 -0.927 0.000 1.143 279 L HN 0.687 nan 8.230 nan 0.000 0.452 280 Y N 7.014 127.220 120.300 -0.156 0.000 2.569 280 Y HA 0.184 4.729 4.550 -0.008 0.000 0.332 280 Y C -1.302 174.589 175.900 -0.015 0.000 1.120 280 Y CA -1.233 56.852 58.100 -0.024 0.000 1.416 280 Y CB 0.340 38.815 38.460 0.027 0.000 1.210 280 Y HN 0.584 nan 8.280 nan 0.000 0.528 281 P HA -0.046 nan 4.420 nan 0.000 0.258 281 P C -0.761 176.663 177.300 0.207 0.000 1.403 281 P CA 0.292 63.486 63.100 0.156 0.000 0.826 281 P CB 0.122 31.994 31.700 0.287 0.000 1.414 282 N N 1.507 120.347 118.700 0.233 0.000 2.444 282 N HA 0.120 4.855 4.740 -0.008 0.000 0.271 282 N C -0.587 175.073 175.510 0.251 0.000 1.069 282 N CA 0.206 53.420 53.050 0.273 0.000 0.965 282 N CB 0.952 39.638 38.487 0.332 0.000 1.092 282 N HN 0.063 nan 8.380 nan 0.000 0.476 283 D N 1.499 122.072 120.400 0.288 0.000 2.441 283 D HA 0.198 4.833 4.640 -0.008 0.000 0.231 283 D C -0.499 176.016 176.300 0.358 0.000 1.073 283 D CA -0.344 53.824 54.000 0.280 0.000 0.850 283 D CB 0.043 41.003 40.800 0.267 0.000 1.062 283 D HN 0.306 nan 8.370 nan 0.000 0.524 284 N N 3.169 122.048 118.700 0.299 0.000 2.756 284 N HA -0.242 4.493 4.740 -0.008 0.000 0.248 284 N C -1.388 174.370 175.510 0.412 0.000 1.062 284 N CA 0.674 53.892 53.050 0.280 0.000 0.696 284 N CB -1.043 37.558 38.487 0.191 0.000 0.946 284 N HN 0.395 nan 8.380 nan 0.000 0.548 285 F N 0.539 120.605 119.950 0.194 0.000 2.622 285 F HA 0.441 4.963 4.527 -0.008 0.000 0.318 285 F C -1.206 174.698 175.800 0.172 0.000 1.135 285 F CA -1.098 56.999 58.000 0.161 0.000 1.015 285 F CB 0.947 40.016 39.000 0.116 0.000 1.275 285 F HN -0.007 nan 8.300 nan 0.000 0.457 286 F N 5.635 125.203 119.950 -0.636 0.000 2.394 286 F HA 0.519 5.041 4.527 -0.008 0.000 0.340 286 F C -0.349 175.101 175.800 -0.584 0.000 1.105 286 F CA -0.115 57.575 58.000 -0.517 0.000 1.124 286 F CB 0.740 39.447 39.000 -0.488 0.000 1.145 286 F HN 0.390 nan 8.300 nan 0.000 0.505 287 E N 4.411 123.999 120.200 -1.020 0.000 2.235 287 E HA 0.172 4.517 4.350 -0.008 0.000 0.252 287 E C -0.154 175.691 176.600 -1.259 0.000 0.886 287 E CA -0.441 55.448 56.400 -0.852 0.000 0.767 287 E CB 1.646 31.197 29.700 -0.249 0.000 1.205 287 E HN 0.922 nan 8.360 nan 0.000 0.421 288 G N 3.791 111.768 108.800 -1.372 0.000 3.263 288 G HA2 -0.036 3.920 3.960 -0.008 0.000 0.246 288 G HA3 -0.036 3.920 3.960 -0.008 0.000 0.246 288 G C 0.423 175.261 174.900 -0.102 0.000 0.982 288 G CA -0.040 44.503 45.100 -0.927 0.000 1.897 288 G HN 0.021 nan 8.290 nan 0.000 0.624 289 K N 0.294 120.683 120.400 -0.019 0.000 2.144 289 K HA 0.169 4.484 4.320 -0.008 0.000 0.270 289 K C 0.962 177.705 176.600 0.239 0.000 1.005 289 K CA -0.568 55.795 56.287 0.128 0.000 0.932 289 K CB 2.064 34.638 32.500 0.124 0.000 1.021 289 K HN 0.379 nan 8.250 nan 0.000 0.462 290 E N 1.462 121.764 120.200 0.171 0.000 2.051 290 E HA -0.204 4.141 4.350 -0.008 0.000 0.192 290 E C 1.609 178.240 176.600 0.051 0.000 0.991 290 E CA 0.907 57.363 56.400 0.095 0.000 0.799 290 E CB 0.118 29.873 29.700 0.092 0.000 0.748 290 E HN 0.399 nan 8.360 nan 0.000 0.449 291 L N 1.457 122.751 121.223 0.118 0.000 2.043 291 L HA -0.216 4.120 4.340 -0.008 0.000 0.212 291 L C 2.453 179.412 176.870 0.149 0.000 1.075 291 L CA 1.917 56.845 54.840 0.146 0.000 0.752 291 L CB -0.564 41.660 42.059 0.275 0.000 0.891 291 L HN 0.027 nan 8.230 nan 0.000 0.432 292 R N -0.703 119.832 120.500 0.057 0.000 2.096 292 R HA -0.165 4.170 4.340 -0.008 0.000 0.235 292 R C 2.109 178.441 176.300 0.053 0.000 1.127 292 R CA 1.899 57.953 56.100 -0.077 0.000 0.968 292 R CB -0.971 29.094 30.300 -0.392 0.000 0.861 292 R HN 0.426 nan 8.270 nan 0.000 0.440 293 L N 0.839 121.999 121.223 -0.106 0.000 2.056 293 L HA -0.047 4.288 4.340 -0.008 0.000 0.207 293 L C 1.736 178.546 176.870 -0.100 0.000 1.078 293 L CA 1.895 56.469 54.840 -0.443 0.000 0.749 293 L CB -0.441 41.056 42.059 -0.937 0.000 0.901 293 L HN 0.140 nan 8.230 nan 0.000 0.433 294 K N -0.877 119.510 120.400 -0.022 0.000 2.103 294 K HA -0.221 4.094 4.320 -0.008 0.000 0.207 294 K C 2.085 178.851 176.600 0.277 0.000 1.048 294 K CA 1.882 58.240 56.287 0.119 0.000 0.930 294 K CB -0.182 32.195 32.500 -0.205 0.000 0.716 294 K HN 0.542 nan 8.250 nan 0.000 0.444 295 Q N 0.545 120.466 119.800 0.203 0.000 2.046 295 Q HA -0.171 4.164 4.340 -0.008 0.000 0.200 295 Q C 1.953 178.146 176.000 0.321 0.000 0.975 295 Q CA 1.343 57.320 55.803 0.290 0.000 0.836 295 Q CB -0.014 28.913 28.738 0.315 0.000 0.896 295 Q HN 0.382 nan 8.270 nan 0.000 0.428 296 E N -0.114 120.228 120.200 0.237 0.000 2.077 296 E HA -0.219 4.126 4.350 -0.008 0.000 0.193 296 E C 1.718 178.431 176.600 0.189 0.000 0.989 296 E CA 1.094 57.617 56.400 0.206 0.000 0.800 296 E CB -0.124 29.674 29.700 0.163 0.000 0.746 296 E HN 0.321 nan 8.360 nan 0.000 0.452 297 Y N 0.232 120.573 120.300 0.069 0.000 2.263 297 Y HA -0.173 4.372 4.550 -0.008 0.000 0.292 297 Y C 1.927 177.851 175.900 0.040 0.000 1.130 297 Y CA 0.878 58.970 58.100 -0.014 0.000 1.179 297 Y CB -0.345 38.063 38.460 -0.086 0.000 0.998 297 Y HN 0.011 nan 8.280 nan 0.000 0.532 298 F N -0.288 119.636 119.950 -0.044 0.000 2.069 298 F HA -0.236 4.286 4.527 -0.008 0.000 0.298 298 F C 2.467 178.112 175.800 -0.258 0.000 1.113 298 F CA 2.032 59.956 58.000 -0.126 0.000 1.214 298 F CB -1.045 38.043 39.000 0.147 0.000 0.978 298 F HN -0.073 nan 8.300 nan 0.000 0.474 299 V N -0.482 119.400 119.914 -0.053 0.000 2.515 299 V HA -0.186 3.929 4.120 -0.008 0.000 0.250 299 V C 2.150 178.096 176.094 -0.247 0.000 1.058 299 V CA 1.837 64.061 62.300 -0.127 0.000 1.064 299 V CB -0.339 31.605 31.823 0.202 0.000 0.675 299 V HN 0.267 nan 8.190 nan 0.000 0.461 300 V N 0.367 120.143 119.914 -0.229 0.000 2.307 300 V HA -0.145 3.970 4.120 -0.008 0.000 0.245 300 V C 2.792 178.640 176.094 -0.410 0.000 1.045 300 V CA 2.070 64.225 62.300 -0.242 0.000 1.024 300 V CB -0.983 30.763 31.823 -0.130 0.000 0.651 300 V HN 0.632 nan 8.190 nan 0.000 0.449 301 A N -0.190 122.223 122.820 -0.678 0.000 1.898 301 A HA -0.070 4.245 4.320 -0.008 0.000 0.216 301 A C 2.386 179.602 177.584 -0.613 0.000 1.181 301 A CA 2.007 53.641 52.037 -0.672 0.000 0.620 301 A CB -0.751 17.634 19.000 -1.024 0.000 0.819 301 A HN 0.552 nan 8.150 nan 0.000 0.442 302 A N -1.020 121.271 122.820 -0.883 0.000 1.898 302 A HA -0.049 4.266 4.320 -0.008 0.000 0.216 302 A C 2.306 179.382 177.584 -0.847 0.000 1.181 302 A CA 2.221 53.547 52.037 -1.184 0.000 0.620 302 A CB -1.242 16.407 19.000 -2.252 0.000 0.819 302 A HN 0.418 nan 8.150 nan 0.000 0.442 303 T N 0.566 114.757 114.554 -0.606 0.000 2.708 303 T HA -0.101 4.244 4.350 -0.008 0.000 0.266 303 T C 1.828 176.271 174.700 -0.430 0.000 1.037 303 T CA 1.471 63.340 62.100 -0.385 0.000 1.146 303 T CB -0.403 68.226 68.868 -0.398 0.000 0.865 303 T HN 0.343 nan 8.240 nan 0.000 0.435 304 L N 0.744 121.758 121.223 -0.349 0.000 2.042 304 L HA -0.180 4.155 4.340 -0.008 0.000 0.210 304 L C 2.935 179.699 176.870 -0.176 0.000 1.076 304 L CA 1.449 56.137 54.840 -0.252 0.000 0.749 304 L CB -0.564 41.383 42.059 -0.188 0.000 0.893 304 L HN 0.360 nan 8.230 nan 0.000 0.432 305 Q N -0.592 119.103 119.800 -0.176 0.000 2.084 305 Q HA -0.251 4.085 4.340 -0.008 0.000 0.202 305 Q C 1.788 177.779 176.000 -0.015 0.000 0.978 305 Q CA 1.702 57.454 55.803 -0.085 0.000 0.844 305 Q CB -0.154 28.517 28.738 -0.111 0.000 0.898 305 Q HN 0.402 nan 8.270 nan 0.000 0.426 306 D N 0.556 120.948 120.400 -0.014 0.000 2.144 306 D HA -0.094 4.541 4.640 -0.008 0.000 0.199 306 D C 1.677 177.977 176.300 -0.001 0.000 0.984 306 D CA 0.824 54.889 54.000 0.107 0.000 0.834 306 D CB -0.011 40.950 40.800 0.268 0.000 0.955 306 D HN 0.170 nan 8.370 nan 0.000 0.465 307 I N 0.124 120.572 120.570 -0.203 0.000 2.142 307 I HA -0.238 3.927 4.170 -0.008 0.000 0.240 307 I C 2.323 178.474 176.117 0.056 0.000 1.078 307 I CA 0.760 61.876 61.300 -0.307 0.000 1.343 307 I CB -0.160 37.512 38.000 -0.547 0.000 1.046 307 I HN 0.032 nan 8.210 nan 0.000 0.405 308 I N 0.320 120.978 120.570 0.147 0.000 2.226 308 I HA -0.305 3.860 4.170 -0.008 0.000 0.245 308 I C 2.805 179.113 176.117 0.319 0.000 1.100 308 I CA 1.203 62.709 61.300 0.344 0.000 1.374 308 I CB -0.465 37.680 38.000 0.242 0.000 1.057 308 I HN 0.223 nan 8.210 nan 0.000 0.413 309 R N 1.402 122.017 120.500 0.192 0.000 2.094 309 R HA -0.249 4.086 4.340 -0.008 0.000 0.239 309 R C 2.496 178.902 176.300 0.177 0.000 1.137 309 R CA 1.995 58.191 56.100 0.161 0.000 0.943 309 R CB -0.346 30.034 30.300 0.134 0.000 0.850 309 R HN 0.201 nan 8.270 nan 0.000 0.433 310 R N -0.648 119.969 120.500 0.195 0.000 2.120 310 R HA -0.171 4.164 4.340 -0.008 0.000 0.234 310 R C 2.129 178.561 176.300 0.221 0.000 1.123 310 R CA 1.611 57.834 56.100 0.205 0.000 0.975 310 R CB -0.348 30.069 30.300 0.195 0.000 0.866 310 R HN 0.309 nan 8.270 nan 0.000 0.446 311 F N 1.460 121.477 119.950 0.110 0.000 2.084 311 F HA -0.067 4.456 4.527 -0.008 0.000 0.296 311 F C 1.521 177.350 175.800 0.048 0.000 1.111 311 F CA 1.481 59.536 58.000 0.091 0.000 1.224 311 F CB -0.123 38.993 39.000 0.192 0.000 0.991 311 F HN -0.166 nan 8.300 nan 0.000 0.471 312 K N -0.114 120.230 120.400 -0.094 0.000 2.520 312 K HA -0.053 4.262 4.320 -0.008 0.000 0.197 312 K C 0.783 177.270 176.600 -0.188 0.000 1.043 312 K CA 0.970 57.111 56.287 -0.242 0.000 0.944 312 K CB -0.372 32.113 32.500 -0.025 0.000 0.770 312 K HN 0.121 nan 8.250 nan 0.000 0.480 313 S N 0.963 116.607 115.700 -0.094 0.000 2.489 313 S HA 0.180 4.645 4.470 -0.008 0.000 0.237 313 S C -0.435 174.136 174.600 -0.050 0.000 1.220 313 S CA -0.430 57.761 58.200 -0.014 0.000 1.231 313 S CB 0.575 63.842 63.200 0.111 0.000 0.900 313 S HN 0.068 nan 8.310 nan 0.000 0.492 325 N N 0.859 119.544 118.700 -0.024 0.000 2.434 325 N HA 0.435 5.170 4.740 -0.008 0.000 0.272 325 N C 0.216 175.783 175.510 0.095 0.000 1.040 325 N CA -0.813 52.288 53.050 0.084 0.000 0.956 325 N CB 0.459 39.005 38.487 0.100 0.000 1.108 325 N HN 0.294 nan 8.380 nan 0.000 0.481 326 F N 0.715 120.764 119.950 0.166 0.000 2.754 326 F HA 0.060 4.582 4.527 -0.008 0.000 0.303 326 F C 1.322 177.195 175.800 0.122 0.000 1.196 326 F CA -0.065 58.028 58.000 0.154 0.000 1.416 326 F CB 0.162 39.114 39.000 -0.078 0.000 1.092 326 F HN 0.450 nan 8.300 nan 0.000 0.541 327 D N 0.412 120.959 120.400 0.245 0.000 2.219 327 D HA -0.111 4.524 4.640 -0.008 0.000 0.205 327 D C 2.178 178.577 176.300 0.165 0.000 0.970 327 D CA 1.045 55.146 54.000 0.168 0.000 0.851 327 D CB 0.056 40.928 40.800 0.120 0.000 0.943 327 D HN 0.258 nan 8.370 nan 0.000 0.488 328 A N -0.783 122.165 122.820 0.213 0.000 2.238 328 A HA 0.095 4.410 4.320 -0.008 0.000 0.210 328 A C 1.580 179.287 177.584 0.205 0.000 1.179 328 A CA -0.289 51.869 52.037 0.201 0.000 0.827 328 A CB -0.705 18.423 19.000 0.214 0.000 0.856 328 A HN 0.232 nan 8.150 nan 0.000 0.488 329 F N 1.895 121.824 119.950 -0.035 0.000 2.091 329 F HA -0.147 4.375 4.527 -0.008 0.000 0.299 329 F C -0.821 174.881 175.800 -0.163 0.000 1.103 329 F CA 2.493 60.271 58.000 -0.370 0.000 1.228 329 F CB -0.608 38.175 39.000 -0.363 0.000 0.984 329 F HN 0.199 nan 8.300 nan 0.000 0.477 330 P HA -0.105 nan 4.420 nan 0.000 0.223 330 P C 0.703 177.969 177.300 -0.057 0.000 1.151 330 P CA 1.546 64.633 63.100 -0.022 0.000 0.787 330 P CB -0.043 31.670 31.700 0.021 0.000 0.788 331 D N -1.106 119.278 120.400 -0.026 0.000 2.333 331 D HA -0.008 4.627 4.640 -0.008 0.000 0.208 331 D C 1.477 177.765 176.300 -0.019 0.000 0.984 331 D CA 0.811 54.807 54.000 -0.007 0.000 0.873 331 D CB 0.129 40.945 40.800 0.026 0.000 0.935 331 D HN 0.144 nan 8.370 nan 0.000 0.521 332 K N 0.222 120.588 120.400 -0.057 0.000 2.380 332 K HA 0.209 4.524 4.320 -0.008 0.000 0.198 332 K C 0.046 176.559 176.600 -0.146 0.000 1.070 332 K CA 0.080 56.343 56.287 -0.040 0.000 1.040 332 K CB 2.194 34.770 32.500 0.126 0.000 0.903 332 K HN -0.047 nan 8.250 nan 0.000 0.549 333 V N 0.839 120.574 119.914 -0.300 0.000 2.686 333 V HA 0.639 4.754 4.120 -0.008 0.000 0.306 333 V C -1.113 174.894 176.094 -0.145 0.000 1.065 333 V CA -1.314 60.809 62.300 -0.296 0.000 0.894 333 V CB 1.867 33.197 31.823 -0.821 0.000 1.004 333 V HN 0.094 nan 8.190 nan 0.000 0.424 334 A N 5.516 128.311 122.820 -0.042 0.000 2.343 334 A HA 0.923 5.239 4.320 -0.008 0.000 0.308 334 A C -1.022 176.592 177.584 0.049 0.000 1.092 334 A CA -0.440 51.603 52.037 0.011 0.000 0.751 334 A CB 1.039 19.994 19.000 -0.075 0.000 1.203 334 A HN 0.773 nan 8.150 nan 0.000 0.452 335 I N 2.055 122.700 120.570 0.124 0.000 2.382 335 I HA 0.276 4.441 4.170 -0.008 0.000 0.285 335 I C -0.335 175.874 176.117 0.153 0.000 1.007 335 I CA -0.549 60.835 61.300 0.140 0.000 1.142 335 I CB 1.887 39.955 38.000 0.113 0.000 1.289 335 I HN 0.698 nan 8.210 nan 0.000 0.453 336 Q N 6.018 125.905 119.800 0.146 0.000 2.303 336 Q HA 0.440 4.775 4.340 -0.008 0.000 0.257 336 Q C -1.369 174.639 176.000 0.013 0.000 0.941 336 Q CA -0.437 55.483 55.803 0.195 0.000 0.931 336 Q CB 1.178 30.143 28.738 0.378 0.000 1.215 336 Q HN 0.439 nan 8.270 nan 0.000 0.437 337 L N 4.295 125.567 121.223 0.082 0.000 2.261 337 L HA 0.319 4.654 4.340 -0.008 0.000 0.289 337 L C -0.215 176.699 176.870 0.073 0.000 1.059 337 L CA -0.182 54.698 54.840 0.068 0.000 0.816 337 L CB 0.599 42.745 42.059 0.145 0.000 1.191 337 L HN 0.587 nan 8.230 nan 0.000 0.431 338 N N 4.004 122.670 118.700 -0.057 0.000 2.508 338 N HA 0.158 4.893 4.740 -0.008 0.000 0.253 338 N C -0.170 175.399 175.510 0.097 0.000 1.145 338 N CA 0.486 53.559 53.050 0.039 0.000 0.973 338 N CB -0.148 38.285 38.487 -0.092 0.000 1.305 338 N HN 0.571 nan 8.380 nan 0.000 0.506 339 D N -0.194 120.341 120.400 0.224 0.000 4.259 339 D HA -0.219 4.416 4.640 -0.008 0.000 0.290 339 D C 0.398 176.816 176.300 0.197 0.000 2.199 339 D CA 1.497 55.624 54.000 0.210 0.000 1.194 339 D CB -0.666 40.020 40.800 -0.191 0.000 1.003 339 D HN 0.470 nan 8.370 nan 0.000 1.204 340 T N -2.444 112.141 114.554 0.051 0.000 3.129 340 T HA 0.098 4.443 4.350 -0.008 0.000 0.251 340 T C 1.685 176.450 174.700 0.108 0.000 1.117 340 T CA 1.585 63.682 62.100 -0.006 0.000 1.034 340 T CB -0.529 68.304 68.868 -0.058 0.000 0.968 340 T HN 0.518 nan 8.240 nan 0.000 0.526 341 H N 2.609 121.763 119.070 0.140 0.000 2.390 341 H HA -0.019 4.532 4.556 -0.008 0.000 0.298 341 H C -0.744 174.670 175.328 0.144 0.000 1.106 341 H CA 1.190 57.337 56.048 0.164 0.000 1.297 341 H CB -0.671 29.190 29.762 0.166 0.000 1.375 341 H HN 0.455 nan 8.280 nan 0.000 0.509 342 P HA 0.090 nan 4.420 nan 0.000 0.266 342 P C 0.757 178.101 177.300 0.074 0.000 1.561 342 P CA 0.395 63.577 63.100 0.136 0.000 1.089 342 P CB 0.520 32.292 31.700 0.119 0.000 1.534 343 S N 0.057 115.791 115.700 0.056 0.000 2.440 343 S HA -0.138 4.327 4.470 -0.008 0.000 0.238 343 S C 1.780 176.380 174.600 0.001 0.000 1.010 343 S CA 0.815 59.007 58.200 -0.014 0.000 0.972 343 S CB -1.490 61.674 63.200 -0.059 0.000 0.774 343 S HN 0.156 nan 8.310 nan 0.000 0.501 344 L N 0.871 122.112 121.223 0.029 0.000 2.549 344 L HA 0.057 4.392 4.340 -0.008 0.000 0.229 344 L C 2.883 179.789 176.870 0.060 0.000 1.158 344 L CA 0.569 55.430 54.840 0.035 0.000 0.842 344 L CB -0.733 41.347 42.059 0.036 0.000 0.952 344 L HN 0.474 nan 8.230 nan 0.000 0.452 345 A N 0.576 123.413 122.820 0.028 0.000 1.972 345 A HA -0.180 4.135 4.320 -0.008 0.000 0.219 345 A C 2.185 179.768 177.584 -0.003 0.000 1.169 345 A CA 1.379 53.419 52.037 0.004 0.000 0.635 345 A CB -0.416 18.578 19.000 -0.009 0.000 0.810 345 A HN 0.363 nan 8.150 nan 0.000 0.446 346 I N 0.318 120.887 120.570 -0.003 0.000 2.113 346 I HA -0.152 4.013 4.170 -0.008 0.000 0.238 346 I C -0.347 175.782 176.117 0.020 0.000 1.070 346 I CA 1.594 62.889 61.300 -0.009 0.000 1.332 346 I CB -1.016 36.983 38.000 -0.002 0.000 1.044 346 I HN 0.260 nan 8.210 nan 0.000 0.402 347 P HA -0.149 nan 4.420 nan 0.000 0.225 347 P C 1.227 178.535 177.300 0.013 0.000 1.156 347 P CA 1.397 64.521 63.100 0.041 0.000 0.787 347 P CB 0.081 31.825 31.700 0.072 0.000 0.802 348 E N 0.443 120.710 120.200 0.112 0.000 2.072 348 E HA -0.135 4.211 4.350 -0.008 0.000 0.190 348 E C 1.925 178.503 176.600 -0.037 0.000 0.982 348 E CA 0.620 57.103 56.400 0.138 0.000 0.803 348 E CB -1.219 28.613 29.700 0.220 0.000 0.755 348 E HN -0.010 nan 8.360 nan 0.000 0.453 349 L N -0.011 121.163 121.223 -0.082 0.000 2.083 349 L HA -0.095 4.240 4.340 -0.008 0.000 0.209 349 L C 2.069 178.790 176.870 -0.247 0.000 1.083 349 L CA 1.697 56.429 54.840 -0.180 0.000 0.752 349 L CB -0.537 41.417 42.059 -0.175 0.000 0.899 349 L HN 0.229 nan 8.230 nan 0.000 0.433 350 M N -0.765 118.705 119.600 -0.216 0.000 2.086 350 M HA -0.213 4.262 4.480 -0.008 0.000 0.261 350 M C 2.437 178.566 176.300 -0.286 0.000 1.067 350 M CA 1.606 56.727 55.300 -0.299 0.000 1.116 350 M CB -1.182 31.224 32.600 -0.323 0.000 1.348 350 M HN 0.325 nan 8.290 nan 0.000 0.407 351 R N -0.002 120.355 120.500 -0.239 0.000 2.094 351 R HA -0.159 4.176 4.340 -0.008 0.000 0.239 351 R C 2.072 178.262 176.300 -0.183 0.000 1.137 351 R CA 1.972 57.936 56.100 -0.227 0.000 0.943 351 R CB -0.320 29.798 30.300 -0.303 0.000 0.850 351 R HN 0.207 nan 8.270 nan 0.000 0.433 352 V N 1.436 121.242 119.914 -0.180 0.000 2.295 352 V HA -0.270 3.845 4.120 -0.008 0.000 0.246 352 V C 2.422 178.356 176.094 -0.266 0.000 1.049 352 V CA 1.918 64.107 62.300 -0.184 0.000 1.024 352 V CB -0.431 31.279 31.823 -0.188 0.000 0.648 352 V HN 0.356 nan 8.190 nan 0.000 0.447 353 L N -0.709 120.290 121.223 -0.372 0.000 2.083 353 L HA -0.136 4.199 4.340 -0.008 0.000 0.209 353 L C 2.347 179.044 176.870 -0.288 0.000 1.083 353 L CA 1.085 55.648 54.840 -0.463 0.000 0.752 353 L CB -0.613 41.126 42.059 -0.534 0.000 0.899 353 L HN 0.207 nan 8.230 nan 0.000 0.433 354 V N -0.707 119.074 119.914 -0.221 0.000 2.341 354 V HA -0.158 3.957 4.120 -0.008 0.000 0.240 354 V C 1.947 178.000 176.094 -0.069 0.000 1.035 354 V CA 1.586 63.816 62.300 -0.116 0.000 1.033 354 V CB -0.327 31.452 31.823 -0.073 0.000 0.678 354 V HN 0.322 nan 8.190 nan 0.000 0.464 355 D N 0.049 120.401 120.400 -0.079 0.000 2.149 355 D HA -0.032 4.603 4.640 -0.008 0.000 0.201 355 D C 2.009 178.281 176.300 -0.047 0.000 0.972 355 D CA 1.203 55.172 54.000 -0.052 0.000 0.835 355 D CB 0.066 40.829 40.800 -0.061 0.000 0.966 355 D HN 0.334 nan 8.370 nan 0.000 0.476 356 L N 0.097 121.277 121.223 -0.071 0.000 2.349 356 L HA 0.111 4.446 4.340 -0.008 0.000 0.200 356 L C 1.790 178.634 176.870 -0.043 0.000 1.064 356 L CA 0.457 55.267 54.840 -0.050 0.000 0.821 356 L CB -0.002 42.026 42.059 -0.052 0.000 1.027 356 L HN -0.199 nan 8.230 nan 0.000 0.476 357 E N 0.342 120.486 120.200 -0.093 0.000 2.478 357 E HA 0.009 4.354 4.350 -0.008 0.000 0.194 357 E C 0.145 176.727 176.600 -0.029 0.000 1.045 357 E CA -0.041 56.326 56.400 -0.056 0.000 0.868 357 E CB 0.248 29.828 29.700 -0.200 0.000 0.885 357 E HN 0.158 nan 8.360 nan 0.000 0.505 358 R N -0.408 120.065 120.500 -0.045 0.000 3.770 358 R HA -0.192 4.143 4.340 -0.008 0.000 0.305 358 R C -0.175 176.121 176.300 -0.007 0.000 1.184 358 R CA 0.254 56.346 56.100 -0.013 0.000 0.823 358 R CB -2.921 27.387 30.300 0.014 0.000 1.285 358 R HN 0.112 nan 8.270 nan 0.000 0.499 359 L N 1.879 123.074 121.223 -0.047 0.000 2.464 359 L HA 0.128 4.463 4.340 -0.008 0.000 0.264 359 L C 1.486 178.357 176.870 0.002 0.000 1.199 359 L CA 0.349 55.173 54.840 -0.027 0.000 0.818 359 L CB 0.295 42.300 42.059 -0.090 0.000 1.102 359 L HN 0.151 nan 8.230 nan 0.000 0.473 360 D N 0.414 120.838 120.400 0.039 0.000 2.304 360 D HA -0.110 4.526 4.640 -0.008 0.000 0.247 360 D C 0.991 177.364 176.300 0.122 0.000 1.089 360 D CA -0.567 53.488 54.000 0.093 0.000 0.910 360 D CB 0.727 41.586 40.800 0.099 0.000 1.199 360 D HN 0.614 nan 8.370 nan 0.000 0.426 361 W N 2.986 124.290 121.300 0.007 0.000 2.290 361 W HA -0.314 4.341 4.660 -0.008 0.000 0.328 361 W C 0.785 177.349 176.519 0.075 0.000 1.272 361 W CA 2.398 59.754 57.345 0.018 0.000 1.262 361 W CB -0.454 28.997 29.460 -0.015 0.000 1.151 361 W HN 0.555 nan 8.180 nan 0.000 0.473 362 D N -0.078 120.537 120.400 0.358 0.000 2.123 362 D HA -0.224 4.412 4.640 -0.008 0.000 0.196 362 D C 2.199 178.605 176.300 0.176 0.000 0.992 362 D CA 1.621 55.799 54.000 0.297 0.000 0.833 362 D CB -0.412 40.533 40.800 0.242 0.000 0.954 362 D HN -0.101 nan 8.370 nan 0.000 0.455 363 K N 0.711 121.173 120.400 0.103 0.000 2.025 363 K HA 0.031 4.346 4.320 -0.008 0.000 0.207 363 K C 2.028 178.623 176.600 -0.008 0.000 1.049 363 K CA 1.104 57.424 56.287 0.055 0.000 0.933 363 K CB -0.566 31.961 32.500 0.045 0.000 0.714 363 K HN 0.128 nan 8.250 nan 0.000 0.438 364 A N 0.827 123.600 122.820 -0.077 0.000 1.883 364 A HA -0.209 4.106 4.320 -0.008 0.000 0.217 364 A C 2.187 179.674 177.584 -0.161 0.000 1.186 364 A CA 1.539 53.458 52.037 -0.196 0.000 0.624 364 A CB -1.120 17.695 19.000 -0.309 0.000 0.822 364 A HN 0.663 nan 8.150 nan 0.000 0.444 365 W N 0.593 121.681 121.300 -0.354 0.000 2.388 365 W HA -0.146 4.509 4.660 -0.008 0.000 0.294 365 W C 1.975 178.434 176.519 -0.100 0.000 1.212 365 W CA 1.732 58.918 57.345 -0.264 0.000 1.271 365 W CB -0.057 29.286 29.460 -0.195 0.000 1.126 365 W HN 0.621 nan 8.180 nan 0.000 0.535 366 E N 0.149 120.342 120.200 -0.012 0.000 2.051 366 E HA -0.209 4.136 4.350 -0.008 0.000 0.192 366 E C 2.044 178.567 176.600 -0.129 0.000 0.991 366 E CA 1.785 58.144 56.400 -0.068 0.000 0.799 366 E CB -0.278 29.440 29.700 0.030 0.000 0.748 366 E HN 0.061 nan 8.360 nan 0.000 0.449 367 V N 0.858 120.710 119.914 -0.103 0.000 2.295 367 V HA -0.271 3.844 4.120 -0.008 0.000 0.246 367 V C 2.438 178.459 176.094 -0.122 0.000 1.049 367 V CA 2.218 64.471 62.300 -0.077 0.000 1.024 367 V CB -0.914 30.846 31.823 -0.105 0.000 0.648 367 V HN 0.367 nan 8.190 nan 0.000 0.447 368 T N 0.283 114.692 114.554 -0.242 0.000 2.607 368 T HA -0.207 4.138 4.350 -0.008 0.000 0.267 368 T C 1.955 176.468 174.700 -0.312 0.000 1.049 368 T CA 1.943 63.872 62.100 -0.285 0.000 1.162 368 T CB -0.392 68.246 68.868 -0.384 0.000 0.863 368 T HN 0.272 nan 8.240 nan 0.000 0.424 369 V N 1.505 121.102 119.914 -0.528 0.000 2.332 369 V HA -0.211 3.905 4.120 -0.008 0.000 0.248 369 V C 2.358 178.409 176.094 -0.072 0.000 1.055 369 V CA 1.696 63.757 62.300 -0.399 0.000 1.038 369 V CB -0.551 30.969 31.823 -0.505 0.000 0.651 369 V HN 0.492 nan 8.190 nan 0.000 0.450 370 K N -0.176 120.169 120.400 -0.091 0.000 2.288 370 K HA -0.106 4.210 4.320 -0.008 0.000 0.201 370 K C 2.189 178.779 176.600 -0.016 0.000 1.048 370 K CA 1.571 57.800 56.287 -0.097 0.000 0.956 370 K CB -0.211 32.226 32.500 -0.105 0.000 0.746 370 K HN 0.652 nan 8.250 nan 0.000 0.461 371 T N -1.599 113.000 114.554 0.076 0.000 3.037 371 T HA 0.063 4.408 4.350 -0.008 0.000 0.252 371 T C 0.741 175.558 174.700 0.196 0.000 1.073 371 T CA -0.217 61.963 62.100 0.133 0.000 1.091 371 T CB -0.034 68.938 68.868 0.174 0.000 0.935 371 T HN 0.034 nan 8.240 nan 0.000 0.488 372 C N 2.638 122.034 119.300 0.159 0.000 2.365 372 C HA 0.920 5.375 4.460 -0.008 0.000 0.351 372 C C 0.621 175.654 174.990 0.073 0.000 1.240 372 C CA -0.846 58.238 59.018 0.110 0.000 2.062 372 C CB 0.181 27.924 27.740 0.004 0.000 2.387 372 C HN 0.746 nan 8.230 nan 0.000 0.537 373 A N 2.259 125.124 122.820 0.074 0.000 2.475 373 A HA 0.793 5.108 4.320 -0.008 0.000 0.301 373 A C -1.575 176.084 177.584 0.126 0.000 1.059 373 A CA -0.430 51.600 52.037 -0.012 0.000 0.710 373 A CB 1.109 20.142 19.000 0.055 0.000 1.288 373 A HN 0.945 nan 8.150 nan 0.000 0.408 374 Y N 0.888 121.140 120.300 -0.079 0.000 2.391 374 Y HA 0.620 5.165 4.550 -0.008 0.000 0.341 374 Y C -0.579 175.309 175.900 -0.020 0.000 0.965 374 Y CA -0.333 57.736 58.100 -0.051 0.000 1.067 374 Y CB 2.108 40.496 38.460 -0.120 0.000 1.199 374 Y HN 0.565 nan 8.280 nan 0.000 0.450 375 T N 6.566 120.898 114.554 -0.371 0.000 2.756 375 T HA 0.176 4.521 4.350 -0.008 0.000 0.290 375 T C -0.682 173.543 174.700 -0.791 0.000 0.985 375 T CA -0.737 61.087 62.100 -0.461 0.000 0.955 375 T CB 0.277 69.109 68.868 -0.060 0.000 0.930 375 T HN 0.639 nan 8.240 nan 0.000 0.451 376 N N 1.890 120.136 118.700 -0.757 0.000 2.499 376 N HA 0.104 4.839 4.740 -0.008 0.000 0.281 376 N C 0.135 175.513 175.510 -0.220 0.000 1.098 376 N CA -0.275 52.557 53.050 -0.363 0.000 0.979 376 N CB 0.722 39.182 38.487 -0.044 0.000 1.121 376 N HN 0.643 nan 8.380 nan 0.000 0.466 377 H N 0.972 120.066 119.070 0.040 0.000 2.827 377 H HA 0.162 4.713 4.556 -0.008 0.000 0.269 377 H C -0.111 175.131 175.328 -0.143 0.000 1.031 377 H CA 0.146 56.167 56.048 -0.045 0.000 1.202 377 H CB 1.135 30.880 29.762 -0.029 0.000 1.511 377 H HN 0.548 nan 8.280 nan 0.000 0.517 378 T N -0.141 114.434 114.554 0.036 0.000 2.786 378 T HA 0.254 4.599 4.350 -0.008 0.000 0.316 378 T C 0.357 175.076 174.700 0.032 0.000 1.503 378 T CA -0.223 61.848 62.100 -0.049 0.000 1.019 378 T CB 1.135 69.973 68.868 -0.051 0.000 1.415 378 T HN -0.076 nan 8.240 nan 0.000 0.496 379 V N 1.304 121.200 119.914 -0.031 0.000 3.556 379 V HA 0.498 4.614 4.120 -0.008 0.000 0.287 379 V C 0.989 177.045 176.094 -0.062 0.000 1.422 379 V CA 0.060 62.332 62.300 -0.046 0.000 1.038 379 V CB -0.694 31.102 31.823 -0.045 0.000 0.850 379 V HN 0.811 nan 8.190 nan 0.000 0.437 380 I N 0.087 120.609 120.570 -0.079 0.000 2.618 380 I HA 0.276 4.441 4.170 -0.008 0.000 0.284 380 I C -0.529 175.589 176.117 0.002 0.000 1.146 380 I CA -1.490 59.788 61.300 -0.036 0.000 1.425 380 I CB 0.478 38.441 38.000 -0.062 0.000 1.383 380 I HN -0.021 nan 8.210 nan 0.000 0.562 381 P HA -0.252 nan 4.420 nan 0.000 0.216 381 P C 1.069 178.377 177.300 0.013 0.000 1.153 381 P CA 1.660 64.767 63.100 0.011 0.000 0.858 381 P CB -0.089 31.622 31.700 0.019 0.000 0.789 382 E N 0.271 120.510 120.200 0.064 0.000 2.472 382 E HA -0.063 4.282 4.350 -0.008 0.000 0.200 382 E C 1.668 178.257 176.600 -0.019 0.000 1.046 382 E CA 1.116 57.543 56.400 0.044 0.000 0.871 382 E CB -0.730 29.117 29.700 0.245 0.000 0.806 382 E HN 0.249 nan 8.360 nan 0.000 0.533 383 A N 1.081 123.923 122.820 0.037 0.000 2.095 383 A HA 0.175 4.490 4.320 -0.008 0.000 0.212 383 A C 1.226 178.795 177.584 -0.024 0.000 1.162 383 A CA -0.281 51.788 52.037 0.053 0.000 0.753 383 A CB 0.099 19.150 19.000 0.085 0.000 0.840 383 A HN 0.132 nan 8.150 nan 0.000 0.468 384 L N 1.957 123.130 121.223 -0.084 0.000 2.499 384 L HA 0.079 4.414 4.340 -0.008 0.000 0.273 384 L C 0.011 176.582 176.870 -0.498 0.000 1.195 384 L CA 0.639 55.368 54.840 -0.184 0.000 0.882 384 L CB -0.004 41.975 42.059 -0.134 0.000 1.133 384 L HN 0.428 nan 8.230 nan 0.000 0.483 385 E N 4.973 124.771 120.200 -0.670 0.000 2.180 385 E HA 0.205 4.550 4.350 -0.008 0.000 0.283 385 E C -0.467 175.498 176.600 -1.059 0.000 1.061 385 E CA -0.245 55.297 56.400 -1.431 0.000 0.861 385 E CB 0.664 29.838 29.700 -0.876 0.000 1.056 385 E HN 0.375 nan 8.360 nan 0.000 0.407 386 R N 3.845 123.608 120.500 -1.229 0.000 2.472 386 R HA 0.216 4.551 4.340 -0.008 0.000 0.294 386 R C -1.207 174.953 176.300 -0.234 0.000 1.243 386 R CA -0.598 55.230 56.100 -0.454 0.000 1.023 386 R CB 0.787 30.956 30.300 -0.218 0.000 1.157 386 R HN 0.422 nan 8.270 nan 0.000 0.530 387 W N 4.135 125.406 121.300 -0.047 0.000 2.287 387 W HA 0.283 4.938 4.660 -0.008 0.000 0.313 387 W C -1.938 174.560 176.519 -0.035 0.000 1.267 387 W CA -2.165 55.210 57.345 0.050 0.000 1.201 387 W CB 0.648 30.113 29.460 0.008 0.000 1.196 387 W HN 0.245 nan 8.180 nan 0.000 0.536 388 P HA -0.091 nan 4.420 nan 0.000 0.265 388 P C 0.788 178.007 177.300 -0.134 0.000 1.193 388 P CA 0.207 63.250 63.100 -0.095 0.000 0.765 388 P CB 0.766 32.228 31.700 -0.396 0.000 0.823 389 V N 3.574 123.444 119.914 -0.072 0.000 2.407 389 V HA -0.270 3.845 4.120 -0.008 0.000 0.248 389 V C 2.249 178.341 176.094 -0.002 0.000 1.055 389 V CA 2.082 64.379 62.300 -0.005 0.000 1.049 389 V CB -1.566 30.321 31.823 0.106 0.000 0.662 389 V HN 0.759 nan 8.190 nan 0.000 0.455 390 H N -0.878 118.252 119.070 0.099 0.000 2.421 390 H HA -0.101 4.450 4.556 -0.008 0.000 0.298 390 H C 2.312 177.691 175.328 0.084 0.000 1.087 390 H CA 1.564 57.666 56.048 0.088 0.000 1.330 390 H CB -0.311 29.503 29.762 0.086 0.000 1.388 390 H HN 0.396 nan 8.280 nan 0.000 0.526 391 L N 0.662 121.832 121.223 -0.089 0.000 2.027 391 L HA -0.117 4.218 4.340 -0.008 0.000 0.206 391 L C 2.779 179.637 176.870 -0.019 0.000 1.074 391 L CA 0.765 55.623 54.840 0.029 0.000 0.745 391 L CB -0.176 41.888 42.059 0.009 0.000 0.898 391 L HN 0.200 nan 8.230 nan 0.000 0.433 392 L N -0.693 120.484 121.223 -0.077 0.000 2.191 392 L HA -0.229 4.107 4.340 -0.008 0.000 0.212 392 L C 2.371 179.191 176.870 -0.084 0.000 1.103 392 L CA 1.014 55.772 54.840 -0.136 0.000 0.769 392 L CB -0.425 41.538 42.059 -0.161 0.000 0.908 392 L HN 0.349 nan 8.230 nan 0.000 0.438 393 E N -0.370 119.824 120.200 -0.010 0.000 2.106 393 E HA -0.168 4.177 4.350 -0.008 0.000 0.192 393 E C 1.868 178.517 176.600 0.081 0.000 0.984 393 E CA 1.660 58.083 56.400 0.038 0.000 0.806 393 E CB 0.221 29.980 29.700 0.098 0.000 0.750 393 E HN 0.434 nan 8.360 nan 0.000 0.458 394 T N 0.510 115.137 114.554 0.121 0.000 2.901 394 T HA -0.044 4.301 4.350 -0.008 0.000 0.252 394 T C 1.704 176.548 174.700 0.241 0.000 1.035 394 T CA 0.371 62.597 62.100 0.210 0.000 1.142 394 T CB -0.143 68.879 68.868 0.258 0.000 0.869 394 T HN 0.043 nan 8.240 nan 0.000 0.442 395 L N 0.233 121.504 121.223 0.080 0.000 2.072 395 L HA 0.292 4.627 4.340 -0.008 0.000 0.205 395 L C 0.445 177.272 176.870 -0.072 0.000 1.079 395 L CA 1.667 56.434 54.840 -0.122 0.000 0.752 395 L CB -0.091 41.860 42.059 -0.181 0.000 0.906 395 L HN 0.198 nan 8.230 nan 0.000 0.436 396 L N 0.504 121.642 121.223 -0.140 0.000 2.551 396 L HA 0.269 4.604 4.340 -0.008 0.000 0.248 396 L C -1.636 175.073 176.870 -0.269 0.000 1.509 396 L CA -0.991 53.679 54.840 -0.283 0.000 0.842 396 L CB 0.896 42.614 42.059 -0.568 0.000 1.087 396 L HN -0.051 nan 8.230 nan 0.000 0.512 397 P HA -0.251 nan 4.420 nan 0.000 0.215 397 P C 1.492 178.606 177.300 -0.310 0.000 1.157 397 P CA 1.438 64.431 63.100 -0.178 0.000 0.874 397 P CB 0.347 32.017 31.700 -0.050 0.000 0.790 398 R N -0.379 119.756 120.500 -0.608 0.000 2.096 398 R HA -0.164 4.171 4.340 -0.008 0.000 0.235 398 R C 2.388 178.380 176.300 -0.512 0.000 1.127 398 R CA 1.606 57.349 56.100 -0.595 0.000 0.968 398 R CB -1.397 28.381 30.300 -0.871 0.000 0.861 398 R HN 0.226 nan 8.270 nan 0.000 0.440 399 H N -0.135 118.609 119.070 -0.542 0.000 2.421 399 H HA -0.066 4.485 4.556 -0.008 0.000 0.298 399 H C 1.777 176.925 175.328 -0.301 0.000 1.087 399 H CA 1.599 57.415 56.048 -0.386 0.000 1.330 399 H CB -0.059 29.438 29.762 -0.442 0.000 1.388 399 H HN 0.131 nan 8.280 nan 0.000 0.526 400 L N 0.438 121.529 121.223 -0.219 0.000 2.056 400 L HA -0.225 4.110 4.340 -0.008 0.000 0.207 400 L C 1.789 178.458 176.870 -0.335 0.000 1.078 400 L CA 1.544 56.186 54.840 -0.330 0.000 0.749 400 L CB -0.240 41.641 42.059 -0.297 0.000 0.901 400 L HN 0.441 nan 8.230 nan 0.000 0.433 401 Q N -0.270 119.443 119.800 -0.144 0.000 2.084 401 Q HA -0.216 4.119 4.340 -0.008 0.000 0.202 401 Q C 2.155 178.172 176.000 0.028 0.000 0.978 401 Q CA 1.526 57.338 55.803 0.015 0.000 0.844 401 Q CB -0.077 28.676 28.738 0.024 0.000 0.898 401 Q HN 0.558 nan 8.270 nan 0.000 0.426 402 I N 0.511 121.073 120.570 -0.013 0.000 2.315 402 I HA -0.259 3.906 4.170 -0.008 0.000 0.248 402 I C 2.159 178.351 176.117 0.126 0.000 1.117 402 I CA 1.051 62.426 61.300 0.125 0.000 1.404 402 I CB -0.191 37.823 38.000 0.024 0.000 1.071 402 I HN 0.197 nan 8.210 nan 0.000 0.419 403 I N -0.416 120.146 120.570 -0.013 0.000 2.252 403 I HA -0.305 3.860 4.170 -0.008 0.000 0.245 403 I C 2.441 178.585 176.117 0.045 0.000 1.102 403 I CA 1.402 62.687 61.300 -0.024 0.000 1.385 403 I CB -0.412 37.505 38.000 -0.139 0.000 1.064 403 I HN 0.145 nan 8.210 nan 0.000 0.414 404 Y N 0.964 121.268 120.300 0.007 0.000 2.181 404 Y HA -0.264 4.281 4.550 -0.008 0.000 0.288 404 Y C 2.619 178.485 175.900 -0.055 0.000 1.146 404 Y CA 1.493 59.584 58.100 -0.015 0.000 1.164 404 Y CB -0.791 37.653 38.460 -0.027 0.000 0.982 404 Y HN 0.184 nan 8.280 nan 0.000 0.515 405 E N 0.448 120.691 120.200 0.072 0.000 2.077 405 E HA -0.150 4.195 4.350 -0.008 0.000 0.193 405 E C 2.091 178.605 176.600 -0.144 0.000 0.989 405 E CA 1.331 57.630 56.400 -0.168 0.000 0.800 405 E CB -0.566 28.874 29.700 -0.434 0.000 0.746 405 E HN 0.477 nan 8.360 nan 0.000 0.452 406 I N 0.607 121.196 120.570 0.032 0.000 2.226 406 I HA -0.282 3.884 4.170 -0.008 0.000 0.245 406 I C 2.250 178.366 176.117 -0.002 0.000 1.100 406 I CA 1.392 62.666 61.300 -0.044 0.000 1.374 406 I CB -0.387 37.584 38.000 -0.048 0.000 1.057 406 I HN 0.219 nan 8.210 nan 0.000 0.413 407 N N 0.593 119.341 118.700 0.081 0.000 2.084 407 N HA -0.263 4.472 4.740 -0.008 0.000 0.190 407 N C 1.826 177.422 175.510 0.143 0.000 1.030 407 N CA 1.445 54.595 53.050 0.167 0.000 0.849 407 N CB -0.083 38.520 38.487 0.194 0.000 1.012 407 N HN 0.155 nan 8.380 nan 0.000 0.423 408 Q N 0.876 120.703 119.800 0.045 0.000 2.002 408 Q HA -0.053 4.282 4.340 -0.008 0.000 0.204 408 Q C 1.931 177.914 176.000 -0.027 0.000 0.988 408 Q CA 1.857 57.649 55.803 -0.018 0.000 0.843 408 Q CB -0.224 28.459 28.738 -0.092 0.000 0.908 408 Q HN 0.377 nan 8.270 nan 0.000 0.420 409 R N -1.045 119.413 120.500 -0.069 0.000 2.120 409 R HA -0.123 4.212 4.340 -0.008 0.000 0.234 409 R C 2.195 178.518 176.300 0.038 0.000 1.123 409 R CA 1.174 57.235 56.100 -0.065 0.000 0.975 409 R CB -0.485 29.728 30.300 -0.144 0.000 0.866 409 R HN 0.289 nan 8.270 nan 0.000 0.446 410 F N 1.435 121.354 119.950 -0.050 0.000 2.163 410 F HA -0.038 4.484 4.527 -0.008 0.000 0.297 410 F C 1.850 177.666 175.800 0.027 0.000 1.094 410 F CA 1.166 59.180 58.000 0.024 0.000 1.290 410 F CB -0.119 38.924 39.000 0.071 0.000 1.017 410 F HN -0.139 nan 8.300 nan 0.000 0.483 411 L N -0.091 121.118 121.223 -0.023 0.000 2.291 411 L HA -0.176 4.159 4.340 -0.008 0.000 0.214 411 L C 1.881 178.675 176.870 -0.127 0.000 1.120 411 L CA 1.184 55.952 54.840 -0.119 0.000 0.799 411 L CB -0.812 41.247 42.059 -0.001 0.000 0.925 411 L HN 0.231 nan 8.230 nan 0.000 0.446 412 N N -0.134 118.511 118.700 -0.091 0.000 2.244 412 N HA -0.163 4.572 4.740 -0.008 0.000 0.183 412 N C 1.938 177.389 175.510 -0.099 0.000 1.016 412 N CA 0.553 53.556 53.050 -0.080 0.000 0.866 412 N CB 0.060 38.509 38.487 -0.064 0.000 0.980 412 N HN 0.218 nan 8.380 nan 0.000 0.430 413 R N 0.546 120.963 120.500 -0.138 0.000 2.090 413 R HA 0.009 4.344 4.340 -0.008 0.000 0.228 413 R C 1.956 178.150 176.300 -0.178 0.000 1.110 413 R CA 0.608 56.623 56.100 -0.141 0.000 0.973 413 R CB 0.056 30.277 30.300 -0.131 0.000 0.869 413 R HN 0.022 nan 8.270 nan 0.000 0.440 414 V N 0.437 120.198 119.914 -0.255 0.000 2.379 414 V HA -0.165 3.950 4.120 -0.008 0.000 0.245 414 V C 2.309 178.398 176.094 -0.008 0.000 1.044 414 V CA 1.848 64.069 62.300 -0.132 0.000 1.036 414 V CB -0.591 31.088 31.823 -0.241 0.000 0.664 414 V HN 0.450 nan 8.190 nan 0.000 0.453 415 A N 0.131 122.916 122.820 -0.057 0.000 1.940 415 A HA -0.132 4.183 4.320 -0.008 0.000 0.219 415 A C 2.381 179.939 177.584 -0.043 0.000 1.176 415 A CA 2.149 54.169 52.037 -0.028 0.000 0.631 415 A CB -0.688 18.287 19.000 -0.042 0.000 0.814 415 A HN 0.572 nan 8.150 nan 0.000 0.446 416 A N -0.570 122.204 122.820 -0.077 0.000 1.968 416 A HA 0.294 4.609 4.320 -0.008 0.000 0.217 416 A C 2.395 179.886 177.584 -0.155 0.000 1.169 416 A CA 1.732 53.712 52.037 -0.095 0.000 0.638 416 A CB -0.701 18.247 19.000 -0.086 0.000 0.812 416 A HN 0.966 nan 8.150 nan 0.000 0.446 417 A N -1.563 121.116 122.820 -0.235 0.000 1.975 417 A HA 0.352 4.667 4.320 -0.008 0.000 0.215 417 A C 0.489 177.622 177.584 -0.752 0.000 1.170 417 A CA 0.536 52.264 52.037 -0.515 0.000 0.656 417 A CB -0.186 18.417 19.000 -0.661 0.000 0.821 417 A HN 0.410 nan 8.150 nan 0.000 0.449 418 F N 0.065 119.966 119.950 -0.081 0.000 2.523 418 F HA 0.352 4.874 4.527 -0.008 0.000 0.322 418 F C -2.713 173.049 175.800 -0.063 0.000 1.361 418 F CA -2.985 54.972 58.000 -0.071 0.000 1.151 418 F CB 0.549 39.499 39.000 -0.085 0.000 1.391 418 F HN -0.061 nan 8.300 nan 0.000 0.566 419 P HA 0.113 nan 4.420 nan 0.000 0.262 419 P C 1.044 178.364 177.300 0.033 0.000 1.182 419 P CA 1.254 64.364 63.100 0.016 0.000 0.761 419 P CB 0.723 32.415 31.700 -0.014 0.000 0.795 420 G N 2.758 111.569 108.800 0.019 0.000 2.212 420 G HA2 -0.276 3.679 3.960 -0.008 0.000 0.266 420 G HA3 -0.276 3.679 3.960 -0.008 0.000 0.266 420 G C 0.507 175.417 174.900 0.016 0.000 0.978 420 G CA 0.197 45.305 45.100 0.014 0.000 0.632 420 G HN 0.606 nan 8.290 nan 0.000 0.537 421 D N 1.191 121.610 120.400 0.032 0.000 2.688 421 D HA 0.405 5.040 4.640 -0.008 0.000 0.228 421 D C 1.883 178.174 176.300 -0.015 0.000 1.116 421 D CA 0.220 54.224 54.000 0.007 0.000 1.023 421 D CB 0.115 40.917 40.800 0.004 0.000 1.100 421 D HN 0.139 nan 8.370 nan 0.000 0.487 422 V N 1.439 121.346 119.914 -0.011 0.000 2.453 422 V HA -0.217 3.899 4.120 -0.008 0.000 0.252 422 V C 2.158 178.240 176.094 -0.019 0.000 1.068 422 V CA 1.595 63.887 62.300 -0.013 0.000 1.070 422 V CB -0.254 31.565 31.823 -0.008 0.000 0.664 422 V HN 0.510 nan 8.190 nan 0.000 0.461 423 D N -0.342 120.043 120.400 -0.025 0.000 2.144 423 D HA -0.179 4.456 4.640 -0.008 0.000 0.200 423 D C 2.385 178.659 176.300 -0.044 0.000 0.978 423 D CA 1.037 55.022 54.000 -0.025 0.000 0.833 423 D CB 0.082 40.867 40.800 -0.026 0.000 0.961 423 D HN 0.346 nan 8.370 nan 0.000 0.470 424 R N 0.408 120.857 120.500 -0.085 0.000 2.105 424 R HA -0.118 4.217 4.340 -0.008 0.000 0.239 424 R C 2.638 178.869 176.300 -0.115 0.000 1.135 424 R CA 0.730 56.742 56.100 -0.146 0.000 0.967 424 R CB -0.197 29.956 30.300 -0.245 0.000 0.861 424 R HN 0.211 nan 8.270 nan 0.000 0.442 425 L N 0.031 121.211 121.223 -0.072 0.000 2.046 425 L HA -0.192 4.143 4.340 -0.008 0.000 0.208 425 L C 2.691 179.563 176.870 0.004 0.000 1.077 425 L CA 1.563 56.378 54.840 -0.042 0.000 0.747 425 L CB -0.406 41.638 42.059 -0.025 0.000 0.896 425 L HN 0.221 nan 8.230 nan 0.000 0.432 426 R N -0.292 120.217 120.500 0.014 0.000 2.081 426 R HA -0.117 4.218 4.340 -0.008 0.000 0.235 426 R C 2.431 178.784 176.300 0.089 0.000 1.131 426 R CA 1.137 57.267 56.100 0.051 0.000 0.960 426 R CB -0.309 30.016 30.300 0.041 0.000 0.856 426 R HN 0.349 nan 8.270 nan 0.000 0.436 427 R N 0.204 120.741 120.500 0.061 0.000 2.096 427 R HA -0.039 4.296 4.340 -0.008 0.000 0.235 427 R C 2.133 178.525 176.300 0.154 0.000 1.127 427 R CA 1.376 57.541 56.100 0.108 0.000 0.968 427 R CB -0.119 30.207 30.300 0.043 0.000 0.861 427 R HN 0.265 nan 8.270 nan 0.000 0.440 428 M N 0.065 119.671 119.600 0.009 0.000 2.514 428 M HA 0.037 4.512 4.480 -0.008 0.000 0.258 428 M C 0.942 177.372 176.300 0.218 0.000 1.119 428 M CA 0.022 55.270 55.300 -0.087 0.000 1.111 428 M CB 0.319 32.700 32.600 -0.364 0.000 1.390 428 M HN -0.079 nan 8.290 nan 0.000 0.475 429 S N 1.227 117.072 115.700 0.243 0.000 2.561 429 S HA 0.013 4.478 4.470 -0.008 0.000 0.294 429 S C 1.148 176.003 174.600 0.425 0.000 1.294 429 S CA -0.160 58.218 58.200 0.296 0.000 1.055 429 S CB 0.514 63.836 63.200 0.204 0.000 0.819 429 S HN 0.355 nan 8.310 nan 0.000 0.503 430 L N 4.201 125.633 121.223 0.348 0.000 2.291 430 L HA 0.084 4.419 4.340 -0.008 0.000 0.214 430 L C 0.344 177.339 176.870 0.208 0.000 1.120 430 L CA 0.311 55.326 54.840 0.293 0.000 0.799 430 L CB -0.401 41.763 42.059 0.174 0.000 0.925 430 L HN 0.405 nan 8.230 nan 0.000 0.446 431 V N 0.724 120.767 119.914 0.216 0.000 2.383 431 V HA 0.164 4.279 4.120 -0.008 0.000 0.275 431 V C 0.047 176.234 176.094 0.155 0.000 1.036 431 V CA -0.579 61.832 62.300 0.184 0.000 0.889 431 V CB 1.387 33.347 31.823 0.228 0.000 0.985 431 V HN 0.171 nan 8.190 nan 0.000 0.459 432 E N 3.806 124.076 120.200 0.117 0.000 2.156 432 E HA 0.354 4.699 4.350 -0.008 0.000 0.279 432 E C -0.518 176.134 176.600 0.086 0.000 0.965 432 E CA -0.654 55.803 56.400 0.096 0.000 0.789 432 E CB 1.513 31.249 29.700 0.061 0.000 1.098 432 E HN 0.593 nan 8.360 nan 0.000 0.397 433 E N 1.088 121.336 120.200 0.079 0.000 2.376 433 E HA 0.572 4.917 4.350 -0.008 0.000 0.254 433 E C 0.542 177.178 176.600 0.060 0.000 1.213 433 E CA -0.306 56.134 56.400 0.068 0.000 0.945 433 E CB 1.133 30.867 29.700 0.056 0.000 1.057 433 E HN 0.744 nan 8.360 nan 0.000 0.479 434 G N -1.138 107.695 108.800 0.055 0.000 2.346 434 G HA2 0.165 4.120 3.960 -0.008 0.000 0.294 434 G HA3 0.165 4.120 3.960 -0.008 0.000 0.294 434 G C 0.444 175.376 174.900 0.055 0.000 1.294 434 G CA 0.271 45.401 45.100 0.051 0.000 0.962 434 G HN 0.462 nan 8.290 nan 0.000 0.508 435 A N -1.148 121.702 122.820 0.051 0.000 1.903 435 A HA 0.268 4.583 4.320 -0.008 0.000 0.219 435 A C 1.318 178.946 177.584 0.073 0.000 1.191 435 A CA 2.677 54.746 52.037 0.054 0.000 0.638 435 A CB -0.522 18.507 19.000 0.048 0.000 0.823 435 A HN 1.704 nan 8.150 nan 0.000 0.451 436 V N 1.097 121.061 119.914 0.083 0.000 2.378 436 V HA 0.214 4.329 4.120 -0.008 0.000 0.288 436 V C -0.155 175.998 176.094 0.099 0.000 1.016 436 V CA -0.916 61.451 62.300 0.113 0.000 0.840 436 V CB 1.544 33.443 31.823 0.126 0.000 0.994 436 V HN 0.322 nan 8.190 nan 0.000 0.431 437 K N 4.867 125.334 120.400 0.112 0.000 2.368 437 K HA 0.478 4.793 4.320 -0.008 0.000 0.282 437 K C -0.215 176.438 176.600 0.088 0.000 1.035 437 K CA -0.135 56.214 56.287 0.105 0.000 0.973 437 K CB 0.950 33.527 32.500 0.128 0.000 0.957 437 K HN 0.591 nan 8.250 nan 0.000 0.474 438 R N 1.767 122.314 120.500 0.078 0.000 2.867 438 R HA 0.515 4.850 4.340 -0.008 0.000 0.268 438 R C -0.586 175.751 176.300 0.061 0.000 1.014 438 R CA -1.029 55.107 56.100 0.060 0.000 0.946 438 R CB 1.254 31.575 30.300 0.034 0.000 1.208 438 R HN 0.349 nan 8.270 nan 0.000 0.477 439 I N 1.676 122.278 120.570 0.053 0.000 2.378 439 I HA 0.190 4.355 4.170 -0.008 0.000 0.291 439 I C -0.386 175.718 176.117 -0.021 0.000 0.992 439 I CA -0.756 60.566 61.300 0.037 0.000 1.154 439 I CB 1.388 39.409 38.000 0.034 0.000 1.315 439 I HN 0.529 nan 8.210 nan 0.000 0.448 440 N N 7.081 125.742 118.700 -0.065 0.000 2.437 440 N HA 0.117 4.852 4.740 -0.008 0.000 0.243 440 N C 0.805 176.220 175.510 -0.158 0.000 1.041 440 N CA -0.372 52.557 53.050 -0.201 0.000 0.940 440 N CB 1.015 39.241 38.487 -0.436 0.000 1.133 440 N HN 0.386 nan 8.380 nan 0.000 0.506 441 M N 2.396 121.904 119.600 -0.153 0.000 2.229 441 M HA -0.069 4.406 4.480 -0.008 0.000 0.264 441 M C 1.951 178.112 176.300 -0.230 0.000 1.063 441 M CA 0.790 56.013 55.300 -0.127 0.000 1.114 441 M CB -1.558 31.006 32.600 -0.061 0.000 1.387 441 M HN 0.597 nan 8.290 nan 0.000 0.420 442 A N -0.626 122.049 122.820 -0.241 0.000 1.969 442 A HA -0.165 4.151 4.320 -0.008 0.000 0.218 442 A C 1.966 179.342 177.584 -0.346 0.000 1.169 442 A CA 1.393 53.257 52.037 -0.288 0.000 0.635 442 A CB -1.093 17.910 19.000 0.006 0.000 0.810 442 A HN 0.605 nan 8.150 nan 0.000 0.445 443 H N -1.208 117.658 119.070 -0.340 0.000 2.395 443 H HA 0.040 4.591 4.556 -0.008 0.000 0.299 443 H C 2.091 177.210 175.328 -0.349 0.000 1.070 443 H CA 0.833 56.638 56.048 -0.405 0.000 1.356 443 H CB 0.008 29.733 29.762 -0.061 0.000 1.401 443 H HN 0.385 nan 8.280 nan 0.000 0.524 444 L N 0.326 121.474 121.223 -0.125 0.000 2.046 444 L HA -0.221 4.114 4.340 -0.008 0.000 0.208 444 L C 2.156 178.900 176.870 -0.210 0.000 1.077 444 L CA 1.172 55.937 54.840 -0.125 0.000 0.747 444 L CB -0.314 41.694 42.059 -0.084 0.000 0.896 444 L HN 0.440 nan 8.230 nan 0.000 0.432 445 C N 0.011 119.086 119.300 -0.374 0.000 2.453 445 C HA -0.159 4.297 4.460 -0.008 0.000 0.277 445 C C 2.647 177.400 174.990 -0.396 0.000 1.262 445 C CA 0.559 59.278 59.018 -0.498 0.000 1.718 445 C CB -0.707 26.357 27.740 -1.127 0.000 2.031 445 C HN 0.511 nan 8.230 nan 0.000 0.480 446 I N 1.503 121.795 120.570 -0.464 0.000 2.179 446 I HA -0.228 3.937 4.170 -0.008 0.000 0.242 446 I C 2.768 178.741 176.117 -0.239 0.000 1.088 446 I CA 1.732 62.796 61.300 -0.393 0.000 1.357 446 I CB -0.612 36.998 38.000 -0.650 0.000 1.051 446 I HN 0.285 nan 8.210 nan 0.000 0.409 447 A N 0.634 123.291 122.820 -0.272 0.000 1.902 447 A HA -0.100 4.215 4.320 -0.008 0.000 0.217 447 A C 2.222 179.840 177.584 0.056 0.000 1.181 447 A CA 1.881 53.787 52.037 -0.218 0.000 0.623 447 A CB -1.180 17.483 19.000 -0.561 0.000 0.818 447 A HN 0.482 nan 8.150 nan 0.000 0.443 448 G N -1.062 107.723 108.800 -0.024 0.000 3.284 448 G HA2 0.412 4.368 3.960 -0.008 0.000 0.236 448 G HA3 0.412 4.368 3.960 -0.008 0.000 0.236 448 G C 0.087 174.821 174.900 -0.278 0.000 1.158 448 G CA 0.499 45.465 45.100 -0.224 0.000 0.774 448 G HN 0.353 nan 8.290 nan 0.000 0.545 449 S N -0.369 115.222 115.700 -0.181 0.000 2.536 449 S HA 0.325 4.790 4.470 -0.008 0.000 0.298 449 S C 0.679 175.210 174.600 -0.115 0.000 1.083 449 S CA -0.721 57.394 58.200 -0.143 0.000 0.995 449 S CB 1.278 64.403 63.200 -0.126 0.000 1.058 449 S HN 0.504 nan 8.310 nan 0.000 0.488 450 H N -0.160 118.867 119.070 -0.071 0.000 2.548 450 H HA 0.511 5.062 4.556 -0.008 0.000 0.265 450 H C 0.096 175.400 175.328 -0.040 0.000 0.969 450 H CA 0.214 56.243 56.048 -0.031 0.000 1.155 450 H CB 0.127 29.892 29.762 0.004 0.000 1.394 450 H HN 0.515 nan 8.280 nan 0.000 0.570 451 A N 0.931 123.431 122.820 -0.532 0.000 2.488 451 A HA 0.551 4.866 4.320 -0.008 0.000 0.298 451 A C -1.456 175.931 177.584 -0.328 0.000 1.044 451 A CA -0.573 51.218 52.037 -0.411 0.000 0.693 451 A CB 2.180 20.907 19.000 -0.456 0.000 1.272 451 A HN 0.097 nan 8.150 nan 0.000 0.402 452 V N 4.356 124.050 119.914 -0.367 0.000 2.525 452 V HA 0.506 4.621 4.120 -0.008 0.000 0.299 452 V C -0.783 175.144 176.094 -0.279 0.000 1.034 452 V CA -0.780 61.306 62.300 -0.355 0.000 0.863 452 V CB 1.761 33.239 31.823 -0.574 0.000 0.999 452 V HN 1.012 nan 8.190 nan 0.000 0.423 453 N N 3.276 121.827 118.700 -0.248 0.000 2.265 453 N HA 0.624 5.359 4.740 -0.008 0.000 0.300 453 N C -0.207 175.213 175.510 -0.149 0.000 1.148 453 N CA -0.362 52.581 53.050 -0.179 0.000 0.772 453 N CB 2.877 41.227 38.487 -0.228 0.000 1.434 453 N HN 0.617 nan 8.380 nan 0.000 0.481 454 G N -0.815 107.931 108.800 -0.090 0.000 2.535 454 G HA2 0.415 4.370 3.960 -0.008 0.000 0.303 454 G HA3 0.415 4.370 3.960 -0.008 0.000 0.303 454 G C 0.765 175.733 174.900 0.114 0.000 1.237 454 G CA -0.493 44.600 45.100 -0.011 0.000 0.986 454 G HN 0.627 nan 8.290 nan 0.000 0.494 455 V N -3.655 116.447 119.914 0.313 0.000 3.427 455 V HA 0.692 4.807 4.120 -0.008 0.000 0.305 455 V C 0.566 176.743 176.094 0.139 0.000 1.412 455 V CA 0.353 62.743 62.300 0.150 0.000 1.086 455 V CB -0.719 31.145 31.823 0.070 0.000 0.964 455 V HN 1.306 nan 8.190 nan 0.000 0.439 456 A N -0.045 122.867 122.820 0.155 0.000 2.594 456 A HA 0.631 4.946 4.320 -0.008 0.000 0.296 456 A C 0.720 178.354 177.584 0.084 0.000 1.061 456 A CA -0.124 51.980 52.037 0.112 0.000 0.689 456 A CB 1.315 20.370 19.000 0.092 0.000 1.280 456 A HN 0.048 nan 8.150 nan 0.000 0.406 457 R N 1.179 121.707 120.500 0.047 0.000 2.112 457 R HA -0.186 4.150 4.340 -0.008 0.000 0.242 457 R C 1.632 177.929 176.300 -0.005 0.000 1.137 457 R CA 2.401 58.505 56.100 0.008 0.000 0.944 457 R CB -0.244 30.056 30.300 0.001 0.000 0.857 457 R HN 0.838 nan 8.270 nan 0.000 0.435 458 I N 0.225 120.801 120.570 0.011 0.000 2.286 458 I HA -0.287 3.878 4.170 -0.008 0.000 0.248 458 I C 2.321 178.446 176.117 0.013 0.000 1.115 458 I CA 1.846 63.144 61.300 -0.002 0.000 1.392 458 I CB -0.227 37.772 38.000 -0.002 0.000 1.065 458 I HN 0.365 nan 8.210 nan 0.000 0.418 459 H N 0.149 119.189 119.070 -0.051 0.000 2.357 459 H HA -0.094 4.457 4.556 -0.008 0.000 0.301 459 H C 2.246 177.533 175.328 -0.068 0.000 1.082 459 H CA 2.088 58.100 56.048 -0.061 0.000 1.342 459 H CB -0.199 29.534 29.762 -0.048 0.000 1.389 459 H HN 0.214 nan 8.280 nan 0.000 0.511 460 S N 0.199 115.771 115.700 -0.213 0.000 2.383 460 S HA -0.108 4.357 4.470 -0.008 0.000 0.227 460 S C 1.870 176.334 174.600 -0.226 0.000 1.026 460 S CA 1.124 59.174 58.200 -0.251 0.000 0.981 460 S CB -0.051 63.078 63.200 -0.118 0.000 0.818 460 S HN 0.474 nan 8.310 nan 0.000 0.472 461 E N 1.141 121.237 120.200 -0.174 0.000 2.107 461 E HA 0.029 4.374 4.350 -0.008 0.000 0.191 461 E C 1.961 178.440 176.600 -0.201 0.000 0.982 461 E CA 0.601 56.891 56.400 -0.183 0.000 0.809 461 E CB -0.306 29.322 29.700 -0.121 0.000 0.756 461 E HN 0.507 nan 8.360 nan 0.000 0.459 462 I N 0.846 121.309 120.570 -0.178 0.000 2.394 462 I HA -0.240 3.925 4.170 -0.008 0.000 0.251 462 I C 2.282 178.260 176.117 -0.233 0.000 1.136 462 I CA 0.641 61.841 61.300 -0.167 0.000 1.425 462 I CB -0.147 37.787 38.000 -0.110 0.000 1.079 462 I HN 0.059 nan 8.210 nan 0.000 0.425 463 L N 0.297 121.338 121.223 -0.304 0.000 2.093 463 L HA -0.192 4.143 4.340 -0.008 0.000 0.208 463 L C 2.398 179.116 176.870 -0.253 0.000 1.085 463 L CA 1.433 56.088 54.840 -0.309 0.000 0.755 463 L CB -0.468 41.468 42.059 -0.204 0.000 0.904 463 L HN 0.174 nan 8.230 nan 0.000 0.435 464 K N -0.074 120.110 120.400 -0.360 0.000 2.228 464 K HA -0.074 4.241 4.320 -0.008 0.000 0.202 464 K C 1.858 178.263 176.600 -0.325 0.000 1.051 464 K CA 0.783 56.728 56.287 -0.571 0.000 0.960 464 K CB 0.168 32.077 32.500 -0.986 0.000 0.743 464 K HN 0.242 nan 8.250 nan 0.000 0.458 465 K N -0.497 119.769 120.400 -0.223 0.000 2.352 465 K HA 0.073 4.388 4.320 -0.008 0.000 0.194 465 K C 0.977 177.528 176.600 -0.082 0.000 1.038 465 K CA 0.664 56.878 56.287 -0.122 0.000 1.023 465 K CB 0.800 33.236 32.500 -0.107 0.000 0.840 465 K HN 0.017 nan 8.250 nan 0.000 0.519 466 T N 0.455 114.946 114.554 -0.106 0.000 3.216 466 T HA 0.104 4.449 4.350 -0.008 0.000 0.167 466 T C 1.497 176.153 174.700 -0.073 0.000 0.905 466 T CA -0.395 61.656 62.100 -0.081 0.000 1.042 466 T CB -0.099 68.711 68.868 -0.097 0.000 1.787 466 T HN -0.174 nan 8.240 nan 0.000 0.355 467 I N 1.421 121.882 120.570 -0.181 0.000 2.143 467 I HA -0.145 4.020 4.170 -0.008 0.000 0.245 467 I C 1.402 177.494 176.117 -0.042 0.000 1.068 467 I CA 2.087 63.225 61.300 -0.270 0.000 1.326 467 I CB -1.295 36.278 38.000 -0.712 0.000 1.028 467 I HN 0.334 nan 8.210 nan 0.000 0.412 468 F N 0.166 120.174 119.950 0.098 0.000 2.791 468 F HA 0.223 4.745 4.527 -0.008 0.000 0.308 468 F C 1.910 177.783 175.800 0.122 0.000 1.138 468 F CA -0.502 57.622 58.000 0.207 0.000 1.294 468 F CB 0.097 39.214 39.000 0.195 0.000 0.975 468 F HN -0.055 nan 8.300 nan 0.000 0.512 469 K N 1.111 121.629 120.400 0.196 0.000 2.044 469 K HA -0.217 4.098 4.320 -0.008 0.000 0.210 469 K C 1.355 178.024 176.600 0.115 0.000 1.049 469 K CA 2.231 58.584 56.287 0.110 0.000 0.927 469 K CB -0.011 32.518 32.500 0.048 0.000 0.713 469 K HN 0.198 nan 8.250 nan 0.000 0.443 470 D N -0.110 120.339 120.400 0.082 0.000 2.123 470 D HA -0.175 4.460 4.640 -0.008 0.000 0.196 470 D C 1.877 178.114 176.300 -0.105 0.000 0.992 470 D CA 1.335 55.261 54.000 -0.123 0.000 0.833 470 D CB -0.365 40.271 40.800 -0.273 0.000 0.954 470 D HN 0.246 nan 8.370 nan 0.000 0.455 471 F N 0.040 120.074 119.950 0.140 0.000 2.146 471 F HA -0.165 4.357 4.527 -0.008 0.000 0.298 471 F C 2.390 178.365 175.800 0.292 0.000 1.096 471 F CA 0.571 58.732 58.000 0.269 0.000 1.275 471 F CB -0.669 38.552 39.000 0.368 0.000 1.008 471 F HN -0.038 nan 8.300 nan 0.000 0.480 472 Y N 1.523 121.838 120.300 0.025 0.000 2.181 472 Y HA -0.215 4.330 4.550 -0.008 0.000 0.288 472 Y C 2.074 177.986 175.900 0.020 0.000 1.146 472 Y CA 1.674 59.603 58.100 -0.285 0.000 1.164 472 Y CB -0.684 37.408 38.460 -0.613 0.000 0.982 472 Y HN 0.170 nan 8.280 nan 0.000 0.515 473 E N -0.225 119.902 120.200 -0.123 0.000 2.208 473 E HA -0.164 4.181 4.350 -0.008 0.000 0.193 473 E C 2.230 178.876 176.600 0.076 0.000 0.988 473 E CA 0.841 57.170 56.400 -0.118 0.000 0.828 473 E CB -0.186 29.504 29.700 -0.016 0.000 0.763 473 E HN 0.439 nan 8.360 nan 0.000 0.478 474 L N 0.811 122.128 121.223 0.156 0.000 2.095 474 L HA -0.035 4.300 4.340 -0.008 0.000 0.204 474 L C 0.213 177.188 176.870 0.175 0.000 1.080 474 L CA 1.532 56.508 54.840 0.226 0.000 0.759 474 L CB 0.200 42.383 42.059 0.205 0.000 0.914 474 L HN 0.026 nan 8.230 nan 0.000 0.439 475 E N 0.094 120.398 120.200 0.174 0.000 3.352 475 E HA 0.151 4.496 4.350 -0.008 0.000 0.254 475 E C -1.891 174.714 176.600 0.009 0.000 1.229 475 E CA -1.232 55.197 56.400 0.048 0.000 0.949 475 E CB 0.933 30.606 29.700 -0.045 0.000 1.373 475 E HN 0.208 nan 8.360 nan 0.000 0.392 476 P HA -0.260 nan 4.420 nan 0.000 0.218 476 P C 1.167 178.640 177.300 0.290 0.000 1.146 476 P CA 1.432 64.549 63.100 0.028 0.000 0.813 476 P CB -0.022 31.535 31.700 -0.238 0.000 0.778 477 H N 0.295 119.492 119.070 0.212 0.000 2.457 477 H HA 0.051 4.602 4.556 -0.008 0.000 0.294 477 H C 1.522 176.946 175.328 0.159 0.000 1.064 477 H CA 0.862 57.013 56.048 0.172 0.000 1.330 477 H CB -0.800 29.029 29.762 0.113 0.000 1.395 477 H HN 0.167 nan 8.280 nan 0.000 0.541 478 K N 0.327 120.612 120.400 -0.193 0.000 2.155 478 K HA 0.025 4.340 4.320 -0.008 0.000 0.203 478 K C -0.047 176.385 176.600 -0.280 0.000 1.052 478 K CA 0.310 56.449 56.287 -0.247 0.000 0.948 478 K CB 0.028 32.248 32.500 -0.467 0.000 0.728 478 K HN 0.097 nan 8.250 nan 0.000 0.448 479 F N 1.860 121.837 119.950 0.046 0.000 2.438 479 F HA 0.138 4.660 4.527 -0.008 0.000 0.356 479 F C 0.547 176.343 175.800 -0.008 0.000 1.099 479 F CA 0.010 58.030 58.000 0.034 0.000 1.185 479 F CB 0.764 39.822 39.000 0.097 0.000 1.115 479 F HN -0.069 nan 8.300 nan 0.000 0.526 480 Q N 1.635 121.464 119.800 0.049 0.000 2.615 480 Q HA 0.360 4.696 4.340 -0.008 0.000 0.298 480 Q C -1.242 174.716 176.000 -0.070 0.000 1.023 480 Q CA -1.280 54.506 55.803 -0.029 0.000 0.768 480 Q CB 3.060 31.729 28.738 -0.114 0.000 1.500 480 Q HN 0.635 nan 8.270 nan 0.000 0.441 481 N N 0.596 119.236 118.700 -0.099 0.000 2.238 481 N HA 0.306 5.041 4.740 -0.008 0.000 0.302 481 N C -1.530 173.885 175.510 -0.158 0.000 1.072 481 N CA -0.405 52.585 53.050 -0.100 0.000 0.792 481 N CB 1.153 39.604 38.487 -0.061 0.000 1.425 481 N HN 0.284 nan 8.380 nan 0.000 0.478 482 K N 2.640 122.954 120.400 -0.144 0.000 2.803 482 K HA 0.175 4.490 4.320 -0.008 0.000 0.229 482 K C -1.023 175.592 176.600 0.025 0.000 1.084 482 K CA -0.455 55.722 56.287 -0.182 0.000 1.063 482 K CB 1.059 33.230 32.500 -0.549 0.000 1.254 482 K HN 0.560 nan 8.250 nan 0.000 0.551 483 T N 1.896 116.481 114.554 0.051 0.000 2.908 483 T HA 0.044 4.389 4.350 -0.008 0.000 0.301 483 T C 0.801 175.631 174.700 0.216 0.000 1.019 483 T CA 0.424 62.603 62.100 0.133 0.000 1.152 483 T CB 0.284 69.231 68.868 0.132 0.000 0.966 483 T HN 0.338 nan 8.240 nan 0.000 0.540 484 N N 0.580 119.428 118.700 0.246 0.000 2.297 484 N HA 0.432 5.167 4.740 -0.008 0.000 0.232 484 N C 0.481 176.175 175.510 0.306 0.000 1.311 484 N CA -0.258 52.970 53.050 0.297 0.000 0.897 484 N CB 0.414 39.019 38.487 0.196 0.000 1.137 484 N HN 0.764 nan 8.380 nan 0.000 0.449 485 G N -0.661 108.327 108.800 0.314 0.000 2.649 485 G HA2 0.592 4.547 3.960 -0.008 0.000 0.290 485 G HA3 0.592 4.547 3.960 -0.008 0.000 0.290 485 G C -1.397 173.637 174.900 0.222 0.000 1.426 485 G CA -0.741 44.529 45.100 0.284 0.000 0.794 485 G HN 0.595 nan 8.290 nan 0.000 0.483 486 I N -2.294 118.391 120.570 0.191 0.000 2.785 486 I HA 0.756 4.922 4.170 -0.008 0.000 0.302 486 I C -0.226 176.046 176.117 0.259 0.000 1.069 486 I CA -0.938 60.469 61.300 0.178 0.000 1.045 486 I CB 2.469 40.461 38.000 -0.013 0.000 1.236 486 I HN 0.485 nan 8.210 nan 0.000 0.429 487 T N 4.435 119.199 114.554 0.350 0.000 2.794 487 T HA 0.342 4.687 4.350 -0.008 0.000 0.296 487 T C -1.320 173.497 174.700 0.195 0.000 0.949 487 T CA -1.623 60.606 62.100 0.216 0.000 1.101 487 T CB 0.752 69.695 68.868 0.124 0.000 0.905 487 T HN 0.641 nan 8.240 nan 0.000 0.516 488 P HA 0.018 nan 4.420 nan 0.000 0.233 488 P C 1.081 178.346 177.300 -0.058 0.000 1.167 488 P CA 0.356 63.490 63.100 0.058 0.000 0.770 488 P CB 0.407 32.124 31.700 0.028 0.000 0.837 489 R N 0.525 120.943 120.500 -0.136 0.000 2.060 489 R HA 0.006 4.341 4.340 -0.008 0.000 0.225 489 R C 2.748 178.932 176.300 -0.192 0.000 1.155 489 R CA 1.578 57.554 56.100 -0.207 0.000 0.930 489 R CB -1.232 28.948 30.300 -0.200 0.000 0.829 489 R HN 0.043 nan 8.270 nan 0.000 0.433 490 R N -0.715 119.619 120.500 -0.278 0.000 2.075 490 R HA -0.118 4.217 4.340 -0.008 0.000 0.232 490 R C 1.199 177.164 176.300 -0.558 0.000 1.126 490 R CA 1.619 57.416 56.100 -0.504 0.000 0.963 490 R CB -0.236 29.592 30.300 -0.786 0.000 0.858 490 R HN 0.298 nan 8.270 nan 0.000 0.435 491 W N 0.084 121.340 121.300 -0.073 0.000 3.377 491 W HA 0.104 4.759 4.660 -0.009 0.000 0.277 491 W C 1.003 177.491 176.519 -0.052 0.000 1.311 491 W CA -0.611 56.689 57.345 -0.074 0.000 1.703 491 W CB 0.334 29.753 29.460 -0.069 0.000 1.095 491 W HN 0.257 nan 8.180 nan 0.000 0.715 492 L N -2.551 118.724 121.223 0.087 0.000 2.604 492 L HA 0.150 4.485 4.340 -0.008 0.000 0.150 492 L C 1.783 178.673 176.870 0.032 0.000 1.292 492 L CA 0.704 55.595 54.840 0.085 0.000 0.977 492 L CB -0.893 41.240 42.059 0.124 0.000 1.943 492 L HN -0.265 nan 8.230 nan 0.000 0.508 493 V N 1.250 121.159 119.914 -0.007 0.000 2.252 493 V HA -0.300 3.815 4.120 -0.008 0.000 0.249 493 V C 2.454 178.526 176.094 -0.036 0.000 1.056 493 V CA 2.600 64.886 62.300 -0.023 0.000 1.022 493 V CB -0.731 31.047 31.823 -0.075 0.000 0.641 493 V HN 0.517 nan 8.190 nan 0.000 0.445 494 L N 0.442 121.615 121.223 -0.083 0.000 2.005 494 L HA -0.197 4.138 4.340 -0.008 0.000 0.207 494 L C 2.465 179.280 176.870 -0.090 0.000 1.072 494 L CA 2.427 57.204 54.840 -0.105 0.000 0.744 494 L CB -0.266 41.683 42.059 -0.184 0.000 0.895 494 L HN 0.685 nan 8.230 nan 0.000 0.433 495 C N -1.878 117.363 119.300 -0.097 0.000 2.594 495 C HA 0.214 4.669 4.460 -0.008 0.000 0.265 495 C C 1.153 176.137 174.990 -0.010 0.000 1.351 495 C CA -0.309 58.672 59.018 -0.061 0.000 1.744 495 C CB -1.006 26.698 27.740 -0.059 0.000 1.890 495 C HN 0.594 nan 8.230 nan 0.000 0.551 496 N N 1.080 119.783 118.700 0.006 0.000 2.687 496 N HA 0.262 4.997 4.740 -0.008 0.000 0.275 496 N C -1.668 173.862 175.510 0.032 0.000 1.789 496 N CA -1.513 51.551 53.050 0.025 0.000 0.806 496 N CB 0.721 39.231 38.487 0.039 0.000 1.256 496 N HN 0.247 nan 8.380 nan 0.000 0.500 497 P HA -0.065 nan 4.420 nan 0.000 0.218 497 P C 1.359 178.681 177.300 0.037 0.000 1.148 497 P CA 0.966 64.084 63.100 0.029 0.000 0.822 497 P CB 0.237 31.947 31.700 0.016 0.000 0.784 498 G N 0.459 109.277 108.800 0.030 0.000 2.418 498 G HA2 -0.223 3.732 3.960 -0.008 0.000 0.217 498 G HA3 -0.223 3.732 3.960 -0.008 0.000 0.217 498 G C 1.504 176.422 174.900 0.030 0.000 1.158 498 G CA 0.530 45.646 45.100 0.026 0.000 0.771 498 G HN 0.259 nan 8.290 nan 0.000 0.545 499 L N 1.101 122.345 121.223 0.035 0.000 2.131 499 L HA 0.358 4.693 4.340 -0.008 0.000 0.206 499 L C 2.973 179.885 176.870 0.070 0.000 1.087 499 L CA 1.777 56.638 54.840 0.035 0.000 0.767 499 L CB -0.608 41.471 42.059 0.032 0.000 0.917 499 L HN 0.204 nan 8.230 nan 0.000 0.441 500 A N -0.691 122.190 122.820 0.100 0.000 1.933 500 A HA -0.224 4.091 4.320 -0.008 0.000 0.218 500 A C 2.222 179.909 177.584 0.172 0.000 1.175 500 A CA 1.701 53.847 52.037 0.183 0.000 0.628 500 A CB -0.600 18.494 19.000 0.157 0.000 0.814 500 A HN 0.518 nan 8.150 nan 0.000 0.444 501 E N 0.780 121.043 120.200 0.104 0.000 2.015 501 E HA -0.171 4.174 4.350 -0.008 0.000 0.191 501 E C 1.871 178.516 176.600 0.075 0.000 0.991 501 E CA 1.656 58.106 56.400 0.083 0.000 0.802 501 E CB -0.551 29.180 29.700 0.052 0.000 0.759 501 E HN 0.715 nan 8.360 nan 0.000 0.447 502 I N -1.491 119.121 120.570 0.070 0.000 2.530 502 I HA -0.173 3.992 4.170 -0.008 0.000 0.257 502 I C 2.038 178.228 176.117 0.123 0.000 1.179 502 I CA 1.238 62.595 61.300 0.094 0.000 1.440 502 I CB -0.336 37.721 38.000 0.095 0.000 1.087 502 I HN 0.059 nan 8.210 nan 0.000 0.440 503 I N 1.628 122.247 120.570 0.081 0.000 2.400 503 I HA -0.084 4.081 4.170 -0.008 0.000 0.248 503 I C 2.981 179.047 176.117 -0.085 0.000 1.109 503 I CA 1.025 62.300 61.300 -0.042 0.000 1.425 503 I CB -0.404 37.479 38.000 -0.196 0.000 1.094 503 I HN 0.269 nan 8.210 nan 0.000 0.425 504 A N 0.537 123.399 122.820 0.070 0.000 1.933 504 A HA -0.221 4.094 4.320 -0.008 0.000 0.218 504 A C 2.137 179.745 177.584 0.039 0.000 1.175 504 A CA 1.531 53.656 52.037 0.147 0.000 0.628 504 A CB -0.577 18.540 19.000 0.195 0.000 0.814 504 A HN 0.407 nan 8.150 nan 0.000 0.444 505 E N -0.753 119.451 120.200 0.007 0.000 2.267 505 E HA -0.197 4.149 4.350 -0.008 0.000 0.197 505 E C 2.113 178.663 176.600 -0.084 0.000 0.998 505 E CA 1.128 57.514 56.400 -0.022 0.000 0.830 505 E CB 0.007 29.701 29.700 -0.011 0.000 0.751 505 E HN 0.550 nan 8.360 nan 0.000 0.491 506 R N -0.240 120.152 120.500 -0.180 0.000 2.164 506 R HA 0.133 4.468 4.340 -0.008 0.000 0.198 506 R C 2.226 178.433 176.300 -0.156 0.000 1.028 506 R CA 0.659 56.582 56.100 -0.295 0.000 1.083 506 R CB 0.001 29.813 30.300 -0.814 0.000 1.026 506 R HN 0.260 nan 8.270 nan 0.000 0.514 507 I N -2.441 118.054 120.570 -0.124 0.000 4.154 507 I HA 0.441 4.606 4.170 -0.008 0.000 0.334 507 I C 0.388 176.539 176.117 0.056 0.000 1.371 507 I CA 0.041 61.328 61.300 -0.023 0.000 1.110 507 I CB 0.859 38.833 38.000 -0.043 0.000 1.085 507 I HN 0.176 nan 8.210 nan 0.000 0.398 508 G N 2.278 111.122 108.800 0.074 0.000 2.660 508 G HA2 -0.196 3.759 3.960 -0.008 0.000 0.247 508 G HA3 -0.196 3.759 3.960 -0.008 0.000 0.247 508 G C -0.163 174.869 174.900 0.221 0.000 1.328 508 G CA 0.035 45.204 45.100 0.115 0.000 0.884 508 G HN 0.468 nan 8.290 nan 0.000 0.531 509 E N -0.153 120.132 120.200 0.143 0.000 2.501 509 E HA 0.145 4.490 4.350 -0.008 0.000 0.201 509 E C 1.639 178.213 176.600 -0.042 0.000 1.016 509 E CA 0.178 56.613 56.400 0.059 0.000 0.920 509 E CB 0.576 30.293 29.700 0.028 0.000 1.023 509 E HN 0.645 nan 8.360 nan 0.000 0.474 510 E N 0.393 120.633 120.200 0.066 0.000 2.204 510 E HA -0.177 4.168 4.350 -0.008 0.000 0.194 510 E C 1.616 178.222 176.600 0.010 0.000 0.989 510 E CA 0.895 57.319 56.400 0.040 0.000 0.824 510 E CB -0.133 29.611 29.700 0.073 0.000 0.756 510 E HN 0.470 nan 8.360 nan 0.000 0.477 511 Y N -0.186 120.123 120.300 0.014 0.000 2.274 511 Y HA -0.128 4.418 4.550 -0.007 0.000 0.290 511 Y C 1.827 177.709 175.900 -0.030 0.000 1.145 511 Y CA 0.669 58.769 58.100 0.000 0.000 1.203 511 Y CB -0.713 37.750 38.460 0.006 0.000 0.984 511 Y HN -0.076 nan 8.280 nan 0.000 0.533 512 I N 1.066 121.097 120.570 -0.898 0.000 2.300 512 I HA -0.301 3.864 4.170 -0.008 0.000 0.252 512 I C 1.744 177.596 176.117 -0.441 0.000 1.119 512 I CA 2.043 62.892 61.300 -0.751 0.000 1.384 512 I CB -0.472 37.036 38.000 -0.820 0.000 1.062 512 I HN 0.528 nan 8.210 nan 0.000 0.426 513 S N -2.191 113.365 115.700 -0.240 0.000 2.663 513 S HA 0.177 4.642 4.470 -0.008 0.000 0.243 513 S C 0.142 174.727 174.600 -0.025 0.000 1.009 513 S CA -0.499 57.640 58.200 -0.102 0.000 0.988 513 S CB 0.405 63.623 63.200 0.030 0.000 0.896 513 S HN 0.313 nan 8.310 nan 0.000 0.502 514 D N 0.825 121.219 120.400 -0.009 0.000 2.934 514 D HA 0.225 4.860 4.640 -0.008 0.000 0.249 514 D C 0.639 176.985 176.300 0.078 0.000 1.293 514 D CA -0.328 53.692 54.000 0.033 0.000 0.812 514 D CB -0.091 40.734 40.800 0.041 0.000 1.439 514 D HN 0.143 nan 8.370 nan 0.000 0.555 515 L N 0.586 121.856 121.223 0.078 0.000 2.261 515 L HA -0.138 4.197 4.340 -0.008 0.000 0.216 515 L C 1.259 178.185 176.870 0.092 0.000 1.114 515 L CA 1.044 55.960 54.840 0.127 0.000 0.777 515 L CB 0.034 42.158 42.059 0.109 0.000 0.910 515 L HN 0.321 nan 8.230 nan 0.000 0.440 516 D N -0.194 120.235 120.400 0.049 0.000 2.182 516 D HA -0.227 4.408 4.640 -0.008 0.000 0.201 516 D C 2.066 178.389 176.300 0.039 0.000 0.986 516 D CA 1.030 55.044 54.000 0.024 0.000 0.847 516 D CB -0.057 40.745 40.800 0.003 0.000 0.942 516 D HN 0.480 nan 8.370 nan 0.000 0.467 517 Q N -0.219 119.621 119.800 0.067 0.000 2.368 517 Q HA -0.128 4.207 4.340 -0.008 0.000 0.210 517 Q C 1.868 177.891 176.000 0.038 0.000 0.982 517 Q CA 0.170 56.013 55.803 0.067 0.000 0.884 517 Q CB -0.003 28.801 28.738 0.111 0.000 0.933 517 Q HN 0.181 nan 8.270 nan 0.000 0.460 518 L N 0.587 121.829 121.223 0.032 0.000 2.349 518 L HA -0.173 4.162 4.340 -0.008 0.000 0.220 518 L C 1.971 178.843 176.870 0.003 0.000 1.130 518 L CA 1.521 56.346 54.840 -0.025 0.000 0.791 518 L CB -0.335 41.723 42.059 -0.000 0.000 0.918 518 L HN 0.103 nan 8.230 nan 0.000 0.444 519 R N -0.735 119.775 120.500 0.018 0.000 2.152 519 R HA -0.159 4.176 4.340 -0.008 0.000 0.232 519 R C 1.996 178.308 176.300 0.020 0.000 1.117 519 R CA 0.950 57.062 56.100 0.020 0.000 0.981 519 R CB -0.144 30.163 30.300 0.011 0.000 0.870 519 R HN 0.383 nan 8.270 nan 0.000 0.451 520 K N 0.513 120.925 120.400 0.020 0.000 2.280 520 K HA -0.105 4.210 4.320 -0.008 0.000 0.202 520 K C 1.740 178.389 176.600 0.081 0.000 1.047 520 K CA 0.831 57.137 56.287 0.031 0.000 0.942 520 K CB -0.043 32.481 32.500 0.041 0.000 0.739 520 K HN 0.229 nan 8.250 nan 0.000 0.457 521 L N 0.682 121.953 121.223 0.081 0.000 2.465 521 L HA -0.120 4.215 4.340 -0.008 0.000 0.224 521 L C 1.930 178.896 176.870 0.159 0.000 1.145 521 L CA -0.013 54.917 54.840 0.151 0.000 0.834 521 L CB -0.204 41.900 42.059 0.075 0.000 0.944 521 L HN 0.139 nan 8.230 nan 0.000 0.451 522 L N 0.062 121.329 121.223 0.073 0.000 2.191 522 L HA -0.169 4.166 4.340 -0.008 0.000 0.212 522 L C 2.427 179.290 176.870 -0.011 0.000 1.103 522 L CA 1.744 56.609 54.840 0.041 0.000 0.769 522 L CB -0.463 41.604 42.059 0.014 0.000 0.908 522 L HN 0.306 nan 8.230 nan 0.000 0.438 523 S N -2.865 112.769 115.700 -0.110 0.000 2.679 523 S HA 0.052 4.517 4.470 -0.008 0.000 0.233 523 S C 0.756 175.080 174.600 -0.460 0.000 0.951 523 S CA -0.166 57.875 58.200 -0.265 0.000 0.973 523 S CB -0.500 62.499 63.200 -0.334 0.000 0.778 523 S HN 0.410 nan 8.310 nan 0.000 0.477 524 Y N -0.759 119.504 120.300 -0.062 0.000 2.527 524 Y HA 0.388 4.936 4.550 -0.003 0.000 0.247 524 Y C 1.849 177.813 175.900 0.107 0.000 1.138 524 Y CA -0.718 57.344 58.100 -0.064 0.000 1.228 524 Y CB 0.222 38.460 38.460 -0.370 0.000 1.252 524 Y HN 0.301 nan 8.280 nan 0.000 0.531 525 V N 0.423 120.446 119.914 0.181 0.000 2.568 525 V HA -0.223 3.892 4.120 -0.008 0.000 0.253 525 V C 0.899 177.067 176.094 0.125 0.000 1.072 525 V CA 2.371 64.769 62.300 0.163 0.000 1.084 525 V CB 0.009 31.885 31.823 0.088 0.000 0.676 525 V HN 0.291 nan 8.190 nan 0.000 0.469 526 D N -0.566 119.888 120.400 0.091 0.000 2.395 526 D HA 0.139 4.774 4.640 -0.008 0.000 0.213 526 D C 0.217 176.571 176.300 0.089 0.000 1.110 526 D CA 0.010 54.051 54.000 0.068 0.000 0.835 526 D CB 0.080 40.897 40.800 0.028 0.000 0.965 526 D HN 0.456 nan 8.370 nan 0.000 0.505 527 D N 1.541 122.032 120.400 0.152 0.000 2.336 527 D HA -0.006 4.629 4.640 -0.008 0.000 0.249 527 D C 1.304 177.713 176.300 0.180 0.000 1.213 527 D CA 0.008 54.117 54.000 0.181 0.000 0.870 527 D CB 1.043 42.020 40.800 0.295 0.000 1.076 527 D HN -0.171 nan 8.370 nan 0.000 0.483 528 E N 2.929 123.199 120.200 0.117 0.000 2.118 528 E HA -0.202 4.143 4.350 -0.008 0.000 0.195 528 E C 1.627 178.285 176.600 0.097 0.000 0.992 528 E CA 1.139 57.592 56.400 0.089 0.000 0.804 528 E CB -0.116 29.619 29.700 0.058 0.000 0.741 528 E HN 0.647 nan 8.360 nan 0.000 0.458 529 A N 0.388 123.280 122.820 0.120 0.000 1.898 529 A HA -0.125 4.190 4.320 -0.008 0.000 0.216 529 A C 2.104 179.785 177.584 0.162 0.000 1.181 529 A CA 0.931 53.037 52.037 0.115 0.000 0.620 529 A CB -0.796 18.269 19.000 0.108 0.000 0.819 529 A HN 0.287 nan 8.150 nan 0.000 0.442 530 F N 0.347 120.311 119.950 0.022 0.000 2.113 530 F HA -0.120 4.403 4.527 -0.007 0.000 0.297 530 F C 2.086 177.892 175.800 0.011 0.000 1.103 530 F CA 1.380 59.380 58.000 -0.001 0.000 1.248 530 F CB -0.066 38.944 39.000 0.018 0.000 0.999 530 F HN 0.141 nan 8.300 nan 0.000 0.475 531 I N 0.335 120.936 120.570 0.051 0.000 2.194 531 I HA -0.365 3.800 4.170 -0.008 0.000 0.246 531 I C 2.596 178.664 176.117 -0.082 0.000 1.093 531 I CA 1.697 62.967 61.300 -0.049 0.000 1.355 531 I CB -0.570 37.448 38.000 0.030 0.000 1.046 531 I HN 0.150 nan 8.210 nan 0.000 0.413 532 R N 0.875 121.356 120.500 -0.033 0.000 2.092 532 R HA -0.184 4.151 4.340 -0.008 0.000 0.231 532 R C 1.822 178.083 176.300 -0.065 0.000 1.119 532 R CA 1.820 57.899 56.100 -0.036 0.000 0.970 532 R CB -0.126 30.170 30.300 -0.006 0.000 0.864 532 R HN 0.299 nan 8.270 nan 0.000 0.440 533 D N -0.053 120.296 120.400 -0.086 0.000 2.097 533 D HA -0.111 4.524 4.640 -0.008 0.000 0.197 533 D C 1.992 178.188 176.300 -0.174 0.000 0.984 533 D CA 1.226 55.166 54.000 -0.100 0.000 0.826 533 D CB -0.162 40.607 40.800 -0.052 0.000 0.973 533 D HN 0.081 nan 8.370 nan 0.000 0.460 534 V N 1.643 121.356 119.914 -0.336 0.000 2.287 534 V HA -0.257 3.858 4.120 -0.008 0.000 0.248 534 V C 2.544 178.549 176.094 -0.149 0.000 1.053 534 V CA 1.947 64.052 62.300 -0.324 0.000 1.027 534 V CB -0.819 30.716 31.823 -0.480 0.000 0.646 534 V HN 0.184 nan 8.190 nan 0.000 0.447 535 A N -0.638 122.112 122.820 -0.116 0.000 1.972 535 A HA -0.239 4.076 4.320 -0.008 0.000 0.219 535 A C 2.350 179.901 177.584 -0.055 0.000 1.169 535 A CA 2.046 54.049 52.037 -0.057 0.000 0.635 535 A CB -0.425 18.545 19.000 -0.050 0.000 0.810 535 A HN 0.539 nan 8.150 nan 0.000 0.446 536 K N -0.335 120.029 120.400 -0.060 0.000 2.103 536 K HA -0.020 4.295 4.320 -0.008 0.000 0.204 536 K C 1.774 178.354 176.600 -0.033 0.000 1.052 536 K CA 1.216 57.477 56.287 -0.043 0.000 0.945 536 K CB -0.156 32.323 32.500 -0.035 0.000 0.722 536 K HN 0.223 nan 8.250 nan 0.000 0.443 537 V N 1.813 121.703 119.914 -0.040 0.000 2.295 537 V HA -0.247 3.868 4.120 -0.008 0.000 0.246 537 V C 2.346 178.434 176.094 -0.011 0.000 1.049 537 V CA 1.945 64.232 62.300 -0.022 0.000 1.024 537 V CB -0.455 31.351 31.823 -0.028 0.000 0.648 537 V HN 0.333 nan 8.190 nan 0.000 0.447 538 K N 0.127 120.517 120.400 -0.016 0.000 2.009 538 K HA -0.225 4.090 4.320 -0.008 0.000 0.210 538 K C 2.246 178.829 176.600 -0.029 0.000 1.049 538 K CA 1.663 57.946 56.287 -0.006 0.000 0.929 538 K CB -0.615 31.893 32.500 0.013 0.000 0.714 538 K HN 0.272 nan 8.250 nan 0.000 0.440 539 Q N 1.040 120.814 119.800 -0.044 0.000 2.112 539 Q HA -0.178 4.157 4.340 -0.008 0.000 0.206 539 Q C 1.857 177.844 176.000 -0.022 0.000 0.987 539 Q CA 1.953 57.722 55.803 -0.057 0.000 0.858 539 Q CB -0.161 28.546 28.738 -0.051 0.000 0.905 539 Q HN 0.546 nan 8.270 nan 0.000 0.420 540 E N -0.297 119.902 120.200 -0.002 0.000 2.077 540 E HA -0.145 4.200 4.350 -0.008 0.000 0.193 540 E C 1.783 178.415 176.600 0.053 0.000 0.989 540 E CA 0.882 57.296 56.400 0.023 0.000 0.800 540 E CB -0.086 29.625 29.700 0.019 0.000 0.746 540 E HN 0.366 nan 8.360 nan 0.000 0.452 541 N N 1.206 119.936 118.700 0.050 0.000 2.120 541 N HA -0.144 4.592 4.740 -0.008 0.000 0.188 541 N C 1.553 177.156 175.510 0.156 0.000 1.024 541 N CA 1.089 54.191 53.050 0.087 0.000 0.852 541 N CB -0.121 38.401 38.487 0.058 0.000 1.003 541 N HN 0.162 nan 8.380 nan 0.000 0.424 542 K N 0.614 121.073 120.400 0.098 0.000 2.097 542 K HA 0.010 4.325 4.320 -0.008 0.000 0.205 542 K C 2.132 178.884 176.600 0.253 0.000 1.050 542 K CA 0.636 57.014 56.287 0.151 0.000 0.938 542 K CB -0.132 32.189 32.500 -0.299 0.000 0.718 542 K HN 0.123 nan 8.250 nan 0.000 0.442 543 L N 1.149 122.455 121.223 0.138 0.000 2.027 543 L HA -0.180 4.155 4.340 -0.008 0.000 0.206 543 L C 2.640 179.612 176.870 0.169 0.000 1.074 543 L CA 1.274 56.196 54.840 0.136 0.000 0.745 543 L CB -0.334 41.772 42.059 0.078 0.000 0.898 543 L HN 0.167 nan 8.230 nan 0.000 0.433 544 K N -0.213 120.291 120.400 0.175 0.000 2.057 544 K HA -0.239 4.076 4.320 -0.008 0.000 0.207 544 K C 2.183 178.941 176.600 0.264 0.000 1.049 544 K CA 1.622 58.021 56.287 0.185 0.000 0.931 544 K CB -0.142 32.456 32.500 0.164 0.000 0.714 544 K HN 0.087 nan 8.250 nan 0.000 0.440 545 F N 1.074 121.125 119.950 0.168 0.000 2.206 545 F HA 0.017 4.539 4.527 -0.008 0.000 0.298 545 F C 1.968 177.909 175.800 0.235 0.000 1.090 545 F CA 1.062 59.173 58.000 0.185 0.000 1.323 545 F CB -0.370 38.731 39.000 0.168 0.000 1.028 545 F HN 0.067 nan 8.300 nan 0.000 0.492 546 A N 0.161 123.139 122.820 0.263 0.000 1.972 546 A HA -0.056 4.260 4.320 -0.008 0.000 0.219 546 A C 2.368 179.978 177.584 0.043 0.000 1.169 546 A CA 1.726 53.857 52.037 0.157 0.000 0.635 546 A CB -1.379 17.786 19.000 0.275 0.000 0.810 546 A HN 0.452 nan 8.150 nan 0.000 0.446 547 A N -1.607 121.255 122.820 0.070 0.000 1.874 547 A HA 0.001 4.316 4.320 -0.008 0.000 0.214 547 A C 2.072 179.659 177.584 0.005 0.000 1.189 547 A CA 1.373 53.430 52.037 0.034 0.000 0.615 547 A CB -0.854 18.179 19.000 0.056 0.000 0.830 547 A HN 0.671 nan 8.150 nan 0.000 0.443 548 Y N 0.376 120.610 120.300 -0.109 0.000 2.139 548 Y HA -0.253 4.292 4.550 -0.008 0.000 0.282 548 Y C 1.830 177.639 175.900 -0.151 0.000 1.179 548 Y CA 1.941 59.961 58.100 -0.133 0.000 1.161 548 Y CB -0.319 38.049 38.460 -0.154 0.000 0.970 548 Y HN 0.208 nan 8.280 nan 0.000 0.511 549 L N 0.461 121.659 121.223 -0.042 0.000 2.131 549 L HA -0.179 4.156 4.340 -0.008 0.000 0.210 549 L C 2.250 179.116 176.870 -0.006 0.000 1.092 549 L CA 1.858 56.691 54.840 -0.011 0.000 0.759 549 L CB -0.731 41.235 42.059 -0.155 0.000 0.903 549 L HN 0.319 nan 8.230 nan 0.000 0.435 550 E N -1.195 118.965 120.200 -0.067 0.000 2.086 550 E HA -0.114 4.231 4.350 -0.008 0.000 0.190 550 E C 2.240 178.771 176.600 -0.115 0.000 0.975 550 E CA 0.457 56.808 56.400 -0.082 0.000 0.813 550 E CB -0.018 29.622 29.700 -0.100 0.000 0.768 550 E HN 0.418 nan 8.360 nan 0.000 0.457 551 R N 1.377 121.779 120.500 -0.164 0.000 2.109 551 R HA -0.137 4.198 4.340 -0.008 0.000 0.227 551 R C 1.856 177.988 176.300 -0.280 0.000 1.132 551 R CA 1.640 57.614 56.100 -0.209 0.000 0.907 551 R CB -0.218 29.934 30.300 -0.246 0.000 0.825 551 R HN 0.137 nan 8.270 nan 0.000 0.432 552 E N -1.106 118.808 120.200 -0.477 0.000 2.465 552 E HA -0.016 4.329 4.350 -0.008 0.000 0.191 552 E C -0.113 176.017 176.600 -0.785 0.000 1.053 552 E CA 0.310 56.319 56.400 -0.652 0.000 0.869 552 E CB 0.579 29.730 29.700 -0.914 0.000 0.977 552 E HN 0.424 nan 8.360 nan 0.000 0.483 553 Y N -0.353 119.858 120.300 -0.148 0.000 2.858 553 Y HA 0.131 4.676 4.550 -0.008 0.000 0.270 553 Y C -0.381 175.485 175.900 -0.057 0.000 1.063 553 Y CA -0.986 57.073 58.100 -0.069 0.000 1.263 553 Y CB 0.626 39.061 38.460 -0.042 0.000 1.378 553 Y HN -0.251 nan 8.280 nan 0.000 0.578 554 K N 1.554 121.970 120.400 0.027 0.000 4.768 554 K HA -0.146 4.170 4.320 -0.008 0.000 0.286 554 K C 0.239 176.850 176.600 0.018 0.000 0.770 554 K CA 1.028 57.312 56.287 -0.005 0.000 0.824 554 K CB -1.317 31.179 32.500 -0.007 0.000 1.900 554 K HN 0.393 nan 8.250 nan 0.000 0.407 555 V N -2.086 117.828 119.914 -0.000 0.000 3.707 555 V HA 0.565 4.680 4.120 -0.008 0.000 0.293 555 V C 0.629 176.724 176.094 0.001 0.000 1.307 555 V CA -0.491 61.820 62.300 0.019 0.000 0.971 555 V CB 2.092 33.926 31.823 0.018 0.000 1.263 555 V HN 0.576 nan 8.190 nan 0.000 0.473 556 H N 0.581 119.641 119.070 -0.016 0.000 3.233 556 H HA 0.415 4.966 4.556 -0.008 0.000 0.232 556 H C -0.147 175.178 175.328 -0.004 0.000 1.322 556 H CA -0.205 55.837 56.048 -0.010 0.000 1.043 556 H CB 0.301 30.052 29.762 -0.018 0.000 2.572 556 H HN 0.811 nan 8.280 nan 0.000 0.597 557 I N -1.052 119.598 120.570 0.133 0.000 2.696 557 I HA 0.187 4.353 4.170 -0.008 0.000 0.284 557 I C 0.469 176.690 176.117 0.172 0.000 1.129 557 I CA -0.380 60.986 61.300 0.111 0.000 1.410 557 I CB 0.735 38.761 38.000 0.043 0.000 1.399 557 I HN 0.059 nan 8.210 nan 0.000 0.579 558 N N 7.319 126.119 118.700 0.167 0.000 2.420 558 N HA 0.319 5.054 4.740 -0.008 0.000 0.249 558 N C -1.638 174.015 175.510 0.239 0.000 1.033 558 N CA -2.527 50.621 53.050 0.163 0.000 0.944 558 N CB 0.957 39.505 38.487 0.102 0.000 1.113 558 N HN 0.437 nan 8.380 nan 0.000 0.502 559 P HA -0.069 nan 4.420 nan 0.000 0.234 559 P C -0.163 177.128 177.300 -0.016 0.000 1.167 559 P CA 1.018 64.204 63.100 0.143 0.000 0.763 559 P CB 0.242 32.010 31.700 0.114 0.000 0.835 560 N N -0.331 118.390 118.700 0.036 0.000 2.392 560 N HA 0.002 4.737 4.740 -0.008 0.000 0.177 560 N C 0.766 176.301 175.510 0.043 0.000 1.066 560 N CA -0.137 52.920 53.050 0.011 0.000 0.895 560 N CB 0.140 38.645 38.487 0.029 0.000 0.988 560 N HN 0.204 nan 8.380 nan 0.000 0.457 561 S N 0.563 116.303 115.700 0.067 0.000 2.624 561 S HA 0.207 4.672 4.470 -0.008 0.000 0.263 561 S C 0.027 174.599 174.600 -0.046 0.000 1.287 561 S CA -0.835 57.398 58.200 0.054 0.000 0.990 561 S CB 1.156 64.409 63.200 0.087 0.000 0.950 561 S HN 0.168 nan 8.310 nan 0.000 0.561 562 L N 1.522 122.580 121.223 -0.274 0.000 2.360 562 L HA 0.395 4.730 4.340 -0.008 0.000 0.276 562 L C -0.917 175.929 176.870 -0.040 0.000 1.121 562 L CA -0.591 53.881 54.840 -0.612 0.000 0.845 562 L CB -0.107 41.306 42.059 -1.077 0.000 1.143 562 L HN 0.694 nan 8.230 nan 0.000 0.452 563 F N 4.205 124.011 119.950 -0.241 0.000 2.405 563 F HA 0.110 4.633 4.527 -0.007 0.000 0.358 563 F C 0.377 176.091 175.800 -0.143 0.000 1.151 563 F CA -0.827 57.099 58.000 -0.122 0.000 1.161 563 F CB 0.612 39.589 39.000 -0.039 0.000 1.245 563 F HN 0.526 nan 8.300 nan 0.000 0.545 564 D N 4.874 125.269 120.400 -0.009 0.000 2.396 564 D HA 0.232 4.867 4.640 -0.008 0.000 0.225 564 D C -1.087 175.141 176.300 -0.119 0.000 1.121 564 D CA 0.009 53.953 54.000 -0.092 0.000 0.853 564 D CB 1.427 42.162 40.800 -0.108 0.000 1.043 564 D HN 0.263 nan 8.370 nan 0.000 0.500 565 V N 3.616 123.436 119.914 -0.157 0.000 2.656 565 V HA 0.530 4.645 4.120 -0.008 0.000 0.307 565 V C -1.456 174.475 176.094 -0.272 0.000 1.051 565 V CA -0.645 61.544 62.300 -0.184 0.000 0.893 565 V CB 1.920 33.679 31.823 -0.106 0.000 0.999 565 V HN 0.535 nan 8.190 nan 0.000 0.426 566 Q N 4.904 124.565 119.800 -0.231 0.000 2.394 566 Q HA 0.650 4.985 4.340 -0.008 0.000 0.261 566 Q C -1.527 174.310 176.000 -0.271 0.000 1.023 566 Q CA -0.626 55.033 55.803 -0.240 0.000 0.720 566 Q CB 1.825 30.450 28.738 -0.189 0.000 1.241 566 Q HN 1.044 nan 8.270 nan 0.000 0.483 567 V N 2.037 121.784 119.914 -0.278 0.000 2.444 567 V HA 0.855 4.970 4.120 -0.008 0.000 0.294 567 V C -0.821 174.993 176.094 -0.468 0.000 1.022 567 V CA -0.550 61.404 62.300 -0.576 0.000 0.850 567 V CB 1.222 32.480 31.823 -0.941 0.000 0.992 567 V HN 0.811 nan 8.190 nan 0.000 0.426 568 K N 2.723 122.882 120.400 -0.402 0.000 2.999 568 K HA 0.422 4.737 4.320 -0.008 0.000 0.295 568 K C -1.303 175.273 176.600 -0.040 0.000 1.082 568 K CA -1.102 55.118 56.287 -0.112 0.000 0.816 568 K CB 1.045 33.489 32.500 -0.094 0.000 1.492 568 K HN 0.459 nan 8.250 nan 0.000 0.362 569 R N 0.941 121.474 120.500 0.055 0.000 2.640 569 R HA 0.175 4.510 4.340 -0.008 0.000 0.270 569 R C 0.360 176.673 176.300 0.023 0.000 1.024 569 R CA -0.336 55.815 56.100 0.086 0.000 1.085 569 R CB -0.197 30.186 30.300 0.138 0.000 0.963 569 R HN 0.458 nan 8.270 nan 0.000 0.426 570 I N 4.260 124.850 120.570 0.032 0.000 2.517 570 I HA 0.081 4.246 4.170 -0.008 0.000 0.285 570 I C 0.753 176.832 176.117 -0.063 0.000 1.106 570 I CA 0.628 61.902 61.300 -0.044 0.000 1.402 570 I CB -0.361 37.603 38.000 -0.060 0.000 1.399 570 I HN 0.337 nan 8.210 nan 0.000 0.535 571 H N 5.041 123.990 119.070 -0.203 0.000 3.046 571 H HA 0.219 4.770 4.556 -0.008 0.000 0.363 571 H C 0.397 175.587 175.328 -0.230 0.000 1.203 571 H CA -0.396 55.564 56.048 -0.146 0.000 1.169 571 H CB 1.873 31.536 29.762 -0.164 0.000 1.851 571 H HN 0.585 nan 8.280 nan 0.000 0.546 572 E N 1.907 122.176 120.200 0.115 0.000 2.153 572 E HA -0.216 4.129 4.350 -0.008 0.000 0.194 572 E C 1.250 177.654 176.600 -0.328 0.000 0.988 572 E CA 1.582 58.006 56.400 0.040 0.000 0.811 572 E CB 0.012 29.915 29.700 0.338 0.000 0.746 572 E HN 0.556 nan 8.360 nan 0.000 0.466 573 Y N 0.649 120.512 120.300 -0.729 0.000 2.439 573 Y HA 0.035 4.580 4.550 -0.008 0.000 0.292 573 Y C 1.569 177.203 175.900 -0.443 0.000 1.130 573 Y CA 0.558 57.966 58.100 -1.153 0.000 1.254 573 Y CB 0.038 37.810 38.460 -1.146 0.000 1.000 573 Y HN -0.220 nan 8.280 nan 0.000 0.554 574 K N 1.122 121.045 120.400 -0.795 0.000 2.288 574 K HA -0.003 4.312 4.320 -0.008 0.000 0.201 574 K C 0.247 176.676 176.600 -0.286 0.000 1.048 574 K CA 0.770 56.713 56.287 -0.574 0.000 0.956 574 K CB -0.213 31.971 32.500 -0.527 0.000 0.746 574 K HN 0.453 nan 8.250 nan 0.000 0.461 575 R N 0.887 121.251 120.500 -0.227 0.000 3.267 575 R HA -0.195 4.140 4.340 -0.008 0.000 0.254 575 R C 0.500 176.722 176.300 -0.129 0.000 0.993 575 R CA 0.248 56.269 56.100 -0.132 0.000 0.670 575 R CB -1.845 28.396 30.300 -0.097 0.000 1.125 575 R HN 0.260 nan 8.270 nan 0.000 0.434 576 Q N 0.340 120.062 119.800 -0.131 0.000 2.226 576 Q HA -0.033 4.302 4.340 -0.008 0.000 0.204 576 Q C 2.033 177.982 176.000 -0.086 0.000 0.975 576 Q CA 1.336 57.073 55.803 -0.110 0.000 0.866 576 Q CB 0.050 28.728 28.738 -0.101 0.000 0.915 576 Q HN 0.586 nan 8.270 nan 0.000 0.440 577 L N -0.606 120.571 121.223 -0.077 0.000 2.083 577 L HA -0.179 4.156 4.340 -0.008 0.000 0.209 577 L C 1.992 178.856 176.870 -0.011 0.000 1.083 577 L CA 0.545 55.354 54.840 -0.051 0.000 0.752 577 L CB -0.342 41.701 42.059 -0.027 0.000 0.899 577 L HN 0.315 nan 8.230 nan 0.000 0.433 578 L N 0.232 121.436 121.223 -0.032 0.000 2.046 578 L HA -0.222 4.114 4.340 -0.008 0.000 0.208 578 L C 2.260 179.133 176.870 0.005 0.000 1.077 578 L CA 1.697 56.517 54.840 -0.033 0.000 0.747 578 L CB -0.879 41.055 42.059 -0.207 0.000 0.896 578 L HN 0.257 nan 8.230 nan 0.000 0.432 579 N N -0.545 118.134 118.700 -0.035 0.000 2.069 579 N HA -0.210 4.525 4.740 -0.008 0.000 0.191 579 N C 1.900 177.485 175.510 0.125 0.000 1.031 579 N CA 1.919 55.032 53.050 0.106 0.000 0.852 579 N CB -0.638 37.859 38.487 0.016 0.000 1.018 579 N HN 0.512 nan 8.380 nan 0.000 0.423 580 C N 0.568 119.880 119.300 0.019 0.000 2.413 580 C HA -0.030 4.425 4.460 -0.008 0.000 0.277 580 C C 2.843 177.827 174.990 -0.009 0.000 1.265 580 C CA 0.251 59.240 59.018 -0.047 0.000 1.752 580 C CB -1.296 26.363 27.740 -0.134 0.000 1.998 580 C HN 0.468 nan 8.230 nan 0.000 0.489 581 L N -0.357 120.916 121.223 0.084 0.000 2.083 581 L HA -0.189 4.146 4.340 -0.008 0.000 0.209 581 L C 2.789 179.812 176.870 0.255 0.000 1.083 581 L CA 1.740 56.673 54.840 0.155 0.000 0.752 581 L CB -1.005 41.204 42.059 0.250 0.000 0.899 581 L HN 0.579 nan 8.230 nan 0.000 0.433 582 H N -0.036 119.157 119.070 0.205 0.000 2.357 582 H HA -0.125 4.426 4.556 -0.008 0.000 0.301 582 H C 2.212 177.553 175.328 0.021 0.000 1.082 582 H CA 1.856 57.963 56.048 0.099 0.000 1.342 582 H CB 0.322 30.113 29.762 0.049 0.000 1.389 582 H HN 0.103 nan 8.280 nan 0.000 0.511 583 V N 1.569 121.444 119.914 -0.066 0.000 2.332 583 V HA -0.260 3.855 4.120 -0.008 0.000 0.248 583 V C 2.818 178.859 176.094 -0.088 0.000 1.055 583 V CA 1.781 63.999 62.300 -0.136 0.000 1.038 583 V CB -0.487 31.293 31.823 -0.071 0.000 0.651 583 V HN 0.395 nan 8.190 nan 0.000 0.450 584 I N -0.258 120.285 120.570 -0.045 0.000 2.493 584 I HA -0.183 3.982 4.170 -0.008 0.000 0.254 584 I C 2.434 178.604 176.117 0.088 0.000 1.160 584 I CA 1.422 62.749 61.300 0.045 0.000 1.445 584 I CB -0.508 37.484 38.000 -0.013 0.000 1.086 584 I HN 0.329 nan 8.210 nan 0.000 0.433 585 T N 1.089 115.649 114.554 0.009 0.000 2.737 585 T HA -0.115 4.230 4.350 -0.008 0.000 0.265 585 T C 1.882 176.535 174.700 -0.078 0.000 1.038 585 T CA 1.038 63.135 62.100 -0.005 0.000 1.144 585 T CB -0.205 68.676 68.868 0.022 0.000 0.866 585 T HN 0.071 nan 8.240 nan 0.000 0.434 586 L N 0.325 121.431 121.223 -0.195 0.000 2.012 586 L HA -0.065 4.270 4.340 -0.008 0.000 0.210 586 L C 2.106 178.938 176.870 -0.063 0.000 1.073 586 L CA 1.654 56.379 54.840 -0.191 0.000 0.748 586 L CB -1.024 40.862 42.059 -0.288 0.000 0.891 586 L HN 0.362 nan 8.230 nan 0.000 0.431 587 Y N 0.224 120.464 120.300 -0.101 0.000 2.145 587 Y HA -0.295 4.250 4.550 -0.008 0.000 0.286 587 Y C 2.449 178.332 175.900 -0.030 0.000 1.145 587 Y CA 1.924 60.004 58.100 -0.033 0.000 1.148 587 Y CB -0.134 38.353 38.460 0.046 0.000 0.981 587 Y HN 0.285 nan 8.280 nan 0.000 0.507 588 N N 0.407 119.089 118.700 -0.030 0.000 2.223 588 N HA -0.141 4.594 4.740 -0.008 0.000 0.185 588 N C 1.815 177.225 175.510 -0.168 0.000 1.016 588 N CA 1.463 54.429 53.050 -0.139 0.000 0.863 588 N CB -0.341 38.119 38.487 -0.046 0.000 0.983 588 N HN 0.456 nan 8.380 nan 0.000 0.429 589 R N 0.349 120.772 120.500 -0.129 0.000 2.092 589 R HA 0.098 4.433 4.340 -0.008 0.000 0.231 589 R C 2.231 178.446 176.300 -0.142 0.000 1.119 589 R CA 0.670 56.699 56.100 -0.119 0.000 0.970 589 R CB -0.223 30.015 30.300 -0.102 0.000 0.864 589 R HN 0.225 nan 8.270 nan 0.000 0.440 590 I N 1.103 121.569 120.570 -0.175 0.000 2.179 590 I HA -0.284 3.881 4.170 -0.008 0.000 0.242 590 I C 2.073 178.072 176.117 -0.196 0.000 1.088 590 I CA 1.267 62.462 61.300 -0.175 0.000 1.357 590 I CB -0.188 37.705 38.000 -0.178 0.000 1.051 590 I HN 0.040 nan 8.210 nan 0.000 0.409 591 K N 0.647 120.869 120.400 -0.297 0.000 2.209 591 K HA -0.211 4.104 4.320 -0.008 0.000 0.204 591 K C 2.009 178.511 176.600 -0.162 0.000 1.048 591 K CA 1.097 57.224 56.287 -0.266 0.000 0.940 591 K CB -0.251 32.020 32.500 -0.380 0.000 0.729 591 K HN 0.135 nan 8.250 nan 0.000 0.451 592 K N 1.510 121.822 120.400 -0.145 0.000 2.076 592 K HA -0.047 4.268 4.320 -0.008 0.000 0.204 592 K C 0.093 176.647 176.600 -0.077 0.000 1.051 592 K CA 1.148 57.375 56.287 -0.100 0.000 0.949 592 K CB 0.391 32.836 32.500 -0.091 0.000 0.726 592 K HN 0.068 nan 8.250 nan 0.000 0.443 593 E N -0.087 120.066 120.200 -0.080 0.000 3.374 593 E HA 0.160 4.505 4.350 -0.008 0.000 0.223 593 E C -2.297 174.266 176.600 -0.061 0.000 1.210 593 E CA -1.575 54.791 56.400 -0.058 0.000 0.987 593 E CB 1.515 31.187 29.700 -0.046 0.000 1.322 593 E HN 0.058 nan 8.360 nan 0.000 0.404 594 P HA -0.189 nan 4.420 nan 0.000 0.216 594 P C 0.595 177.874 177.300 -0.035 0.000 1.153 594 P CA 1.106 64.171 63.100 -0.059 0.000 0.858 594 P CB 0.239 31.909 31.700 -0.051 0.000 0.789 595 N N -0.779 117.909 118.700 -0.019 0.000 2.314 595 N HA 0.002 4.737 4.740 -0.008 0.000 0.200 595 N C 0.523 176.047 175.510 0.023 0.000 1.135 595 N CA 0.228 53.279 53.050 0.003 0.000 0.835 595 N CB 0.153 38.642 38.487 0.003 0.000 0.989 595 N HN 0.313 nan 8.380 nan 0.000 0.478 596 K N 0.586 120.993 120.400 0.012 0.000 2.118 596 K HA 0.148 4.463 4.320 -0.008 0.000 0.267 596 K C -0.751 175.890 176.600 0.068 0.000 0.991 596 K CA -0.531 55.779 56.287 0.039 0.000 0.916 596 K CB 0.897 33.401 32.500 0.006 0.000 1.041 596 K HN -0.209 nan 8.250 nan 0.000 0.455 597 F N 4.208 124.142 119.950 -0.028 0.000 2.399 597 F HA 0.338 4.860 4.527 -0.008 0.000 0.342 597 F C -0.676 175.107 175.800 -0.028 0.000 1.106 597 F CA -0.132 57.853 58.000 -0.026 0.000 1.196 597 F CB 0.914 39.902 39.000 -0.021 0.000 1.163 597 F HN 0.228 nan 8.300 nan 0.000 0.547 598 V N 3.668 122.972 119.914 -1.018 0.000 2.932 598 V HA 0.493 4.608 4.120 -0.008 0.000 0.307 598 V C -0.984 174.537 176.094 -0.955 0.000 1.147 598 V CA -1.233 60.639 62.300 -0.713 0.000 0.951 598 V CB 0.828 32.433 31.823 -0.363 0.000 1.031 598 V HN 0.583 nan 8.190 nan 0.000 0.426 599 V N 5.697 125.292 119.914 -0.531 0.000 2.493 599 V HA 0.201 4.316 4.120 -0.008 0.000 0.292 599 V C -1.424 174.518 176.094 -0.254 0.000 1.016 599 V CA -0.460 61.658 62.300 -0.302 0.000 1.097 599 V CB 0.463 32.236 31.823 -0.084 0.000 0.947 599 V HN 0.939 nan 8.190 nan 0.000 0.479 600 P HA 0.243 nan 4.420 nan 0.000 0.269 600 P C -0.593 176.634 177.300 -0.121 0.000 1.209 600 P CA -0.123 62.898 63.100 -0.132 0.000 0.776 600 P CB 0.799 32.463 31.700 -0.059 0.000 0.876 601 R N 0.495 120.936 120.500 -0.098 0.000 2.626 601 R HA 0.503 4.838 4.340 -0.008 0.000 0.274 601 R C -0.772 175.503 176.300 -0.041 0.000 1.031 601 R CA -0.639 55.407 56.100 -0.091 0.000 0.898 601 R CB 1.995 32.217 30.300 -0.130 0.000 1.222 601 R HN 0.314 nan 8.270 nan 0.000 0.455 602 T N 1.914 116.464 114.554 -0.006 0.000 2.788 602 T HA 0.277 4.623 4.350 -0.008 0.000 0.296 602 T C -0.383 174.252 174.700 -0.107 0.000 1.009 602 T CA -0.546 61.519 62.100 -0.059 0.000 0.949 602 T CB 1.150 69.946 68.868 -0.120 0.000 0.946 602 T HN 0.126 nan 8.240 nan 0.000 0.453 603 V N 5.689 125.543 119.914 -0.099 0.000 2.383 603 V HA 0.434 4.550 4.120 -0.008 0.000 0.275 603 V C 0.028 176.050 176.094 -0.119 0.000 1.036 603 V CA -0.445 61.796 62.300 -0.099 0.000 0.889 603 V CB 0.812 32.594 31.823 -0.068 0.000 0.985 603 V HN 0.861 nan 8.190 nan 0.000 0.459 604 M N 6.612 126.125 119.600 -0.144 0.000 2.243 604 M HA 0.617 5.093 4.480 -0.008 0.000 0.324 604 M C -1.035 175.151 176.300 -0.190 0.000 1.031 604 M CA -0.147 55.054 55.300 -0.164 0.000 0.949 604 M CB 2.047 34.544 32.600 -0.172 0.000 1.615 604 M HN 0.424 nan 8.290 nan 0.000 0.430 605 I N 2.147 122.581 120.570 -0.226 0.000 2.478 605 I HA 0.742 4.908 4.170 -0.008 0.000 0.287 605 I C 0.001 175.774 176.117 -0.574 0.000 1.042 605 I CA -0.576 60.561 61.300 -0.272 0.000 1.067 605 I CB 2.145 40.076 38.000 -0.114 0.000 1.233 605 I HN 0.798 nan 8.210 nan 0.000 0.431 606 G N 3.174 111.608 108.800 -0.609 0.000 2.642 606 G HA2 0.884 4.840 3.960 -0.008 0.000 0.293 606 G HA3 0.884 4.840 3.960 -0.008 0.000 0.293 606 G C -0.891 173.706 174.900 -0.504 0.000 1.341 606 G CA -0.919 43.681 45.100 -0.835 0.000 0.916 606 G HN 0.958 nan 8.290 nan 0.000 0.474 607 G N -0.537 108.118 108.800 -0.243 0.000 2.329 607 G HA2 0.379 4.334 3.960 -0.008 0.000 0.308 607 G HA3 0.379 4.334 3.960 -0.008 0.000 0.308 607 G C -1.276 173.754 174.900 0.216 0.000 1.587 607 G CA -1.032 44.088 45.100 0.033 0.000 0.978 607 G HN 0.604 nan 8.290 nan 0.000 0.685 608 K N -0.049 120.479 120.400 0.213 0.000 2.110 608 K HA 0.742 5.057 4.320 -0.008 0.000 0.263 608 K C 0.217 176.955 176.600 0.231 0.000 0.975 608 K CA -0.227 56.209 56.287 0.249 0.000 0.895 608 K CB 2.083 34.648 32.500 0.108 0.000 1.060 608 K HN 0.872 nan 8.250 nan 0.000 0.448 609 A N 1.580 124.562 122.820 0.271 0.000 2.304 609 A HA 0.611 4.926 4.320 -0.008 0.000 0.323 609 A C -0.367 177.380 177.584 0.272 0.000 1.195 609 A CA -0.715 51.416 52.037 0.158 0.000 0.826 609 A CB 0.946 19.960 19.000 0.024 0.000 1.184 609 A HN 0.780 nan 8.150 nan 0.000 0.496 610 A N 3.912 126.884 122.820 0.253 0.000 2.511 610 A HA 0.530 4.845 4.320 -0.008 0.000 0.242 610 A C -2.402 175.285 177.584 0.171 0.000 1.069 610 A CA -0.878 51.326 52.037 0.277 0.000 0.763 610 A CB -0.631 18.515 19.000 0.242 0.000 1.001 610 A HN 0.576 nan 8.150 nan 0.000 0.498 611 P HA 0.322 nan 4.420 nan 0.000 0.268 611 P C 1.002 178.320 177.300 0.030 0.000 1.204 611 P CA 1.592 64.678 63.100 -0.022 0.000 0.768 611 P CB 0.841 32.464 31.700 -0.128 0.000 0.842 612 G N 2.040 110.859 108.800 0.033 0.000 2.194 612 G HA2 -0.289 3.666 3.960 -0.008 0.000 0.236 612 G HA3 -0.289 3.666 3.960 -0.008 0.000 0.236 612 G C -0.062 174.889 174.900 0.086 0.000 0.987 612 G CA -0.365 44.763 45.100 0.046 0.000 0.635 612 G HN 0.610 nan 8.290 nan 0.000 0.520 613 Y N 2.448 122.704 120.300 -0.073 0.000 2.802 613 Y HA 0.373 4.918 4.550 -0.008 0.000 0.330 613 Y C 1.791 177.668 175.900 -0.039 0.000 1.193 613 Y CA -0.411 57.616 58.100 -0.122 0.000 1.427 613 Y CB -0.126 38.215 38.460 -0.198 0.000 1.357 613 Y HN 0.379 nan 8.280 nan 0.000 0.501 614 H N 3.524 122.707 119.070 0.189 0.000 2.289 614 H HA -0.277 4.274 4.556 -0.008 0.000 0.294 614 H C 1.821 177.183 175.328 0.056 0.000 1.095 614 H CA 2.603 58.710 56.048 0.098 0.000 1.256 614 H CB 0.286 30.096 29.762 0.080 0.000 1.359 614 H HN 0.706 nan 8.280 nan 0.000 0.487 615 M N 1.029 120.634 119.600 0.008 0.000 2.106 615 M HA -0.127 4.348 4.480 -0.008 0.000 0.259 615 M C 2.604 178.672 176.300 -0.386 0.000 1.068 615 M CA 1.994 57.210 55.300 -0.140 0.000 1.100 615 M CB -0.848 31.816 32.600 0.106 0.000 1.351 615 M HN 0.373 nan 8.290 nan 0.000 0.404 616 A N -0.410 121.935 122.820 -0.790 0.000 1.940 616 A HA -0.208 4.107 4.320 -0.008 0.000 0.219 616 A C 2.153 179.518 177.584 -0.365 0.000 1.176 616 A CA 1.982 53.546 52.037 -0.788 0.000 0.631 616 A CB -0.678 17.606 19.000 -1.193 0.000 0.814 616 A HN 0.630 nan 8.150 nan 0.000 0.446 617 K N -1.151 119.094 120.400 -0.258 0.000 2.296 617 K HA 0.056 4.371 4.320 -0.008 0.000 0.200 617 K C 1.724 178.278 176.600 -0.076 0.000 1.048 617 K CA 0.829 57.055 56.287 -0.102 0.000 0.966 617 K CB -0.134 32.369 32.500 0.005 0.000 0.754 617 K HN 0.336 nan 8.250 nan 0.000 0.466 618 M N 0.559 120.061 119.600 -0.163 0.000 2.254 618 M HA -0.020 4.455 4.480 -0.008 0.000 0.265 618 M C 2.062 178.306 176.300 -0.095 0.000 1.066 618 M CA 1.303 56.557 55.300 -0.077 0.000 1.123 618 M CB -0.486 32.044 32.600 -0.115 0.000 1.388 618 M HN 0.112 nan 8.290 nan 0.000 0.425 619 I N -0.195 120.277 120.570 -0.163 0.000 2.315 619 I HA -0.289 3.876 4.170 -0.008 0.000 0.248 619 I C 2.260 178.252 176.117 -0.209 0.000 1.117 619 I CA 1.043 62.235 61.300 -0.180 0.000 1.404 619 I CB -0.278 37.615 38.000 -0.178 0.000 1.071 619 I HN 0.169 nan 8.210 nan 0.000 0.419 620 I N 0.684 121.111 120.570 -0.239 0.000 2.226 620 I HA -0.287 3.878 4.170 -0.008 0.000 0.245 620 I C 2.601 178.439 176.117 -0.464 0.000 1.100 620 I CA 1.177 62.238 61.300 -0.397 0.000 1.374 620 I CB -0.292 37.439 38.000 -0.448 0.000 1.057 620 I HN 0.155 nan 8.210 nan 0.000 0.413 621 K N 1.505 121.658 120.400 -0.412 0.000 2.057 621 K HA -0.167 4.148 4.320 -0.008 0.000 0.207 621 K C 2.068 178.509 176.600 -0.265 0.000 1.049 621 K CA 1.475 57.451 56.287 -0.518 0.000 0.931 621 K CB -0.611 31.376 32.500 -0.854 0.000 0.714 621 K HN 0.177 nan 8.250 nan 0.000 0.440 622 L N 0.695 121.790 121.223 -0.214 0.000 2.017 622 L HA -0.142 4.193 4.340 -0.008 0.000 0.208 622 L C 2.119 178.761 176.870 -0.380 0.000 1.073 622 L CA 1.807 56.362 54.840 -0.476 0.000 0.745 622 L CB -0.560 41.098 42.059 -0.668 0.000 0.894 622 L HN 0.299 nan 8.230 nan 0.000 0.432 623 I N 0.258 120.655 120.570 -0.288 0.000 2.127 623 I HA -0.348 3.817 4.170 -0.008 0.000 0.241 623 I C 2.640 178.661 176.117 -0.161 0.000 1.075 623 I CA 1.996 63.180 61.300 -0.193 0.000 1.334 623 I CB -0.610 37.355 38.000 -0.059 0.000 1.040 623 I HN 0.414 nan 8.210 nan 0.000 0.405 624 T N -0.817 113.615 114.554 -0.204 0.000 2.867 624 T HA -0.080 4.265 4.350 -0.008 0.000 0.268 624 T C 1.944 176.582 174.700 -0.102 0.000 1.057 624 T CA 0.960 62.970 62.100 -0.150 0.000 1.136 624 T CB -0.435 68.293 68.868 -0.233 0.000 0.874 624 T HN 0.350 nan 8.240 nan 0.000 0.466 625 A N 1.511 124.265 122.820 -0.111 0.000 1.930 625 A HA 0.155 4.470 4.320 -0.008 0.000 0.217 625 A C 2.372 179.978 177.584 0.037 0.000 1.175 625 A CA 1.247 53.286 52.037 0.003 0.000 0.627 625 A CB -0.759 18.328 19.000 0.145 0.000 0.815 625 A HN 0.606 nan 8.150 nan 0.000 0.443 626 I N -0.347 120.147 120.570 -0.126 0.000 2.202 626 I HA -0.181 3.984 4.170 -0.008 0.000 0.242 626 I C 2.742 178.836 176.117 -0.037 0.000 1.091 626 I CA 1.122 62.330 61.300 -0.153 0.000 1.368 626 I CB -0.754 37.029 38.000 -0.360 0.000 1.058 626 I HN 0.381 nan 8.210 nan 0.000 0.410 627 G N 0.618 109.389 108.800 -0.048 0.000 2.442 627 G HA2 -0.271 3.684 3.960 -0.008 0.000 0.219 627 G HA3 -0.271 3.684 3.960 -0.008 0.000 0.219 627 G C 1.214 176.146 174.900 0.053 0.000 1.141 627 G CA 1.094 46.185 45.100 -0.015 0.000 0.763 627 G HN 0.295 nan 8.290 nan 0.000 0.554 628 D N -0.086 120.364 120.400 0.083 0.000 2.178 628 D HA -0.069 4.566 4.640 -0.008 0.000 0.201 628 D C 2.684 179.088 176.300 0.173 0.000 0.980 628 D CA 0.639 54.731 54.000 0.153 0.000 0.842 628 D CB -0.124 40.702 40.800 0.044 0.000 0.948 628 D HN 0.277 nan 8.370 nan 0.000 0.472 629 V N -0.024 119.939 119.914 0.081 0.000 2.331 629 V HA -0.115 4.000 4.120 -0.008 0.000 0.242 629 V C 2.562 178.639 176.094 -0.028 0.000 1.034 629 V CA 0.660 62.952 62.300 -0.013 0.000 1.027 629 V CB -0.303 31.465 31.823 -0.092 0.000 0.667 629 V HN 0.023 nan 8.190 nan 0.000 0.457 630 V N 1.054 120.899 119.914 -0.115 0.000 2.295 630 V HA -0.279 3.836 4.120 -0.008 0.000 0.246 630 V C 1.987 178.085 176.094 0.007 0.000 1.049 630 V CA 2.497 64.734 62.300 -0.104 0.000 1.024 630 V CB -1.079 30.665 31.823 -0.131 0.000 0.648 630 V HN 0.635 nan 8.190 nan 0.000 0.447 631 N N -0.768 117.901 118.700 -0.051 0.000 2.520 631 N HA -0.128 4.607 4.740 -0.008 0.000 0.185 631 N C 0.849 176.126 175.510 -0.389 0.000 1.068 631 N CA 0.758 53.683 53.050 -0.208 0.000 0.911 631 N CB -0.062 38.254 38.487 -0.285 0.000 0.961 631 N HN 0.653 nan 8.380 nan 0.000 0.446 632 H N -1.037 118.040 119.070 0.010 0.000 2.512 632 H HA 0.193 4.744 4.556 -0.008 0.000 0.276 632 H C -0.886 174.458 175.328 0.026 0.000 1.126 632 H CA -0.370 55.684 56.048 0.009 0.000 1.060 632 H CB 0.338 30.097 29.762 -0.005 0.000 1.646 632 H HN 0.040 nan 8.280 nan 0.000 0.571 633 D N 1.327 121.801 120.400 0.124 0.000 2.359 633 D HA 0.080 4.715 4.640 -0.008 0.000 0.230 633 D C -1.698 174.647 176.300 0.075 0.000 1.118 633 D CA -2.025 52.057 54.000 0.137 0.000 0.844 633 D CB 1.893 42.850 40.800 0.261 0.000 1.059 633 D HN 0.076 nan 8.370 nan 0.000 0.493 634 P HA -0.145 nan 4.420 nan 0.000 0.216 634 P C 1.553 178.860 177.300 0.011 0.000 1.150 634 P CA 0.535 63.648 63.100 0.022 0.000 0.843 634 P CB 0.426 32.138 31.700 0.020 0.000 0.787 635 V N -0.825 119.097 119.914 0.014 0.000 2.626 635 V HA -0.155 3.960 4.120 -0.008 0.000 0.252 635 V C 2.349 178.433 176.094 -0.017 0.000 1.067 635 V CA 1.489 63.784 62.300 -0.009 0.000 1.081 635 V CB -1.000 30.807 31.823 -0.027 0.000 0.686 635 V HN -0.005 nan 8.190 nan 0.000 0.468 636 V N -0.201 119.717 119.914 0.008 0.000 2.591 636 V HA 0.177 4.292 4.120 -0.008 0.000 0.249 636 V C 1.726 177.813 176.094 -0.012 0.000 1.053 636 V CA 1.204 63.508 62.300 0.007 0.000 1.068 636 V CB -1.131 30.742 31.823 0.083 0.000 0.689 636 V HN 0.721 nan 8.190 nan 0.000 0.462 637 G N 1.823 110.615 108.800 -0.014 0.000 2.574 637 G HA2 -0.363 3.592 3.960 -0.008 0.000 0.282 637 G HA3 -0.363 3.592 3.960 -0.008 0.000 0.282 637 G C 0.072 174.945 174.900 -0.044 0.000 1.257 637 G CA 0.446 45.527 45.100 -0.032 0.000 0.956 637 G HN 0.739 nan 8.290 nan 0.000 0.560 638 D N -0.367 120.006 120.400 -0.046 0.000 2.722 638 D HA 0.382 5.018 4.640 -0.008 0.000 0.239 638 D C 1.585 177.866 176.300 -0.032 0.000 1.249 638 D CA -0.108 53.866 54.000 -0.044 0.000 0.830 638 D CB 0.191 40.966 40.800 -0.042 0.000 1.025 638 D HN 0.582 nan 8.370 nan 0.000 0.486 639 R N -0.706 119.768 120.500 -0.043 0.000 2.210 639 R HA 0.295 4.631 4.340 -0.008 0.000 0.203 639 R C -0.162 176.098 176.300 -0.066 0.000 1.010 639 R CA 0.118 56.177 56.100 -0.068 0.000 1.008 639 R CB 0.340 30.582 30.300 -0.096 0.000 0.923 639 R HN 0.162 nan 8.270 nan 0.000 0.469 640 L N 0.711 121.911 121.223 -0.039 0.000 2.516 640 L HA 0.428 4.763 4.340 -0.008 0.000 0.267 640 L C -1.640 175.215 176.870 -0.024 0.000 0.957 640 L CA -0.561 54.261 54.840 -0.031 0.000 0.860 640 L CB 1.717 43.773 42.059 -0.005 0.000 1.265 640 L HN -0.153 nan 8.230 nan 0.000 0.403 641 R N 3.788 124.265 120.500 -0.038 0.000 2.628 641 R HA 0.757 5.092 4.340 -0.008 0.000 0.288 641 R C -1.586 174.680 176.300 -0.058 0.000 0.980 641 R CA -0.792 55.279 56.100 -0.048 0.000 0.891 641 R CB 2.413 32.685 30.300 -0.046 0.000 1.188 641 R HN 0.401 nan 8.270 nan 0.000 0.450 642 V N 5.015 124.895 119.914 -0.056 0.000 2.378 642 V HA 0.459 4.574 4.120 -0.008 0.000 0.288 642 V C -0.174 175.895 176.094 -0.041 0.000 1.016 642 V CA -0.669 61.598 62.300 -0.056 0.000 0.840 642 V CB 1.729 33.517 31.823 -0.059 0.000 0.994 642 V HN 0.479 nan 8.190 nan 0.000 0.431 643 I N 4.872 125.412 120.570 -0.050 0.000 2.509 643 I HA 0.428 4.593 4.170 -0.008 0.000 0.293 643 I C -0.659 175.444 176.117 -0.023 0.000 1.020 643 I CA -0.666 60.611 61.300 -0.038 0.000 1.088 643 I CB 1.837 39.787 38.000 -0.083 0.000 1.267 643 I HN 0.565 nan 8.210 nan 0.000 0.430 644 F N 6.856 126.744 119.950 -0.102 0.000 2.361 644 F HA 0.417 4.939 4.527 -0.008 0.000 0.364 644 F C -0.298 175.435 175.800 -0.112 0.000 1.120 644 F CA -0.769 57.169 58.000 -0.102 0.000 1.102 644 F CB 0.804 39.748 39.000 -0.093 0.000 1.183 644 F HN 0.186 nan 8.300 nan 0.000 0.476 645 L N 5.844 126.662 121.223 -0.674 0.000 2.600 645 L HA 0.087 4.422 4.340 -0.008 0.000 0.278 645 L C 0.451 177.052 176.870 -0.448 0.000 1.139 645 L CA 0.412 54.977 54.840 -0.458 0.000 0.933 645 L CB -0.298 41.575 42.059 -0.311 0.000 1.266 645 L HN 0.613 nan 8.230 nan 0.000 0.471 646 E N 3.157 123.237 120.200 -0.199 0.000 2.373 646 E HA -0.037 4.308 4.350 -0.008 0.000 0.267 646 E C 0.613 177.295 176.600 0.136 0.000 1.032 646 E CA -0.284 56.159 56.400 0.072 0.000 0.889 646 E CB 0.317 30.069 29.700 0.087 0.000 0.984 646 E HN 0.537 nan 8.360 nan 0.000 0.425 647 N N 2.481 121.317 118.700 0.228 0.000 2.705 647 N HA -0.294 4.441 4.740 -0.008 0.000 0.255 647 N C -1.511 174.108 175.510 0.181 0.000 1.008 647 N CA 0.578 53.757 53.050 0.215 0.000 0.742 647 N CB -1.435 37.190 38.487 0.231 0.000 0.906 647 N HN 0.464 nan 8.380 nan 0.000 0.541 648 Y N 1.357 121.676 120.300 0.031 0.000 2.717 648 Y HA 0.175 4.720 4.550 -0.008 0.000 0.330 648 Y C 1.135 177.056 175.900 0.035 0.000 1.217 648 Y CA 0.669 58.769 58.100 0.001 0.000 1.506 648 Y CB 0.351 38.778 38.460 -0.056 0.000 1.268 648 Y HN 0.410 nan 8.280 nan 0.000 0.561 649 R N 2.322 122.469 120.500 -0.588 0.000 2.756 649 R HA 0.447 4.782 4.340 -0.008 0.000 0.273 649 R C -0.374 175.574 176.300 -0.586 0.000 1.030 649 R CA -0.569 55.258 56.100 -0.455 0.000 0.887 649 R CB 0.286 30.523 30.300 -0.104 0.000 1.274 649 R HN 0.359 nan 8.270 nan 0.000 0.461 650 V N 1.070 120.690 119.914 -0.490 0.000 2.252 650 V HA -0.312 3.803 4.120 -0.008 0.000 0.249 650 V C 2.557 178.526 176.094 -0.209 0.000 1.056 650 V CA 2.902 64.981 62.300 -0.368 0.000 1.022 650 V CB -0.880 30.706 31.823 -0.396 0.000 0.641 650 V HN 0.929 nan 8.190 nan 0.000 0.445 651 S N -0.033 115.569 115.700 -0.162 0.000 2.399 651 S HA -0.164 4.301 4.470 -0.008 0.000 0.231 651 S C 1.897 176.456 174.600 -0.070 0.000 1.022 651 S CA 1.631 59.770 58.200 -0.102 0.000 0.983 651 S CB -0.490 62.684 63.200 -0.044 0.000 0.803 651 S HN 0.397 nan 8.310 nan 0.000 0.480 652 L N 1.874 123.050 121.223 -0.078 0.000 2.131 652 L HA 0.371 4.707 4.340 -0.008 0.000 0.206 652 L C 2.627 179.493 176.870 -0.007 0.000 1.087 652 L CA 1.305 56.137 54.840 -0.014 0.000 0.767 652 L CB -1.305 40.789 42.059 0.058 0.000 0.917 652 L HN 0.334 nan 8.230 nan 0.000 0.441 653 A N -0.625 122.156 122.820 -0.065 0.000 1.902 653 A HA -0.226 4.089 4.320 -0.008 0.000 0.217 653 A C 2.112 179.753 177.584 0.095 0.000 1.181 653 A CA 1.761 53.843 52.037 0.076 0.000 0.623 653 A CB -0.614 18.410 19.000 0.039 0.000 0.818 653 A HN 0.590 nan 8.150 nan 0.000 0.443 654 E N -0.437 119.808 120.200 0.075 0.000 2.333 654 E HA -0.171 4.174 4.350 -0.008 0.000 0.198 654 E C 1.834 178.414 176.600 -0.033 0.000 1.007 654 E CA 1.179 57.590 56.400 0.018 0.000 0.845 654 E CB -0.044 29.574 29.700 -0.136 0.000 0.766 654 E HN 0.628 nan 8.360 nan 0.000 0.507 655 K N -0.009 120.350 120.400 -0.067 0.000 2.172 655 K HA 0.031 4.346 4.320 -0.008 0.000 0.203 655 K C 2.171 178.588 176.600 -0.305 0.000 1.040 655 K CA 0.426 56.650 56.287 -0.106 0.000 0.974 655 K CB -0.098 32.342 32.500 -0.100 0.000 0.857 655 K HN -0.051 nan 8.250 nan 0.000 0.464 656 V N 2.129 121.774 119.914 -0.448 0.000 2.427 656 V HA -0.167 3.948 4.120 -0.008 0.000 0.248 656 V C 1.897 177.758 176.094 -0.388 0.000 1.051 656 V CA 1.380 63.192 62.300 -0.813 0.000 1.048 656 V CB -0.229 31.270 31.823 -0.540 0.000 0.666 656 V HN 0.253 nan 8.190 nan 0.000 0.456 657 I N 0.529 120.950 120.570 -0.248 0.000 2.142 657 I HA -0.132 4.033 4.170 -0.008 0.000 0.240 657 I C -0.130 175.916 176.117 -0.117 0.000 1.078 657 I CA 1.744 62.874 61.300 -0.283 0.000 1.343 657 I CB -1.554 36.150 38.000 -0.495 0.000 1.046 657 I HN 0.361 nan 8.210 nan 0.000 0.405 658 P HA -0.138 nan 4.420 nan 0.000 0.221 658 P C 0.956 178.264 177.300 0.013 0.000 1.145 658 P CA 1.352 64.442 63.100 -0.016 0.000 0.795 658 P CB 0.019 31.715 31.700 -0.007 0.000 0.775 659 A N -1.389 121.419 122.820 -0.020 0.000 2.275 659 A HA 0.471 4.786 4.320 -0.008 0.000 0.212 659 A C 1.136 178.836 177.584 0.194 0.000 1.201 659 A CA 0.110 52.190 52.037 0.072 0.000 0.843 659 A CB -0.685 18.360 19.000 0.076 0.000 0.873 659 A HN 0.198 nan 8.150 nan 0.000 0.492 660 A N -0.304 122.620 122.820 0.174 0.000 2.316 660 A HA 0.509 4.824 4.320 -0.008 0.000 0.284 660 A C 0.319 178.037 177.584 0.224 0.000 1.115 660 A CA -0.199 51.991 52.037 0.256 0.000 0.812 660 A CB 0.432 19.636 19.000 0.341 0.000 1.064 660 A HN 0.264 nan 8.150 nan 0.000 0.489 661 D N 0.167 120.690 120.400 0.205 0.000 2.463 661 D HA 0.139 4.774 4.640 -0.008 0.000 0.237 661 D C -0.074 176.415 176.300 0.314 0.000 1.013 661 D CA 0.590 54.757 54.000 0.278 0.000 0.910 661 D CB 0.380 41.246 40.800 0.110 0.000 1.080 661 D HN 0.345 nan 8.370 nan 0.000 0.498 662 L N 1.242 122.528 121.223 0.105 0.000 2.349 662 L HA 0.301 4.636 4.340 -0.008 0.000 0.278 662 L C -0.812 175.908 176.870 -0.250 0.000 0.996 662 L CA -0.308 54.520 54.840 -0.020 0.000 0.825 662 L CB 2.103 44.125 42.059 -0.063 0.000 1.243 662 L HN -0.187 nan 8.230 nan 0.000 0.412 663 S N 4.302 119.776 115.700 -0.377 0.000 2.422 663 S HA 0.314 4.779 4.470 -0.008 0.000 0.308 663 S C -0.371 173.955 174.600 -0.456 0.000 1.097 663 S CA -0.686 57.050 58.200 -0.772 0.000 1.099 663 S CB 0.605 63.304 63.200 -0.835 0.000 0.976 663 S HN 0.545 nan 8.310 nan 0.000 0.471 664 E N 4.139 124.085 120.200 -0.424 0.000 2.052 664 E HA 0.193 4.539 4.350 -0.008 0.000 0.283 664 E C -0.500 176.002 176.600 -0.164 0.000 1.071 664 E CA -0.343 55.935 56.400 -0.203 0.000 0.851 664 E CB 0.924 30.528 29.700 -0.159 0.000 1.066 664 E HN 0.603 nan 8.360 nan 0.000 0.396 665 Q N 2.771 122.532 119.800 -0.064 0.000 2.965 665 Q HA 0.260 4.595 4.340 -0.008 0.000 0.288 665 Q C 0.573 176.582 176.000 0.015 0.000 0.974 665 Q CA -0.137 55.644 55.803 -0.037 0.000 0.849 665 Q CB 0.247 28.978 28.738 -0.012 0.000 1.280 665 Q HN 0.604 nan 8.270 nan 0.000 0.441 666 I N -1.498 119.068 120.570 -0.007 0.000 3.637 666 I HA 0.283 4.448 4.170 -0.008 0.000 0.342 666 I C 0.315 176.399 176.117 -0.054 0.000 1.545 666 I CA -0.655 60.655 61.300 0.017 0.000 1.126 666 I CB 0.262 38.277 38.000 0.025 0.000 1.375 666 I HN -0.022 nan 8.210 nan 0.000 0.467 667 S N 0.270 115.935 115.700 -0.057 0.000 2.576 667 S HA 0.230 4.695 4.470 -0.008 0.000 0.276 667 S C 0.553 175.145 174.600 -0.013 0.000 1.339 667 S CA -0.356 57.825 58.200 -0.030 0.000 1.039 667 S CB 0.560 63.791 63.200 0.052 0.000 0.902 667 S HN 0.402 nan 8.310 nan 0.000 0.516 668 T N 2.826 117.401 114.554 0.035 0.000 2.908 668 T HA 0.352 4.697 4.350 -0.008 0.000 0.301 668 T C 0.767 175.479 174.700 0.020 0.000 1.019 668 T CA 0.264 62.389 62.100 0.042 0.000 1.152 668 T CB -0.060 68.902 68.868 0.157 0.000 0.966 668 T HN 1.009 nan 8.240 nan 0.000 0.540 669 A N 2.803 125.604 122.820 -0.032 0.000 2.580 669 A HA 0.441 4.756 4.320 -0.008 0.000 0.244 669 A C 1.645 179.221 177.584 -0.013 0.000 1.045 669 A CA 0.317 52.331 52.037 -0.039 0.000 0.761 669 A CB -0.917 18.046 19.000 -0.061 0.000 0.962 669 A HN 1.709 nan 8.150 nan 0.000 0.512 670 G N 1.424 110.214 108.800 -0.016 0.000 2.176 670 G HA2 -0.237 3.719 3.960 -0.008 0.000 0.232 670 G HA3 -0.237 3.719 3.960 -0.008 0.000 0.232 670 G C 0.894 175.777 174.900 -0.029 0.000 0.986 670 G CA 1.075 46.166 45.100 -0.015 0.000 0.643 670 G HN 1.990 nan 8.290 nan 0.000 0.522 671 T N -2.381 112.151 114.554 -0.037 0.000 3.034 671 T HA 0.397 4.742 4.350 -0.008 0.000 0.248 671 T C 0.770 175.300 174.700 -0.284 0.000 1.040 671 T CA 1.114 63.119 62.100 -0.159 0.000 1.107 671 T CB 0.521 69.327 68.868 -0.103 0.000 0.932 671 T HN 0.279 nan 8.240 nan 0.000 0.474 672 E N 1.540 121.703 120.200 -0.062 0.000 2.052 672 E HA 0.663 5.008 4.350 -0.008 0.000 0.283 672 E C 1.170 177.717 176.600 -0.087 0.000 1.071 672 E CA 0.070 56.477 56.400 0.013 0.000 0.851 672 E CB 0.762 30.537 29.700 0.126 0.000 1.066 672 E HN 0.342 nan 8.360 nan 0.000 0.396 673 A N 3.489 126.186 122.820 -0.205 0.000 1.884 673 A HA -0.255 4.061 4.320 -0.008 0.000 0.219 673 A C 1.988 179.452 177.584 -0.199 0.000 1.197 673 A CA 2.450 54.243 52.037 -0.406 0.000 0.637 673 A CB -0.387 18.175 19.000 -0.729 0.000 0.827 673 A HN 0.622 nan 8.150 nan 0.000 0.450 674 S N -4.107 111.531 115.700 -0.104 0.000 3.984 674 S HA 0.454 4.919 4.470 -0.008 0.000 0.221 674 S C 0.666 175.257 174.600 -0.015 0.000 1.149 674 S CA 1.381 59.564 58.200 -0.028 0.000 0.950 674 S CB -0.081 63.126 63.200 0.010 0.000 1.216 674 S HN 2.353 nan 8.310 nan 0.000 0.547 675 G N 0.291 109.088 108.800 -0.006 0.000 2.721 675 G HA2 -0.026 3.929 3.960 -0.008 0.000 0.686 675 G HA3 -0.026 3.929 3.960 -0.008 0.000 0.686 675 G C 0.217 175.099 174.900 -0.031 0.000 1.236 675 G CA 0.441 45.535 45.100 -0.011 0.000 0.786 675 G HN 1.314 nan 8.290 nan 0.000 0.616 676 T N -1.830 112.690 114.554 -0.057 0.000 2.992 676 T HA 0.378 4.724 4.350 -0.008 0.000 0.255 676 T C 2.356 176.945 174.700 -0.185 0.000 0.938 676 T CA 1.224 63.260 62.100 -0.108 0.000 0.895 676 T CB 0.351 69.150 68.868 -0.114 0.000 1.221 676 T HN 1.863 nan 8.240 nan 0.000 0.512 677 G N 3.144 111.859 108.800 -0.142 0.000 2.422 677 G HA2 -0.258 3.697 3.960 -0.008 0.000 0.218 677 G HA3 -0.258 3.697 3.960 -0.008 0.000 0.218 677 G C 1.458 176.363 174.900 0.008 0.000 1.146 677 G CA 1.150 46.162 45.100 -0.146 0.000 0.769 677 G HN 0.822 nan 8.290 nan 0.000 0.547 678 N N 0.147 118.874 118.700 0.046 0.000 2.149 678 N HA -0.150 4.585 4.740 -0.008 0.000 0.188 678 N C 2.203 177.719 175.510 0.010 0.000 1.019 678 N CA 1.332 54.432 53.050 0.082 0.000 0.857 678 N CB -0.356 38.130 38.487 -0.001 0.000 0.997 678 N HN 0.348 nan 8.380 nan 0.000 0.426 679 M N 0.492 120.024 119.600 -0.114 0.000 2.200 679 M HA -0.011 4.464 4.480 -0.008 0.000 0.265 679 M C 1.995 178.230 176.300 -0.109 0.000 1.066 679 M CA 1.368 56.582 55.300 -0.142 0.000 1.127 679 M CB -0.041 32.482 32.600 -0.129 0.000 1.379 679 M HN 0.047 nan 8.290 nan 0.000 0.420 680 K N 0.283 120.534 120.400 -0.248 0.000 2.026 680 K HA -0.104 4.211 4.320 -0.008 0.000 0.208 680 K C 1.585 178.032 176.600 -0.256 0.000 1.048 680 K CA 1.603 57.667 56.287 -0.372 0.000 0.929 680 K CB -0.284 31.753 32.500 -0.771 0.000 0.713 680 K HN 0.111 nan 8.250 nan 0.000 0.439 681 F N 0.715 120.594 119.950 -0.119 0.000 2.134 681 F HA -0.140 4.382 4.527 -0.009 0.000 0.299 681 F C 2.457 178.230 175.800 -0.044 0.000 1.097 681 F CA 1.304 59.260 58.000 -0.073 0.000 1.264 681 F CB -0.375 38.572 39.000 -0.087 0.000 1.001 681 F HN 0.029 nan 8.300 nan 0.000 0.479 682 M N -0.489 119.194 119.600 0.138 0.000 2.117 682 M HA -0.183 4.292 4.480 -0.008 0.000 0.262 682 M C 2.057 178.410 176.300 0.088 0.000 1.065 682 M CA 1.576 56.931 55.300 0.091 0.000 1.114 682 M CB -0.231 32.420 32.600 0.085 0.000 1.361 682 M HN 0.251 nan 8.290 nan 0.000 0.408 683 L N 0.886 122.157 121.223 0.080 0.000 2.291 683 L HA -0.064 4.271 4.340 -0.008 0.000 0.214 683 L C 1.369 178.285 176.870 0.077 0.000 1.120 683 L CA 1.581 56.476 54.840 0.092 0.000 0.799 683 L CB -0.617 41.504 42.059 0.103 0.000 0.925 683 L HN 0.371 nan 8.230 nan 0.000 0.446 684 N N -0.239 118.498 118.700 0.061 0.000 2.235 684 N HA 0.158 4.893 4.740 -0.008 0.000 0.209 684 N C 0.836 176.386 175.510 0.068 0.000 1.122 684 N CA 0.797 53.881 53.050 0.056 0.000 0.845 684 N CB 0.546 39.048 38.487 0.025 0.000 1.004 684 N HN 0.398 nan 8.380 nan 0.000 0.499 685 G N 0.501 109.344 108.800 0.071 0.000 2.142 685 G HA2 -0.179 3.776 3.960 -0.008 0.000 0.225 685 G HA3 -0.179 3.776 3.960 -0.008 0.000 0.225 685 G C -0.053 174.917 174.900 0.115 0.000 1.015 685 G CA 0.128 45.270 45.100 0.071 0.000 0.716 685 G HN 0.519 nan 8.290 nan 0.000 0.508 686 A N -0.593 122.302 122.820 0.124 0.000 2.337 686 A HA 0.909 5.224 4.320 -0.008 0.000 0.331 686 A C -0.211 177.374 177.584 0.003 0.000 1.137 686 A CA -0.690 51.435 52.037 0.148 0.000 0.807 686 A CB 1.445 20.581 19.000 0.226 0.000 1.250 686 A HN 0.759 nan 8.150 nan 0.000 0.468 687 L N 0.602 121.790 121.223 -0.058 0.000 2.360 687 L HA 0.580 4.915 4.340 -0.008 0.000 0.271 687 L C 0.501 177.236 176.870 -0.224 0.000 1.057 687 L CA 0.405 55.102 54.840 -0.238 0.000 0.803 687 L CB 1.620 43.438 42.059 -0.402 0.000 1.207 687 L HN 0.740 nan 8.230 nan 0.000 0.445 688 T N 3.841 118.133 114.554 -0.436 0.000 2.779 688 T HA 0.538 4.883 4.350 -0.008 0.000 0.280 688 T C -0.344 174.225 174.700 -0.219 0.000 0.987 688 T CA -0.188 61.645 62.100 -0.445 0.000 0.966 688 T CB 0.966 69.382 68.868 -0.752 0.000 0.933 688 T HN 0.438 nan 8.240 nan 0.000 0.442 689 I N 2.837 123.378 120.570 -0.049 0.000 2.362 689 I HA 0.740 4.905 4.170 -0.008 0.000 0.289 689 I C 0.047 176.324 176.117 0.266 0.000 0.994 689 I CA 0.049 61.432 61.300 0.139 0.000 1.158 689 I CB 0.517 38.507 38.000 -0.018 0.000 1.315 689 I HN 0.802 nan 8.210 nan 0.000 0.451 690 G N 3.988 113.054 108.800 0.444 0.000 2.495 690 G HA2 0.427 4.382 3.960 -0.008 0.000 0.294 690 G HA3 0.427 4.382 3.960 -0.008 0.000 0.294 690 G C -0.963 173.913 174.900 -0.039 0.000 1.397 690 G CA -0.270 45.023 45.100 0.322 0.000 0.790 690 G HN 0.592 nan 8.290 nan 0.000 0.486 691 T N -1.630 112.763 114.554 -0.268 0.000 2.881 691 T HA 0.556 4.901 4.350 -0.008 0.000 0.278 691 T C 0.643 175.241 174.700 -0.170 0.000 0.982 691 T CA -0.710 61.140 62.100 -0.417 0.000 0.989 691 T CB 1.211 69.841 68.868 -0.396 0.000 1.058 691 T HN 0.270 nan 8.240 nan 0.000 0.529 692 M N 2.783 122.288 119.600 -0.158 0.000 3.237 692 M HA 0.344 4.819 4.480 -0.008 0.000 0.266 692 M C -0.525 175.727 176.300 -0.080 0.000 1.456 692 M CA -0.091 55.151 55.300 -0.098 0.000 1.593 692 M CB -1.672 30.877 32.600 -0.086 0.000 1.129 692 M HN 0.725 nan 8.290 nan 0.000 0.547 693 D N -0.060 120.300 120.400 -0.066 0.000 2.601 693 D HA 0.688 5.323 4.640 -0.008 0.000 0.230 693 D C 0.792 177.073 176.300 -0.032 0.000 1.106 693 D CA 0.664 54.637 54.000 -0.044 0.000 0.873 693 D CB 1.770 42.547 40.800 -0.039 0.000 1.515 693 D HN 0.587 nan 8.370 nan 0.000 0.468 694 G N 1.415 110.204 108.800 -0.019 0.000 2.661 694 G HA2 -0.290 3.666 3.960 -0.008 0.000 0.327 694 G HA3 -0.290 3.666 3.960 -0.008 0.000 0.327 694 G C 1.074 175.967 174.900 -0.013 0.000 1.320 694 G CA 1.397 46.490 45.100 -0.012 0.000 0.997 694 G HN 1.007 nan 8.290 nan 0.000 0.543 695 A N -0.500 122.307 122.820 -0.022 0.000 2.168 695 A HA 0.068 4.383 4.320 -0.008 0.000 0.215 695 A C 2.142 179.658 177.584 -0.114 0.000 1.152 695 A CA 1.895 53.908 52.037 -0.039 0.000 0.716 695 A CB -0.464 18.497 19.000 -0.066 0.000 0.794 695 A HN 0.630 nan 8.150 nan 0.000 0.465 696 N N 0.563 119.208 118.700 -0.091 0.000 2.091 696 N HA -0.170 4.565 4.740 -0.008 0.000 0.193 696 N C 1.593 176.975 175.510 -0.214 0.000 1.021 696 N CA 1.686 54.677 53.050 -0.098 0.000 0.862 696 N CB -0.647 37.835 38.487 -0.009 0.000 1.018 696 N HN 0.288 nan 8.380 nan 0.000 0.429 697 V N 1.158 120.991 119.914 -0.135 0.000 2.287 697 V HA -0.222 3.894 4.120 -0.008 0.000 0.248 697 V C 1.935 177.950 176.094 -0.132 0.000 1.053 697 V CA 1.750 63.969 62.300 -0.134 0.000 1.027 697 V CB -0.520 31.260 31.823 -0.071 0.000 0.646 697 V HN 0.375 nan 8.190 nan 0.000 0.447 698 E N -0.634 119.539 120.200 -0.044 0.000 2.208 698 E HA -0.132 4.213 4.350 -0.008 0.000 0.193 698 E C 2.186 178.871 176.600 0.143 0.000 0.988 698 E CA 1.028 57.473 56.400 0.074 0.000 0.828 698 E CB -0.175 29.654 29.700 0.215 0.000 0.763 698 E HN 0.553 nan 8.360 nan 0.000 0.478 699 M N 0.465 120.025 119.600 -0.066 0.000 2.077 699 M HA -0.108 4.367 4.480 -0.008 0.000 0.261 699 M C 2.512 178.567 176.300 -0.409 0.000 1.070 699 M CA 1.522 56.719 55.300 -0.172 0.000 1.125 699 M CB -0.180 32.183 32.600 -0.394 0.000 1.339 699 M HN 0.128 nan 8.290 nan 0.000 0.409 700 A N -0.222 122.031 122.820 -0.946 0.000 1.972 700 A HA -0.216 4.099 4.320 -0.008 0.000 0.219 700 A C 1.980 179.349 177.584 -0.358 0.000 1.169 700 A CA 1.928 53.352 52.037 -1.020 0.000 0.635 700 A CB -0.804 17.615 19.000 -0.969 0.000 0.810 700 A HN 0.590 nan 8.150 nan 0.000 0.446 701 E N -0.489 119.575 120.200 -0.227 0.000 2.106 701 E HA -0.184 4.161 4.350 -0.008 0.000 0.192 701 E C 1.680 178.250 176.600 -0.051 0.000 0.984 701 E CA 1.102 57.440 56.400 -0.104 0.000 0.806 701 E CB -0.006 29.656 29.700 -0.064 0.000 0.750 701 E HN 0.564 nan 8.360 nan 0.000 0.458 702 E N -0.179 120.016 120.200 -0.008 0.000 2.112 702 E HA -0.070 4.275 4.350 -0.008 0.000 0.190 702 E C 1.708 178.331 176.600 0.038 0.000 0.979 702 E CA 0.943 57.365 56.400 0.036 0.000 0.814 702 E CB 0.084 29.859 29.700 0.124 0.000 0.762 702 E HN 0.314 nan 8.360 nan 0.000 0.460 703 A N 0.434 123.277 122.820 0.039 0.000 2.095 703 A HA 0.384 4.699 4.320 -0.008 0.000 0.212 703 A C 1.029 178.630 177.584 0.029 0.000 1.162 703 A CA 0.971 53.049 52.037 0.068 0.000 0.753 703 A CB 0.175 19.277 19.000 0.169 0.000 0.840 703 A HN 0.215 nan 8.150 nan 0.000 0.468 704 G N -0.287 108.504 108.800 -0.014 0.000 3.225 704 G HA2 -0.086 3.869 3.960 -0.008 0.000 0.686 704 G HA3 -0.086 3.869 3.960 -0.008 0.000 0.686 704 G C -0.026 174.861 174.900 -0.022 0.000 1.105 704 G CA 0.004 45.090 45.100 -0.024 0.000 0.831 704 G HN 0.252 nan 8.290 nan 0.000 0.578 705 E N 0.984 121.159 120.200 -0.043 0.000 2.187 705 E HA -0.233 4.112 4.350 -0.008 0.000 0.199 705 E C 2.013 178.603 176.600 -0.017 0.000 1.004 705 E CA 1.907 58.292 56.400 -0.026 0.000 0.813 705 E CB 0.061 29.743 29.700 -0.031 0.000 0.736 705 E HN 0.778 nan 8.360 nan 0.000 0.468 706 E N 0.526 120.701 120.200 -0.041 0.000 2.338 706 E HA -0.083 4.262 4.350 -0.008 0.000 0.197 706 E C 1.001 177.508 176.600 -0.156 0.000 1.007 706 E CA 0.598 56.949 56.400 -0.083 0.000 0.849 706 E CB -0.023 29.642 29.700 -0.059 0.000 0.774 706 E HN 0.189 nan 8.360 nan 0.000 0.506 707 N N -0.393 118.246 118.700 -0.100 0.000 2.268 707 N HA 0.121 4.856 4.740 -0.008 0.000 0.204 707 N C -0.836 174.574 175.510 -0.166 0.000 1.124 707 N CA 0.118 53.077 53.050 -0.151 0.000 0.838 707 N CB 0.367 38.826 38.487 -0.047 0.000 0.994 707 N HN 0.060 nan 8.380 nan 0.000 0.489 708 F N -0.482 119.250 119.950 -0.364 0.000 2.577 708 F HA 0.415 4.936 4.527 -0.009 0.000 0.318 708 F C -0.579 174.979 175.800 -0.403 0.000 1.065 708 F CA -1.142 56.678 58.000 -0.301 0.000 0.929 708 F CB 1.291 40.213 39.000 -0.130 0.000 1.237 708 F HN -0.229 nan 8.300 nan 0.000 0.468 709 F N 4.800 124.748 119.950 -0.003 0.000 2.387 709 F HA 0.362 4.884 4.527 -0.008 0.000 0.332 709 F C -0.287 175.642 175.800 0.215 0.000 1.174 709 F CA -0.606 57.428 58.000 0.057 0.000 1.257 709 F CB -0.176 38.797 39.000 -0.045 0.000 1.569 709 F HN -0.013 nan 8.300 nan 0.000 0.554 710 I N 3.104 123.885 120.570 0.352 0.000 2.519 710 I HA 0.302 4.467 4.170 -0.008 0.000 0.287 710 I C 0.026 176.340 176.117 0.328 0.000 1.047 710 I CA -0.455 61.022 61.300 0.295 0.000 1.381 710 I CB 0.379 38.472 38.000 0.155 0.000 1.417 710 I HN 0.312 nan 8.210 nan 0.000 0.540 711 F N 2.265 122.284 119.950 0.115 0.000 2.789 711 F HA 0.841 5.363 4.527 -0.009 0.000 0.319 711 F C 0.066 175.912 175.800 0.077 0.000 1.168 711 F CA -0.480 57.578 58.000 0.096 0.000 0.934 711 F CB 0.851 39.919 39.000 0.113 0.000 1.375 711 F HN 0.809 nan 8.300 nan 0.000 0.480 712 G N 0.785 109.610 108.800 0.043 0.000 2.782 712 G HA2 -0.103 3.852 3.960 -0.008 0.000 0.228 712 G HA3 -0.103 3.852 3.960 -0.008 0.000 0.228 712 G C -0.801 174.055 174.900 -0.073 0.000 1.372 712 G CA -0.480 44.578 45.100 -0.069 0.000 0.862 712 G HN 0.942 nan 8.290 nan 0.000 0.547 713 M N 0.636 120.208 119.600 -0.048 0.000 2.248 713 M HA 0.316 4.791 4.480 -0.008 0.000 0.337 713 M C 1.203 177.465 176.300 -0.064 0.000 1.121 713 M CA 0.047 55.331 55.300 -0.027 0.000 1.155 713 M CB 0.398 32.993 32.600 -0.008 0.000 1.514 713 M HN 0.518 nan 8.290 nan 0.000 0.452 714 R N 1.160 121.637 120.500 -0.038 0.000 2.608 714 R HA 0.349 4.685 4.340 -0.008 0.000 0.255 714 R C 1.210 177.490 176.300 -0.033 0.000 1.086 714 R CA -0.586 55.487 56.100 -0.044 0.000 1.125 714 R CB 0.304 30.585 30.300 -0.030 0.000 1.193 714 R HN 0.565 nan 8.270 nan 0.000 0.553 715 V N 1.297 121.191 119.914 -0.033 0.000 2.250 715 V HA -0.295 3.820 4.120 -0.008 0.000 0.250 715 V C 2.415 178.498 176.094 -0.018 0.000 1.060 715 V CA 2.329 64.613 62.300 -0.027 0.000 1.030 715 V CB -0.516 31.290 31.823 -0.029 0.000 0.643 715 V HN 0.775 nan 8.190 nan 0.000 0.445 716 E N -0.323 119.868 120.200 -0.014 0.000 2.118 716 E HA -0.277 4.068 4.350 -0.008 0.000 0.195 716 E C 1.860 178.462 176.600 0.004 0.000 0.992 716 E CA 1.514 57.910 56.400 -0.006 0.000 0.804 716 E CB -0.109 29.589 29.700 -0.003 0.000 0.741 716 E HN 0.647 nan 8.360 nan 0.000 0.458 717 D N -0.063 120.340 120.400 0.006 0.000 2.144 717 D HA -0.130 4.506 4.640 -0.008 0.000 0.199 717 D C 2.033 178.344 176.300 0.020 0.000 0.984 717 D CA 0.880 54.892 54.000 0.021 0.000 0.834 717 D CB 0.039 40.853 40.800 0.024 0.000 0.955 717 D HN 0.150 nan 8.370 nan 0.000 0.465 718 V N 1.595 121.509 119.914 0.000 0.000 2.427 718 V HA -0.178 3.937 4.120 -0.008 0.000 0.248 718 V C 1.980 178.072 176.094 -0.004 0.000 1.051 718 V CA 1.442 63.735 62.300 -0.013 0.000 1.048 718 V CB -0.326 31.482 31.823 -0.026 0.000 0.666 718 V HN 0.028 nan 8.190 nan 0.000 0.456 719 D N 0.817 121.217 120.400 -0.001 0.000 2.097 719 D HA -0.166 4.469 4.640 -0.008 0.000 0.195 719 D C 2.279 178.588 176.300 0.016 0.000 0.989 719 D CA 1.512 55.514 54.000 0.003 0.000 0.827 719 D CB -0.276 40.523 40.800 -0.002 0.000 0.966 719 D HN 0.541 nan 8.370 nan 0.000 0.456 720 R N 0.577 121.091 120.500 0.024 0.000 2.313 720 R HA 0.113 4.448 4.340 -0.008 0.000 0.199 720 R C 2.039 178.371 176.300 0.054 0.000 0.958 720 R CA 0.205 56.326 56.100 0.035 0.000 1.047 720 R CB -0.313 30.007 30.300 0.033 0.000 0.955 720 R HN 0.217 nan 8.270 nan 0.000 0.481 721 L N 0.492 121.752 121.223 0.061 0.000 2.202 721 L HA 0.008 4.343 4.340 -0.008 0.000 0.205 721 L C 1.204 178.133 176.870 0.099 0.000 1.083 721 L CA 1.011 55.912 54.840 0.101 0.000 0.790 721 L CB 0.014 42.136 42.059 0.106 0.000 0.942 721 L HN 0.161 nan 8.230 nan 0.000 0.452 722 D N -0.251 120.183 120.400 0.056 0.000 2.123 722 D HA -0.180 4.455 4.640 -0.008 0.000 0.200 722 D C 2.084 178.414 176.300 0.049 0.000 0.976 722 D CA 1.049 55.078 54.000 0.049 0.000 0.831 722 D CB 0.033 40.842 40.800 0.015 0.000 0.974 722 D HN 0.405 nan 8.370 nan 0.000 0.469 723 Q N 0.186 120.010 119.800 0.039 0.000 2.181 723 Q HA -0.126 4.209 4.340 -0.008 0.000 0.205 723 Q C 2.204 178.229 176.000 0.041 0.000 0.980 723 Q CA 0.930 56.753 55.803 0.034 0.000 0.862 723 Q CB 0.063 28.817 28.738 0.027 0.000 0.905 723 Q HN 0.151 nan 8.270 nan 0.000 0.429 724 R N 0.009 120.541 120.500 0.054 0.000 2.140 724 R HA 0.048 4.383 4.340 -0.008 0.000 0.213 724 R C -0.150 176.189 176.300 0.065 0.000 1.059 724 R CA 1.095 57.229 56.100 0.057 0.000 1.000 724 R CB 0.436 30.776 30.300 0.066 0.000 0.910 724 R HN 0.231 nan 8.270 nan 0.000 0.455 725 G N 0.538 109.391 108.800 0.089 0.000 3.233 725 G HA2 -0.231 3.724 3.960 -0.008 0.000 0.686 725 G HA3 -0.231 3.724 3.960 -0.008 0.000 0.686 725 G C -1.589 173.408 174.900 0.163 0.000 1.153 725 G CA -0.375 44.786 45.100 0.102 0.000 0.853 725 G HN 0.270 nan 8.290 nan 0.000 0.582 726 Y N 3.352 123.679 120.300 0.045 0.000 2.404 726 Y HA 0.572 5.117 4.550 -0.008 0.000 0.344 726 Y C 0.499 176.443 175.900 0.074 0.000 0.995 726 Y CA -0.882 57.262 58.100 0.074 0.000 1.201 726 Y CB 0.966 39.448 38.460 0.037 0.000 1.151 726 Y HN 0.579 nan 8.280 nan 0.000 0.517 727 N N 5.090 123.593 118.700 -0.328 0.000 2.696 727 N HA 0.358 5.093 4.740 -0.008 0.000 0.246 727 N C 0.365 175.640 175.510 -0.392 0.000 1.057 727 N CA 0.189 53.052 53.050 -0.312 0.000 0.867 727 N CB 0.953 39.374 38.487 -0.109 0.000 1.141 727 N HN 0.873 nan 8.380 nan 0.000 0.517 728 A N 2.572 125.015 122.820 -0.629 0.000 1.978 728 A HA -0.249 4.066 4.320 -0.008 0.000 0.220 728 A C 2.028 179.717 177.584 0.176 0.000 1.170 728 A CA 1.444 53.325 52.037 -0.260 0.000 0.636 728 A CB -0.421 18.337 19.000 -0.404 0.000 0.810 728 A HN 0.756 nan 8.150 nan 0.000 0.448 729 Q N 0.160 119.966 119.800 0.011 0.000 2.152 729 Q HA -0.231 4.104 4.340 -0.008 0.000 0.206 729 Q C 1.900 177.976 176.000 0.127 0.000 0.985 729 Q CA 2.271 58.107 55.803 0.055 0.000 0.863 729 Q CB -0.379 28.341 28.738 -0.030 0.000 0.904 729 Q HN 0.777 nan 8.270 nan 0.000 0.422 730 E N -1.410 118.817 120.200 0.044 0.000 2.118 730 E HA -0.234 4.111 4.350 -0.008 0.000 0.195 730 E C 1.439 177.989 176.600 -0.084 0.000 0.992 730 E CA 1.379 57.741 56.400 -0.063 0.000 0.804 730 E CB -0.165 29.414 29.700 -0.201 0.000 0.741 730 E HN 0.586 nan 8.360 nan 0.000 0.458 731 Y N -1.217 119.155 120.300 0.120 0.000 2.263 731 Y HA -0.173 4.372 4.550 -0.008 0.000 0.292 731 Y C 2.137 178.050 175.900 0.022 0.000 1.130 731 Y CA 1.365 59.526 58.100 0.101 0.000 1.179 731 Y CB -0.578 37.995 38.460 0.188 0.000 0.998 731 Y HN 0.215 nan 8.280 nan 0.000 0.532 732 Y N 1.294 121.645 120.300 0.086 0.000 2.224 732 Y HA -0.246 4.299 4.550 -0.008 0.000 0.289 732 Y C 1.714 177.593 175.900 -0.035 0.000 1.146 732 Y CA 1.758 59.834 58.100 -0.039 0.000 1.182 732 Y CB -0.332 38.156 38.460 0.047 0.000 0.983 732 Y HN 0.099 nan 8.280 nan 0.000 0.524 733 D N -0.345 120.181 120.400 0.210 0.000 2.234 733 D HA -0.055 4.580 4.640 -0.008 0.000 0.205 733 D C 1.822 178.117 176.300 -0.009 0.000 0.962 733 D CA 1.031 55.093 54.000 0.103 0.000 0.855 733 D CB -0.100 40.764 40.800 0.108 0.000 0.951 733 D HN 0.454 nan 8.370 nan 0.000 0.500 734 R N -0.196 120.292 120.500 -0.020 0.000 2.312 734 R HA 0.300 4.635 4.340 -0.008 0.000 0.205 734 R C 0.395 176.677 176.300 -0.030 0.000 0.904 734 R CA 0.144 56.225 56.100 -0.031 0.000 1.052 734 R CB 1.026 31.300 30.300 -0.043 0.000 1.014 734 R HN 0.085 nan 8.270 nan 0.000 0.503 735 I N 1.393 121.926 120.570 -0.062 0.000 2.464 735 I HA 0.225 4.390 4.170 -0.008 0.000 0.277 735 I C -2.033 173.997 176.117 -0.145 0.000 1.040 735 I CA -2.401 58.865 61.300 -0.056 0.000 1.153 735 I CB 2.052 40.052 38.000 -0.000 0.000 1.274 735 I HN -0.272 nan 8.210 nan 0.000 0.469 736 P HA -0.214 nan 4.420 nan 0.000 0.216 736 P C 1.207 178.419 177.300 -0.148 0.000 1.157 736 P CA 1.580 64.599 63.100 -0.135 0.000 0.880 736 P CB 0.290 31.942 31.700 -0.080 0.000 0.791 737 E N -1.144 119.006 120.200 -0.083 0.000 2.110 737 E HA -0.178 4.167 4.350 -0.008 0.000 0.193 737 E C 1.901 178.406 176.600 -0.158 0.000 0.988 737 E CA 0.783 57.147 56.400 -0.061 0.000 0.804 737 E CB -0.648 29.086 29.700 0.056 0.000 0.745 737 E HN 0.123 nan 8.360 nan 0.000 0.458 738 L N 1.353 122.404 121.223 -0.286 0.000 2.056 738 L HA -0.128 4.207 4.340 -0.008 0.000 0.207 738 L C 2.349 178.932 176.870 -0.477 0.000 1.078 738 L CA 1.631 56.126 54.840 -0.575 0.000 0.749 738 L CB -0.358 41.225 42.059 -0.793 0.000 0.901 738 L HN -0.083 nan 8.230 nan 0.000 0.433 739 R N -0.783 119.416 120.500 -0.502 0.000 2.073 739 R HA -0.241 4.095 4.340 -0.008 0.000 0.234 739 R C 2.391 178.492 176.300 -0.332 0.000 1.134 739 R CA 1.977 57.673 56.100 -0.674 0.000 0.952 739 R CB -0.359 29.495 30.300 -0.743 0.000 0.850 739 R HN 0.641 nan 8.270 nan 0.000 0.433 740 Q N 0.488 120.148 119.800 -0.233 0.000 2.096 740 Q HA -0.186 4.149 4.340 -0.008 0.000 0.204 740 Q C 2.079 178.020 176.000 -0.098 0.000 0.982 740 Q CA 1.902 57.620 55.803 -0.142 0.000 0.850 740 Q CB -0.128 28.533 28.738 -0.128 0.000 0.901 740 Q HN 0.479 nan 8.270 nan 0.000 0.422 741 I N 0.729 121.236 120.570 -0.105 0.000 2.163 741 I HA -0.292 3.873 4.170 -0.008 0.000 0.243 741 I C 2.178 178.308 176.117 0.022 0.000 1.085 741 I CA 0.753 62.030 61.300 -0.039 0.000 1.347 741 I CB -0.319 37.628 38.000 -0.088 0.000 1.044 741 I HN 0.332 nan 8.210 nan 0.000 0.408 742 I N 0.832 121.410 120.570 0.013 0.000 2.286 742 I HA -0.245 3.921 4.170 -0.008 0.000 0.248 742 I C 2.420 178.635 176.117 0.164 0.000 1.115 742 I CA 1.681 63.065 61.300 0.140 0.000 1.392 742 I CB -1.272 36.903 38.000 0.292 0.000 1.065 742 I HN 0.357 nan 8.210 nan 0.000 0.418 743 E N 0.421 120.693 120.200 0.120 0.000 2.106 743 E HA -0.222 4.123 4.350 -0.008 0.000 0.192 743 E C 2.145 178.811 176.600 0.110 0.000 0.984 743 E CA 0.849 57.318 56.400 0.115 0.000 0.806 743 E CB -0.135 29.601 29.700 0.060 0.000 0.750 743 E HN 0.600 nan 8.360 nan 0.000 0.458 744 Q N 0.483 120.334 119.800 0.085 0.000 2.079 744 Q HA -0.097 4.238 4.340 -0.008 0.000 0.200 744 Q C 2.336 178.522 176.000 0.311 0.000 0.974 744 Q CA 0.903 56.775 55.803 0.116 0.000 0.840 744 Q CB -0.028 28.704 28.738 -0.010 0.000 0.898 744 Q HN 0.306 nan 8.270 nan 0.000 0.430 745 L N -0.037 121.373 121.223 0.312 0.000 2.093 745 L HA -0.160 4.175 4.340 -0.008 0.000 0.208 745 L C 2.367 179.430 176.870 0.321 0.000 1.085 745 L CA 0.865 55.914 54.840 0.349 0.000 0.755 745 L CB -0.241 41.940 42.059 0.203 0.000 0.904 745 L HN 0.141 nan 8.230 nan 0.000 0.435 746 S N -0.435 115.407 115.700 0.236 0.000 2.371 746 S HA -0.123 4.342 4.470 -0.008 0.000 0.224 746 S C 2.110 176.814 174.600 0.174 0.000 1.029 746 S CA 1.330 59.647 58.200 0.195 0.000 0.978 746 S CB -0.112 63.184 63.200 0.160 0.000 0.833 746 S HN 0.579 nan 8.310 nan 0.000 0.466 747 S N 0.669 116.472 115.700 0.171 0.000 2.481 747 S HA 0.230 4.695 4.470 -0.008 0.000 0.231 747 S C 1.524 176.215 174.600 0.151 0.000 0.996 747 S CA 0.841 59.128 58.200 0.144 0.000 0.942 747 S CB -0.311 62.968 63.200 0.132 0.000 0.768 747 S HN 0.821 nan 8.310 nan 0.000 0.520 748 G N 0.450 109.373 108.800 0.205 0.000 2.134 748 G HA2 -0.277 3.678 3.960 -0.008 0.000 0.209 748 G HA3 -0.277 3.678 3.960 -0.008 0.000 0.209 748 G C 0.196 175.187 174.900 0.152 0.000 0.993 748 G CA 0.098 45.304 45.100 0.177 0.000 0.669 748 G HN 0.527 nan 8.290 nan 0.000 0.519 749 F N 0.270 120.227 119.950 0.011 0.000 2.250 749 F HA 0.196 4.718 4.527 -0.008 0.000 0.301 749 F C 1.765 177.351 175.800 -0.356 0.000 1.077 749 F CA 1.869 59.752 58.000 -0.195 0.000 1.348 749 F CB -0.032 38.788 39.000 -0.300 0.000 1.040 749 F HN 0.172 nan 8.300 nan 0.000 0.509 750 F N -0.416 119.657 119.950 0.205 0.000 2.695 750 F HA 0.216 4.738 4.527 -0.008 0.000 0.303 750 F C 0.601 176.498 175.800 0.162 0.000 1.091 750 F CA 0.192 58.270 58.000 0.131 0.000 1.300 750 F CB -0.004 39.103 39.000 0.179 0.000 1.071 750 F HN -0.033 nan 8.300 nan 0.000 0.578 751 S N -1.960 113.870 115.700 0.217 0.000 2.564 751 S HA 0.309 4.774 4.470 -0.008 0.000 0.141 751 S C -2.454 172.153 174.600 0.011 0.000 1.474 751 S CA -1.000 57.253 58.200 0.088 0.000 1.236 751 S CB 0.860 64.057 63.200 -0.004 0.000 1.481 751 S HN -0.179 nan 8.310 nan 0.000 0.397 752 P HA -0.121 nan 4.420 nan 0.000 0.215 752 P C 1.029 178.311 177.300 -0.031 0.000 1.157 752 P CA 1.442 64.510 63.100 -0.053 0.000 0.874 752 P CB 0.072 31.716 31.700 -0.093 0.000 0.790 753 K N -1.383 118.999 120.400 -0.030 0.000 2.418 753 K HA 0.026 4.341 4.320 -0.008 0.000 0.195 753 K C 0.659 177.249 176.600 -0.016 0.000 1.035 753 K CA 0.704 56.979 56.287 -0.021 0.000 1.003 753 K CB 0.108 32.597 32.500 -0.018 0.000 0.793 753 K HN 0.281 nan 8.250 nan 0.000 0.494 754 Q N -0.443 119.342 119.800 -0.024 0.000 3.300 754 Q HA 0.153 4.488 4.340 -0.008 0.000 0.271 754 Q C -2.401 173.577 176.000 -0.035 0.000 0.926 754 Q CA -1.549 54.234 55.803 -0.033 0.000 0.788 754 Q CB 1.472 30.179 28.738 -0.052 0.000 1.385 754 Q HN -0.093 nan 8.270 nan 0.000 0.424 755 P HA -0.249 nan 4.420 nan 0.000 0.218 755 P C 0.627 177.954 177.300 0.045 0.000 1.154 755 P CA 1.682 64.801 63.100 0.033 0.000 0.872 755 P CB 0.181 31.901 31.700 0.034 0.000 0.790 756 D N -1.536 118.875 120.400 0.019 0.000 2.427 756 D HA 0.006 4.641 4.640 -0.008 0.000 0.224 756 D C 1.460 177.750 176.300 -0.018 0.000 1.157 756 D CA -0.321 53.699 54.000 0.034 0.000 0.828 756 D CB -0.757 40.067 40.800 0.041 0.000 0.974 756 D HN 0.030 nan 8.370 nan 0.000 0.498 757 L N -0.185 120.954 121.223 -0.139 0.000 2.081 757 L HA -0.018 4.317 4.340 -0.008 0.000 0.212 757 L C 0.969 177.612 176.870 -0.378 0.000 1.080 757 L CA 1.690 56.328 54.840 -0.336 0.000 0.754 757 L CB -0.606 41.056 42.059 -0.663 0.000 0.893 757 L HN 0.015 nan 8.230 nan 0.000 0.433 758 F N -0.294 119.714 119.950 0.097 0.000 2.730 758 F HA 0.165 4.687 4.527 -0.008 0.000 0.295 758 F C 1.808 177.665 175.800 0.096 0.000 1.143 758 F CA -0.252 57.798 58.000 0.084 0.000 1.367 758 F CB -0.304 38.735 39.000 0.066 0.000 0.970 758 F HN 0.099 nan 8.300 nan 0.000 0.514 759 K N -0.284 120.235 120.400 0.199 0.000 2.147 759 K HA -0.173 4.142 4.320 -0.008 0.000 0.205 759 K C 0.851 177.558 176.600 0.178 0.000 1.049 759 K CA 1.835 58.224 56.287 0.169 0.000 0.936 759 K CB -0.223 32.349 32.500 0.120 0.000 0.722 759 K HN 0.180 nan 8.250 nan 0.000 0.446 760 D N 1.315 121.831 120.400 0.194 0.000 2.149 760 D HA -0.069 4.566 4.640 -0.008 0.000 0.201 760 D C 2.103 178.516 176.300 0.188 0.000 0.972 760 D CA 0.858 54.978 54.000 0.199 0.000 0.835 760 D CB 0.047 41.001 40.800 0.256 0.000 0.966 760 D HN 0.196 nan 8.370 nan 0.000 0.476 761 I N 1.104 121.792 120.570 0.196 0.000 2.113 761 I HA -0.195 3.970 4.170 -0.008 0.000 0.238 761 I C 2.659 178.844 176.117 0.113 0.000 1.070 761 I CA 0.756 62.139 61.300 0.139 0.000 1.332 761 I CB -1.197 36.875 38.000 0.121 0.000 1.044 761 I HN -0.095 nan 8.210 nan 0.000 0.402 762 V N 1.411 121.408 119.914 0.138 0.000 2.287 762 V HA -0.288 3.827 4.120 -0.008 0.000 0.248 762 V C 2.441 178.574 176.094 0.066 0.000 1.053 762 V CA 1.989 64.357 62.300 0.113 0.000 1.027 762 V CB -0.959 30.948 31.823 0.141 0.000 0.646 762 V HN 0.485 nan 8.190 nan 0.000 0.447 763 N N -0.176 118.598 118.700 0.123 0.000 2.069 763 N HA -0.216 4.519 4.740 -0.008 0.000 0.191 763 N C 1.922 177.534 175.510 0.170 0.000 1.031 763 N CA 1.986 55.145 53.050 0.183 0.000 0.852 763 N CB -0.203 38.426 38.487 0.236 0.000 1.018 763 N HN 0.366 nan 8.380 nan 0.000 0.423 764 M N 0.461 120.158 119.600 0.163 0.000 2.117 764 M HA -0.126 4.350 4.480 -0.008 0.000 0.262 764 M C 1.685 177.992 176.300 0.012 0.000 1.065 764 M CA 1.024 56.422 55.300 0.163 0.000 1.114 764 M CB -0.570 32.121 32.600 0.151 0.000 1.361 764 M HN 0.065 nan 8.290 nan 0.000 0.408 765 L N 0.561 121.737 121.223 -0.078 0.000 2.046 765 L HA -0.177 4.158 4.340 -0.008 0.000 0.208 765 L C 2.403 178.974 176.870 -0.499 0.000 1.077 765 L CA 1.578 56.237 54.840 -0.301 0.000 0.747 765 L CB -1.001 40.918 42.059 -0.235 0.000 0.896 765 L HN 0.319 nan 8.230 nan 0.000 0.432 766 M N -1.870 117.493 119.600 -0.396 0.000 2.287 766 M HA -0.048 4.427 4.480 -0.008 0.000 0.266 766 M C 1.792 177.650 176.300 -0.737 0.000 1.079 766 M CA 1.388 56.340 55.300 -0.581 0.000 1.146 766 M CB -0.757 31.409 32.600 -0.724 0.000 1.374 766 M HN 0.333 nan 8.290 nan 0.000 0.435 767 H N -2.459 116.467 119.070 -0.240 0.000 3.205 767 H HA 0.238 4.789 4.556 -0.008 0.000 0.252 767 H C 0.116 174.991 175.328 -0.756 0.000 1.015 767 H CA 0.469 56.213 56.048 -0.506 0.000 1.192 767 H CB 0.354 29.735 29.762 -0.635 0.000 1.474 767 H HN 0.484 nan 8.280 nan 0.000 0.484 768 H N 0.264 119.380 119.070 0.078 0.000 2.716 768 H HA 0.165 4.716 4.556 -0.008 0.000 0.230 768 H C -0.815 174.531 175.328 0.029 0.000 1.401 768 H CA -0.393 55.692 56.048 0.062 0.000 1.168 768 H CB 0.749 30.555 29.762 0.073 0.000 1.935 768 H HN -0.007 nan 8.280 nan 0.000 0.538 769 D N 1.054 121.499 120.400 0.075 0.000 2.441 769 D HA 0.114 4.749 4.640 -0.008 0.000 0.221 769 D C 0.945 177.192 176.300 -0.088 0.000 1.156 769 D CA -0.331 53.685 54.000 0.027 0.000 0.896 769 D CB 0.579 41.381 40.800 0.003 0.000 1.028 769 D HN 0.341 nan 8.370 nan 0.000 0.509 770 R N 2.193 122.538 120.500 -0.259 0.000 2.237 770 R HA -0.043 4.292 4.340 -0.008 0.000 0.219 770 R C 0.659 176.447 176.300 -0.854 0.000 1.080 770 R CA 0.872 56.616 56.100 -0.594 0.000 0.995 770 R CB 0.083 29.849 30.300 -0.890 0.000 0.875 770 R HN 0.389 nan 8.270 nan 0.000 0.462 771 F N 0.678 120.600 119.950 -0.047 0.000 2.641 771 F HA 0.246 4.768 4.527 -0.008 0.000 0.302 771 F C 0.089 175.776 175.800 -0.189 0.000 1.098 771 F CA -0.645 57.310 58.000 -0.076 0.000 1.318 771 F CB 0.038 39.052 39.000 0.022 0.000 1.035 771 F HN -0.238 nan 8.300 nan 0.000 0.551 772 K N -0.335 119.873 120.400 -0.319 0.000 3.278 772 K HA -0.184 4.131 4.320 -0.008 0.000 0.270 772 K C 0.988 177.475 176.600 -0.188 0.000 0.955 772 K CA 0.178 56.109 56.287 -0.593 0.000 0.723 772 K CB -1.813 30.241 32.500 -0.743 0.000 1.382 772 K HN 0.211 nan 8.250 nan 0.000 0.461 773 V N 0.006 119.894 119.914 -0.043 0.000 2.287 773 V HA -0.275 3.841 4.120 -0.008 0.000 0.248 773 V C 1.968 178.212 176.094 0.249 0.000 1.053 773 V CA 2.205 64.558 62.300 0.089 0.000 1.027 773 V CB -0.507 31.375 31.823 0.099 0.000 0.646 773 V HN 0.511 nan 8.190 nan 0.000 0.447 774 F N 0.301 120.247 119.950 -0.008 0.000 2.171 774 F HA -0.181 4.341 4.527 -0.008 0.000 0.300 774 F C 2.563 178.143 175.800 -0.366 0.000 1.090 774 F CA 0.629 58.556 58.000 -0.121 0.000 1.293 774 F CB -0.425 38.495 39.000 -0.134 0.000 1.013 774 F HN 0.196 nan 8.300 nan 0.000 0.486 775 A N -0.307 122.344 122.820 -0.282 0.000 2.032 775 A HA -0.222 4.094 4.320 -0.008 0.000 0.221 775 A C 1.465 179.068 177.584 0.033 0.000 1.165 775 A CA 2.074 53.923 52.037 -0.313 0.000 0.645 775 A CB -0.502 18.421 19.000 -0.129 0.000 0.807 775 A HN 0.280 nan 8.150 nan 0.000 0.453 776 D N -3.016 117.450 120.400 0.110 0.000 2.398 776 D HA 0.097 4.732 4.640 -0.008 0.000 0.210 776 D C 1.126 177.598 176.300 0.288 0.000 1.094 776 D CA -0.079 54.055 54.000 0.224 0.000 0.839 776 D CB -0.109 40.831 40.800 0.234 0.000 0.963 776 D HN 0.602 nan 8.370 nan 0.000 0.506 777 Y N 2.235 122.622 120.300 0.144 0.000 2.070 777 Y HA -0.244 4.302 4.550 -0.008 0.000 0.280 777 Y C 2.187 178.181 175.900 0.157 0.000 1.148 777 Y CA 1.942 60.133 58.100 0.152 0.000 1.125 777 Y CB 0.158 38.666 38.460 0.081 0.000 0.975 777 Y HN -0.122 nan 8.280 nan 0.000 0.492 778 E N -0.091 120.170 120.200 0.103 0.000 2.049 778 E HA -0.323 4.022 4.350 -0.008 0.000 0.198 778 E C 2.221 178.796 176.600 -0.042 0.000 1.007 778 E CA 1.725 58.113 56.400 -0.020 0.000 0.809 778 E CB -0.233 29.558 29.700 0.151 0.000 0.749 778 E HN 0.615 nan 8.360 nan 0.000 0.450 779 E N -0.502 119.755 120.200 0.095 0.000 2.153 779 E HA -0.224 4.121 4.350 -0.008 0.000 0.194 779 E C 1.877 178.496 176.600 0.032 0.000 0.988 779 E CA 0.869 57.347 56.400 0.131 0.000 0.811 779 E CB -0.113 29.751 29.700 0.272 0.000 0.746 779 E HN 0.270 nan 8.360 nan 0.000 0.466 780 Y N 0.337 120.496 120.300 -0.236 0.000 2.133 780 Y HA -0.203 4.342 4.550 -0.008 0.000 0.287 780 Y C 2.009 177.546 175.900 -0.606 0.000 1.134 780 Y CA 1.435 59.084 58.100 -0.753 0.000 1.133 780 Y CB -0.560 37.534 38.460 -0.610 0.000 0.987 780 Y HN -0.105 nan 8.280 nan 0.000 0.502 781 V N 0.945 120.553 119.914 -0.511 0.000 2.287 781 V HA -0.350 3.765 4.120 -0.008 0.000 0.248 781 V C 2.310 178.188 176.094 -0.359 0.000 1.053 781 V CA 2.444 64.455 62.300 -0.482 0.000 1.027 781 V CB -0.637 30.921 31.823 -0.442 0.000 0.646 781 V HN 0.351 nan 8.190 nan 0.000 0.447 782 K N -0.889 119.358 120.400 -0.254 0.000 2.026 782 K HA -0.216 4.099 4.320 -0.008 0.000 0.208 782 K C 2.303 178.800 176.600 -0.171 0.000 1.048 782 K CA 1.735 57.929 56.287 -0.155 0.000 0.929 782 K CB -0.651 31.806 32.500 -0.071 0.000 0.713 782 K HN 0.532 nan 8.250 nan 0.000 0.439 783 C N 1.618 120.791 119.300 -0.213 0.000 2.425 783 C HA -0.099 4.356 4.460 -0.008 0.000 0.277 783 C C 2.645 177.423 174.990 -0.354 0.000 1.280 783 C CA 0.839 59.748 59.018 -0.182 0.000 1.744 783 C CB -0.695 26.957 27.740 -0.148 0.000 1.989 783 C HN 0.418 nan 8.230 nan 0.000 0.491 784 Q N 0.415 119.876 119.800 -0.565 0.000 2.170 784 Q HA -0.156 4.179 4.340 -0.008 0.000 0.203 784 Q C 2.025 177.811 176.000 -0.357 0.000 0.976 784 Q CA 1.593 57.019 55.803 -0.629 0.000 0.858 784 Q CB -0.346 27.801 28.738 -0.986 0.000 0.907 784 Q HN 0.772 nan 8.270 nan 0.000 0.433 785 E N 0.191 120.246 120.200 -0.241 0.000 2.106 785 E HA -0.120 4.225 4.350 -0.008 0.000 0.192 785 E C 2.012 178.554 176.600 -0.096 0.000 0.984 785 E CA 0.490 56.811 56.400 -0.133 0.000 0.806 785 E CB -0.061 29.585 29.700 -0.091 0.000 0.750 785 E HN 0.266 nan 8.360 nan 0.000 0.458 786 R N 0.594 121.040 120.500 -0.090 0.000 2.148 786 R HA -0.058 4.277 4.340 -0.008 0.000 0.227 786 R C 2.340 178.622 176.300 -0.030 0.000 1.103 786 R CA 0.667 56.777 56.100 0.017 0.000 0.983 786 R CB -0.157 30.223 30.300 0.133 0.000 0.874 786 R HN 0.051 nan 8.270 nan 0.000 0.451 787 V N 0.285 119.992 119.914 -0.346 0.000 2.307 787 V HA -0.206 3.910 4.120 -0.008 0.000 0.245 787 V C 2.133 178.199 176.094 -0.045 0.000 1.045 787 V CA 1.831 63.825 62.300 -0.510 0.000 1.024 787 V CB -0.264 31.136 31.823 -0.706 0.000 0.651 787 V HN 0.256 nan 8.190 nan 0.000 0.449 788 S N 0.209 115.854 115.700 -0.092 0.000 2.382 788 S HA -0.165 4.300 4.470 -0.008 0.000 0.228 788 S C 2.211 176.860 174.600 0.082 0.000 1.027 788 S CA 1.413 59.599 58.200 -0.024 0.000 0.991 788 S CB -0.461 62.697 63.200 -0.070 0.000 0.823 788 S HN 0.643 nan 8.310 nan 0.000 0.469 789 A N 1.080 123.949 122.820 0.081 0.000 1.902 789 A HA -0.039 4.276 4.320 -0.008 0.000 0.217 789 A C 2.085 179.775 177.584 0.176 0.000 1.181 789 A CA 1.278 53.384 52.037 0.115 0.000 0.623 789 A CB -0.615 18.443 19.000 0.096 0.000 0.818 789 A HN 0.425 nan 8.150 nan 0.000 0.443 790 L N -2.077 119.306 121.223 0.268 0.000 2.156 790 L HA -0.045 4.290 4.340 -0.008 0.000 0.208 790 L C 2.184 179.328 176.870 0.456 0.000 1.095 790 L CA 1.693 56.769 54.840 0.393 0.000 0.770 790 L CB -0.763 41.633 42.059 0.562 0.000 0.914 790 L HN 0.494 nan 8.230 nan 0.000 0.439 791 Y N 0.342 120.758 120.300 0.194 0.000 2.352 791 Y HA -0.206 4.340 4.550 -0.007 0.000 0.292 791 Y C 2.294 178.130 175.900 -0.108 0.000 1.136 791 Y CA 1.555 59.532 58.100 -0.205 0.000 1.227 791 Y CB -0.119 38.043 38.460 -0.497 0.000 0.991 791 Y HN 0.175 nan 8.280 nan 0.000 0.545 792 K N -0.212 120.214 120.400 0.043 0.000 2.360 792 K HA -0.133 4.182 4.320 -0.008 0.000 0.201 792 K C 0.489 177.067 176.600 -0.037 0.000 1.046 792 K CA 0.818 57.112 56.287 0.012 0.000 0.945 792 K CB -0.087 32.471 32.500 0.096 0.000 0.750 792 K HN 0.057 nan 8.250 nan 0.000 0.464 793 N N 0.531 119.231 118.700 -0.000 0.000 3.044 793 N HA 0.128 4.863 4.740 -0.008 0.000 0.254 793 N C -2.416 173.100 175.510 0.009 0.000 1.253 793 N CA -2.075 50.982 53.050 0.012 0.000 0.944 793 N CB 1.015 39.541 38.487 0.065 0.000 1.217 793 N HN -0.184 nan 8.380 nan 0.000 0.498 794 P HA -0.268 nan 4.420 nan 0.000 0.222 794 P C 1.425 178.739 177.300 0.024 0.000 1.159 794 P CA 1.507 64.539 63.100 -0.113 0.000 0.920 794 P CB 0.278 31.887 31.700 -0.152 0.000 0.793 795 R N -0.231 120.280 120.500 0.019 0.000 2.083 795 R HA -0.183 4.152 4.340 -0.008 0.000 0.237 795 R C 1.975 178.318 176.300 0.071 0.000 1.137 795 R CA 1.605 57.728 56.100 0.038 0.000 0.951 795 R CB -0.443 29.870 30.300 0.022 0.000 0.851 795 R HN 0.127 nan 8.270 nan 0.000 0.434 796 E N -0.108 120.144 120.200 0.088 0.000 2.152 796 E HA -0.203 4.142 4.350 -0.008 0.000 0.192 796 E C 1.606 178.284 176.600 0.131 0.000 0.983 796 E CA 0.625 57.081 56.400 0.092 0.000 0.818 796 E CB -0.435 29.317 29.700 0.087 0.000 0.758 796 E HN 0.529 nan 8.360 nan 0.000 0.467 797 W N 2.241 123.543 121.300 0.004 0.000 2.355 797 W HA -0.163 4.491 4.660 -0.009 0.000 0.309 797 W C 1.548 178.077 176.519 0.017 0.000 1.206 797 W CA 1.995 59.360 57.345 0.033 0.000 1.284 797 W CB -0.472 28.994 29.460 0.011 0.000 1.145 797 W HN 0.007 nan 8.180 nan 0.000 0.502 798 T N 1.389 116.096 114.554 0.255 0.000 2.833 798 T HA -0.169 4.176 4.350 -0.008 0.000 0.269 798 T C 1.840 176.548 174.700 0.013 0.000 1.054 798 T CA 1.661 63.835 62.100 0.123 0.000 1.135 798 T CB -0.262 68.659 68.868 0.089 0.000 0.869 798 T HN 0.190 nan 8.240 nan 0.000 0.466 799 R N 0.308 120.820 120.500 0.021 0.000 2.115 799 R HA 0.166 4.501 4.340 -0.008 0.000 0.226 799 R C 2.467 178.751 176.300 -0.026 0.000 1.100 799 R CA 0.954 57.063 56.100 0.015 0.000 0.980 799 R CB -0.290 30.027 30.300 0.029 0.000 0.875 799 R HN 0.369 nan 8.270 nan 0.000 0.445 800 M N 0.490 120.037 119.600 -0.088 0.000 2.200 800 M HA -0.118 4.357 4.480 -0.008 0.000 0.265 800 M C 1.901 178.102 176.300 -0.164 0.000 1.066 800 M CA 1.316 56.526 55.300 -0.150 0.000 1.127 800 M CB 0.207 32.656 32.600 -0.252 0.000 1.379 800 M HN -0.039 nan 8.290 nan 0.000 0.420 801 V N 0.965 120.759 119.914 -0.200 0.000 2.287 801 V HA -0.315 3.800 4.120 -0.008 0.000 0.248 801 V C 2.235 178.300 176.094 -0.048 0.000 1.053 801 V CA 2.007 64.218 62.300 -0.148 0.000 1.027 801 V CB -0.622 31.138 31.823 -0.104 0.000 0.646 801 V HN 0.516 nan 8.190 nan 0.000 0.447 802 I N -0.564 119.997 120.570 -0.016 0.000 2.286 802 I HA -0.249 3.916 4.170 -0.008 0.000 0.248 802 I C 2.676 178.835 176.117 0.070 0.000 1.115 802 I CA 1.502 62.837 61.300 0.058 0.000 1.392 802 I CB -0.425 37.651 38.000 0.126 0.000 1.065 802 I HN 0.242 nan 8.210 nan 0.000 0.418 803 R N 0.421 120.941 120.500 0.034 0.000 2.148 803 R HA -0.085 4.250 4.340 -0.008 0.000 0.227 803 R C 1.925 178.254 176.300 0.049 0.000 1.103 803 R CA 0.991 57.112 56.100 0.036 0.000 0.983 803 R CB -0.382 29.924 30.300 0.009 0.000 0.874 803 R HN 0.549 nan 8.270 nan 0.000 0.451 804 N N 0.693 119.414 118.700 0.036 0.000 2.148 804 N HA -0.043 4.692 4.740 -0.008 0.000 0.186 804 N C 1.978 177.546 175.510 0.097 0.000 1.031 804 N CA 0.917 54.013 53.050 0.076 0.000 0.848 804 N CB 0.017 38.521 38.487 0.028 0.000 1.005 804 N HN 0.097 nan 8.380 nan 0.000 0.427 805 I N 1.737 122.351 120.570 0.073 0.000 2.208 805 I HA -0.254 3.911 4.170 -0.008 0.000 0.245 805 I C 2.439 178.609 176.117 0.088 0.000 1.097 805 I CA 0.934 62.284 61.300 0.083 0.000 1.363 805 I CB -0.352 37.688 38.000 0.067 0.000 1.051 805 I HN 0.103 nan 8.210 nan 0.000 0.413 806 A N 0.282 123.154 122.820 0.086 0.000 2.070 806 A HA -0.173 4.142 4.320 -0.008 0.000 0.220 806 A C 2.037 179.662 177.584 0.068 0.000 1.159 806 A CA 2.107 54.189 52.037 0.074 0.000 0.656 806 A CB -0.845 18.204 19.000 0.082 0.000 0.800 806 A HN 0.559 nan 8.150 nan 0.000 0.453 807 T N -3.189 111.419 114.554 0.090 0.000 3.132 807 T HA 0.184 4.529 4.350 -0.008 0.000 0.274 807 T C 1.068 175.859 174.700 0.151 0.000 1.011 807 T CA 0.594 62.750 62.100 0.093 0.000 0.899 807 T CB -0.196 68.726 68.868 0.090 0.000 1.089 807 T HN 0.469 nan 8.240 nan 0.000 0.543 808 S N 0.230 116.041 115.700 0.184 0.000 2.593 808 S HA 0.261 4.726 4.470 -0.008 0.000 0.217 808 S C 2.160 176.887 174.600 0.212 0.000 0.966 808 S CA 0.175 58.563 58.200 0.315 0.000 0.914 808 S CB -0.555 62.806 63.200 0.268 0.000 0.776 808 S HN 0.526 nan 8.310 nan 0.000 0.523 809 G N 2.780 111.627 108.800 0.077 0.000 2.469 809 G HA2 -0.288 3.667 3.960 -0.008 0.000 0.220 809 G HA3 -0.288 3.667 3.960 -0.008 0.000 0.220 809 G C 1.314 176.158 174.900 -0.092 0.000 1.136 809 G CA 1.011 46.123 45.100 0.019 0.000 0.759 809 G HN 0.602 nan 8.290 nan 0.000 0.562 810 K N -0.110 120.109 120.400 -0.302 0.000 2.281 810 K HA -0.033 4.282 4.320 -0.008 0.000 0.203 810 K C 1.130 177.371 176.600 -0.599 0.000 1.046 810 K CA 0.699 56.664 56.287 -0.536 0.000 0.938 810 K CB -0.263 31.743 32.500 -0.823 0.000 0.737 810 K HN 0.409 nan 8.250 nan 0.000 0.458 811 F N 0.951 120.930 119.950 0.048 0.000 2.663 811 F HA 0.134 4.655 4.527 -0.009 0.000 0.299 811 F C 0.701 176.545 175.800 0.073 0.000 1.143 811 F CA -0.573 57.462 58.000 0.058 0.000 1.387 811 F CB 0.360 39.389 39.000 0.050 0.000 1.019 811 F HN -0.124 nan 8.300 nan 0.000 0.523 812 S N 0.288 116.063 115.700 0.125 0.000 2.523 812 S HA 0.105 4.570 4.470 -0.008 0.000 0.275 812 S C 1.404 176.081 174.600 0.129 0.000 1.281 812 S CA -0.314 57.961 58.200 0.124 0.000 1.050 812 S CB 0.854 64.098 63.200 0.073 0.000 0.937 812 S HN 0.346 nan 8.310 nan 0.000 0.492 813 S N 3.376 119.180 115.700 0.172 0.000 2.500 813 S HA -0.092 4.373 4.470 -0.008 0.000 0.239 813 S C 0.924 175.576 174.600 0.087 0.000 0.989 813 S CA 0.782 59.106 58.200 0.206 0.000 0.951 813 S CB -0.345 63.049 63.200 0.323 0.000 0.759 813 S HN 0.789 nan 8.310 nan 0.000 0.523 814 D N 1.829 122.265 120.400 0.060 0.000 2.117 814 D HA -0.063 4.572 4.640 -0.008 0.000 0.198 814 D C 2.133 178.435 176.300 0.004 0.000 0.982 814 D CA 0.741 54.754 54.000 0.021 0.000 0.828 814 D CB -0.316 40.495 40.800 0.018 0.000 0.967 814 D HN 0.290 nan 8.370 nan 0.000 0.464 815 R N 0.925 121.430 120.500 0.008 0.000 2.066 815 R HA -0.090 4.245 4.340 -0.008 0.000 0.232 815 R C 1.883 178.175 176.300 -0.013 0.000 1.131 815 R CA 1.467 57.559 56.100 -0.014 0.000 0.955 815 R CB -0.881 29.398 30.300 -0.035 0.000 0.851 815 R HN 0.105 nan 8.270 nan 0.000 0.432 816 T N 2.396 116.964 114.554 0.024 0.000 2.635 816 T HA -0.150 4.195 4.350 -0.008 0.000 0.267 816 T C 1.942 176.647 174.700 0.008 0.000 1.040 816 T CA 1.571 63.707 62.100 0.060 0.000 1.156 816 T CB -0.168 68.809 68.868 0.182 0.000 0.863 816 T HN 0.115 nan 8.240 nan 0.000 0.430 817 I N 1.657 122.148 120.570 -0.132 0.000 2.286 817 I HA -0.091 4.074 4.170 -0.008 0.000 0.248 817 I C 2.907 178.974 176.117 -0.083 0.000 1.115 817 I CA 0.950 62.130 61.300 -0.200 0.000 1.392 817 I CB -1.649 36.234 38.000 -0.195 0.000 1.065 817 I HN 0.207 nan 8.210 nan 0.000 0.418 818 A N 0.096 122.888 122.820 -0.046 0.000 1.972 818 A HA -0.221 4.094 4.320 -0.008 0.000 0.219 818 A C 2.239 179.782 177.584 -0.069 0.000 1.169 818 A CA 1.329 53.348 52.037 -0.031 0.000 0.635 818 A CB -0.482 18.506 19.000 -0.020 0.000 0.810 818 A HN 0.522 nan 8.150 nan 0.000 0.446 819 Q N -1.960 117.782 119.800 -0.097 0.000 2.096 819 Q HA -0.127 4.208 4.340 -0.008 0.000 0.197 819 Q C 1.883 177.721 176.000 -0.271 0.000 0.964 819 Q CA 1.431 57.138 55.803 -0.159 0.000 0.838 819 Q CB -0.270 28.365 28.738 -0.171 0.000 0.906 819 Q HN 0.816 nan 8.270 nan 0.000 0.444 820 Y N 0.751 120.762 120.300 -0.481 0.000 2.145 820 Y HA -0.275 4.270 4.550 -0.008 0.000 0.286 820 Y C 2.498 177.824 175.900 -0.956 0.000 1.145 820 Y CA 1.303 58.867 58.100 -0.892 0.000 1.148 820 Y CB -0.399 37.225 38.460 -1.394 0.000 0.981 820 Y HN 0.152 nan 8.280 nan 0.000 0.507 821 A N 0.284 122.864 122.820 -0.400 0.000 1.883 821 A HA -0.246 4.069 4.320 -0.008 0.000 0.217 821 A C 2.209 179.803 177.584 0.016 0.000 1.186 821 A CA 2.196 54.245 52.037 0.020 0.000 0.624 821 A CB -0.579 18.515 19.000 0.157 0.000 0.822 821 A HN 0.445 nan 8.150 nan 0.000 0.444 822 R N -0.677 119.796 120.500 -0.046 0.000 2.093 822 R HA -0.001 4.334 4.340 -0.008 0.000 0.224 822 R C 1.765 178.040 176.300 -0.042 0.000 1.101 822 R CA 1.400 57.486 56.100 -0.024 0.000 0.979 822 R CB -0.148 30.135 30.300 -0.029 0.000 0.877 822 R HN 0.654 nan 8.270 nan 0.000 0.441 823 E N -0.479 119.657 120.200 -0.107 0.000 2.452 823 E HA 0.099 4.444 4.350 -0.008 0.000 0.197 823 E C 1.242 177.790 176.600 -0.087 0.000 1.022 823 E CA 0.441 56.782 56.400 -0.098 0.000 0.890 823 E CB 0.575 30.192 29.700 -0.140 0.000 0.918 823 E HN 0.325 nan 8.360 nan 0.000 0.496 824 I N -1.335 119.153 120.570 -0.138 0.000 4.046 824 I HA 0.031 4.196 4.170 -0.008 0.000 0.285 824 I C 1.178 177.422 176.117 0.212 0.000 1.183 824 I CA -0.072 61.201 61.300 -0.045 0.000 1.337 824 I CB 0.314 38.134 38.000 -0.300 0.000 1.478 824 I HN 0.116 nan 8.210 nan 0.000 0.452 825 W N 1.598 122.991 121.300 0.156 0.000 2.737 825 W HA 0.358 5.013 4.660 -0.008 0.000 0.262 825 W C 1.445 178.003 176.519 0.064 0.000 1.282 825 W CA 0.747 58.166 57.345 0.123 0.000 1.386 825 W CB -0.980 28.541 29.460 0.101 0.000 1.099 825 W HN 0.296 nan 8.180 nan 0.000 0.621 826 G N 1.386 110.322 108.800 0.226 0.000 2.289 826 G HA2 -0.088 3.867 3.960 -0.008 0.000 0.280 826 G HA3 -0.088 3.867 3.960 -0.008 0.000 0.280 826 G C -0.379 174.594 174.900 0.122 0.000 1.089 826 G CA 0.235 45.411 45.100 0.128 0.000 0.939 826 G HN 0.430 nan 8.290 nan 0.000 0.499 827 V N -4.151 115.852 119.914 0.149 0.000 2.925 827 V HA 0.879 4.994 4.120 -0.008 0.000 0.311 827 V C -0.314 175.838 176.094 0.098 0.000 1.104 827 V CA -1.709 60.661 62.300 0.116 0.000 0.954 827 V CB 2.336 34.239 31.823 0.133 0.000 1.022 827 V HN 0.149 nan 8.190 nan 0.000 0.427 828 E N 4.346 124.586 120.200 0.067 0.000 2.200 828 E HA 0.498 4.843 4.350 -0.008 0.000 0.283 828 E C -2.440 174.195 176.600 0.059 0.000 1.015 828 E CA -1.625 54.808 56.400 0.055 0.000 0.819 828 E CB 1.940 31.665 29.700 0.041 0.000 1.081 828 E HN 0.769 nan 8.360 nan 0.000 0.397 829 P HA 0.117 nan 4.420 nan 0.000 0.274 829 P C -0.676 176.654 177.300 0.049 0.000 1.231 829 P CA -0.358 62.775 63.100 0.056 0.000 0.790 829 P CB 0.946 32.675 31.700 0.049 0.000 0.951 830 S N 1.043 116.775 115.700 0.054 0.000 2.546 830 S HA 0.455 4.920 4.470 -0.008 0.000 0.274 830 S C 0.320 174.949 174.600 0.048 0.000 1.121 830 S CA -0.900 57.331 58.200 0.051 0.000 0.887 830 S CB 2.176 65.413 63.200 0.062 0.000 1.094 830 S HN 0.307 nan 8.310 nan 0.000 0.474 831 R N 0.601 121.124 120.500 0.039 0.000 2.432 831 R HA 0.217 4.552 4.340 -0.008 0.000 0.260 831 R C -0.204 176.111 176.300 0.026 0.000 0.935 831 R CA -0.151 55.970 56.100 0.035 0.000 1.080 831 R CB 0.146 30.466 30.300 0.033 0.000 1.155 831 R HN 0.677 nan 8.270 nan 0.000 0.531 832 Q N 1.606 121.422 119.800 0.027 0.000 2.247 832 Q HA 0.005 4.340 4.340 -0.008 0.000 0.288 832 Q C 0.029 176.029 176.000 -0.000 0.000 1.079 832 Q CA 0.425 56.237 55.803 0.015 0.000 0.932 832 Q CB 0.473 29.225 28.738 0.024 0.000 1.133 832 Q HN -0.231 nan 8.270 nan 0.000 0.377 833 R N 1.396 121.886 120.500 -0.016 0.000 2.590 833 R HA 0.164 4.499 4.340 -0.008 0.000 0.274 833 R C -0.181 176.086 176.300 -0.055 0.000 1.061 833 R CA -0.340 55.738 56.100 -0.036 0.000 1.081 833 R CB 0.037 30.312 30.300 -0.042 0.000 0.984 833 R HN 0.423 nan 8.270 nan 0.000 0.448 834 L N 5.462 126.639 121.223 -0.076 0.000 2.357 834 L HA 0.457 4.792 4.340 -0.008 0.000 0.273 834 L C -1.970 174.841 176.870 -0.099 0.000 1.080 834 L CA -1.982 52.784 54.840 -0.123 0.000 0.803 834 L CB 0.891 42.858 42.059 -0.152 0.000 1.174 834 L HN 0.584 nan 8.230 nan 0.000 0.443 835 P HA 0.059 nan 4.420 nan 0.000 0.264 835 P C -0.884 176.382 177.300 -0.057 0.000 1.183 835 P CA -0.117 62.942 63.100 -0.069 0.000 0.763 835 P CB 0.450 32.111 31.700 -0.067 0.000 0.807 836 A N 0.000 122.796 122.820 -0.040 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.008 0.000 0.244 836 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 836 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486