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 3mta_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.984 176.000 -0.027 0.000 1.003 12 Q CA 0.000 55.775 55.803 -0.047 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.058 0.000 1.108 13 I N -0.665 119.894 120.570 -0.019 0.000 2.607 13 I HA 0.560 4.720 4.170 -0.017 0.000 0.305 13 I C 0.929 177.045 176.117 -0.001 0.000 0.995 13 I CA -0.208 61.088 61.300 -0.006 0.000 1.148 13 I CB 1.950 39.950 38.000 0.000 0.000 1.323 13 I HN 0.237 nan 8.210 nan 0.000 0.461 14 S N 3.154 118.859 115.700 0.008 0.000 2.348 14 S HA -0.152 4.307 4.470 -0.017 0.000 0.221 14 S C 1.765 176.373 174.600 0.012 0.000 1.033 14 S CA 1.962 60.168 58.200 0.010 0.000 1.010 14 S CB -0.591 62.621 63.200 0.019 0.000 0.891 14 S HN 0.786 nan 8.310 nan 0.000 0.442 15 V N 0.176 120.104 119.914 0.022 0.000 3.026 15 V HA 0.087 4.196 4.120 -0.017 0.000 0.265 15 V C 1.897 178.002 176.094 0.018 0.000 1.121 15 V CA 1.415 63.730 62.300 0.025 0.000 1.142 15 V CB -1.117 30.726 31.823 0.035 0.000 0.730 15 V HN 0.392 nan 8.190 nan 0.000 0.503 16 R N 1.326 121.828 120.500 0.005 0.000 2.320 16 R HA 0.429 4.758 4.340 -0.017 0.000 0.211 16 R C 1.155 177.444 176.300 -0.018 0.000 0.931 16 R CA 0.542 56.639 56.100 -0.006 0.000 1.071 16 R CB -0.113 30.180 30.300 -0.011 0.000 1.025 16 R HN 0.768 nan 8.270 nan 0.000 0.495 17 G N 0.756 109.545 108.800 -0.018 0.000 2.757 17 G HA2 -0.224 3.726 3.960 -0.017 0.000 0.638 17 G HA3 -0.224 3.726 3.960 -0.017 0.000 0.638 17 G C -0.808 174.076 174.900 -0.027 0.000 1.344 17 G CA -1.074 44.008 45.100 -0.031 0.000 0.855 17 G HN -0.017 nan 8.290 nan 0.000 0.537 18 L N 0.463 121.668 121.223 -0.030 0.000 2.371 18 L HA 0.611 4.940 4.340 -0.017 0.000 0.272 18 L C 1.310 178.166 176.870 -0.023 0.000 1.124 18 L CA 0.627 55.453 54.840 -0.023 0.000 0.816 18 L CB 1.040 43.086 42.059 -0.021 0.000 1.129 18 L HN 1.515 nan 8.230 nan 0.000 0.448 19 A N 2.856 125.666 122.820 -0.016 0.000 3.056 19 A HA 0.575 4.884 4.320 -0.017 0.000 0.328 19 A C 0.685 178.266 177.584 -0.005 0.000 1.233 19 A CA -0.314 51.717 52.037 -0.011 0.000 0.965 19 A CB -0.319 18.675 19.000 -0.011 0.000 1.123 19 A HN 0.796 nan 8.150 nan 0.000 0.502 20 G N -0.521 108.277 108.800 -0.004 0.000 2.636 20 G HA2 0.329 4.279 3.960 -0.017 0.000 0.246 20 G HA3 0.329 4.279 3.960 -0.017 0.000 0.246 20 G C 1.080 175.984 174.900 0.007 0.000 1.216 20 G CA 0.283 45.383 45.100 0.001 0.000 0.854 20 G HN 0.750 nan 8.290 nan 0.000 0.572 21 V N 0.551 120.470 119.914 0.009 0.000 2.307 21 V HA -0.094 4.016 4.120 -0.017 0.000 0.245 21 V C 2.581 178.685 176.094 0.017 0.000 1.045 21 V CA 2.664 64.972 62.300 0.012 0.000 1.024 21 V CB -0.414 31.416 31.823 0.010 0.000 0.651 21 V HN 0.853 nan 8.190 nan 0.000 0.449 22 E N 0.065 120.276 120.200 0.018 0.000 2.150 22 E HA -0.158 4.182 4.350 -0.017 0.000 0.193 22 E C 2.018 178.639 176.600 0.034 0.000 0.985 22 E CA 1.405 57.820 56.400 0.024 0.000 0.814 22 E CB -0.157 29.556 29.700 0.022 0.000 0.752 22 E HN 0.617 nan 8.360 nan 0.000 0.466 23 N N -0.563 118.156 118.700 0.031 0.000 2.080 23 N HA -0.128 4.601 4.740 -0.017 0.000 0.189 23 N C 1.659 177.196 175.510 0.044 0.000 1.036 23 N CA 1.086 54.159 53.050 0.038 0.000 0.846 23 N CB -0.316 38.180 38.487 0.014 0.000 1.015 23 N HN -0.021 nan 8.380 nan 0.000 0.423 24 V N 0.496 120.427 119.914 0.029 0.000 2.332 24 V HA -0.241 3.869 4.120 -0.017 0.000 0.248 24 V C 2.070 178.186 176.094 0.036 0.000 1.055 24 V CA 1.941 64.257 62.300 0.028 0.000 1.038 24 V CB -0.975 30.859 31.823 0.019 0.000 0.651 24 V HN 0.402 nan 8.190 nan 0.000 0.450 25 T N -0.758 113.817 114.554 0.034 0.000 2.746 25 T HA -0.219 4.121 4.350 -0.017 0.000 0.267 25 T C 1.931 176.663 174.700 0.054 0.000 1.039 25 T CA 1.768 63.890 62.100 0.036 0.000 1.142 25 T CB -0.203 68.682 68.868 0.028 0.000 0.866 25 T HN 0.430 nan 8.240 nan 0.000 0.444 26 E N 0.837 121.077 120.200 0.066 0.000 2.072 26 E HA 0.014 4.354 4.350 -0.017 0.000 0.191 26 E C 2.074 178.748 176.600 0.124 0.000 0.985 26 E CA 0.745 57.197 56.400 0.086 0.000 0.801 26 E CB -0.443 29.312 29.700 0.093 0.000 0.750 26 E HN 0.428 nan 8.360 nan 0.000 0.452 27 L N 0.078 121.383 121.223 0.137 0.000 2.046 27 L HA -0.196 4.134 4.340 -0.017 0.000 0.208 27 L C 2.365 179.342 176.870 0.178 0.000 1.077 27 L CA 1.361 56.308 54.840 0.178 0.000 0.747 27 L CB -0.330 41.812 42.059 0.137 0.000 0.896 27 L HN 0.064 nan 8.230 nan 0.000 0.432 28 K N 0.502 120.966 120.400 0.107 0.000 2.057 28 K HA -0.202 4.107 4.320 -0.017 0.000 0.207 28 K C 2.163 178.858 176.600 0.158 0.000 1.049 28 K CA 1.709 58.048 56.287 0.087 0.000 0.931 28 K CB -0.070 32.443 32.500 0.022 0.000 0.714 28 K HN 0.358 nan 8.250 nan 0.000 0.440 29 K N 0.215 120.691 120.400 0.126 0.000 2.103 29 K HA -0.065 4.245 4.320 -0.017 0.000 0.204 29 K C 1.499 178.183 176.600 0.140 0.000 1.052 29 K CA 1.315 57.672 56.287 0.116 0.000 0.945 29 K CB -0.124 32.420 32.500 0.073 0.000 0.722 29 K HN 0.024 nan 8.250 nan 0.000 0.443 30 N N 0.566 119.362 118.700 0.159 0.000 2.270 30 N HA -0.108 4.622 4.740 -0.017 0.000 0.181 30 N C 1.622 177.280 175.510 0.246 0.000 1.016 30 N CA 0.899 54.038 53.050 0.149 0.000 0.870 30 N CB -0.280 38.301 38.487 0.157 0.000 0.979 30 N HN 0.207 nan 8.380 nan 0.000 0.431 31 F N 2.558 122.605 119.950 0.162 0.000 2.095 31 F HA -0.130 4.387 4.527 -0.017 0.000 0.298 31 F C 1.997 177.896 175.800 0.167 0.000 1.104 31 F CA 1.343 59.453 58.000 0.183 0.000 1.232 31 F CB -0.098 38.983 39.000 0.135 0.000 0.987 31 F HN -0.017 nan 8.300 nan 0.000 0.475 32 N N 0.299 119.217 118.700 0.363 0.000 2.270 32 N HA -0.144 4.585 4.740 -0.017 0.000 0.181 32 N C 1.990 177.571 175.510 0.118 0.000 1.016 32 N CA 0.904 54.093 53.050 0.231 0.000 0.870 32 N CB -0.490 38.114 38.487 0.196 0.000 0.979 32 N HN 0.370 nan 8.380 nan 0.000 0.431 33 R N 0.312 120.884 120.500 0.121 0.000 2.073 33 R HA -0.104 4.226 4.340 -0.017 0.000 0.234 33 R C 1.782 178.162 176.300 0.134 0.000 1.134 33 R CA 1.516 57.715 56.100 0.164 0.000 0.952 33 R CB -0.194 30.150 30.300 0.073 0.000 0.850 33 R HN 0.373 nan 8.270 nan 0.000 0.433 34 H N -0.491 118.619 119.070 0.065 0.000 2.357 34 H HA -0.119 4.427 4.556 -0.017 0.000 0.301 34 H C 1.891 177.139 175.328 -0.135 0.000 1.082 34 H CA 1.407 57.422 56.048 -0.055 0.000 1.342 34 H CB 0.070 29.756 29.762 -0.128 0.000 1.389 34 H HN 0.122 nan 8.280 nan 0.000 0.511 35 L N 0.017 121.208 121.223 -0.054 0.000 2.079 35 L HA -0.205 4.125 4.340 -0.017 0.000 0.210 35 L C 2.187 179.027 176.870 -0.050 0.000 1.081 35 L CA 1.896 56.679 54.840 -0.095 0.000 0.752 35 L CB -0.450 41.567 42.059 -0.070 0.000 0.896 35 L HN 0.312 nan 8.230 nan 0.000 0.433 36 H N -1.822 117.162 119.070 -0.143 0.000 2.276 36 H HA -0.063 4.483 4.556 -0.017 0.000 0.307 36 H C 1.831 176.981 175.328 -0.296 0.000 1.061 36 H CA 2.210 58.090 56.048 -0.280 0.000 1.336 36 H CB -0.295 29.194 29.762 -0.456 0.000 1.396 36 H HN 0.269 nan 8.280 nan 0.000 0.503 37 F N -0.270 119.666 119.950 -0.023 0.000 2.234 37 F HA -0.042 4.475 4.527 -0.018 0.000 0.296 37 F C 2.581 178.311 175.800 -0.117 0.000 1.089 37 F CA 1.485 59.431 58.000 -0.090 0.000 1.343 37 F CB -0.407 38.575 39.000 -0.030 0.000 1.040 37 F HN 0.201 nan 8.300 nan 0.000 0.498 38 T N -0.357 114.236 114.554 0.064 0.000 2.983 38 T HA 0.098 4.438 4.350 -0.017 0.000 0.250 38 T C 1.926 176.530 174.700 -0.160 0.000 1.037 38 T CA 0.758 62.823 62.100 -0.058 0.000 1.142 38 T CB -0.219 68.582 68.868 -0.111 0.000 0.876 38 T HN 0.103 nan 8.240 nan 0.000 0.455 39 L N 1.168 122.291 121.223 -0.168 0.000 2.529 39 L HA 0.219 4.549 4.340 -0.017 0.000 0.223 39 L C 0.337 177.109 176.870 -0.162 0.000 1.113 39 L CA -0.106 54.624 54.840 -0.184 0.000 0.861 39 L CB 0.014 41.964 42.059 -0.180 0.000 1.012 39 L HN -0.030 nan 8.230 nan 0.000 0.461 40 V N 0.549 120.354 119.914 -0.183 0.000 5.949 40 V HA -0.299 3.811 4.120 -0.017 0.000 0.287 40 V C 0.008 175.995 176.094 -0.178 0.000 0.603 40 V CA 1.150 63.319 62.300 -0.219 0.000 0.608 40 V CB -2.403 29.318 31.823 -0.171 0.000 0.259 40 V HN 0.473 nan 8.190 nan 0.000 0.742 41 K N 0.540 120.844 120.400 -0.161 0.000 2.480 41 K HA 0.726 5.036 4.320 -0.017 0.000 0.258 41 K C -0.469 176.105 176.600 -0.045 0.000 0.990 41 K CA -0.538 55.687 56.287 -0.102 0.000 0.857 41 K CB 2.672 35.109 32.500 -0.105 0.000 1.384 41 K HN 0.485 nan 8.250 nan 0.000 0.446 42 D N -0.970 119.425 120.400 -0.008 0.000 2.414 42 D HA 0.277 4.906 4.640 -0.017 0.000 0.241 42 D C 0.586 176.924 176.300 0.062 0.000 1.008 42 D CA -0.779 53.248 54.000 0.046 0.000 1.001 42 D CB 0.937 41.763 40.800 0.043 0.000 1.277 42 D HN 0.115 nan 8.370 nan 0.000 0.538 43 R N 0.113 120.680 120.500 0.111 0.000 2.341 43 R HA 0.007 4.337 4.340 -0.017 0.000 0.213 43 R C 0.331 176.711 176.300 0.132 0.000 1.082 43 R CA 0.405 56.611 56.100 0.177 0.000 1.017 43 R CB -0.670 29.736 30.300 0.177 0.000 0.860 43 R HN 0.508 nan 8.270 nan 0.000 0.473 44 N N -0.155 118.587 118.700 0.072 0.000 2.356 44 N HA -0.046 4.684 4.740 -0.017 0.000 0.178 44 N C 1.572 177.100 175.510 0.030 0.000 1.075 44 N CA 0.790 53.871 53.050 0.052 0.000 0.889 44 N CB 0.585 39.093 38.487 0.034 0.000 0.999 44 N HN 0.174 nan 8.380 nan 0.000 0.464 45 V N -2.545 117.374 119.914 0.008 0.000 3.635 45 V HA 0.493 4.603 4.120 -0.017 0.000 0.266 45 V C 0.996 177.053 176.094 -0.060 0.000 1.316 45 V CA -0.389 61.900 62.300 -0.019 0.000 1.060 45 V CB -0.445 31.362 31.823 -0.026 0.000 0.820 45 V HN 0.032 nan 8.190 nan 0.000 0.447 46 A N 2.526 125.280 122.820 -0.109 0.000 2.511 46 A HA 0.520 4.830 4.320 -0.017 0.000 0.242 46 A C 0.756 178.155 177.584 -0.308 0.000 1.069 46 A CA 0.863 52.721 52.037 -0.299 0.000 0.763 46 A CB -0.305 18.359 19.000 -0.560 0.000 1.001 46 A HN 0.830 nan 8.150 nan 0.000 0.498 47 T N 0.268 114.654 114.554 -0.280 0.000 2.936 47 T HA 0.569 4.908 4.350 -0.017 0.000 0.282 47 T C -2.068 172.539 174.700 -0.154 0.000 1.003 47 T CA -1.758 60.260 62.100 -0.137 0.000 1.005 47 T CB 1.145 69.987 68.868 -0.043 0.000 1.097 47 T HN 0.259 nan 8.240 nan 0.000 0.532 48 P HA -0.130 nan 4.420 nan 0.000 0.217 48 P C 1.602 179.004 177.300 0.169 0.000 1.151 48 P CA 1.043 64.280 63.100 0.228 0.000 0.849 48 P CB 0.041 31.839 31.700 0.163 0.000 0.787 49 R N 0.040 120.584 120.500 0.074 0.000 2.081 49 R HA -0.144 4.185 4.340 -0.017 0.000 0.235 49 R C 1.741 178.184 176.300 0.238 0.000 1.131 49 R CA 1.872 58.038 56.100 0.111 0.000 0.960 49 R CB -0.729 29.584 30.300 0.022 0.000 0.856 49 R HN 0.106 nan 8.270 nan 0.000 0.436 50 D N -0.363 120.087 120.400 0.083 0.000 2.123 50 D HA -0.204 4.426 4.640 -0.017 0.000 0.196 50 D C 1.755 178.078 176.300 0.038 0.000 0.992 50 D CA 1.355 55.365 54.000 0.016 0.000 0.833 50 D CB -0.307 40.362 40.800 -0.217 0.000 0.954 50 D HN 0.310 nan 8.370 nan 0.000 0.455 51 Y N 0.196 120.592 120.300 0.160 0.000 2.181 51 Y HA -0.213 4.327 4.550 -0.017 0.000 0.288 51 Y C 2.355 178.391 175.900 0.225 0.000 1.146 51 Y CA 0.325 58.566 58.100 0.234 0.000 1.164 51 Y CB -1.223 37.425 38.460 0.313 0.000 0.982 51 Y HN 0.083 nan 8.280 nan 0.000 0.515 52 Y N -0.404 120.028 120.300 0.221 0.000 2.128 52 Y HA -0.309 4.230 4.550 -0.018 0.000 0.284 52 Y C 2.038 177.927 175.900 -0.018 0.000 1.154 52 Y CA 1.403 59.533 58.100 0.050 0.000 1.149 52 Y CB -1.180 37.194 38.460 -0.143 0.000 0.976 52 Y HN 0.063 nan 8.280 nan 0.000 0.505 53 F N 0.132 119.887 119.950 -0.325 0.000 2.134 53 F HA -0.159 4.358 4.527 -0.017 0.000 0.299 53 F C 2.666 178.296 175.800 -0.283 0.000 1.097 53 F CA 1.179 58.930 58.000 -0.416 0.000 1.264 53 F CB -0.781 38.111 39.000 -0.179 0.000 1.001 53 F HN 0.208 nan 8.300 nan 0.000 0.479 54 A N -0.048 122.700 122.820 -0.120 0.000 1.908 54 A HA -0.205 4.104 4.320 -0.017 0.000 0.218 54 A C 2.052 179.510 177.584 -0.211 0.000 1.181 54 A CA 1.635 53.465 52.037 -0.345 0.000 0.627 54 A CB -1.046 17.422 19.000 -0.887 0.000 0.818 54 A HN 0.339 nan 8.150 nan 0.000 0.445 55 L N -0.182 121.047 121.223 0.010 0.000 1.994 55 L HA -0.079 4.250 4.340 -0.017 0.000 0.208 55 L C 2.749 179.649 176.870 0.050 0.000 1.071 55 L CA 2.282 57.261 54.840 0.232 0.000 0.745 55 L CB -1.072 41.189 42.059 0.338 0.000 0.892 55 L HN 0.369 nan 8.230 nan 0.000 0.431 56 A N -1.264 121.444 122.820 -0.188 0.000 1.892 56 A HA -0.317 3.992 4.320 -0.017 0.000 0.218 56 A C 2.171 179.508 177.584 -0.410 0.000 1.188 56 A CA 2.182 54.024 52.037 -0.325 0.000 0.631 56 A CB -1.163 17.372 19.000 -0.775 0.000 0.822 56 A HN 0.682 nan 8.150 nan 0.000 0.447 57 H N -0.720 118.075 119.070 -0.458 0.000 2.387 57 H HA -0.061 4.484 4.556 -0.017 0.000 0.299 57 H C 2.351 177.453 175.328 -0.377 0.000 1.090 57 H CA 2.031 57.724 56.048 -0.593 0.000 1.332 57 H CB -0.331 28.794 29.762 -1.062 0.000 1.386 57 H HN 0.477 nan 8.280 nan 0.000 0.516 58 T N -0.386 114.165 114.554 -0.005 0.000 2.746 58 T HA -0.120 4.220 4.350 -0.017 0.000 0.267 58 T C 2.252 177.125 174.700 0.289 0.000 1.039 58 T CA 1.308 63.558 62.100 0.250 0.000 1.142 58 T CB -0.355 68.722 68.868 0.348 0.000 0.866 58 T HN 0.097 nan 8.240 nan 0.000 0.444 59 V N 2.527 122.588 119.914 0.246 0.000 2.323 59 V HA -0.170 3.940 4.120 -0.017 0.000 0.244 59 V C 2.582 178.864 176.094 0.313 0.000 1.041 59 V CA 1.961 64.453 62.300 0.321 0.000 1.025 59 V CB -0.635 31.363 31.823 0.291 0.000 0.656 59 V HN 0.523 nan 8.190 nan 0.000 0.451 60 R N 0.603 121.217 120.500 0.189 0.000 2.148 60 R HA -0.129 4.200 4.340 -0.017 0.000 0.227 60 R C 1.628 178.000 176.300 0.120 0.000 1.103 60 R CA 1.790 57.992 56.100 0.170 0.000 0.983 60 R CB -0.820 29.455 30.300 -0.042 0.000 0.874 60 R HN 0.342 nan 8.270 nan 0.000 0.451 61 D N 0.878 121.329 120.400 0.085 0.000 2.158 61 D HA -0.166 4.464 4.640 -0.017 0.000 0.197 61 D C 1.536 177.822 176.300 -0.023 0.000 0.995 61 D CA 1.204 55.223 54.000 0.031 0.000 0.846 61 D CB -0.306 40.498 40.800 0.008 0.000 0.941 61 D HN 0.488 nan 8.370 nan 0.000 0.456 62 H N -0.353 118.773 119.070 0.093 0.000 2.521 62 H HA 0.035 4.581 4.556 -0.017 0.000 0.286 62 H C 2.158 177.521 175.328 0.059 0.000 1.034 62 H CA 0.383 56.472 56.048 0.069 0.000 1.278 62 H CB 0.280 30.076 29.762 0.057 0.000 1.386 62 H HN 0.217 nan 8.280 nan 0.000 0.567 63 L N 0.584 121.907 121.223 0.167 0.000 2.270 63 L HA -0.094 4.236 4.340 -0.017 0.000 0.210 63 L C 2.765 179.738 176.870 0.171 0.000 1.104 63 L CA 0.333 55.241 54.840 0.114 0.000 0.804 63 L CB -0.202 41.888 42.059 0.051 0.000 0.937 63 L HN 0.104 nan 8.230 nan 0.000 0.450 64 V N -2.009 118.014 119.914 0.182 0.000 2.287 64 V HA -0.157 3.953 4.120 -0.017 0.000 0.248 64 V C 2.310 178.505 176.094 0.169 0.000 1.053 64 V CA 2.114 64.546 62.300 0.220 0.000 1.027 64 V CB -1.723 30.186 31.823 0.143 0.000 0.646 64 V HN 0.354 nan 8.190 nan 0.000 0.447 65 G N 0.177 109.038 108.800 0.103 0.000 2.421 65 G HA2 -0.228 3.722 3.960 -0.017 0.000 0.216 65 G HA3 -0.228 3.722 3.960 -0.017 0.000 0.216 65 G C 1.741 176.686 174.900 0.074 0.000 1.171 65 G CA 0.956 46.096 45.100 0.066 0.000 0.775 65 G HN 0.542 nan 8.290 nan 0.000 0.543 66 R N -1.370 119.180 120.500 0.085 0.000 2.091 66 R HA -0.100 4.230 4.340 -0.017 0.000 0.238 66 R C 2.264 178.643 176.300 0.131 0.000 1.136 66 R CA 1.316 57.456 56.100 0.065 0.000 0.959 66 R CB -0.369 29.953 30.300 0.037 0.000 0.856 66 R HN 0.485 nan 8.270 nan 0.000 0.437 67 W N 1.445 122.723 121.300 -0.038 0.000 2.355 67 W HA -0.053 4.596 4.660 -0.017 0.000 0.309 67 W C 1.750 178.239 176.519 -0.050 0.000 1.206 67 W CA 0.879 58.198 57.345 -0.043 0.000 1.284 67 W CB -0.617 28.835 29.460 -0.015 0.000 1.145 67 W HN -0.035 nan 8.180 nan 0.000 0.502 68 I N 1.023 121.643 120.570 0.084 0.000 2.208 68 I HA -0.353 3.807 4.170 -0.017 0.000 0.245 68 I C 2.624 178.722 176.117 -0.032 0.000 1.097 68 I CA 2.043 63.313 61.300 -0.050 0.000 1.363 68 I CB -0.605 37.372 38.000 -0.039 0.000 1.051 68 I HN 0.018 nan 8.210 nan 0.000 0.413 69 R N 0.209 120.706 120.500 -0.004 0.000 2.127 69 R HA -0.008 4.322 4.340 -0.017 0.000 0.217 69 R C 1.994 178.258 176.300 -0.061 0.000 1.074 69 R CA 1.326 57.415 56.100 -0.018 0.000 0.991 69 R CB -1.153 29.140 30.300 -0.011 0.000 0.895 69 R HN 0.132 nan 8.270 nan 0.000 0.450 70 T N 1.782 116.277 114.554 -0.100 0.000 2.635 70 T HA -0.144 4.195 4.350 -0.017 0.000 0.267 70 T C 1.838 176.278 174.700 -0.434 0.000 1.040 70 T CA 1.600 63.530 62.100 -0.284 0.000 1.156 70 T CB -0.168 68.585 68.868 -0.192 0.000 0.863 70 T HN 0.247 nan 8.240 nan 0.000 0.430 71 Q N 0.641 120.334 119.800 -0.178 0.000 2.119 71 Q HA -0.079 4.251 4.340 -0.017 0.000 0.201 71 Q C 2.364 178.371 176.000 0.013 0.000 0.972 71 Q CA 1.284 57.052 55.803 -0.058 0.000 0.847 71 Q CB -0.512 28.207 28.738 -0.032 0.000 0.903 71 Q HN 0.527 nan 8.270 nan 0.000 0.433 72 Q N 0.132 119.927 119.800 -0.008 0.000 2.050 72 Q HA -0.205 4.125 4.340 -0.017 0.000 0.202 72 Q C 1.942 178.014 176.000 0.121 0.000 0.980 72 Q CA 2.017 57.856 55.803 0.059 0.000 0.840 72 Q CB -0.372 28.384 28.738 0.031 0.000 0.898 72 Q HN 0.571 nan 8.270 nan 0.000 0.424 73 H N -1.246 117.788 119.070 -0.060 0.000 2.352 73 H HA -0.184 4.362 4.556 -0.017 0.000 0.299 73 H C 1.169 176.544 175.328 0.078 0.000 1.097 73 H CA 2.223 58.243 56.048 -0.046 0.000 1.311 73 H CB -0.205 29.462 29.762 -0.158 0.000 1.377 73 H HN 0.375 nan 8.280 nan 0.000 0.504 74 Y N -1.246 119.134 120.300 0.133 0.000 2.352 74 Y HA -0.160 4.379 4.550 -0.018 0.000 0.292 74 Y C 2.282 178.228 175.900 0.075 0.000 1.136 74 Y CA 0.931 59.078 58.100 0.079 0.000 1.227 74 Y CB -1.145 37.404 38.460 0.148 0.000 0.991 74 Y HN 0.385 nan 8.280 nan 0.000 0.545 75 Y N 1.133 121.512 120.300 0.133 0.000 2.220 75 Y HA -0.126 4.414 4.550 -0.018 0.000 0.291 75 Y C 2.063 177.966 175.900 0.004 0.000 1.129 75 Y CA 1.440 59.578 58.100 0.064 0.000 1.161 75 Y CB 0.016 38.504 38.460 0.047 0.000 0.997 75 Y HN -0.014 nan 8.280 nan 0.000 0.522 76 E N 0.674 120.867 120.200 -0.012 0.000 2.015 76 E HA -0.174 4.166 4.350 -0.017 0.000 0.191 76 E C 1.962 178.454 176.600 -0.179 0.000 0.991 76 E CA 1.451 57.778 56.400 -0.122 0.000 0.802 76 E CB -0.375 29.287 29.700 -0.064 0.000 0.759 76 E HN 0.477 nan 8.360 nan 0.000 0.447 77 K N 0.662 120.935 120.400 -0.211 0.000 2.366 77 K HA -0.077 4.232 4.320 -0.017 0.000 0.198 77 K C -0.059 176.477 176.600 -0.106 0.000 1.044 77 K CA 0.524 56.701 56.287 -0.184 0.000 0.973 77 K CB -0.039 32.291 32.500 -0.283 0.000 0.767 77 K HN 0.051 nan 8.250 nan 0.000 0.475 78 D N 1.021 121.371 120.400 -0.083 0.000 2.735 78 D HA -0.102 4.528 4.640 -0.017 0.000 0.235 78 D C -2.431 173.848 176.300 -0.035 0.000 1.175 78 D CA 0.018 53.981 54.000 -0.061 0.000 0.683 78 D CB -0.058 40.670 40.800 -0.119 0.000 1.008 78 D HN 0.160 nan 8.370 nan 0.000 0.416 79 P HA 0.127 nan 4.420 nan 0.000 0.278 79 P C -0.254 177.014 177.300 -0.054 0.000 1.266 79 P CA -0.659 62.420 63.100 -0.034 0.000 0.807 79 P CB 0.636 32.314 31.700 -0.038 0.000 1.094 80 K N 1.142 121.512 120.400 -0.050 0.000 2.447 80 K HA 0.024 4.333 4.320 -0.017 0.000 0.281 80 K C -0.070 176.450 176.600 -0.133 0.000 1.031 80 K CA 0.061 56.309 56.287 -0.065 0.000 1.019 80 K CB 0.147 32.626 32.500 -0.035 0.000 0.918 80 K HN 0.237 nan 8.250 nan 0.000 0.476 81 R N 3.870 124.275 120.500 -0.158 0.000 2.297 81 R HA 0.315 4.644 4.340 -0.017 0.000 0.308 81 R C -0.517 175.510 176.300 -0.455 0.000 1.029 81 R CA -0.440 55.481 56.100 -0.299 0.000 0.929 81 R CB 0.754 30.887 30.300 -0.279 0.000 1.046 81 R HN 0.500 nan 8.270 nan 0.000 0.461 82 I N 4.756 125.001 120.570 -0.541 0.000 2.321 82 I HA 0.208 4.368 4.170 -0.017 0.000 0.291 82 I C -0.599 175.195 176.117 -0.540 0.000 0.998 82 I CA -0.772 60.164 61.300 -0.607 0.000 1.227 82 I CB 0.793 38.322 38.000 -0.785 0.000 1.368 82 I HN 0.532 nan 8.210 nan 0.000 0.466 83 Y N 5.920 126.184 120.300 -0.060 0.000 2.356 83 Y HA 0.296 4.836 4.550 -0.017 0.000 0.334 83 Y C -0.298 175.699 175.900 0.161 0.000 0.958 83 Y CA -0.736 57.443 58.100 0.132 0.000 1.196 83 Y CB 1.157 39.645 38.460 0.047 0.000 1.137 83 Y HN 0.411 nan 8.280 nan 0.000 0.485 84 Y N 4.592 125.069 120.300 0.294 0.000 2.454 84 Y HA 0.502 5.042 4.550 -0.017 0.000 0.345 84 Y C -1.277 174.883 175.900 0.434 0.000 0.970 84 Y CA -0.934 57.349 58.100 0.306 0.000 1.204 84 Y CB 0.318 38.958 38.460 0.300 0.000 1.122 84 Y HN 0.538 nan 8.280 nan 0.000 0.514 85 L N 5.188 126.454 121.223 0.071 0.000 2.264 85 L HA 0.480 4.809 4.340 -0.017 0.000 0.289 85 L C -0.201 176.674 176.870 0.009 0.000 1.044 85 L CA 0.196 55.133 54.840 0.161 0.000 0.807 85 L CB 1.316 43.441 42.059 0.110 0.000 1.192 85 L HN 0.575 nan 8.230 nan 0.000 0.425 86 S N 2.399 118.181 115.700 0.135 0.000 2.541 86 S HA 0.535 4.994 4.470 -0.017 0.000 0.271 86 S C 0.219 174.877 174.600 0.098 0.000 1.133 86 S CA -0.504 57.666 58.200 -0.050 0.000 0.876 86 S CB 1.111 64.034 63.200 -0.463 0.000 1.105 86 S HN 0.479 nan 8.310 nan 0.000 0.470 87 L N 2.577 123.894 121.223 0.157 0.000 2.592 87 L HA 0.449 4.778 4.340 -0.017 0.000 0.227 87 L C 0.231 177.266 176.870 0.276 0.000 1.127 87 L CA 0.827 55.829 54.840 0.270 0.000 0.884 87 L CB 0.033 42.273 42.059 0.301 0.000 1.065 87 L HN 0.629 nan 8.230 nan 0.000 0.457 88 E N -1.001 119.227 120.200 0.046 0.000 2.263 88 E HA 0.396 4.735 4.350 -0.017 0.000 0.268 88 E C -1.380 175.069 176.600 -0.252 0.000 0.884 88 E CA -0.402 56.014 56.400 0.027 0.000 0.766 88 E CB 1.744 31.454 29.700 0.015 0.000 1.196 88 E HN -0.141 nan 8.360 nan 0.000 0.416 89 F N 2.331 122.385 119.950 0.174 0.000 2.610 89 F HA 0.184 4.700 4.527 -0.018 0.000 0.355 89 F C -0.765 175.117 175.800 0.137 0.000 1.140 89 F CA -0.813 57.277 58.000 0.150 0.000 1.037 89 F CB 0.936 40.015 39.000 0.131 0.000 1.287 89 F HN 0.490 nan 8.300 nan 0.000 0.457 90 Y N 5.317 125.691 120.300 0.124 0.000 2.632 90 Y HA 0.219 4.759 4.550 -0.017 0.000 0.336 90 Y C 0.928 176.845 175.900 0.027 0.000 1.237 90 Y CA -1.095 57.027 58.100 0.037 0.000 1.595 90 Y CB 0.334 38.798 38.460 0.006 0.000 1.508 90 Y HN 0.556 nan 8.280 nan 0.000 0.480 91 M N 1.557 121.294 119.600 0.228 0.000 2.236 91 M HA 0.116 4.585 4.480 -0.017 0.000 0.266 91 M C 1.585 177.858 176.300 -0.044 0.000 1.070 91 M CA 1.129 56.464 55.300 0.058 0.000 1.137 91 M CB -1.214 31.393 32.600 0.013 0.000 1.378 91 M HN 0.691 nan 8.290 nan 0.000 0.426 92 G N 1.137 109.926 108.800 -0.018 0.000 2.539 92 G HA2 -0.270 3.680 3.960 -0.017 0.000 0.256 92 G HA3 -0.270 3.680 3.960 -0.017 0.000 0.256 92 G C -0.260 174.591 174.900 -0.081 0.000 1.233 92 G CA -0.284 44.764 45.100 -0.086 0.000 0.936 92 G HN 0.434 nan 8.290 nan 0.000 0.571 93 R N -0.613 119.818 120.500 -0.116 0.000 2.531 93 R HA 0.575 4.905 4.340 -0.017 0.000 0.273 93 R C 1.032 177.202 176.300 -0.217 0.000 1.070 93 R CA 0.385 56.419 56.100 -0.110 0.000 1.112 93 R CB 0.735 30.979 30.300 -0.094 0.000 1.049 93 R HN 0.531 nan 8.270 nan 0.000 0.508 94 T N 1.124 115.488 114.554 -0.317 0.000 2.964 94 T HA -0.002 4.338 4.350 -0.017 0.000 0.249 94 T C 1.389 175.675 174.700 -0.691 0.000 1.000 94 T CA -0.181 61.529 62.100 -0.651 0.000 0.992 94 T CB 0.145 68.293 68.868 -1.201 0.000 1.087 94 T HN 0.314 nan 8.240 nan 0.000 0.489 95 L N 1.962 122.987 121.223 -0.329 0.000 1.970 95 L HA -0.023 4.307 4.340 -0.017 0.000 0.212 95 L C 2.457 179.281 176.870 -0.076 0.000 1.071 95 L CA 2.021 56.841 54.840 -0.033 0.000 0.751 95 L CB -0.606 41.661 42.059 0.346 0.000 0.889 95 L HN 0.180 nan 8.230 nan 0.000 0.432 96 Q N -0.849 118.906 119.800 -0.075 0.000 2.119 96 Q HA -0.239 4.091 4.340 -0.017 0.000 0.201 96 Q C 2.194 178.118 176.000 -0.126 0.000 0.972 96 Q CA 1.695 57.452 55.803 -0.077 0.000 0.847 96 Q CB -0.274 28.417 28.738 -0.078 0.000 0.903 96 Q HN 0.691 nan 8.270 nan 0.000 0.433 97 N N -0.943 117.640 118.700 -0.194 0.000 2.166 97 N HA -0.131 4.598 4.740 -0.017 0.000 0.186 97 N C 1.274 176.671 175.510 -0.188 0.000 1.019 97 N CA 1.692 54.618 53.050 -0.206 0.000 0.856 97 N CB 0.115 38.445 38.487 -0.261 0.000 0.993 97 N HN 0.210 nan 8.380 nan 0.000 0.426 98 T N 1.261 115.671 114.554 -0.240 0.000 2.777 98 T HA -0.032 4.307 4.350 -0.017 0.000 0.266 98 T C 2.085 176.722 174.700 -0.104 0.000 1.040 98 T CA 0.973 62.954 62.100 -0.198 0.000 1.141 98 T CB -0.063 68.650 68.868 -0.259 0.000 0.868 98 T HN 0.248 nan 8.240 nan 0.000 0.444 99 M N 0.653 120.208 119.600 -0.075 0.000 2.108 99 M HA -0.098 4.372 4.480 -0.017 0.000 0.261 99 M C 2.476 178.741 176.300 -0.059 0.000 1.066 99 M CA 1.284 56.553 55.300 -0.051 0.000 1.107 99 M CB -0.690 31.896 32.600 -0.023 0.000 1.356 99 M HN 0.099 nan 8.290 nan 0.000 0.406 100 V N 0.938 120.822 119.914 -0.050 0.000 2.261 100 V HA -0.270 3.839 4.120 -0.017 0.000 0.246 100 V C 1.717 177.819 176.094 0.013 0.000 1.047 100 V CA 1.989 64.284 62.300 -0.008 0.000 1.015 100 V CB -0.842 30.977 31.823 -0.007 0.000 0.642 100 V HN 0.472 nan 8.190 nan 0.000 0.446 101 N N -0.429 118.266 118.700 -0.009 0.000 2.512 101 N HA -0.033 4.697 4.740 -0.017 0.000 0.183 101 N C 0.995 176.412 175.510 -0.156 0.000 1.073 101 N CA 0.643 53.673 53.050 -0.032 0.000 0.911 101 N CB -0.011 38.464 38.487 -0.020 0.000 0.964 101 N HN 0.287 nan 8.380 nan 0.000 0.447 102 L N -0.530 120.616 121.223 -0.128 0.000 2.693 102 L HA 0.426 4.755 4.340 -0.017 0.000 0.235 102 L C 0.541 177.324 176.870 -0.144 0.000 1.127 102 L CA -0.209 54.551 54.840 -0.133 0.000 0.914 102 L CB -0.522 41.479 42.059 -0.097 0.000 1.193 102 L HN 0.081 nan 8.230 nan 0.000 0.502 103 A N -0.426 122.309 122.820 -0.141 0.000 2.869 103 A HA -0.227 4.082 4.320 -0.017 0.000 0.280 103 A C 1.158 178.683 177.584 -0.099 0.000 1.458 103 A CA 1.250 53.216 52.037 -0.119 0.000 0.776 103 A CB -2.045 16.872 19.000 -0.139 0.000 1.028 103 A HN 0.320 nan 8.150 nan 0.000 0.547 104 L N -1.550 119.616 121.223 -0.097 0.000 2.664 104 L HA 0.145 4.474 4.340 -0.017 0.000 0.233 104 L C 1.964 178.798 176.870 -0.059 0.000 1.113 104 L CA 0.746 55.525 54.840 -0.102 0.000 0.896 104 L CB 0.049 42.017 42.059 -0.153 0.000 1.163 104 L HN 0.654 nan 8.230 nan 0.000 0.497 105 E N 0.883 121.057 120.200 -0.043 0.000 2.049 105 E HA -0.257 4.082 4.350 -0.017 0.000 0.198 105 E C 1.709 178.297 176.600 -0.020 0.000 1.007 105 E CA 1.627 58.012 56.400 -0.024 0.000 0.809 105 E CB 0.224 29.910 29.700 -0.022 0.000 0.749 105 E HN 0.382 nan 8.360 nan 0.000 0.450 106 N N -0.025 118.660 118.700 -0.025 0.000 2.142 106 N HA -0.114 4.615 4.740 -0.017 0.000 0.186 106 N C 1.552 177.051 175.510 -0.019 0.000 1.023 106 N CA 1.213 54.249 53.050 -0.023 0.000 0.852 106 N CB -0.414 38.058 38.487 -0.025 0.000 0.998 106 N HN 0.247 nan 8.380 nan 0.000 0.424 107 A N 0.425 123.232 122.820 -0.022 0.000 1.883 107 A HA -0.169 4.140 4.320 -0.017 0.000 0.217 107 A C 2.657 180.238 177.584 -0.004 0.000 1.186 107 A CA 1.514 53.541 52.037 -0.016 0.000 0.624 107 A CB -1.054 17.927 19.000 -0.030 0.000 0.822 107 A HN 0.455 nan 8.150 nan 0.000 0.444 108 C N -0.934 118.364 119.300 -0.003 0.000 2.440 108 C HA -0.056 4.394 4.460 -0.017 0.000 0.278 108 C C 2.457 177.454 174.990 0.012 0.000 1.295 108 C CA 1.008 60.036 59.018 0.017 0.000 1.738 108 C CB -1.161 26.601 27.740 0.038 0.000 1.987 108 C HN 0.701 nan 8.230 nan 0.000 0.492 109 D N 0.806 121.210 120.400 0.008 0.000 2.104 109 D HA -0.154 4.475 4.640 -0.017 0.000 0.194 109 D C 2.113 178.431 176.300 0.030 0.000 0.994 109 D CA 1.596 55.602 54.000 0.009 0.000 0.830 109 D CB -0.239 40.553 40.800 -0.013 0.000 0.959 109 D HN 0.462 nan 8.370 nan 0.000 0.452 110 E N 0.169 120.383 120.200 0.022 0.000 2.031 110 E HA -0.065 4.275 4.350 -0.017 0.000 0.193 110 E C 1.919 178.556 176.600 0.062 0.000 0.994 110 E CA 1.663 58.099 56.400 0.059 0.000 0.800 110 E CB -0.653 29.064 29.700 0.030 0.000 0.752 110 E HN 0.218 nan 8.360 nan 0.000 0.447 111 A N -0.101 122.725 122.820 0.010 0.000 1.892 111 A HA -0.246 4.064 4.320 -0.017 0.000 0.218 111 A C 2.502 180.014 177.584 -0.120 0.000 1.188 111 A CA 3.077 55.091 52.037 -0.038 0.000 0.631 111 A CB -1.536 17.449 19.000 -0.026 0.000 0.822 111 A HN 0.538 nan 8.150 nan 0.000 0.447 112 T N -3.728 110.754 114.554 -0.120 0.000 2.777 112 T HA -0.219 4.121 4.350 -0.017 0.000 0.266 112 T C 1.865 176.492 174.700 -0.122 0.000 1.040 112 T CA 1.527 63.503 62.100 -0.207 0.000 1.141 112 T CB -0.640 68.148 68.868 -0.133 0.000 0.868 112 T HN 0.442 nan 8.240 nan 0.000 0.444 113 Y N 2.354 122.578 120.300 -0.127 0.000 2.114 113 Y HA -0.171 4.370 4.550 -0.017 0.000 0.282 113 Y C 2.670 178.509 175.900 -0.101 0.000 1.165 113 Y CA 1.766 59.809 58.100 -0.095 0.000 1.148 113 Y CB -0.658 37.765 38.460 -0.062 0.000 0.972 113 Y HN 0.279 nan 8.280 nan 0.000 0.504 114 Q N -1.058 118.648 119.800 -0.157 0.000 2.224 114 Q HA -0.140 4.189 4.340 -0.017 0.000 0.203 114 Q C 1.714 177.577 176.000 -0.229 0.000 0.970 114 Q CA 0.980 56.654 55.803 -0.215 0.000 0.865 114 Q CB -0.131 28.560 28.738 -0.079 0.000 0.922 114 Q HN 0.348 nan 8.270 nan 0.000 0.445 115 L N -0.850 120.226 121.223 -0.244 0.000 2.610 115 L HA 0.088 4.418 4.340 -0.017 0.000 0.232 115 L C 1.156 177.864 176.870 -0.271 0.000 1.149 115 L CA 1.449 56.129 54.840 -0.267 0.000 0.872 115 L CB -0.504 41.307 42.059 -0.414 0.000 0.992 115 L HN 0.357 nan 8.230 nan 0.000 0.447 116 G N -0.403 108.222 108.800 -0.292 0.000 2.142 116 G HA2 -0.228 3.721 3.960 -0.017 0.000 0.225 116 G HA3 -0.228 3.721 3.960 -0.017 0.000 0.225 116 G C 0.008 174.777 174.900 -0.219 0.000 1.015 116 G CA 0.167 45.109 45.100 -0.263 0.000 0.716 116 G HN 0.270 nan 8.290 nan 0.000 0.508 117 L N -0.127 120.969 121.223 -0.212 0.000 2.354 117 L HA 0.606 4.936 4.340 -0.017 0.000 0.269 117 L C -0.659 176.189 176.870 -0.037 0.000 1.005 117 L CA -1.180 53.564 54.840 -0.159 0.000 0.819 117 L CB 1.968 43.866 42.059 -0.268 0.000 1.311 117 L HN 0.077 nan 8.230 nan 0.000 0.423 118 D N 2.106 122.510 120.400 0.007 0.000 2.359 118 D HA 0.186 4.815 4.640 -0.017 0.000 0.230 118 D C 0.636 176.966 176.300 0.049 0.000 1.118 118 D CA -0.176 53.854 54.000 0.049 0.000 0.844 118 D CB 1.513 42.346 40.800 0.055 0.000 1.059 118 D HN 0.497 nan 8.370 nan 0.000 0.493 119 M N 3.099 122.729 119.600 0.049 0.000 2.159 119 M HA -0.143 4.326 4.480 -0.017 0.000 0.263 119 M C 1.360 177.700 176.300 0.066 0.000 1.063 119 M CA 1.513 56.850 55.300 0.062 0.000 1.110 119 M CB 0.197 32.827 32.600 0.051 0.000 1.374 119 M HN 0.432 nan 8.290 nan 0.000 0.411 120 E N -0.226 120.003 120.200 0.048 0.000 2.110 120 E HA -0.262 4.077 4.350 -0.017 0.000 0.193 120 E C 1.846 178.473 176.600 0.046 0.000 0.988 120 E CA 1.400 57.824 56.400 0.041 0.000 0.804 120 E CB -0.192 29.528 29.700 0.034 0.000 0.745 120 E HN 0.638 nan 8.360 nan 0.000 0.458 121 E N 0.466 120.698 120.200 0.054 0.000 2.106 121 E HA -0.193 4.147 4.350 -0.017 0.000 0.192 121 E C 1.910 178.545 176.600 0.058 0.000 0.984 121 E CA 0.583 57.016 56.400 0.055 0.000 0.806 121 E CB 0.186 29.922 29.700 0.060 0.000 0.750 121 E HN 0.085 nan 8.360 nan 0.000 0.458 122 L N 1.364 122.642 121.223 0.092 0.000 2.093 122 L HA -0.113 4.217 4.340 -0.017 0.000 0.208 122 L C 2.050 178.963 176.870 0.072 0.000 1.085 122 L CA 1.598 56.521 54.840 0.138 0.000 0.755 122 L CB -0.714 41.482 42.059 0.228 0.000 0.904 122 L HN 0.133 nan 8.230 nan 0.000 0.435 123 E N -0.721 119.514 120.200 0.058 0.000 2.150 123 E HA -0.176 4.164 4.350 -0.017 0.000 0.193 123 E C 1.768 178.318 176.600 -0.083 0.000 0.985 123 E CA 0.614 57.018 56.400 0.007 0.000 0.814 123 E CB 0.063 29.778 29.700 0.025 0.000 0.752 123 E HN 0.377 nan 8.360 nan 0.000 0.466 124 E N 0.180 120.348 120.200 -0.054 0.000 2.418 124 E HA -0.100 4.239 4.350 -0.017 0.000 0.197 124 E C 1.749 178.279 176.600 -0.117 0.000 1.026 124 E CA 0.529 56.898 56.400 -0.050 0.000 0.862 124 E CB 0.096 29.802 29.700 0.010 0.000 0.799 124 E HN 0.402 nan 8.360 nan 0.000 0.518 125 I N 0.711 121.144 120.570 -0.229 0.000 2.716 125 I HA -0.090 4.070 4.170 -0.017 0.000 0.259 125 I C 1.351 177.141 176.117 -0.544 0.000 1.172 125 I CA 0.210 61.301 61.300 -0.348 0.000 1.478 125 I CB 0.162 37.951 38.000 -0.352 0.000 1.104 125 I HN -0.046 nan 8.210 nan 0.000 0.439 126 E N 2.786 122.554 120.200 -0.720 0.000 2.376 126 E HA -0.028 4.312 4.350 -0.017 0.000 0.266 126 E C -0.236 176.273 176.600 -0.153 0.000 1.009 126 E CA -0.240 55.818 56.400 -0.570 0.000 0.902 126 E CB 0.608 30.086 29.700 -0.370 0.000 0.972 126 E HN 0.096 nan 8.360 nan 0.000 0.439 127 E N 3.502 123.708 120.200 0.009 0.000 2.373 127 E HA 0.039 4.379 4.350 -0.017 0.000 0.267 127 E C -0.771 175.922 176.600 0.154 0.000 1.032 127 E CA -0.134 56.349 56.400 0.138 0.000 0.889 127 E CB 0.645 30.517 29.700 0.286 0.000 0.984 127 E HN 0.510 nan 8.360 nan 0.000 0.425 128 D N 0.798 121.263 120.400 0.107 0.000 2.488 128 D HA 0.121 4.751 4.640 -0.017 0.000 0.238 128 D C -0.310 176.014 176.300 0.041 0.000 1.138 128 D CA 0.311 54.352 54.000 0.067 0.000 0.873 128 D CB 0.514 41.349 40.800 0.059 0.000 1.183 128 D HN 0.374 nan 8.370 nan 0.000 0.458 129 A N 2.592 125.384 122.820 -0.047 0.000 2.539 129 A HA 0.470 4.780 4.320 -0.017 0.000 0.306 129 A C 1.031 178.453 177.584 -0.271 0.000 1.392 129 A CA -0.422 51.372 52.037 -0.405 0.000 1.060 129 A CB -0.148 18.675 19.000 -0.295 0.000 1.134 129 A HN 0.571 nan 8.150 nan 0.000 0.542 130 G N 2.219 110.795 108.800 -0.373 0.000 3.943 130 G HA2 0.418 4.368 3.960 -0.017 0.000 0.275 130 G HA3 0.418 4.368 3.960 -0.017 0.000 0.275 130 G C 0.301 174.922 174.900 -0.466 0.000 1.234 130 G CA -0.304 44.621 45.100 -0.291 0.000 1.522 130 G HN 0.698 nan 8.290 nan 0.000 0.636 131 L N 1.251 122.275 121.223 -0.331 0.000 2.862 131 L HA 0.385 4.715 4.340 -0.017 0.000 0.240 131 L C 1.076 177.884 176.870 -0.104 0.000 1.283 131 L CA -0.202 54.571 54.840 -0.111 0.000 1.117 131 L CB -0.309 41.808 42.059 0.097 0.000 1.444 131 L HN 0.324 nan 8.230 nan 0.000 0.456 132 G N -1.379 107.141 108.800 -0.466 0.000 2.649 132 G HA2 0.205 4.155 3.960 -0.017 0.000 0.290 132 G HA3 0.205 4.155 3.960 -0.017 0.000 0.290 132 G C -0.170 174.363 174.900 -0.612 0.000 1.426 132 G CA -0.441 44.416 45.100 -0.404 0.000 0.794 132 G HN -0.110 nan 8.290 nan 0.000 0.483 133 N N -0.875 117.674 118.700 -0.252 0.000 2.436 133 N HA 0.218 4.948 4.740 -0.017 0.000 0.178 133 N C 1.141 176.680 175.510 0.049 0.000 1.026 133 N CA 1.319 54.291 53.050 -0.130 0.000 0.880 133 N CB 1.151 39.644 38.487 0.010 0.000 1.061 133 N HN 0.808 nan 8.380 nan 0.000 0.434 134 G N -0.804 108.097 108.800 0.168 0.000 2.929 134 G HA2 0.241 4.190 3.960 -0.017 0.000 0.123 134 G HA3 0.241 4.190 3.960 -0.017 0.000 0.123 134 G C 0.681 175.690 174.900 0.181 0.000 1.212 134 G CA 0.270 45.511 45.100 0.236 0.000 1.238 134 G HN 0.170 nan 8.290 nan 0.000 0.617 135 G N 0.303 109.166 108.800 0.105 0.000 2.418 135 G HA2 -0.032 3.918 3.960 -0.017 0.000 0.217 135 G HA3 -0.032 3.918 3.960 -0.017 0.000 0.217 135 G C 1.865 176.763 174.900 -0.003 0.000 1.158 135 G CA 1.397 46.524 45.100 0.044 0.000 0.771 135 G HN 0.698 nan 8.290 nan 0.000 0.545 136 L N 0.645 121.844 121.223 -0.040 0.000 2.046 136 L HA 0.090 4.420 4.340 -0.017 0.000 0.208 136 L C 2.805 179.608 176.870 -0.112 0.000 1.077 136 L CA 1.960 56.688 54.840 -0.187 0.000 0.747 136 L CB -0.520 41.386 42.059 -0.254 0.000 0.896 136 L HN 0.225 nan 8.230 nan 0.000 0.432 137 G N -0.706 108.094 108.800 0.000 0.000 2.408 137 G HA2 -0.274 3.676 3.960 -0.017 0.000 0.217 137 G HA3 -0.274 3.676 3.960 -0.017 0.000 0.217 137 G C 1.673 176.648 174.900 0.126 0.000 1.150 137 G CA 0.533 45.665 45.100 0.053 0.000 0.776 137 G HN 0.241 nan 8.290 nan 0.000 0.542 138 R N 0.243 120.829 120.500 0.143 0.000 2.115 138 R HA 0.136 4.466 4.340 -0.017 0.000 0.226 138 R C 2.328 178.639 176.300 0.018 0.000 1.100 138 R CA 0.638 56.797 56.100 0.099 0.000 0.980 138 R CB -1.138 29.184 30.300 0.038 0.000 0.875 138 R HN 0.336 nan 8.270 nan 0.000 0.445 139 L N 0.596 121.766 121.223 -0.090 0.000 2.042 139 L HA -0.057 4.272 4.340 -0.017 0.000 0.210 139 L C 2.135 178.738 176.870 -0.446 0.000 1.076 139 L CA 2.265 56.915 54.840 -0.316 0.000 0.749 139 L CB -0.942 40.890 42.059 -0.378 0.000 0.893 139 L HN 0.236 nan 8.230 nan 0.000 0.432 140 A N -0.725 121.966 122.820 -0.215 0.000 1.908 140 A HA -0.162 4.148 4.320 -0.017 0.000 0.218 140 A C 2.444 180.101 177.584 0.122 0.000 1.181 140 A CA 1.956 53.948 52.037 -0.076 0.000 0.627 140 A CB -1.169 17.785 19.000 -0.078 0.000 0.818 140 A HN 0.567 nan 8.150 nan 0.000 0.445 141 A N -1.098 121.822 122.820 0.168 0.000 1.902 141 A HA -0.164 4.145 4.320 -0.017 0.000 0.217 141 A C 2.322 179.980 177.584 0.123 0.000 1.181 141 A CA 1.681 53.825 52.037 0.180 0.000 0.623 141 A CB -1.263 17.828 19.000 0.153 0.000 0.818 141 A HN 0.600 nan 8.150 nan 0.000 0.443 142 C N -1.599 117.780 119.300 0.132 0.000 2.429 142 C HA -0.047 4.402 4.460 -0.017 0.000 0.277 142 C C 2.420 177.574 174.990 0.274 0.000 1.262 142 C CA 0.600 59.734 59.018 0.194 0.000 1.733 142 C CB -1.610 26.275 27.740 0.242 0.000 2.010 142 C HN 0.606 nan 8.230 nan 0.000 0.483 143 F N 1.334 121.267 119.950 -0.027 0.000 2.095 143 F HA -0.110 4.406 4.527 -0.018 0.000 0.298 143 F C 2.246 177.980 175.800 -0.110 0.000 1.104 143 F CA 1.148 59.078 58.000 -0.116 0.000 1.232 143 F CB -1.365 37.438 39.000 -0.329 0.000 0.987 143 F HN 0.194 nan 8.300 nan 0.000 0.475 144 L N -0.520 120.766 121.223 0.106 0.000 2.046 144 L HA -0.246 4.084 4.340 -0.017 0.000 0.208 144 L C 2.411 179.282 176.870 0.000 0.000 1.077 144 L CA 1.870 56.724 54.840 0.024 0.000 0.747 144 L CB -0.789 41.280 42.059 0.017 0.000 0.896 144 L HN 0.178 nan 8.230 nan 0.000 0.432 145 D N -0.110 120.301 120.400 0.018 0.000 2.104 145 D HA -0.173 4.456 4.640 -0.017 0.000 0.194 145 D C 2.079 178.386 176.300 0.012 0.000 0.994 145 D CA 1.728 55.726 54.000 -0.002 0.000 0.830 145 D CB 0.314 41.111 40.800 -0.004 0.000 0.959 145 D HN 0.229 nan 8.370 nan 0.000 0.452 146 S N -0.056 115.665 115.700 0.036 0.000 2.383 146 S HA -0.081 4.378 4.470 -0.017 0.000 0.227 146 S C 2.135 176.737 174.600 0.004 0.000 1.026 146 S CA 0.778 58.991 58.200 0.021 0.000 0.981 146 S CB -0.122 63.091 63.200 0.023 0.000 0.818 146 S HN 0.351 nan 8.310 nan 0.000 0.472 147 M N 0.972 120.567 119.600 -0.008 0.000 2.213 147 M HA -0.095 4.375 4.480 -0.017 0.000 0.263 147 M C 2.417 178.712 176.300 -0.009 0.000 1.062 147 M CA 1.393 56.688 55.300 -0.009 0.000 1.105 147 M CB -0.506 32.073 32.600 -0.036 0.000 1.385 147 M HN 0.399 nan 8.290 nan 0.000 0.417 148 A N -0.257 122.554 122.820 -0.014 0.000 1.898 148 A HA -0.089 4.220 4.320 -0.017 0.000 0.214 148 A C 2.160 179.751 177.584 0.012 0.000 1.183 148 A CA 1.794 53.826 52.037 -0.009 0.000 0.622 148 A CB -1.008 17.970 19.000 -0.037 0.000 0.824 148 A HN 0.390 nan 8.150 nan 0.000 0.444 149 T N 0.448 115.015 114.554 0.021 0.000 2.803 149 T HA -0.041 4.298 4.350 -0.017 0.000 0.269 149 T C 1.288 176.013 174.700 0.040 0.000 1.052 149 T CA 1.211 63.339 62.100 0.046 0.000 1.136 149 T CB -0.289 68.614 68.868 0.058 0.000 0.864 149 T HN 0.336 nan 8.240 nan 0.000 0.467 150 L N 0.297 121.539 121.223 0.032 0.000 2.653 150 L HA 0.316 4.646 4.340 -0.017 0.000 0.231 150 L C 1.652 178.548 176.870 0.043 0.000 1.153 150 L CA -0.043 54.819 54.840 0.036 0.000 0.933 150 L CB -0.306 41.774 42.059 0.035 0.000 1.175 150 L HN 0.399 nan 8.230 nan 0.000 0.473 151 G N 1.011 109.838 108.800 0.046 0.000 2.198 151 G HA2 -0.287 3.663 3.960 -0.017 0.000 0.260 151 G HA3 -0.287 3.663 3.960 -0.017 0.000 0.260 151 G C 0.144 175.092 174.900 0.080 0.000 1.025 151 G CA 0.039 45.182 45.100 0.072 0.000 0.769 151 G HN 0.283 nan 8.290 nan 0.000 0.507 152 L N 0.020 121.262 121.223 0.031 0.000 2.350 152 L HA 0.600 4.929 4.340 -0.017 0.000 0.275 152 L C 1.207 177.968 176.870 -0.182 0.000 1.099 152 L CA -0.297 54.519 54.840 -0.041 0.000 0.808 152 L CB 1.551 43.599 42.059 -0.018 0.000 1.149 152 L HN 0.253 nan 8.230 nan 0.000 0.442 153 A N 3.201 125.780 122.820 -0.403 0.000 2.990 153 A HA 0.576 4.886 4.320 -0.017 0.000 0.282 153 A C 0.234 177.465 177.584 -0.588 0.000 1.688 153 A CA -0.145 51.363 52.037 -0.882 0.000 1.391 153 A CB -0.607 17.760 19.000 -1.054 0.000 1.112 153 A HN 0.700 nan 8.150 nan 0.000 0.588 154 A N 1.537 124.045 122.820 -0.520 0.000 2.355 154 A HA 0.811 5.121 4.320 -0.017 0.000 0.324 154 A C -1.122 176.178 177.584 -0.473 0.000 1.117 154 A CA -0.477 51.328 52.037 -0.388 0.000 0.785 154 A CB 0.910 19.760 19.000 -0.250 0.000 1.254 154 A HN 0.612 nan 8.150 nan 0.000 0.453 155 Y N 0.217 120.455 120.300 -0.102 0.000 2.406 155 Y HA 0.539 5.078 4.550 -0.017 0.000 0.340 155 Y C 0.821 176.817 175.900 0.159 0.000 0.975 155 Y CA -0.523 57.596 58.100 0.032 0.000 1.056 155 Y CB 2.478 41.058 38.460 0.200 0.000 1.210 155 Y HN 0.844 nan 8.280 nan 0.000 0.448 156 G N 2.331 111.218 108.800 0.144 0.000 2.325 156 G HA2 0.439 4.388 3.960 -0.017 0.000 0.298 156 G HA3 0.439 4.388 3.960 -0.017 0.000 0.298 156 G C -1.700 173.220 174.900 0.034 0.000 1.134 156 G CA -0.217 44.989 45.100 0.177 0.000 0.876 156 G HN 0.522 nan 8.290 nan 0.000 0.452 157 Y N 1.136 121.670 120.300 0.390 0.000 2.376 157 Y HA 0.642 5.181 4.550 -0.017 0.000 0.340 157 Y C 0.784 177.000 175.900 0.527 0.000 0.965 157 Y CA 0.294 58.595 58.100 0.335 0.000 1.078 157 Y CB 2.697 41.370 38.460 0.355 0.000 1.193 157 Y HN 0.877 nan 8.280 nan 0.000 0.452 158 G N 2.322 111.455 108.800 0.554 0.000 2.664 158 G HA2 0.558 4.508 3.960 -0.017 0.000 0.303 158 G HA3 0.558 4.508 3.960 -0.017 0.000 0.303 158 G C -1.811 173.324 174.900 0.392 0.000 1.243 158 G CA -0.819 44.625 45.100 0.573 0.000 0.826 158 G HN 0.426 nan 8.290 nan 0.000 0.498 159 I N 0.473 121.167 120.570 0.207 0.000 2.474 159 I HA 0.451 4.611 4.170 -0.017 0.000 0.294 159 I C 0.127 176.153 176.117 -0.152 0.000 1.005 159 I CA -0.766 60.545 61.300 0.019 0.000 1.113 159 I CB 2.340 40.168 38.000 -0.288 0.000 1.289 159 I HN 0.363 nan 8.210 nan 0.000 0.436 160 R N 5.769 126.279 120.500 0.017 0.000 2.608 160 R HA 0.246 4.575 4.340 -0.017 0.000 0.277 160 R C -1.266 175.091 176.300 0.096 0.000 1.341 160 R CA -0.443 55.701 56.100 0.073 0.000 1.199 160 R CB -0.038 30.283 30.300 0.034 0.000 1.156 160 R HN 0.395 nan 8.270 nan 0.000 0.558 161 Y N 1.400 121.866 120.300 0.277 0.000 2.425 161 Y HA -0.069 4.470 4.550 -0.018 0.000 0.331 161 Y C 1.575 177.664 175.900 0.315 0.000 1.157 161 Y CA 0.027 58.280 58.100 0.256 0.000 1.372 161 Y CB 0.813 39.401 38.460 0.213 0.000 1.253 161 Y HN 0.576 nan 8.280 nan 0.000 0.536 162 E N 2.112 122.504 120.200 0.321 0.000 2.150 162 E HA -0.064 4.276 4.350 -0.017 0.000 0.193 162 E C -0.743 175.748 176.600 -0.182 0.000 0.985 162 E CA 0.703 57.099 56.400 -0.006 0.000 0.814 162 E CB 0.178 29.794 29.700 -0.140 0.000 0.752 162 E HN 0.508 nan 8.360 nan 0.000 0.466 163 F N -0.254 119.910 119.950 0.358 0.000 2.460 163 F HA 0.427 4.944 4.527 -0.017 0.000 0.341 163 F C 0.770 176.668 175.800 0.164 0.000 1.130 163 F CA -0.872 57.300 58.000 0.286 0.000 0.962 163 F CB 1.822 40.919 39.000 0.161 0.000 1.171 163 F HN -0.109 nan 8.300 nan 0.000 0.436 164 G N 1.920 110.844 108.800 0.206 0.000 2.504 164 G HA2 0.322 4.271 3.960 -0.017 0.000 0.257 164 G HA3 0.322 4.271 3.960 -0.017 0.000 0.257 164 G C -0.440 174.418 174.900 -0.069 0.000 1.451 164 G CA -0.656 44.403 45.100 -0.067 0.000 1.059 164 G HN 0.540 nan 8.290 nan 0.000 0.550 165 I N 0.842 121.281 120.570 -0.218 0.000 2.775 165 I HA 0.195 4.355 4.170 -0.017 0.000 0.290 165 I C 0.494 176.506 176.117 -0.175 0.000 1.203 165 I CA -1.010 60.125 61.300 -0.275 0.000 1.433 165 I CB -0.218 37.508 38.000 -0.457 0.000 1.354 165 I HN 0.316 nan 8.210 nan 0.000 0.579 166 F N 6.067 126.025 119.950 0.015 0.000 2.553 166 F HA 0.295 4.812 4.527 -0.017 0.000 0.356 166 F C 0.525 176.372 175.800 0.079 0.000 1.142 166 F CA -0.727 57.305 58.000 0.053 0.000 1.322 166 F CB -0.359 38.660 39.000 0.032 0.000 1.126 166 F HN 0.405 nan 8.300 nan 0.000 0.599 167 N N 2.357 121.235 118.700 0.296 0.000 2.470 167 N HA 0.025 4.755 4.740 -0.017 0.000 0.268 167 N C -0.695 175.046 175.510 0.385 0.000 1.136 167 N CA -0.198 53.004 53.050 0.254 0.000 0.961 167 N CB 1.044 39.661 38.487 0.216 0.000 1.067 167 N HN 0.756 nan 8.380 nan 0.000 0.468 168 Q N 2.613 122.620 119.800 0.345 0.000 2.296 168 Q HA 0.128 4.457 4.340 -0.017 0.000 0.257 168 Q C -0.905 175.257 176.000 0.270 0.000 0.942 168 Q CA -0.343 55.685 55.803 0.376 0.000 0.939 168 Q CB 0.586 29.554 28.738 0.383 0.000 1.198 168 Q HN 0.204 nan 8.270 nan 0.000 0.429 169 K N 4.353 124.886 120.400 0.222 0.000 2.164 169 K HA 0.442 4.752 4.320 -0.017 0.000 0.258 169 K C -0.533 176.160 176.600 0.156 0.000 0.951 169 K CA -0.851 55.545 56.287 0.181 0.000 0.844 169 K CB 1.483 34.069 32.500 0.143 0.000 1.099 169 K HN 0.628 nan 8.250 nan 0.000 0.435 170 I N 2.082 122.738 120.570 0.144 0.000 2.312 170 I HA 0.156 4.315 4.170 -0.017 0.000 0.290 170 I C -0.074 176.096 176.117 0.088 0.000 1.008 170 I CA -0.705 60.649 61.300 0.090 0.000 1.226 170 I CB 0.853 38.891 38.000 0.062 0.000 1.371 170 I HN 0.451 nan 8.210 nan 0.000 0.468 171 C N 4.975 124.337 119.300 0.103 0.000 2.346 171 C HA 0.620 5.069 4.460 -0.017 0.000 0.326 171 C C 1.127 176.216 174.990 0.165 0.000 1.224 171 C CA 0.214 59.301 59.018 0.115 0.000 1.408 171 C CB 0.001 27.804 27.740 0.106 0.000 2.089 171 C HN 1.094 nan 8.230 nan 0.000 0.456 172 G N 3.874 112.745 108.800 0.118 0.000 2.225 172 G HA2 0.062 4.012 3.960 -0.017 0.000 0.267 172 G HA3 0.062 4.012 3.960 -0.017 0.000 0.267 172 G C 1.184 176.089 174.900 0.008 0.000 1.024 172 G CA 1.158 46.335 45.100 0.129 0.000 0.784 172 G HN 2.533 nan 8.290 nan 0.000 0.507 173 G N -2.864 105.879 108.800 -0.095 0.000 2.179 173 G HA2 -0.293 3.657 3.960 -0.017 0.000 0.260 173 G HA3 -0.293 3.657 3.960 -0.017 0.000 0.260 173 G C 0.332 174.955 174.900 -0.461 0.000 0.977 173 G CA 0.624 45.534 45.100 -0.316 0.000 0.641 173 G HN 1.206 nan 8.290 nan 0.000 0.533 174 W N 1.037 122.281 121.300 -0.094 0.000 2.469 174 W HA 0.648 5.297 4.660 -0.017 0.000 0.320 174 W C 0.640 177.103 176.519 -0.093 0.000 1.086 174 W CA -0.927 56.356 57.345 -0.103 0.000 1.211 174 W CB 0.901 30.316 29.460 -0.075 0.000 1.298 174 W HN 0.263 nan 8.180 nan 0.000 0.525 175 Q N 3.614 123.498 119.800 0.140 0.000 2.289 175 Q HA 0.153 4.483 4.340 -0.017 0.000 0.273 175 Q C -0.493 175.557 176.000 0.083 0.000 1.029 175 Q CA 0.292 56.149 55.803 0.091 0.000 0.896 175 Q CB 0.508 29.289 28.738 0.072 0.000 1.182 175 Q HN 0.325 nan 8.270 nan 0.000 0.385 176 M N 3.165 122.809 119.600 0.074 0.000 2.456 176 M HA 0.394 4.864 4.480 -0.017 0.000 0.324 176 M C -1.012 175.291 176.300 0.005 0.000 1.124 176 M CA -0.707 54.606 55.300 0.021 0.000 0.959 176 M CB 1.734 34.359 32.600 0.041 0.000 1.692 176 M HN 0.586 nan 8.290 nan 0.000 0.444 177 E N 1.662 121.797 120.200 -0.108 0.000 2.179 177 E HA 0.468 4.808 4.350 -0.017 0.000 0.275 177 E C -0.737 175.853 176.600 -0.017 0.000 0.945 177 E CA -0.567 55.739 56.400 -0.157 0.000 0.792 177 E CB 1.586 30.931 29.700 -0.592 0.000 1.125 177 E HN 0.522 nan 8.360 nan 0.000 0.397 178 E N 0.849 121.117 120.200 0.112 0.000 2.343 178 E HA 0.732 5.072 4.350 -0.017 0.000 0.270 178 E C -1.009 175.684 176.600 0.155 0.000 0.895 178 E CA -1.571 54.888 56.400 0.098 0.000 0.767 178 E CB 1.434 31.195 29.700 0.102 0.000 1.248 178 E HN 0.446 nan 8.360 nan 0.000 0.440 179 A N 1.868 124.741 122.820 0.088 0.000 2.567 179 A HA 0.029 4.339 4.320 -0.017 0.000 0.240 179 A C -0.127 177.637 177.584 0.300 0.000 1.053 179 A CA 0.288 52.393 52.037 0.114 0.000 0.755 179 A CB -0.108 18.837 19.000 -0.091 0.000 0.978 179 A HN 0.686 nan 8.150 nan 0.000 0.507 180 D N 1.682 122.329 120.400 0.411 0.000 2.494 180 D HA 0.199 4.829 4.640 -0.017 0.000 0.217 180 D C -0.507 176.114 176.300 0.534 0.000 1.153 180 D CA -0.173 54.065 54.000 0.397 0.000 0.954 180 D CB 0.358 41.322 40.800 0.275 0.000 1.034 180 D HN 0.372 nan 8.370 nan 0.000 0.518 181 D N 3.824 124.495 120.400 0.452 0.000 2.713 181 D HA -0.016 4.614 4.640 -0.017 0.000 0.229 181 D C 1.087 177.498 176.300 0.187 0.000 1.136 181 D CA -0.533 53.631 54.000 0.272 0.000 1.010 181 D CB -0.152 40.819 40.800 0.286 0.000 1.084 181 D HN 0.575 nan 8.370 nan 0.000 0.495 182 W N 1.819 123.136 121.300 0.029 0.000 2.595 182 W HA -0.014 4.636 4.660 -0.017 0.000 0.257 182 W C 0.173 176.741 176.519 0.081 0.000 1.267 182 W CA 0.046 57.440 57.345 0.081 0.000 1.300 182 W CB -0.694 28.819 29.460 0.087 0.000 1.120 182 W HN 0.151 nan 8.180 nan 0.000 0.618 183 L N 1.061 121.902 121.223 -0.636 0.000 2.611 183 L HA 0.181 4.510 4.340 -0.017 0.000 0.229 183 L C 2.716 179.413 176.870 -0.288 0.000 1.137 183 L CA -0.033 54.414 54.840 -0.654 0.000 0.901 183 L CB -0.628 40.929 42.059 -0.837 0.000 1.098 183 L HN -0.093 nan 8.230 nan 0.000 0.456 184 R N 0.578 120.974 120.500 -0.173 0.000 2.112 184 R HA -0.231 4.099 4.340 -0.017 0.000 0.242 184 R C 1.478 177.617 176.300 -0.268 0.000 1.137 184 R CA 2.158 58.125 56.100 -0.221 0.000 0.944 184 R CB -0.197 29.965 30.300 -0.231 0.000 0.857 184 R HN 0.297 nan 8.270 nan 0.000 0.435 185 Y N -0.576 119.739 120.300 0.026 0.000 2.466 185 Y HA 0.318 4.857 4.550 -0.017 0.000 0.272 185 Y C 0.745 176.623 175.900 -0.036 0.000 1.169 185 Y CA 0.427 58.555 58.100 0.047 0.000 1.285 185 Y CB 0.893 39.501 38.460 0.248 0.000 1.078 185 Y HN 0.421 nan 8.280 nan 0.000 0.523 186 G N 1.363 110.193 108.800 0.051 0.000 2.719 186 G HA2 -0.229 3.720 3.960 -0.017 0.000 0.686 186 G HA3 -0.229 3.720 3.960 -0.017 0.000 0.686 186 G C -1.251 173.695 174.900 0.076 0.000 1.201 186 G CA -0.891 44.191 45.100 -0.029 0.000 0.768 186 G HN 0.259 nan 8.290 nan 0.000 0.629 187 N N 1.921 120.610 118.700 -0.018 0.000 2.511 187 N HA 0.610 5.340 4.740 -0.017 0.000 0.249 187 N C -0.439 175.070 175.510 -0.003 0.000 0.971 187 N CA -2.096 50.981 53.050 0.045 0.000 0.938 187 N CB 1.858 40.304 38.487 -0.067 0.000 1.131 187 N HN 0.228 nan 8.380 nan 0.000 0.505 188 P HA -0.002 nan 4.420 nan 0.000 0.229 188 P C 0.224 177.201 177.300 -0.539 0.000 1.160 188 P CA 0.814 63.627 63.100 -0.480 0.000 0.777 188 P CB 0.011 31.223 31.700 -0.815 0.000 0.814 189 W N 1.971 123.296 121.300 0.042 0.000 3.438 189 W HA 0.152 4.802 4.660 -0.017 0.000 0.322 189 W C 0.749 177.306 176.519 0.062 0.000 1.261 189 W CA -0.588 56.772 57.345 0.026 0.000 1.788 189 W CB -0.032 29.455 29.460 0.045 0.000 1.065 189 W HN 0.084 nan 8.180 nan 0.000 0.715 190 E N 0.642 120.975 120.200 0.221 0.000 2.288 190 E HA 0.499 4.839 4.350 -0.017 0.000 0.268 190 E C -1.118 175.624 176.600 0.236 0.000 0.885 190 E CA -1.237 55.319 56.400 0.259 0.000 0.767 190 E CB 1.914 31.782 29.700 0.281 0.000 1.220 190 E HN -0.275 nan 8.360 nan 0.000 0.427 191 K N 1.917 122.478 120.400 0.268 0.000 2.483 191 K HA 0.480 4.790 4.320 -0.017 0.000 0.256 191 K C -1.015 175.619 176.600 0.058 0.000 0.961 191 K CA -0.448 55.940 56.287 0.167 0.000 0.873 191 K CB 1.500 34.098 32.500 0.164 0.000 1.107 191 K HN 0.679 nan 8.250 nan 0.000 0.432 192 A N 4.341 127.128 122.820 -0.056 0.000 2.540 192 A HA 0.268 4.578 4.320 -0.017 0.000 0.239 192 A C -0.204 177.232 177.584 -0.247 0.000 1.061 192 A CA 0.030 51.802 52.037 -0.441 0.000 0.758 192 A CB 0.180 18.947 19.000 -0.389 0.000 0.991 192 A HN 0.686 nan 8.150 nan 0.000 0.502 193 R N 3.166 123.507 120.500 -0.265 0.000 2.835 193 R HA 0.196 4.526 4.340 -0.017 0.000 0.290 193 R C -2.347 173.936 176.300 -0.028 0.000 1.410 193 R CA -1.527 54.554 56.100 -0.030 0.000 1.590 193 R CB 0.709 31.114 30.300 0.175 0.000 1.288 193 R HN 0.573 nan 8.270 nan 0.000 0.637 194 P HA -0.166 nan 4.420 nan 0.000 0.225 194 P C 0.922 178.175 177.300 -0.079 0.000 1.148 194 P CA 1.041 64.099 63.100 -0.070 0.000 0.779 194 P CB 0.372 32.027 31.700 -0.074 0.000 0.780 195 E N -0.138 119.944 120.200 -0.195 0.000 2.347 195 E HA -0.127 4.212 4.350 -0.017 0.000 0.196 195 E C 0.649 176.993 176.600 -0.428 0.000 1.008 195 E CA 0.830 57.013 56.400 -0.361 0.000 0.852 195 E CB -0.898 28.470 29.700 -0.554 0.000 0.783 195 E HN 0.294 nan 8.360 nan 0.000 0.505 196 F N 2.040 121.999 119.950 0.015 0.000 2.668 196 F HA 0.250 4.767 4.527 -0.017 0.000 0.297 196 F C 0.444 176.332 175.800 0.146 0.000 1.124 196 F CA -0.355 57.686 58.000 0.068 0.000 1.353 196 F CB 0.176 39.212 39.000 0.061 0.000 0.992 196 F HN -0.299 nan 8.300 nan 0.000 0.524 197 T N 2.683 117.365 114.554 0.213 0.000 2.928 197 T HA 0.272 4.611 4.350 -0.017 0.000 0.305 197 T C -0.248 174.547 174.700 0.158 0.000 1.035 197 T CA 0.326 62.551 62.100 0.209 0.000 1.145 197 T CB 0.732 69.674 68.868 0.123 0.000 0.963 197 T HN -0.133 nan 8.240 nan 0.000 0.545 198 L N 5.384 126.676 121.223 0.115 0.000 2.370 198 L HA 0.578 4.907 4.340 -0.017 0.000 0.266 198 L C -2.313 174.520 176.870 -0.061 0.000 1.002 198 L CA -2.533 52.306 54.840 -0.002 0.000 0.818 198 L CB 2.036 44.024 42.059 -0.118 0.000 1.325 198 L HN 0.383 nan 8.230 nan 0.000 0.418 199 P HA 0.437 nan 4.420 nan 0.000 0.288 199 P C -1.257 175.932 177.300 -0.184 0.000 1.267 199 P CA -0.460 62.568 63.100 -0.121 0.000 0.815 199 P CB 1.619 33.248 31.700 -0.119 0.000 0.989 200 V N 3.631 123.416 119.914 -0.215 0.000 2.604 200 V HA 0.352 4.461 4.120 -0.017 0.000 0.305 200 V C 0.043 175.935 176.094 -0.338 0.000 1.043 200 V CA -0.597 61.567 62.300 -0.226 0.000 0.888 200 V CB 1.482 33.210 31.823 -0.157 0.000 0.995 200 V HN 0.596 nan 8.190 nan 0.000 0.429 201 H N 3.725 122.643 119.070 -0.254 0.000 2.472 201 H HA 0.620 5.166 4.556 -0.017 0.000 0.338 201 H C -1.342 173.714 175.328 -0.453 0.000 1.133 201 H CA -0.176 55.651 56.048 -0.368 0.000 1.216 201 H CB 1.975 31.303 29.762 -0.724 0.000 1.497 201 H HN 0.482 nan 8.280 nan 0.000 0.500 202 F N 0.507 120.519 119.950 0.103 0.000 2.613 202 F HA 0.215 4.732 4.527 -0.017 0.000 0.314 202 F C -0.272 175.655 175.800 0.212 0.000 1.075 202 F CA -0.505 57.563 58.000 0.112 0.000 0.945 202 F CB 1.159 40.147 39.000 -0.021 0.000 1.310 202 F HN 0.574 nan 8.300 nan 0.000 0.467 203 Y N 0.195 120.799 120.300 0.507 0.000 2.904 203 Y HA -0.002 4.538 4.550 -0.017 0.000 0.466 203 Y C 1.318 177.479 175.900 0.434 0.000 1.202 203 Y CA 0.599 58.917 58.100 0.363 0.000 2.492 203 Y CB -1.916 36.686 38.460 0.237 0.000 1.237 203 Y HN 1.280 nan 8.280 nan 0.000 0.633 204 G N 0.658 109.740 108.800 0.470 0.000 2.593 204 G HA2 0.127 4.076 3.960 -0.017 0.000 0.237 204 G HA3 0.127 4.076 3.960 -0.017 0.000 0.237 204 G C -0.620 174.504 174.900 0.374 0.000 1.312 204 G CA 0.904 46.204 45.100 0.333 0.000 0.896 204 G HN 1.384 nan 8.290 nan 0.000 0.574 205 R N -2.572 118.149 120.500 0.369 0.000 2.716 205 R HA 0.687 5.016 4.340 -0.017 0.000 0.271 205 R C -1.384 175.063 176.300 0.244 0.000 1.028 205 R CA -1.015 55.239 56.100 0.255 0.000 0.883 205 R CB 1.322 31.714 30.300 0.153 0.000 1.250 205 R HN 0.880 nan 8.270 nan 0.000 0.465 206 V N 0.998 120.965 119.914 0.087 0.000 2.394 206 V HA 0.337 4.447 4.120 -0.017 0.000 0.282 206 V C -0.139 175.891 176.094 -0.107 0.000 1.031 206 V CA -0.461 61.812 62.300 -0.044 0.000 0.881 206 V CB 1.246 32.969 31.823 -0.166 0.000 0.982 206 V HN 0.707 nan 8.190 nan 0.000 0.451 207 E N 3.105 123.223 120.200 -0.137 0.000 2.166 207 E HA 0.419 4.758 4.350 -0.017 0.000 0.275 207 E C -0.979 175.472 176.600 -0.248 0.000 0.941 207 E CA -0.692 55.641 56.400 -0.111 0.000 0.784 207 E CB 0.955 30.642 29.700 -0.021 0.000 1.115 207 E HN 0.703 nan 8.360 nan 0.000 0.399 208 H N 1.907 120.992 119.070 0.025 0.000 2.467 208 H HA 0.312 4.857 4.556 -0.017 0.000 0.326 208 H C 0.036 175.373 175.328 0.015 0.000 1.094 208 H CA -0.297 55.761 56.048 0.016 0.000 1.253 208 H CB 1.640 31.407 29.762 0.008 0.000 1.439 208 H HN 0.596 nan 8.280 nan 0.000 0.479 209 T N -1.344 113.281 114.554 0.117 0.000 2.742 209 T HA 0.216 4.556 4.350 -0.017 0.000 0.282 209 T C 1.267 176.006 174.700 0.064 0.000 1.025 209 T CA -0.756 61.387 62.100 0.071 0.000 1.020 209 T CB 1.126 70.019 68.868 0.042 0.000 1.317 209 T HN 0.356 nan 8.240 nan 0.000 0.538 210 S N 1.237 116.963 115.700 0.043 0.000 2.374 210 S HA -0.123 4.336 4.470 -0.017 0.000 0.227 210 S C 1.545 176.166 174.600 0.035 0.000 1.037 210 S CA 1.515 59.735 58.200 0.033 0.000 1.024 210 S CB -0.429 62.786 63.200 0.025 0.000 0.861 210 S HN 0.885 nan 8.310 nan 0.000 0.456 211 Q N 1.360 121.180 119.800 0.034 0.000 2.735 211 Q HA 0.488 4.817 4.340 -0.017 0.000 0.380 211 Q C 0.472 176.494 176.000 0.037 0.000 1.060 211 Q CA 0.155 55.977 55.803 0.032 0.000 1.025 211 Q CB -0.741 28.011 28.738 0.024 0.000 1.350 211 Q HN 0.368 nan 8.270 nan 0.000 0.424 212 G N 0.416 109.248 108.800 0.054 0.000 2.728 212 G HA2 0.025 3.975 3.960 -0.017 0.000 0.294 212 G HA3 0.025 3.975 3.960 -0.017 0.000 0.294 212 G C -0.627 174.310 174.900 0.061 0.000 1.342 212 G CA -0.416 44.724 45.100 0.068 0.000 0.866 212 G HN 0.934 nan 8.290 nan 0.000 0.534 213 A N 0.029 122.875 122.820 0.044 0.000 2.351 213 A HA 0.707 5.017 4.320 -0.017 0.000 0.257 213 A C 0.503 178.044 177.584 -0.071 0.000 1.087 213 A CA 0.465 52.448 52.037 -0.089 0.000 0.798 213 A CB 0.601 19.509 19.000 -0.154 0.000 1.033 213 A HN 0.774 nan 8.150 nan 0.000 0.488 214 K N 0.546 120.891 120.400 -0.092 0.000 2.443 214 K HA 0.206 4.515 4.320 -0.017 0.000 0.252 214 K C -1.878 174.758 176.600 0.059 0.000 0.933 214 K CA -0.368 55.911 56.287 -0.012 0.000 0.792 214 K CB 2.144 34.639 32.500 -0.008 0.000 1.185 214 K HN 0.739 nan 8.250 nan 0.000 0.425 215 W N 5.341 126.562 121.300 -0.131 0.000 2.308 215 W HA 0.347 4.997 4.660 -0.017 0.000 0.311 215 W C -0.654 175.810 176.519 -0.092 0.000 1.088 215 W CA -0.789 56.485 57.345 -0.118 0.000 1.309 215 W CB 0.166 29.542 29.460 -0.139 0.000 1.229 215 W HN 0.302 nan 8.180 nan 0.000 0.427 216 V N 2.774 122.745 119.914 0.096 0.000 3.126 216 V HA 0.600 4.710 4.120 -0.017 0.000 0.314 216 V C -0.011 176.066 176.094 -0.029 0.000 1.138 216 V CA -0.902 61.379 62.300 -0.031 0.000 1.034 216 V CB 2.027 33.859 31.823 0.015 0.000 1.075 216 V HN 0.475 nan 8.190 nan 0.000 0.442 217 D N 0.406 120.791 120.400 -0.026 0.000 2.772 217 D HA -0.141 4.489 4.640 -0.017 0.000 0.233 217 D C 0.548 176.859 176.300 0.018 0.000 1.143 217 D CA 1.487 55.494 54.000 0.013 0.000 0.700 217 D CB -1.373 39.456 40.800 0.049 0.000 1.076 217 D HN 1.277 nan 8.370 nan 0.000 0.430 218 T N -2.574 111.944 114.554 -0.059 0.000 2.899 218 T HA 0.465 4.804 4.350 -0.017 0.000 0.284 218 T C 0.468 175.224 174.700 0.094 0.000 1.004 218 T CA -0.679 61.396 62.100 -0.041 0.000 1.043 218 T CB 2.054 70.732 68.868 -0.317 0.000 1.013 218 T HN 0.018 nan 8.240 nan 0.000 0.518 219 Q N 0.803 120.728 119.800 0.210 0.000 2.243 219 Q HA 0.527 4.857 4.340 -0.017 0.000 0.252 219 Q C -0.845 175.266 176.000 0.186 0.000 0.909 219 Q CA -0.797 55.152 55.803 0.244 0.000 0.922 219 Q CB 1.657 30.622 28.738 0.379 0.000 1.215 219 Q HN 0.525 nan 8.270 nan 0.000 0.427 220 V N 3.398 123.372 119.914 0.101 0.000 2.427 220 V HA 0.353 4.463 4.120 -0.017 0.000 0.286 220 V C -0.229 175.913 176.094 0.080 0.000 1.034 220 V CA -0.608 61.660 62.300 -0.054 0.000 0.893 220 V CB 1.590 33.324 31.823 -0.148 0.000 0.982 220 V HN 0.488 nan 8.190 nan 0.000 0.452 221 V N 6.121 126.103 119.914 0.112 0.000 2.555 221 V HA 0.480 4.589 4.120 -0.017 0.000 0.302 221 V C -0.099 176.072 176.094 0.129 0.000 1.038 221 V CA -0.644 61.741 62.300 0.142 0.000 0.887 221 V CB 1.927 33.919 31.823 0.282 0.000 0.991 221 V HN 0.636 nan 8.190 nan 0.000 0.434 222 L N 3.648 124.940 121.223 0.116 0.000 2.350 222 L HA 0.722 5.052 4.340 -0.017 0.000 0.275 222 L C 0.436 177.478 176.870 0.286 0.000 1.099 222 L CA -0.306 54.614 54.840 0.134 0.000 0.808 222 L CB 1.316 43.432 42.059 0.095 0.000 1.149 222 L HN 0.747 nan 8.230 nan 0.000 0.442 223 A N 5.135 128.082 122.820 0.212 0.000 2.273 223 A HA 0.600 4.909 4.320 -0.017 0.000 0.315 223 A C -0.505 177.342 177.584 0.438 0.000 1.256 223 A CA -0.464 51.738 52.037 0.275 0.000 0.851 223 A CB 0.925 19.669 19.000 -0.426 0.000 1.172 223 A HN 0.784 nan 8.150 nan 0.000 0.508 224 M N 5.908 125.824 119.600 0.527 0.000 2.149 224 M HA 0.445 4.914 4.480 -0.017 0.000 0.342 224 M C -2.619 173.914 176.300 0.389 0.000 1.068 224 M CA -2.211 53.328 55.300 0.398 0.000 0.991 224 M CB 2.052 34.806 32.600 0.257 0.000 1.596 224 M HN 0.344 nan 8.290 nan 0.000 0.439 225 P HA 0.240 nan 4.420 nan 0.000 0.284 225 P C -1.912 175.263 177.300 -0.208 0.000 1.253 225 P CA 0.015 62.977 63.100 -0.230 0.000 0.800 225 P CB 0.449 31.833 31.700 -0.526 0.000 0.961 226 Y N 0.754 120.972 120.300 -0.137 0.000 2.331 226 Y HA 0.294 4.833 4.550 -0.017 0.000 0.334 226 Y C 0.291 176.154 175.900 -0.061 0.000 0.960 226 Y CA -0.333 57.744 58.100 -0.037 0.000 1.130 226 Y CB 1.195 39.669 38.460 0.024 0.000 1.164 226 Y HN 0.219 nan 8.280 nan 0.000 0.458 227 D N 2.189 122.664 120.400 0.124 0.000 2.225 227 D HA 0.333 4.962 4.640 -0.017 0.000 0.248 227 D C -0.489 176.011 176.300 0.333 0.000 1.096 227 D CA -0.079 54.036 54.000 0.192 0.000 0.863 227 D CB 1.616 42.543 40.800 0.211 0.000 1.156 227 D HN 0.378 nan 8.370 nan 0.000 0.450 228 T N 3.422 118.095 114.554 0.198 0.000 2.824 228 T HA 0.446 4.786 4.350 -0.017 0.000 0.282 228 T C -2.510 172.074 174.700 -0.194 0.000 0.993 228 T CA -1.485 60.650 62.100 0.059 0.000 0.967 228 T CB 2.039 70.929 68.868 0.037 0.000 0.960 228 T HN 0.170 nan 8.240 nan 0.000 0.441 229 P HA 0.301 nan 4.420 nan 0.000 0.276 229 P C -0.990 175.994 177.300 -0.527 0.000 1.230 229 P CA -0.377 62.097 63.100 -1.043 0.000 0.776 229 P CB 0.819 31.716 31.700 -1.338 0.000 0.888 230 V N 5.634 125.290 119.914 -0.430 0.000 2.305 230 V HA 0.262 4.372 4.120 -0.017 0.000 0.275 230 V C -2.081 173.876 176.094 -0.228 0.000 1.020 230 V CA -1.919 60.219 62.300 -0.269 0.000 0.811 230 V CB 1.359 33.070 31.823 -0.187 0.000 1.031 230 V HN 0.534 nan 8.190 nan 0.000 0.439 231 P HA 0.270 nan 4.420 nan 0.000 0.286 231 P C 0.420 177.664 177.300 -0.093 0.000 1.269 231 P CA 0.261 63.267 63.100 -0.157 0.000 0.787 231 P CB 1.550 33.155 31.700 -0.159 0.000 0.920 232 G N 2.575 111.337 108.800 -0.062 0.000 2.636 232 G HA2 0.059 4.008 3.960 -0.017 0.000 0.246 232 G HA3 0.059 4.008 3.960 -0.017 0.000 0.246 232 G C -1.050 173.857 174.900 0.013 0.000 1.216 232 G CA -0.521 44.571 45.100 -0.013 0.000 0.854 232 G HN 0.522 nan 8.290 nan 0.000 0.572 233 Y N 0.683 120.941 120.300 -0.071 0.000 2.674 233 Y HA 0.241 4.780 4.550 -0.018 0.000 0.354 233 Y C 1.239 177.098 175.900 -0.068 0.000 1.089 233 Y CA -0.219 57.836 58.100 -0.076 0.000 1.444 233 Y CB 0.069 38.483 38.460 -0.076 0.000 1.187 233 Y HN 0.714 nan 8.280 nan 0.000 0.523 234 R N 2.653 122.855 120.500 -0.497 0.000 3.610 234 R HA -0.321 4.009 4.340 -0.017 0.000 0.274 234 R C 0.081 176.238 176.300 -0.239 0.000 1.123 234 R CA 1.478 57.306 56.100 -0.453 0.000 0.747 234 R CB -1.921 27.948 30.300 -0.719 0.000 1.149 234 R HN 0.942 nan 8.270 nan 0.000 0.471 235 N N -1.288 117.324 118.700 -0.147 0.000 2.177 235 N HA 0.060 4.789 4.740 -0.017 0.000 0.218 235 N C -0.206 175.253 175.510 -0.084 0.000 1.182 235 N CA -0.330 52.666 53.050 -0.091 0.000 0.882 235 N CB 0.491 38.949 38.487 -0.047 0.000 1.052 235 N HN 0.080 nan 8.380 nan 0.000 0.519 236 N N -0.188 118.457 118.700 -0.091 0.000 2.713 236 N HA -0.139 4.590 4.740 -0.017 0.000 0.251 236 N C -0.962 174.504 175.510 -0.073 0.000 1.117 236 N CA 0.586 53.591 53.050 -0.075 0.000 0.770 236 N CB -1.347 37.099 38.487 -0.069 0.000 1.137 236 N HN 0.206 nan 8.380 nan 0.000 0.566 237 V N 1.135 121.008 119.914 -0.069 0.000 2.465 237 V HA 0.387 4.497 4.120 -0.017 0.000 0.279 237 V C 0.580 176.640 176.094 -0.056 0.000 1.045 237 V CA -0.471 61.794 62.300 -0.058 0.000 0.938 237 V CB 2.051 33.861 31.823 -0.022 0.000 0.986 237 V HN -0.029 nan 8.190 nan 0.000 0.467 238 V N 5.602 125.492 119.914 -0.041 0.000 2.380 238 V HA 0.432 4.542 4.120 -0.017 0.000 0.286 238 V C -0.050 176.041 176.094 -0.006 0.000 1.015 238 V CA -0.881 61.364 62.300 -0.091 0.000 0.834 238 V CB 1.412 33.142 31.823 -0.155 0.000 1.009 238 V HN 0.828 nan 8.190 nan 0.000 0.428 239 N N 2.018 120.682 118.700 -0.060 0.000 2.413 239 N HA 0.542 5.271 4.740 -0.017 0.000 0.266 239 N C -0.006 175.495 175.510 -0.014 0.000 1.238 239 N CA -0.259 52.778 53.050 -0.021 0.000 0.972 239 N CB 1.230 39.658 38.487 -0.099 0.000 1.210 239 N HN 0.578 nan 8.380 nan 0.000 0.547 240 T N 0.784 115.340 114.554 0.005 0.000 2.829 240 T HA 0.402 4.742 4.350 -0.017 0.000 0.280 240 T C -0.135 174.539 174.700 -0.043 0.000 0.999 240 T CA -0.510 61.666 62.100 0.126 0.000 0.983 240 T CB 1.001 70.058 68.868 0.315 0.000 0.968 240 T HN 0.301 nan 8.240 nan 0.000 0.446 241 M N 3.791 123.330 119.600 -0.102 0.000 2.101 241 M HA 0.493 4.963 4.480 -0.017 0.000 0.340 241 M C -0.507 175.639 176.300 -0.256 0.000 1.057 241 M CA -0.757 54.391 55.300 -0.254 0.000 0.984 241 M CB 0.762 33.147 32.600 -0.359 0.000 1.560 241 M HN 0.487 nan 8.290 nan 0.000 0.435 242 R N 5.832 126.063 120.500 -0.449 0.000 2.265 242 R HA 0.620 4.950 4.340 -0.017 0.000 0.328 242 R C -1.920 174.071 176.300 -0.515 0.000 0.969 242 R CA -0.417 55.356 56.100 -0.545 0.000 0.832 242 R CB 0.859 30.631 30.300 -0.880 0.000 1.139 242 R HN 0.813 nan 8.270 nan 0.000 0.457 243 L N 5.121 126.155 121.223 -0.315 0.000 2.322 243 L HA 0.489 4.819 4.340 -0.017 0.000 0.281 243 L C -0.823 175.997 176.870 -0.084 0.000 1.014 243 L CA -0.891 53.869 54.840 -0.133 0.000 0.815 243 L CB 1.472 43.547 42.059 0.027 0.000 1.247 243 L HN 0.587 nan 8.230 nan 0.000 0.421 244 W N 1.981 123.399 121.300 0.197 0.000 2.315 244 W HA 0.469 5.119 4.660 -0.017 0.000 0.316 244 W C 0.564 177.319 176.519 0.392 0.000 1.211 244 W CA -0.152 57.330 57.345 0.229 0.000 1.201 244 W CB 1.484 30.924 29.460 -0.033 0.000 1.184 244 W HN 0.344 nan 8.180 nan 0.000 0.544 245 S N 1.786 117.907 115.700 0.701 0.000 2.503 245 S HA 0.782 5.242 4.470 -0.017 0.000 0.301 245 S C -0.484 174.475 174.600 0.600 0.000 1.087 245 S CA -0.716 57.812 58.200 0.546 0.000 1.042 245 S CB 0.708 64.186 63.200 0.463 0.000 1.043 245 S HN 0.505 nan 8.310 nan 0.000 0.489 246 A N 4.669 127.672 122.820 0.305 0.000 2.320 246 A HA 0.682 4.992 4.320 -0.017 0.000 0.287 246 A C -0.236 177.404 177.584 0.094 0.000 1.181 246 A CA -0.378 51.723 52.037 0.106 0.000 0.831 246 A CB 0.382 19.164 19.000 -0.364 0.000 1.102 246 A HN 0.629 nan 8.150 nan 0.000 0.513 247 K N 1.190 121.655 120.400 0.109 0.000 2.422 247 K HA 0.625 4.934 4.320 -0.017 0.000 0.251 247 K C -0.373 176.206 176.600 -0.034 0.000 0.933 247 K CA -0.442 55.872 56.287 0.045 0.000 0.798 247 K CB 2.240 34.797 32.500 0.095 0.000 1.238 247 K HN 0.830 nan 8.250 nan 0.000 0.428 248 A N 4.132 126.875 122.820 -0.127 0.000 2.388 248 A HA 0.439 4.749 4.320 -0.017 0.000 0.257 248 A C -2.080 175.464 177.584 -0.067 0.000 1.095 248 A CA -0.935 50.956 52.037 -0.243 0.000 0.791 248 A CB -0.341 18.386 19.000 -0.454 0.000 1.029 248 A HN 0.352 nan 8.150 nan 0.000 0.489 249 P HA 0.144 nan 4.420 nan 0.000 0.274 249 P C 0.019 177.387 177.300 0.114 0.000 1.237 249 P CA -0.482 62.659 63.100 0.068 0.000 0.793 249 P CB 0.609 32.363 31.700 0.090 0.000 0.977 250 N N 0.784 119.540 118.700 0.093 0.000 2.512 250 N HA -0.097 4.633 4.740 -0.017 0.000 0.183 250 N C 0.616 176.194 175.510 0.114 0.000 1.073 250 N CA 0.896 54.004 53.050 0.096 0.000 0.911 250 N CB -0.328 38.201 38.487 0.069 0.000 0.964 250 N HN 0.539 nan 8.380 nan 0.000 0.447 251 D N -0.973 119.498 120.400 0.119 0.000 2.340 251 D HA -0.050 4.579 4.640 -0.017 0.000 0.217 251 D C 0.180 176.550 176.300 0.116 0.000 1.081 251 D CA -0.571 53.489 54.000 0.101 0.000 0.842 251 D CB -0.912 39.931 40.800 0.071 0.000 0.934 251 D HN 0.014 nan 8.370 nan 0.000 0.511 252 F N 2.065 122.026 119.950 0.017 0.000 2.602 252 F HA 0.070 4.587 4.527 -0.017 0.000 0.385 252 F C 0.860 176.661 175.800 0.002 0.000 1.063 252 F CA 0.247 58.253 58.000 0.011 0.000 1.233 252 F CB 0.134 39.141 39.000 0.011 0.000 1.067 252 F HN -0.155 nan 8.300 nan 0.000 0.564 253 N N 2.066 120.344 118.700 -0.704 0.000 2.857 253 N HA -0.297 4.433 4.740 -0.017 0.000 0.242 253 N C -0.464 174.930 175.510 -0.193 0.000 0.983 253 N CA 1.619 54.370 53.050 -0.498 0.000 0.934 253 N CB -1.207 36.986 38.487 -0.490 0.000 1.115 253 N HN 0.548 nan 8.380 nan 0.000 0.593 262 Y N 1.883 122.182 120.300 -0.003 0.000 2.145 262 Y HA 0.035 4.575 4.550 -0.017 0.000 0.286 262 Y C 2.705 178.611 175.900 0.010 0.000 1.145 262 Y CA 2.117 60.218 58.100 0.003 0.000 1.148 262 Y CB -0.127 38.335 38.460 0.004 0.000 0.981 262 Y HN 0.193 nan 8.280 nan 0.000 0.507 263 I N 0.622 121.136 120.570 -0.094 0.000 2.127 263 I HA -0.331 3.829 4.170 -0.017 0.000 0.241 263 I C 2.373 178.392 176.117 -0.163 0.000 1.075 263 I CA 1.575 62.773 61.300 -0.170 0.000 1.334 263 I CB -1.441 36.559 38.000 -0.001 0.000 1.040 263 I HN 0.385 nan 8.210 nan 0.000 0.405 264 Q N 0.421 120.171 119.800 -0.082 0.000 2.135 264 Q HA -0.140 4.190 4.340 -0.017 0.000 0.204 264 Q C 2.388 178.346 176.000 -0.071 0.000 0.981 264 Q CA 1.854 57.623 55.803 -0.057 0.000 0.856 264 Q CB -0.390 28.329 28.738 -0.030 0.000 0.902 264 Q HN 0.566 nan 8.270 nan 0.000 0.425 265 A N 0.134 122.890 122.820 -0.105 0.000 1.908 265 A HA -0.146 4.163 4.320 -0.017 0.000 0.218 265 A C 2.417 179.959 177.584 -0.070 0.000 1.181 265 A CA 1.690 53.666 52.037 -0.101 0.000 0.627 265 A CB -0.673 18.264 19.000 -0.106 0.000 0.818 265 A HN 0.226 nan 8.150 nan 0.000 0.445 266 V N 0.098 119.901 119.914 -0.186 0.000 2.358 266 V HA -0.231 3.879 4.120 -0.017 0.000 0.246 266 V C 2.505 178.575 176.094 -0.039 0.000 1.047 266 V CA 1.867 64.082 62.300 -0.142 0.000 1.035 266 V CB -0.729 30.917 31.823 -0.296 0.000 0.658 266 V HN 0.569 nan 8.190 nan 0.000 0.452 267 L N -0.259 120.936 121.223 -0.047 0.000 2.201 267 L HA -0.118 4.211 4.340 -0.017 0.000 0.212 267 L C 2.006 178.901 176.870 0.042 0.000 1.105 267 L CA 1.112 55.948 54.840 -0.005 0.000 0.775 267 L CB -0.628 41.422 42.059 -0.015 0.000 0.913 267 L HN 0.329 nan 8.230 nan 0.000 0.440 268 D N 0.038 120.487 120.400 0.080 0.000 2.363 268 D HA -0.069 4.561 4.640 -0.017 0.000 0.220 268 D C 2.134 178.630 176.300 0.328 0.000 0.994 268 D CA 0.418 54.519 54.000 0.168 0.000 0.890 268 D CB 0.001 40.883 40.800 0.137 0.000 0.906 268 D HN 0.235 nan 8.370 nan 0.000 0.530 269 R N 1.224 121.876 120.500 0.252 0.000 2.139 269 R HA -0.153 4.177 4.340 -0.017 0.000 0.243 269 R C 1.912 178.155 176.300 -0.095 0.000 1.145 269 R CA 1.211 57.327 56.100 0.026 0.000 0.976 269 R CB -0.378 29.932 30.300 0.017 0.000 0.866 269 R HN 0.277 nan 8.270 nan 0.000 0.449 270 N N 1.360 120.058 118.700 -0.004 0.000 2.132 270 N HA -0.217 4.513 4.740 -0.017 0.000 0.191 270 N C 1.457 176.953 175.510 -0.024 0.000 1.015 270 N CA 1.557 54.601 53.050 -0.009 0.000 0.864 270 N CB -0.364 38.134 38.487 0.019 0.000 1.006 270 N HN 0.108 nan 8.380 nan 0.000 0.430 271 L N 1.041 122.268 121.223 0.007 0.000 1.989 271 L HA -0.013 4.317 4.340 -0.017 0.000 0.211 271 L C 2.875 179.704 176.870 -0.069 0.000 1.071 271 L CA 1.754 56.604 54.840 0.016 0.000 0.749 271 L CB -1.610 40.522 42.059 0.122 0.000 0.890 271 L HN 0.388 nan 8.230 nan 0.000 0.431 272 A N -0.843 121.856 122.820 -0.202 0.000 1.902 272 A HA -0.193 4.117 4.320 -0.017 0.000 0.217 272 A C 2.118 179.578 177.584 -0.207 0.000 1.181 272 A CA 1.567 53.440 52.037 -0.273 0.000 0.623 272 A CB -0.482 18.186 19.000 -0.552 0.000 0.818 272 A HN 0.554 nan 8.150 nan 0.000 0.443 273 E N -0.071 120.029 120.200 -0.168 0.000 2.427 273 E HA -0.066 4.273 4.350 -0.017 0.000 0.196 273 E C 1.011 177.573 176.600 -0.062 0.000 1.028 273 E CA 0.197 56.534 56.400 -0.105 0.000 0.864 273 E CB -0.136 29.525 29.700 -0.064 0.000 0.813 273 E HN 0.470 nan 8.360 nan 0.000 0.514 274 N N 1.070 119.738 118.700 -0.052 0.000 2.443 274 N HA -0.089 4.641 4.740 -0.017 0.000 0.184 274 N C 1.623 177.126 175.510 -0.012 0.000 1.037 274 N CA 0.607 53.654 53.050 -0.006 0.000 0.896 274 N CB -0.040 38.448 38.487 0.003 0.000 0.959 274 N HN 0.255 nan 8.380 nan 0.000 0.442 275 I N 0.445 120.949 120.570 -0.110 0.000 2.194 275 I HA -0.262 3.897 4.170 -0.017 0.000 0.246 275 I C 1.440 177.519 176.117 -0.064 0.000 1.093 275 I CA 1.332 62.534 61.300 -0.162 0.000 1.355 275 I CB -0.176 37.564 38.000 -0.433 0.000 1.046 275 I HN 0.138 nan 8.210 nan 0.000 0.413 276 S N -0.641 115.020 115.700 -0.065 0.000 2.574 276 S HA 0.195 4.655 4.470 -0.017 0.000 0.242 276 S C 1.448 176.186 174.600 0.230 0.000 0.982 276 S CA -0.557 57.697 58.200 0.090 0.000 0.977 276 S CB 0.272 63.508 63.200 0.061 0.000 0.814 276 S HN 0.208 nan 8.310 nan 0.000 0.464 277 R N 1.202 121.838 120.500 0.226 0.000 2.075 277 R HA 0.291 4.621 4.340 -0.017 0.000 0.226 277 R C 0.326 176.876 176.300 0.417 0.000 1.114 277 R CA 1.053 57.325 56.100 0.287 0.000 0.972 277 R CB -0.168 30.265 30.300 0.222 0.000 0.869 277 R HN 0.388 nan 8.270 nan 0.000 0.437 278 V N 0.598 120.717 119.914 0.341 0.000 2.851 278 V HA 0.344 4.454 4.120 -0.017 0.000 0.307 278 V C -1.563 174.488 176.094 -0.072 0.000 1.129 278 V CA -1.376 61.041 62.300 0.194 0.000 0.932 278 V CB 1.747 33.605 31.823 0.058 0.000 1.024 278 V HN 0.158 nan 8.190 nan 0.000 0.426 279 L N 7.206 128.164 121.223 -0.441 0.000 2.410 279 L HA 0.435 4.765 4.340 -0.017 0.000 0.273 279 L C -0.801 175.898 176.870 -0.286 0.000 1.144 279 L CA 0.500 54.871 54.840 -0.781 0.000 0.863 279 L CB 0.329 41.889 42.059 -0.831 0.000 1.140 279 L HN 0.674 nan 8.230 nan 0.000 0.463 280 Y N 7.219 127.416 120.300 -0.172 0.000 2.569 280 Y HA 0.177 4.716 4.550 -0.018 0.000 0.332 280 Y C -1.294 174.598 175.900 -0.015 0.000 1.120 280 Y CA -1.138 56.941 58.100 -0.034 0.000 1.416 280 Y CB 0.296 38.763 38.460 0.012 0.000 1.210 280 Y HN 0.592 nan 8.280 nan 0.000 0.528 281 P HA 0.001 nan 4.420 nan 0.000 0.257 281 P C -0.784 176.655 177.300 0.232 0.000 1.325 281 P CA 0.225 63.438 63.100 0.188 0.000 0.850 281 P CB 0.273 32.175 31.700 0.336 0.000 1.324 282 N N 2.435 121.285 118.700 0.249 0.000 2.422 282 N HA 0.112 4.841 4.740 -0.017 0.000 0.264 282 N C -0.104 175.562 175.510 0.259 0.000 1.063 282 N CA 0.167 53.384 53.050 0.278 0.000 0.959 282 N CB 1.119 39.801 38.487 0.325 0.000 1.087 282 N HN 0.239 nan 8.380 nan 0.000 0.483 283 D N 0.431 121.018 120.400 0.312 0.000 2.299 283 D HA 0.193 4.823 4.640 -0.017 0.000 0.243 283 D C 0.150 176.682 176.300 0.387 0.000 0.982 283 D CA -0.564 53.623 54.000 0.311 0.000 0.924 283 D CB 0.542 41.528 40.800 0.309 0.000 1.238 283 D HN 0.214 nan 8.370 nan 0.000 0.484 284 N N -0.553 118.312 118.700 0.274 0.000 2.701 284 N HA -0.247 4.483 4.740 -0.017 0.000 0.252 284 N C -1.013 174.705 175.510 0.345 0.000 1.002 284 N CA 0.838 54.027 53.050 0.231 0.000 0.758 284 N CB -1.049 37.499 38.487 0.102 0.000 0.937 284 N HN 0.477 nan 8.380 nan 0.000 0.538 285 F N -0.204 119.837 119.950 0.151 0.000 2.665 285 F HA 0.530 5.047 4.527 -0.018 0.000 0.308 285 F C -1.668 174.219 175.800 0.144 0.000 1.112 285 F CA -1.289 56.777 58.000 0.109 0.000 0.972 285 F CB 1.125 40.148 39.000 0.038 0.000 1.295 285 F HN -0.081 nan 8.300 nan 0.000 0.440 286 F N 4.517 123.871 119.950 -0.994 0.000 2.482 286 F HA 0.588 5.105 4.527 -0.017 0.000 0.331 286 F C -0.968 174.354 175.800 -0.796 0.000 1.115 286 F CA -0.206 57.369 58.000 -0.708 0.000 0.955 286 F CB 1.245 39.924 39.000 -0.535 0.000 1.136 286 F HN 0.568 nan 8.300 nan 0.000 0.452 287 E N 3.475 122.915 120.200 -1.268 0.000 2.216 287 E HA 0.344 4.683 4.350 -0.017 0.000 0.260 287 E C -0.372 175.436 176.600 -1.320 0.000 0.880 287 E CA -0.810 55.018 56.400 -0.954 0.000 0.765 287 E CB 1.629 31.163 29.700 -0.277 0.000 1.174 287 E HN 0.903 nan 8.360 nan 0.000 0.417 288 G N 4.921 113.027 108.800 -1.158 0.000 3.213 288 G HA2 0.055 4.005 3.960 -0.017 0.000 0.263 288 G HA3 0.055 4.005 3.960 -0.017 0.000 0.263 288 G C -0.095 174.784 174.900 -0.035 0.000 0.829 288 G CA -0.223 44.443 45.100 -0.722 0.000 1.983 288 G HN 0.158 nan 8.290 nan 0.000 0.616 289 K N 0.617 121.034 120.400 0.029 0.000 2.156 289 K HA 0.181 4.490 4.320 -0.017 0.000 0.271 289 K C 0.930 177.664 176.600 0.224 0.000 0.995 289 K CA -0.625 55.746 56.287 0.139 0.000 0.890 289 K CB 2.343 34.917 32.500 0.123 0.000 1.073 289 K HN 0.463 nan 8.250 nan 0.000 0.454 290 E N 1.875 122.172 120.200 0.162 0.000 2.085 290 E HA -0.211 4.129 4.350 -0.017 0.000 0.194 290 E C 1.512 178.135 176.600 0.038 0.000 0.994 290 E CA 0.997 57.444 56.400 0.078 0.000 0.801 290 E CB 0.176 29.926 29.700 0.084 0.000 0.743 290 E HN 0.412 nan 8.360 nan 0.000 0.453 291 L N 1.349 122.638 121.223 0.110 0.000 2.042 291 L HA -0.183 4.147 4.340 -0.017 0.000 0.210 291 L C 2.478 179.436 176.870 0.147 0.000 1.076 291 L CA 1.822 56.744 54.840 0.137 0.000 0.749 291 L CB -0.521 41.683 42.059 0.243 0.000 0.893 291 L HN 0.012 nan 8.230 nan 0.000 0.432 292 R N -0.629 119.911 120.500 0.067 0.000 2.096 292 R HA -0.161 4.169 4.340 -0.017 0.000 0.235 292 R C 2.100 178.431 176.300 0.052 0.000 1.127 292 R CA 1.816 57.875 56.100 -0.068 0.000 0.968 292 R CB -1.022 29.017 30.300 -0.435 0.000 0.861 292 R HN 0.413 nan 8.270 nan 0.000 0.440 293 L N 0.894 122.053 121.223 -0.106 0.000 2.046 293 L HA -0.079 4.251 4.340 -0.017 0.000 0.208 293 L C 1.695 178.505 176.870 -0.099 0.000 1.077 293 L CA 1.904 56.485 54.840 -0.432 0.000 0.747 293 L CB -0.404 41.124 42.059 -0.884 0.000 0.896 293 L HN 0.156 nan 8.230 nan 0.000 0.432 294 K N -1.026 119.362 120.400 -0.019 0.000 2.097 294 K HA -0.195 4.114 4.320 -0.017 0.000 0.206 294 K C 2.076 178.840 176.600 0.274 0.000 1.049 294 K CA 1.692 58.041 56.287 0.103 0.000 0.933 294 K CB -0.169 32.209 32.500 -0.204 0.000 0.717 294 K HN 0.518 nan 8.250 nan 0.000 0.442 295 Q N 0.636 120.564 119.800 0.213 0.000 2.084 295 Q HA -0.175 4.154 4.340 -0.017 0.000 0.202 295 Q C 1.928 178.128 176.000 0.334 0.000 0.978 295 Q CA 1.386 57.373 55.803 0.307 0.000 0.844 295 Q CB 0.007 28.944 28.738 0.331 0.000 0.898 295 Q HN 0.386 nan 8.270 nan 0.000 0.426 296 E N -0.173 120.174 120.200 0.246 0.000 2.077 296 E HA -0.210 4.130 4.350 -0.017 0.000 0.193 296 E C 1.729 178.441 176.600 0.187 0.000 0.989 296 E CA 1.014 57.541 56.400 0.211 0.000 0.800 296 E CB -0.134 29.669 29.700 0.172 0.000 0.746 296 E HN 0.323 nan 8.360 nan 0.000 0.452 297 Y N 0.436 120.782 120.300 0.076 0.000 2.263 297 Y HA -0.201 4.338 4.550 -0.017 0.000 0.292 297 Y C 1.982 177.914 175.900 0.053 0.000 1.130 297 Y CA 1.029 59.129 58.100 0.000 0.000 1.179 297 Y CB -0.342 38.085 38.460 -0.057 0.000 0.998 297 Y HN 0.015 nan 8.280 nan 0.000 0.532 298 F N -0.390 119.561 119.950 0.003 0.000 2.095 298 F HA -0.234 4.282 4.527 -0.017 0.000 0.298 298 F C 2.425 178.083 175.800 -0.238 0.000 1.104 298 F CA 1.978 59.931 58.000 -0.077 0.000 1.232 298 F CB -1.009 38.096 39.000 0.175 0.000 0.987 298 F HN -0.064 nan 8.300 nan 0.000 0.475 299 V N -0.587 119.279 119.914 -0.080 0.000 2.453 299 V HA -0.171 3.938 4.120 -0.017 0.000 0.247 299 V C 2.162 178.108 176.094 -0.246 0.000 1.048 299 V CA 1.778 63.996 62.300 -0.136 0.000 1.049 299 V CB -0.262 31.686 31.823 0.208 0.000 0.672 299 V HN 0.261 nan 8.190 nan 0.000 0.457 300 V N 0.339 120.109 119.914 -0.240 0.000 2.323 300 V HA -0.140 3.969 4.120 -0.017 0.000 0.244 300 V C 2.784 178.623 176.094 -0.424 0.000 1.041 300 V CA 2.037 64.184 62.300 -0.254 0.000 1.025 300 V CB -0.913 30.814 31.823 -0.159 0.000 0.656 300 V HN 0.626 nan 8.190 nan 0.000 0.451 301 A N -0.182 122.216 122.820 -0.704 0.000 1.902 301 A HA -0.098 4.211 4.320 -0.017 0.000 0.217 301 A C 2.381 179.599 177.584 -0.610 0.000 1.181 301 A CA 2.100 53.712 52.037 -0.708 0.000 0.623 301 A CB -0.756 17.592 19.000 -1.087 0.000 0.818 301 A HN 0.560 nan 8.150 nan 0.000 0.443 302 A N -1.102 121.201 122.820 -0.862 0.000 1.898 302 A HA -0.036 4.274 4.320 -0.017 0.000 0.216 302 A C 2.307 179.404 177.584 -0.811 0.000 1.181 302 A CA 2.187 53.528 52.037 -1.159 0.000 0.620 302 A CB -1.231 16.430 19.000 -2.232 0.000 0.819 302 A HN 0.419 nan 8.150 nan 0.000 0.442 303 T N 0.537 114.762 114.554 -0.548 0.000 2.708 303 T HA -0.102 4.237 4.350 -0.017 0.000 0.266 303 T C 1.825 176.272 174.700 -0.423 0.000 1.037 303 T CA 1.484 63.385 62.100 -0.331 0.000 1.146 303 T CB -0.389 68.280 68.868 -0.331 0.000 0.865 303 T HN 0.333 nan 8.240 nan 0.000 0.435 304 L N 0.725 121.739 121.223 -0.348 0.000 2.083 304 L HA -0.157 4.172 4.340 -0.017 0.000 0.209 304 L C 2.909 179.668 176.870 -0.184 0.000 1.083 304 L CA 1.367 56.050 54.840 -0.261 0.000 0.752 304 L CB -0.517 41.427 42.059 -0.191 0.000 0.899 304 L HN 0.361 nan 8.230 nan 0.000 0.433 305 Q N -0.657 119.036 119.800 -0.178 0.000 2.124 305 Q HA -0.240 4.089 4.340 -0.017 0.000 0.202 305 Q C 1.720 177.697 176.000 -0.039 0.000 0.977 305 Q CA 1.585 57.334 55.803 -0.089 0.000 0.850 305 Q CB -0.137 28.539 28.738 -0.103 0.000 0.901 305 Q HN 0.398 nan 8.270 nan 0.000 0.429 306 D N 0.665 121.032 120.400 -0.055 0.000 2.117 306 D HA -0.094 4.536 4.640 -0.017 0.000 0.197 306 D C 1.678 177.927 176.300 -0.086 0.000 0.987 306 D CA 0.840 54.851 54.000 0.019 0.000 0.829 306 D CB -0.010 40.895 40.800 0.174 0.000 0.961 306 D HN 0.162 nan 8.370 nan 0.000 0.460 307 I N 0.007 120.419 120.570 -0.263 0.000 2.142 307 I HA -0.242 3.917 4.170 -0.017 0.000 0.240 307 I C 2.274 178.393 176.117 0.003 0.000 1.078 307 I CA 0.748 61.835 61.300 -0.354 0.000 1.343 307 I CB -0.127 37.513 38.000 -0.600 0.000 1.046 307 I HN 0.019 nan 8.210 nan 0.000 0.405 308 I N 0.293 120.923 120.570 0.101 0.000 2.179 308 I HA -0.301 3.858 4.170 -0.017 0.000 0.242 308 I C 2.755 179.034 176.117 0.270 0.000 1.088 308 I CA 1.253 62.728 61.300 0.292 0.000 1.357 308 I CB -0.380 37.753 38.000 0.222 0.000 1.051 308 I HN 0.154 nan 8.210 nan 0.000 0.409 309 R N 1.054 121.646 120.500 0.153 0.000 2.094 309 R HA -0.251 4.079 4.340 -0.017 0.000 0.239 309 R C 2.512 178.890 176.300 0.129 0.000 1.137 309 R CA 1.947 58.126 56.100 0.130 0.000 0.943 309 R CB -0.310 30.053 30.300 0.105 0.000 0.850 309 R HN 0.187 nan 8.270 nan 0.000 0.433 310 R N -0.699 119.871 120.500 0.118 0.000 2.096 310 R HA -0.176 4.154 4.340 -0.017 0.000 0.235 310 R C 2.170 178.561 176.300 0.151 0.000 1.127 310 R CA 1.760 57.932 56.100 0.120 0.000 0.968 310 R CB -0.384 29.973 30.300 0.094 0.000 0.861 310 R HN 0.329 nan 8.270 nan 0.000 0.440 311 F N 1.412 121.389 119.950 0.045 0.000 2.146 311 F HA -0.108 4.409 4.527 -0.018 0.000 0.298 311 F C 1.646 177.446 175.800 -0.000 0.000 1.096 311 F CA 1.547 59.560 58.000 0.022 0.000 1.275 311 F CB 0.026 39.071 39.000 0.075 0.000 1.008 311 F HN -0.132 nan 8.300 nan 0.000 0.480 312 K N -0.343 120.020 120.400 -0.061 0.000 2.283 312 K HA -0.007 4.302 4.320 -0.017 0.000 0.202 312 K C 1.285 177.797 176.600 -0.147 0.000 1.048 312 K CA 1.091 57.269 56.287 -0.182 0.000 0.948 312 K CB -0.178 32.329 32.500 0.011 0.000 0.742 312 K HN 0.102 nan 8.250 nan 0.000 0.458 313 S N 1.061 116.730 115.700 -0.051 0.000 2.677 313 S HA 0.138 4.597 4.470 -0.017 0.000 0.246 313 S C 0.006 174.600 174.600 -0.009 0.000 1.005 313 S CA -0.329 57.882 58.200 0.019 0.000 1.062 313 S CB 0.287 63.556 63.200 0.115 0.000 0.778 313 S HN 0.100 nan 8.310 nan 0.000 0.461 325 N N 0.735 119.415 118.700 -0.032 0.000 2.558 325 N HA 0.305 5.034 4.740 -0.017 0.000 0.233 325 N C -0.533 175.035 175.510 0.096 0.000 1.038 325 N CA -0.101 52.987 53.050 0.063 0.000 0.934 325 N CB 0.281 38.798 38.487 0.050 0.000 1.175 325 N HN 0.129 nan 8.380 nan 0.000 0.512 326 F N 1.879 121.939 119.950 0.184 0.000 2.789 326 F HA 0.110 4.627 4.527 -0.017 0.000 0.300 326 F C 1.367 177.232 175.800 0.109 0.000 1.132 326 F CA 0.043 58.125 58.000 0.136 0.000 1.404 326 F CB 0.378 39.347 39.000 -0.051 0.000 1.114 326 F HN 0.477 nan 8.300 nan 0.000 0.584 327 D N 0.434 120.975 120.400 0.235 0.000 2.182 327 D HA -0.187 4.442 4.640 -0.017 0.000 0.201 327 D C 2.181 178.574 176.300 0.155 0.000 0.986 327 D CA 1.314 55.409 54.000 0.158 0.000 0.847 327 D CB -0.102 40.766 40.800 0.114 0.000 0.942 327 D HN 0.245 nan 8.370 nan 0.000 0.467 328 A N -0.582 122.355 122.820 0.196 0.000 2.218 328 A HA 0.069 4.378 4.320 -0.017 0.000 0.209 328 A C 1.597 179.300 177.584 0.199 0.000 1.168 328 A CA -0.177 51.974 52.037 0.189 0.000 0.804 328 A CB -0.762 18.355 19.000 0.196 0.000 0.834 328 A HN 0.226 nan 8.150 nan 0.000 0.482 329 F N 1.898 121.817 119.950 -0.051 0.000 2.043 329 F HA -0.175 4.342 4.527 -0.017 0.000 0.297 329 F C -0.753 174.946 175.800 -0.167 0.000 1.118 329 F CA 2.741 60.508 58.000 -0.388 0.000 1.202 329 F CB -0.706 38.062 39.000 -0.386 0.000 0.965 329 F HN 0.199 nan 8.300 nan 0.000 0.482 330 P HA -0.099 nan 4.420 nan 0.000 0.225 330 P C 0.730 177.996 177.300 -0.055 0.000 1.148 330 P CA 1.517 64.603 63.100 -0.024 0.000 0.779 330 P CB -0.083 31.629 31.700 0.019 0.000 0.780 331 D N -0.808 119.578 120.400 -0.025 0.000 2.277 331 D HA -0.036 4.593 4.640 -0.017 0.000 0.208 331 D C 1.514 177.800 176.300 -0.022 0.000 0.962 331 D CA 0.925 54.919 54.000 -0.009 0.000 0.865 331 D CB 0.067 40.880 40.800 0.022 0.000 0.939 331 D HN 0.166 nan 8.370 nan 0.000 0.510 332 K N 0.113 120.479 120.400 -0.057 0.000 2.373 332 K HA 0.203 4.513 4.320 -0.017 0.000 0.200 332 K C -0.046 176.472 176.600 -0.137 0.000 1.054 332 K CA 0.080 56.342 56.287 -0.042 0.000 1.065 332 K CB 2.288 34.858 32.500 0.117 0.000 0.886 332 K HN -0.051 nan 8.250 nan 0.000 0.546 333 V N 1.058 120.806 119.914 -0.276 0.000 2.623 333 V HA 0.576 4.686 4.120 -0.017 0.000 0.304 333 V C -1.023 174.990 176.094 -0.136 0.000 1.054 333 V CA -1.262 60.875 62.300 -0.271 0.000 0.882 333 V CB 1.786 33.166 31.823 -0.739 0.000 1.002 333 V HN 0.108 nan 8.190 nan 0.000 0.424 334 A N 5.755 128.541 122.820 -0.056 0.000 2.343 334 A HA 0.927 5.236 4.320 -0.017 0.000 0.316 334 A C -0.902 176.708 177.584 0.043 0.000 1.104 334 A CA -0.505 51.529 52.037 -0.004 0.000 0.768 334 A CB 0.968 19.915 19.000 -0.088 0.000 1.213 334 A HN 0.777 nan 8.150 nan 0.000 0.456 335 I N 1.918 122.557 120.570 0.114 0.000 2.382 335 I HA 0.282 4.442 4.170 -0.017 0.000 0.286 335 I C -0.278 175.927 176.117 0.147 0.000 1.002 335 I CA -0.547 60.830 61.300 0.128 0.000 1.135 335 I CB 1.838 39.895 38.000 0.095 0.000 1.288 335 I HN 0.688 nan 8.210 nan 0.000 0.448 336 Q N 6.682 126.568 119.800 0.143 0.000 2.303 336 Q HA 0.508 4.837 4.340 -0.017 0.000 0.257 336 Q C -1.287 174.722 176.000 0.015 0.000 0.941 336 Q CA -0.218 55.699 55.803 0.190 0.000 0.931 336 Q CB 1.306 30.269 28.738 0.374 0.000 1.215 336 Q HN 0.569 nan 8.270 nan 0.000 0.437 337 L N 3.809 125.076 121.223 0.072 0.000 2.255 337 L HA 0.407 4.736 4.340 -0.017 0.000 0.289 337 L C -0.026 176.878 176.870 0.056 0.000 1.046 337 L CA -0.758 54.112 54.840 0.051 0.000 0.816 337 L CB 0.768 42.896 42.059 0.116 0.000 1.197 337 L HN 0.557 nan 8.230 nan 0.000 0.427 338 N N 4.556 123.212 118.700 -0.075 0.000 2.448 338 N HA 0.053 4.782 4.740 -0.017 0.000 0.250 338 N C -0.051 175.482 175.510 0.039 0.000 1.136 338 N CA 0.502 53.553 53.050 0.001 0.000 0.953 338 N CB -0.034 38.357 38.487 -0.159 0.000 1.251 338 N HN 0.652 nan 8.380 nan 0.000 0.502 339 D N -0.067 120.452 120.400 0.199 0.000 3.841 339 D HA -0.241 4.388 4.640 -0.017 0.000 0.276 339 D C 0.240 176.614 176.300 0.123 0.000 2.088 339 D CA 1.661 55.757 54.000 0.161 0.000 1.152 339 D CB -0.454 40.232 40.800 -0.190 0.000 0.944 339 D HN 0.528 nan 8.370 nan 0.000 1.144 340 T N -2.534 112.000 114.554 -0.032 0.000 3.129 340 T HA 0.079 4.418 4.350 -0.017 0.000 0.251 340 T C 1.576 176.303 174.700 0.045 0.000 1.117 340 T CA 1.426 63.494 62.100 -0.054 0.000 1.034 340 T CB -0.484 68.333 68.868 -0.086 0.000 0.968 340 T HN 0.482 nan 8.240 nan 0.000 0.526 341 H N 2.600 121.751 119.070 0.135 0.000 2.387 341 H HA 0.010 4.556 4.556 -0.017 0.000 0.299 341 H C -0.900 174.511 175.328 0.138 0.000 1.099 341 H CA 0.965 57.108 56.048 0.158 0.000 1.315 341 H CB -0.910 28.947 29.762 0.158 0.000 1.380 341 H HN 0.441 nan 8.280 nan 0.000 0.513 342 P HA 0.089 nan 4.420 nan 0.000 0.254 342 P C 0.684 178.020 177.300 0.062 0.000 1.620 342 P CA 0.305 63.477 63.100 0.121 0.000 1.050 342 P CB 0.366 32.127 31.700 0.102 0.000 1.539 343 S N -0.342 115.387 115.700 0.048 0.000 2.440 343 S HA -0.124 4.336 4.470 -0.017 0.000 0.238 343 S C 1.735 176.332 174.600 -0.005 0.000 1.010 343 S CA 0.747 58.938 58.200 -0.016 0.000 0.972 343 S CB -1.442 61.722 63.200 -0.060 0.000 0.774 343 S HN 0.151 nan 8.310 nan 0.000 0.501 344 L N 0.986 122.220 121.223 0.019 0.000 2.450 344 L HA 0.006 4.335 4.340 -0.017 0.000 0.224 344 L C 2.957 179.850 176.870 0.037 0.000 1.149 344 L CA 0.643 55.492 54.840 0.016 0.000 0.816 344 L CB -0.779 41.289 42.059 0.015 0.000 0.932 344 L HN 0.477 nan 8.230 nan 0.000 0.449 345 A N 0.585 123.412 122.820 0.012 0.000 1.986 345 A HA -0.224 4.086 4.320 -0.017 0.000 0.220 345 A C 2.166 179.745 177.584 -0.009 0.000 1.171 345 A CA 1.659 53.690 52.037 -0.010 0.000 0.640 345 A CB -0.502 18.486 19.000 -0.020 0.000 0.811 345 A HN 0.386 nan 8.150 nan 0.000 0.451 346 I N 0.167 120.734 120.570 -0.005 0.000 2.110 346 I HA -0.131 4.028 4.170 -0.017 0.000 0.236 346 I C -0.382 175.753 176.117 0.030 0.000 1.068 346 I CA 1.466 62.762 61.300 -0.006 0.000 1.333 346 I CB -0.971 37.027 38.000 -0.002 0.000 1.054 346 I HN 0.228 nan 8.210 nan 0.000 0.402 347 P HA -0.172 nan 4.420 nan 0.000 0.221 347 P C 1.269 178.619 177.300 0.083 0.000 1.150 347 P CA 1.465 64.613 63.100 0.080 0.000 0.800 347 P CB 0.031 31.800 31.700 0.115 0.000 0.787 348 E N 0.199 120.500 120.200 0.169 0.000 2.072 348 E HA -0.154 4.185 4.350 -0.017 0.000 0.191 348 E C 1.912 178.507 176.600 -0.009 0.000 0.985 348 E CA 0.702 57.210 56.400 0.180 0.000 0.801 348 E CB -1.219 28.615 29.700 0.223 0.000 0.750 348 E HN -0.022 nan 8.360 nan 0.000 0.452 349 L N 0.073 121.256 121.223 -0.067 0.000 2.017 349 L HA -0.137 4.193 4.340 -0.017 0.000 0.208 349 L C 2.119 178.851 176.870 -0.231 0.000 1.073 349 L CA 1.864 56.603 54.840 -0.168 0.000 0.745 349 L CB -0.721 41.235 42.059 -0.172 0.000 0.894 349 L HN 0.246 nan 8.230 nan 0.000 0.432 350 M N -0.751 118.729 119.600 -0.200 0.000 2.082 350 M HA -0.260 4.209 4.480 -0.017 0.000 0.258 350 M C 2.430 178.574 176.300 -0.259 0.000 1.069 350 M CA 1.714 56.846 55.300 -0.279 0.000 1.102 350 M CB -1.309 31.117 32.600 -0.291 0.000 1.336 350 M HN 0.341 nan 8.290 nan 0.000 0.404 351 R N 0.038 120.417 120.500 -0.202 0.000 2.080 351 R HA -0.149 4.180 4.340 -0.017 0.000 0.236 351 R C 2.113 178.313 176.300 -0.167 0.000 1.137 351 R CA 1.944 57.924 56.100 -0.200 0.000 0.943 351 R CB -0.287 29.852 30.300 -0.268 0.000 0.846 351 R HN 0.225 nan 8.270 nan 0.000 0.431 352 V N 1.495 121.311 119.914 -0.163 0.000 2.287 352 V HA -0.271 3.839 4.120 -0.017 0.000 0.248 352 V C 2.434 178.368 176.094 -0.268 0.000 1.053 352 V CA 1.834 64.029 62.300 -0.176 0.000 1.027 352 V CB -0.434 31.287 31.823 -0.169 0.000 0.646 352 V HN 0.349 nan 8.190 nan 0.000 0.447 353 L N -0.677 120.327 121.223 -0.366 0.000 2.027 353 L HA -0.134 4.196 4.340 -0.017 0.000 0.206 353 L C 2.441 179.126 176.870 -0.309 0.000 1.074 353 L CA 1.205 55.761 54.840 -0.474 0.000 0.745 353 L CB -0.658 41.078 42.059 -0.538 0.000 0.898 353 L HN 0.197 nan 8.230 nan 0.000 0.433 354 V N -0.370 119.405 119.914 -0.232 0.000 2.255 354 V HA -0.225 3.884 4.120 -0.017 0.000 0.243 354 V C 2.005 178.054 176.094 -0.075 0.000 1.038 354 V CA 1.873 64.099 62.300 -0.123 0.000 1.008 354 V CB -0.408 31.374 31.823 -0.068 0.000 0.645 354 V HN 0.377 nan 8.190 nan 0.000 0.449 355 D N -0.294 120.057 120.400 -0.082 0.000 2.162 355 D HA 0.013 4.643 4.640 -0.017 0.000 0.203 355 D C 2.006 178.276 176.300 -0.049 0.000 0.967 355 D CA 1.110 55.080 54.000 -0.050 0.000 0.840 355 D CB 0.104 40.872 40.800 -0.054 0.000 0.972 355 D HN 0.329 nan 8.370 nan 0.000 0.482 356 L N 0.078 121.257 121.223 -0.074 0.000 2.388 356 L HA 0.141 4.471 4.340 -0.017 0.000 0.209 356 L C 1.786 178.624 176.870 -0.053 0.000 1.061 356 L CA 0.452 55.260 54.840 -0.054 0.000 0.834 356 L CB 0.204 42.233 42.059 -0.051 0.000 1.029 356 L HN -0.182 nan 8.230 nan 0.000 0.473 357 E N 0.253 120.387 120.200 -0.110 0.000 2.452 357 E HA 0.067 4.406 4.350 -0.017 0.000 0.197 357 E C 0.080 176.640 176.600 -0.065 0.000 1.022 357 E CA -0.050 56.290 56.400 -0.099 0.000 0.890 357 E CB 0.483 30.006 29.700 -0.295 0.000 0.918 357 E HN 0.174 nan 8.360 nan 0.000 0.496 358 R N -0.208 120.248 120.500 -0.073 0.000 3.656 358 R HA -0.174 4.155 4.340 -0.017 0.000 0.297 358 R C -0.330 175.952 176.300 -0.031 0.000 1.166 358 R CA 0.218 56.298 56.100 -0.032 0.000 0.799 358 R CB -2.904 27.397 30.300 0.001 0.000 1.285 358 R HN 0.089 nan 8.270 nan 0.000 0.477 359 L N 2.245 123.418 121.223 -0.084 0.000 2.436 359 L HA 0.140 4.469 4.340 -0.017 0.000 0.265 359 L C 1.507 178.364 176.870 -0.021 0.000 1.168 359 L CA 0.325 55.126 54.840 -0.065 0.000 0.815 359 L CB 0.387 42.357 42.059 -0.149 0.000 1.109 359 L HN 0.144 nan 8.230 nan 0.000 0.462 360 D N 1.104 121.517 120.400 0.022 0.000 2.357 360 D HA -0.137 4.492 4.640 -0.017 0.000 0.242 360 D C 0.904 177.268 176.300 0.107 0.000 1.153 360 D CA -0.529 53.519 54.000 0.080 0.000 0.918 360 D CB 0.732 41.586 40.800 0.090 0.000 1.181 360 D HN 0.617 nan 8.370 nan 0.000 0.435 361 W N 2.024 123.326 121.300 0.003 0.000 2.315 361 W HA -0.246 4.404 4.660 -0.017 0.000 0.323 361 W C 1.086 177.648 176.519 0.072 0.000 1.233 361 W CA 2.015 59.369 57.345 0.016 0.000 1.267 361 W CB -0.342 29.109 29.460 -0.016 0.000 1.160 361 W HN 0.468 nan 8.180 nan 0.000 0.474 362 D N 0.258 120.856 120.400 0.329 0.000 2.123 362 D HA -0.209 4.420 4.640 -0.017 0.000 0.196 362 D C 1.880 178.279 176.300 0.166 0.000 0.992 362 D CA 2.037 56.203 54.000 0.277 0.000 0.833 362 D CB -0.467 40.468 40.800 0.225 0.000 0.954 362 D HN 0.084 nan 8.370 nan 0.000 0.455 363 K N 1.125 121.579 120.400 0.091 0.000 2.062 363 K HA 0.042 4.351 4.320 -0.017 0.000 0.205 363 K C 1.847 178.430 176.600 -0.029 0.000 1.051 363 K CA 1.405 57.716 56.287 0.041 0.000 0.941 363 K CB -0.588 31.934 32.500 0.035 0.000 0.719 363 K HN -0.007 nan 8.250 nan 0.000 0.440 364 A N 0.859 123.617 122.820 -0.102 0.000 1.892 364 A HA -0.213 4.096 4.320 -0.017 0.000 0.218 364 A C 2.270 179.745 177.584 -0.182 0.000 1.188 364 A CA 1.670 53.575 52.037 -0.220 0.000 0.631 364 A CB -1.308 17.495 19.000 -0.328 0.000 0.822 364 A HN 0.712 nan 8.150 nan 0.000 0.447 365 W N 0.598 121.677 121.300 -0.369 0.000 2.358 365 W HA -0.169 4.481 4.660 -0.017 0.000 0.303 365 W C 1.999 178.454 176.519 -0.107 0.000 1.208 365 W CA 1.836 59.016 57.345 -0.275 0.000 1.274 365 W CB -0.158 29.166 29.460 -0.226 0.000 1.138 365 W HN 0.632 nan 8.180 nan 0.000 0.515 366 E N 0.150 120.336 120.200 -0.025 0.000 2.085 366 E HA -0.228 4.111 4.350 -0.017 0.000 0.194 366 E C 2.042 178.562 176.600 -0.134 0.000 0.994 366 E CA 1.967 58.321 56.400 -0.076 0.000 0.801 366 E CB -0.308 29.407 29.700 0.026 0.000 0.743 366 E HN 0.061 nan 8.360 nan 0.000 0.453 367 V N 0.690 120.536 119.914 -0.114 0.000 2.295 367 V HA -0.257 3.853 4.120 -0.017 0.000 0.246 367 V C 2.400 178.416 176.094 -0.130 0.000 1.049 367 V CA 2.178 64.426 62.300 -0.086 0.000 1.024 367 V CB -0.782 30.975 31.823 -0.109 0.000 0.648 367 V HN 0.389 nan 8.190 nan 0.000 0.447 368 T N 0.056 114.457 114.554 -0.255 0.000 2.652 368 T HA -0.197 4.143 4.350 -0.017 0.000 0.267 368 T C 1.950 176.464 174.700 -0.310 0.000 1.039 368 T CA 1.857 63.781 62.100 -0.294 0.000 1.153 368 T CB -0.327 68.304 68.868 -0.395 0.000 0.863 368 T HN 0.260 nan 8.240 nan 0.000 0.428 369 V N 1.452 121.062 119.914 -0.507 0.000 2.287 369 V HA -0.192 3.917 4.120 -0.017 0.000 0.248 369 V C 2.362 178.411 176.094 -0.075 0.000 1.053 369 V CA 1.711 63.772 62.300 -0.398 0.000 1.027 369 V CB -0.497 31.011 31.823 -0.526 0.000 0.646 369 V HN 0.483 nan 8.190 nan 0.000 0.447 370 K N -0.547 119.799 120.400 -0.089 0.000 2.362 370 K HA -0.094 4.215 4.320 -0.017 0.000 0.200 370 K C 2.044 178.634 176.600 -0.017 0.000 1.046 370 K CA 1.527 57.756 56.287 -0.097 0.000 0.952 370 K CB -0.217 32.217 32.500 -0.109 0.000 0.753 370 K HN 0.477 nan 8.250 nan 0.000 0.466 371 T N 0.192 114.787 114.554 0.068 0.000 2.976 371 T HA 0.022 4.361 4.350 -0.017 0.000 0.257 371 T C 0.949 175.763 174.700 0.189 0.000 1.051 371 T CA 0.369 62.546 62.100 0.129 0.000 1.141 371 T CB 0.102 69.085 68.868 0.192 0.000 0.881 371 T HN 0.171 nan 8.240 nan 0.000 0.461 372 C N 2.177 121.568 119.300 0.151 0.000 2.405 372 C HA 0.888 5.337 4.460 -0.017 0.000 0.365 372 C C 0.592 175.630 174.990 0.080 0.000 1.233 372 C CA -1.123 57.958 59.018 0.106 0.000 2.230 372 C CB 0.266 28.006 27.740 0.001 0.000 2.443 372 C HN 0.605 nan 8.230 nan 0.000 0.556 373 A N 1.696 124.556 122.820 0.067 0.000 2.572 373 A HA 0.767 5.076 4.320 -0.017 0.000 0.295 373 A C -1.652 176.000 177.584 0.114 0.000 1.072 373 A CA -0.423 51.603 52.037 -0.018 0.000 0.691 373 A CB 1.084 20.072 19.000 -0.019 0.000 1.291 373 A HN 0.958 nan 8.150 nan 0.000 0.404 374 Y N 0.985 121.233 120.300 -0.087 0.000 2.361 374 Y HA 0.633 5.173 4.550 -0.017 0.000 0.337 374 Y C -0.614 175.264 175.900 -0.035 0.000 0.965 374 Y CA -0.327 57.733 58.100 -0.067 0.000 1.091 374 Y CB 2.076 40.451 38.460 -0.142 0.000 1.182 374 Y HN 0.590 nan 8.280 nan 0.000 0.450 375 T N 6.443 120.802 114.554 -0.325 0.000 2.771 375 T HA 0.195 4.534 4.350 -0.017 0.000 0.281 375 T C -0.803 173.459 174.700 -0.731 0.000 0.982 375 T CA -0.796 61.044 62.100 -0.433 0.000 0.978 375 T CB 0.534 69.381 68.868 -0.035 0.000 0.930 375 T HN 0.640 nan 8.240 nan 0.000 0.447 376 N N 1.723 119.979 118.700 -0.741 0.000 2.456 376 N HA 0.131 4.861 4.740 -0.017 0.000 0.288 376 N C 0.031 175.419 175.510 -0.204 0.000 1.059 376 N CA -0.330 52.501 53.050 -0.365 0.000 0.946 376 N CB 0.778 39.202 38.487 -0.104 0.000 1.150 376 N HN 0.667 nan 8.380 nan 0.000 0.479 377 H N 1.068 120.167 119.070 0.048 0.000 2.893 377 H HA 0.165 4.711 4.556 -0.018 0.000 0.270 377 H C -0.186 175.079 175.328 -0.105 0.000 1.095 377 H CA 0.012 56.047 56.048 -0.023 0.000 1.186 377 H CB 1.157 30.912 29.762 -0.011 0.000 1.562 377 H HN 0.517 nan 8.280 nan 0.000 0.536 378 T N 0.150 114.739 114.554 0.058 0.000 2.830 378 T HA 0.230 4.570 4.350 -0.017 0.000 0.322 378 T C 0.463 175.187 174.700 0.040 0.000 1.501 378 T CA -0.344 61.739 62.100 -0.028 0.000 1.036 378 T CB 1.332 70.181 68.868 -0.032 0.000 1.379 378 T HN -0.045 nan 8.240 nan 0.000 0.493 379 V N 1.465 121.361 119.914 -0.031 0.000 3.605 379 V HA 0.552 4.662 4.120 -0.017 0.000 0.284 379 V C 0.762 176.816 176.094 -0.066 0.000 1.386 379 V CA -0.026 62.245 62.300 -0.047 0.000 1.053 379 V CB -0.370 31.428 31.823 -0.041 0.000 0.857 379 V HN 0.704 nan 8.190 nan 0.000 0.436 380 L N 3.245 124.423 121.223 -0.075 0.000 2.534 380 L HA 0.186 4.516 4.340 -0.017 0.000 0.271 380 L C -0.540 176.328 176.870 -0.005 0.000 1.178 380 L CA -0.902 53.919 54.840 -0.031 0.000 0.907 380 L CB 0.897 42.938 42.059 -0.030 0.000 1.164 380 L HN 0.158 nan 8.230 nan 0.000 0.482 381 P HA -0.225 nan 4.420 nan 0.000 0.215 381 P C 0.991 178.286 177.300 -0.008 0.000 1.153 381 P CA 1.313 64.407 63.100 -0.010 0.000 0.853 381 P CB 0.042 31.743 31.700 0.001 0.000 0.788 382 E N 0.318 120.541 120.200 0.038 0.000 2.478 382 E HA -0.042 4.298 4.350 -0.017 0.000 0.198 382 E C 1.569 178.143 176.600 -0.043 0.000 1.046 382 E CA 1.000 57.415 56.400 0.026 0.000 0.870 382 E CB -0.709 29.103 29.700 0.186 0.000 0.818 382 E HN 0.198 nan 8.360 nan 0.000 0.527 383 A N 1.115 123.943 122.820 0.013 0.000 2.238 383 A HA 0.247 4.556 4.320 -0.017 0.000 0.210 383 A C 1.255 178.820 177.584 -0.032 0.000 1.179 383 A CA -0.315 51.742 52.037 0.033 0.000 0.827 383 A CB -0.066 18.983 19.000 0.081 0.000 0.856 383 A HN 0.157 nan 8.150 nan 0.000 0.488 384 L N 1.246 122.402 121.223 -0.112 0.000 2.380 384 L HA 0.149 4.479 4.340 -0.017 0.000 0.273 384 L C 0.020 176.538 176.870 -0.588 0.000 1.138 384 L CA -0.197 54.512 54.840 -0.218 0.000 0.832 384 L CB 0.754 42.718 42.059 -0.158 0.000 1.124 384 L HN 0.316 nan 8.230 nan 0.000 0.454 385 E N 4.097 123.867 120.200 -0.717 0.000 2.180 385 E HA 0.217 4.557 4.350 -0.017 0.000 0.283 385 E C -0.710 175.236 176.600 -1.089 0.000 1.061 385 E CA -0.226 55.311 56.400 -1.439 0.000 0.861 385 E CB 0.697 29.928 29.700 -0.781 0.000 1.056 385 E HN 0.395 nan 8.360 nan 0.000 0.407 386 R N 3.879 123.594 120.500 -1.308 0.000 2.487 386 R HA 0.200 4.529 4.340 -0.017 0.000 0.288 386 R C -1.185 174.922 176.300 -0.323 0.000 1.394 386 R CA -0.601 55.175 56.100 -0.539 0.000 1.155 386 R CB 0.785 30.906 30.300 -0.299 0.000 1.156 386 R HN 0.431 nan 8.270 nan 0.000 0.553 387 W N 4.308 125.556 121.300 -0.086 0.000 2.304 387 W HA 0.237 4.887 4.660 -0.017 0.000 0.313 387 W C -1.872 174.622 176.519 -0.042 0.000 1.323 387 W CA -2.047 55.309 57.345 0.018 0.000 1.223 387 W CB 0.572 30.021 29.460 -0.018 0.000 1.237 387 W HN 0.248 nan 8.180 nan 0.000 0.535 388 P HA -0.099 nan 4.420 nan 0.000 0.265 388 P C 0.787 178.014 177.300 -0.123 0.000 1.193 388 P CA 0.233 63.300 63.100 -0.055 0.000 0.765 388 P CB 0.739 32.245 31.700 -0.325 0.000 0.823 389 V N 3.141 123.030 119.914 -0.042 0.000 2.490 389 V HA -0.273 3.836 4.120 -0.017 0.000 0.250 389 V C 2.087 178.178 176.094 -0.004 0.000 1.061 389 V CA 2.482 64.786 62.300 0.006 0.000 1.064 389 V CB -1.664 30.227 31.823 0.114 0.000 0.670 389 V HN 0.756 nan 8.190 nan 0.000 0.461 390 H N -1.387 117.741 119.070 0.096 0.000 2.457 390 H HA -0.044 4.502 4.556 -0.017 0.000 0.294 390 H C 2.013 177.388 175.328 0.080 0.000 1.064 390 H CA 1.421 57.520 56.048 0.086 0.000 1.330 390 H CB -0.529 29.285 29.762 0.087 0.000 1.395 390 H HN 0.349 nan 8.280 nan 0.000 0.541 391 L N 0.037 121.143 121.223 -0.196 0.000 2.005 391 L HA -0.095 4.234 4.340 -0.017 0.000 0.207 391 L C 2.326 179.155 176.870 -0.069 0.000 1.072 391 L CA 1.054 55.862 54.840 -0.053 0.000 0.744 391 L CB -0.268 41.751 42.059 -0.068 0.000 0.895 391 L HN 0.313 nan 8.230 nan 0.000 0.433 392 L N -0.615 120.541 121.223 -0.113 0.000 2.131 392 L HA -0.241 4.089 4.340 -0.017 0.000 0.210 392 L C 2.480 179.290 176.870 -0.100 0.000 1.092 392 L CA 1.115 55.862 54.840 -0.154 0.000 0.759 392 L CB -0.430 41.526 42.059 -0.173 0.000 0.903 392 L HN 0.313 nan 8.230 nan 0.000 0.435 393 E N -0.414 119.769 120.200 -0.028 0.000 2.058 393 E HA -0.222 4.117 4.350 -0.017 0.000 0.194 393 E C 1.975 178.612 176.600 0.062 0.000 0.997 393 E CA 2.070 58.486 56.400 0.028 0.000 0.801 393 E CB 0.104 29.861 29.700 0.095 0.000 0.746 393 E HN 0.476 nan 8.360 nan 0.000 0.450 394 T N 0.665 115.280 114.554 0.101 0.000 2.894 394 T HA -0.075 4.265 4.350 -0.017 0.000 0.258 394 T C 1.760 176.565 174.700 0.175 0.000 1.043 394 T CA 0.578 62.787 62.100 0.181 0.000 1.141 394 T CB -0.123 68.886 68.868 0.234 0.000 0.873 394 T HN 0.044 nan 8.240 nan 0.000 0.449 395 L N 0.020 121.249 121.223 0.010 0.000 2.127 395 L HA 0.356 4.685 4.340 -0.017 0.000 0.203 395 L C 0.426 177.239 176.870 -0.095 0.000 1.080 395 L CA 1.579 56.307 54.840 -0.186 0.000 0.768 395 L CB -0.006 41.908 42.059 -0.241 0.000 0.924 395 L HN 0.179 nan 8.230 nan 0.000 0.444 396 L N 0.696 121.829 121.223 -0.151 0.000 2.551 396 L HA 0.289 4.619 4.340 -0.017 0.000 0.248 396 L C -1.717 174.972 176.870 -0.302 0.000 1.509 396 L CA -0.958 53.711 54.840 -0.286 0.000 0.842 396 L CB 0.930 42.689 42.059 -0.500 0.000 1.087 396 L HN -0.050 nan 8.230 nan 0.000 0.512 397 P HA -0.187 nan 4.420 nan 0.000 0.216 397 P C 1.497 178.589 177.300 -0.346 0.000 1.150 397 P CA 1.149 64.120 63.100 -0.215 0.000 0.837 397 P CB 0.363 32.014 31.700 -0.081 0.000 0.786 398 R N -0.272 119.826 120.500 -0.670 0.000 2.075 398 R HA -0.149 4.181 4.340 -0.017 0.000 0.232 398 R C 2.342 178.325 176.300 -0.528 0.000 1.126 398 R CA 1.605 57.321 56.100 -0.642 0.000 0.963 398 R CB -1.332 28.412 30.300 -0.927 0.000 0.858 398 R HN 0.225 nan 8.270 nan 0.000 0.435 399 H N -0.212 118.547 119.070 -0.519 0.000 2.387 399 H HA -0.063 4.483 4.556 -0.017 0.000 0.299 399 H C 1.821 176.976 175.328 -0.289 0.000 1.090 399 H CA 1.596 57.427 56.048 -0.361 0.000 1.332 399 H CB -0.100 29.419 29.762 -0.406 0.000 1.386 399 H HN 0.105 nan 8.280 nan 0.000 0.516 400 L N 0.589 121.684 121.223 -0.214 0.000 2.012 400 L HA -0.271 4.058 4.340 -0.017 0.000 0.210 400 L C 1.952 178.615 176.870 -0.345 0.000 1.073 400 L CA 1.684 56.327 54.840 -0.328 0.000 0.748 400 L CB -0.328 41.548 42.059 -0.304 0.000 0.891 400 L HN 0.467 nan 8.230 nan 0.000 0.431 401 Q N -0.345 119.357 119.800 -0.165 0.000 2.096 401 Q HA -0.250 4.079 4.340 -0.017 0.000 0.204 401 Q C 2.156 178.165 176.000 0.015 0.000 0.982 401 Q CA 1.729 57.525 55.803 -0.011 0.000 0.850 401 Q CB -0.155 28.586 28.738 0.006 0.000 0.901 401 Q HN 0.559 nan 8.270 nan 0.000 0.422 402 I N 0.367 120.932 120.570 -0.010 0.000 2.315 402 I HA -0.266 3.894 4.170 -0.017 0.000 0.248 402 I C 2.155 178.352 176.117 0.133 0.000 1.117 402 I CA 0.972 62.353 61.300 0.136 0.000 1.404 402 I CB -0.122 37.919 38.000 0.069 0.000 1.071 402 I HN 0.180 nan 8.210 nan 0.000 0.419 403 I N -0.533 120.033 120.570 -0.007 0.000 2.179 403 I HA -0.321 3.839 4.170 -0.017 0.000 0.242 403 I C 2.411 178.550 176.117 0.036 0.000 1.088 403 I CA 1.422 62.708 61.300 -0.024 0.000 1.357 403 I CB -0.418 37.503 38.000 -0.132 0.000 1.051 403 I HN 0.141 nan 8.210 nan 0.000 0.409 404 Y N 0.931 121.235 120.300 0.007 0.000 2.128 404 Y HA -0.304 4.236 4.550 -0.017 0.000 0.284 404 Y C 2.622 178.486 175.900 -0.060 0.000 1.154 404 Y CA 1.642 59.731 58.100 -0.018 0.000 1.149 404 Y CB -0.901 37.541 38.460 -0.030 0.000 0.976 404 Y HN 0.197 nan 8.280 nan 0.000 0.505 405 E N 0.345 120.581 120.200 0.059 0.000 2.077 405 E HA -0.152 4.187 4.350 -0.017 0.000 0.193 405 E C 2.095 178.606 176.600 -0.148 0.000 0.989 405 E CA 1.282 57.573 56.400 -0.181 0.000 0.800 405 E CB -0.557 28.866 29.700 -0.463 0.000 0.746 405 E HN 0.494 nan 8.360 nan 0.000 0.452 406 I N 0.540 121.131 120.570 0.034 0.000 2.179 406 I HA -0.278 3.881 4.170 -0.017 0.000 0.242 406 I C 2.256 178.377 176.117 0.006 0.000 1.088 406 I CA 1.301 62.582 61.300 -0.031 0.000 1.357 406 I CB -0.390 37.598 38.000 -0.019 0.000 1.051 406 I HN 0.189 nan 8.210 nan 0.000 0.409 407 N N 0.777 119.524 118.700 0.079 0.000 2.069 407 N HA -0.272 4.458 4.740 -0.017 0.000 0.191 407 N C 1.855 177.446 175.510 0.134 0.000 1.031 407 N CA 1.626 54.767 53.050 0.152 0.000 0.852 407 N CB -0.162 38.434 38.487 0.182 0.000 1.018 407 N HN 0.307 nan 8.380 nan 0.000 0.423 408 Q N 0.007 119.834 119.800 0.044 0.000 2.030 408 Q HA -0.135 4.195 4.340 -0.017 0.000 0.204 408 Q C 2.043 178.028 176.000 -0.025 0.000 0.986 408 Q CA 1.683 57.476 55.803 -0.016 0.000 0.843 408 Q CB -0.020 28.666 28.738 -0.086 0.000 0.904 408 Q HN 0.371 nan 8.270 nan 0.000 0.420 409 R N -0.841 119.622 120.500 -0.061 0.000 2.115 409 R HA -0.113 4.216 4.340 -0.017 0.000 0.230 409 R C 2.134 178.455 176.300 0.036 0.000 1.111 409 R CA 1.188 57.248 56.100 -0.066 0.000 0.976 409 R CB -0.302 29.905 30.300 -0.155 0.000 0.870 409 R HN 0.288 nan 8.270 nan 0.000 0.445 410 F N 1.338 121.258 119.950 -0.050 0.000 2.146 410 F HA -0.067 4.450 4.527 -0.017 0.000 0.298 410 F C 1.842 177.660 175.800 0.029 0.000 1.096 410 F CA 1.249 59.266 58.000 0.027 0.000 1.275 410 F CB -0.105 38.942 39.000 0.078 0.000 1.008 410 F HN -0.123 nan 8.300 nan 0.000 0.480 411 L N 0.029 121.281 121.223 0.048 0.000 2.141 411 L HA -0.232 4.098 4.340 -0.017 0.000 0.209 411 L C 1.946 178.760 176.870 -0.094 0.000 1.094 411 L CA 1.567 56.377 54.840 -0.051 0.000 0.763 411 L CB -0.870 41.211 42.059 0.036 0.000 0.908 411 L HN 0.260 nan 8.230 nan 0.000 0.437 412 N N -0.203 118.455 118.700 -0.071 0.000 2.166 412 N HA -0.171 4.559 4.740 -0.017 0.000 0.186 412 N C 1.914 177.369 175.510 -0.092 0.000 1.019 412 N CA 0.753 53.760 53.050 -0.071 0.000 0.856 412 N CB -0.019 38.432 38.487 -0.059 0.000 0.993 412 N HN 0.262 nan 8.380 nan 0.000 0.426 413 R N 0.617 121.041 120.500 -0.126 0.000 2.081 413 R HA -0.063 4.266 4.340 -0.017 0.000 0.235 413 R C 2.183 178.377 176.300 -0.177 0.000 1.131 413 R CA 0.889 56.903 56.100 -0.143 0.000 0.960 413 R CB -0.253 29.954 30.300 -0.154 0.000 0.856 413 R HN 0.075 nan 8.270 nan 0.000 0.436 414 V N 0.747 120.511 119.914 -0.252 0.000 2.270 414 V HA -0.241 3.868 4.120 -0.017 0.000 0.245 414 V C 2.415 178.505 176.094 -0.007 0.000 1.043 414 V CA 1.953 64.170 62.300 -0.139 0.000 1.014 414 V CB -0.811 30.870 31.823 -0.236 0.000 0.645 414 V HN 0.424 nan 8.190 nan 0.000 0.447 415 A N 0.205 122.997 122.820 -0.047 0.000 1.917 415 A HA -0.227 4.083 4.320 -0.017 0.000 0.219 415 A C 2.388 179.952 177.584 -0.033 0.000 1.182 415 A CA 2.515 54.540 52.037 -0.021 0.000 0.633 415 A CB -0.869 18.110 19.000 -0.036 0.000 0.819 415 A HN 0.622 nan 8.150 nan 0.000 0.448 416 A N -0.822 121.958 122.820 -0.067 0.000 1.969 416 A HA 0.283 4.593 4.320 -0.017 0.000 0.218 416 A C 2.360 179.858 177.584 -0.143 0.000 1.169 416 A CA 1.804 53.790 52.037 -0.086 0.000 0.635 416 A CB -0.664 18.288 19.000 -0.079 0.000 0.810 416 A HN 1.041 nan 8.150 nan 0.000 0.445 417 A N -1.801 120.894 122.820 -0.209 0.000 2.030 417 A HA 0.406 4.716 4.320 -0.017 0.000 0.215 417 A C 0.434 177.580 177.584 -0.730 0.000 1.164 417 A CA 0.473 52.222 52.037 -0.480 0.000 0.697 417 A CB -0.099 18.548 19.000 -0.587 0.000 0.827 417 A HN 0.410 nan 8.150 nan 0.000 0.457 418 F N 0.048 119.949 119.950 -0.081 0.000 2.584 418 F HA 0.341 4.858 4.527 -0.018 0.000 0.328 418 F C -2.793 172.969 175.800 -0.063 0.000 1.407 418 F CA -2.813 55.144 58.000 -0.072 0.000 1.145 418 F CB 0.781 39.730 39.000 -0.085 0.000 1.440 418 F HN -0.066 nan 8.300 nan 0.000 0.580 419 P HA 0.201 nan 4.420 nan 0.000 0.265 419 P C 1.031 178.351 177.300 0.033 0.000 1.193 419 P CA 0.982 64.094 63.100 0.019 0.000 0.765 419 P CB 0.955 32.648 31.700 -0.012 0.000 0.823 420 G N 2.293 111.104 108.800 0.019 0.000 2.245 420 G HA2 -0.256 3.694 3.960 -0.017 0.000 0.264 420 G HA3 -0.256 3.694 3.960 -0.017 0.000 0.264 420 G C 0.368 175.276 174.900 0.014 0.000 0.985 420 G CA 0.139 45.247 45.100 0.013 0.000 0.625 420 G HN 0.619 nan 8.290 nan 0.000 0.536 421 D N 1.403 121.820 120.400 0.028 0.000 2.551 421 D HA 0.373 5.003 4.640 -0.017 0.000 0.223 421 D C 2.081 178.369 176.300 -0.020 0.000 1.144 421 D CA 0.406 54.407 54.000 0.003 0.000 1.025 421 D CB 0.360 41.159 40.800 -0.002 0.000 1.085 421 D HN 0.607 nan 8.370 nan 0.000 0.506 422 V N 0.686 120.590 119.914 -0.016 0.000 2.515 422 V HA -0.122 3.988 4.120 -0.017 0.000 0.250 422 V C 1.753 177.834 176.094 -0.023 0.000 1.058 422 V CA 1.493 63.783 62.300 -0.016 0.000 1.064 422 V CB -0.422 31.395 31.823 -0.010 0.000 0.675 422 V HN 0.215 nan 8.190 nan 0.000 0.461 423 D N 0.361 120.743 120.400 -0.029 0.000 2.183 423 D HA -0.141 4.489 4.640 -0.017 0.000 0.203 423 D C 2.320 178.589 176.300 -0.051 0.000 0.969 423 D CA 1.112 55.095 54.000 -0.030 0.000 0.842 423 D CB -0.188 40.596 40.800 -0.027 0.000 0.957 423 D HN 0.428 nan 8.370 nan 0.000 0.484 424 R N -0.097 120.348 120.500 -0.092 0.000 2.091 424 R HA -0.107 4.223 4.340 -0.017 0.000 0.238 424 R C 2.215 178.443 176.300 -0.121 0.000 1.136 424 R CA 0.962 56.969 56.100 -0.155 0.000 0.959 424 R CB -0.254 29.892 30.300 -0.256 0.000 0.856 424 R HN 0.260 nan 8.270 nan 0.000 0.437 425 L N 0.529 121.707 121.223 -0.074 0.000 2.012 425 L HA -0.216 4.114 4.340 -0.017 0.000 0.210 425 L C 2.692 179.563 176.870 0.002 0.000 1.073 425 L CA 1.938 56.755 54.840 -0.039 0.000 0.748 425 L CB -0.494 41.553 42.059 -0.022 0.000 0.891 425 L HN 0.303 nan 8.230 nan 0.000 0.431 426 R N 0.041 120.548 120.500 0.011 0.000 2.115 426 R HA -0.096 4.234 4.340 -0.017 0.000 0.226 426 R C 2.146 178.491 176.300 0.076 0.000 1.100 426 R CA 0.958 57.086 56.100 0.046 0.000 0.980 426 R CB -0.520 29.803 30.300 0.038 0.000 0.875 426 R HN 0.185 nan 8.270 nan 0.000 0.445 427 R N 0.057 120.583 120.500 0.043 0.000 2.115 427 R HA 0.109 4.439 4.340 -0.017 0.000 0.230 427 R C 1.891 178.249 176.300 0.097 0.000 1.111 427 R CA 1.674 57.821 56.100 0.078 0.000 0.976 427 R CB -0.136 30.174 30.300 0.017 0.000 0.870 427 R HN 0.339 nan 8.270 nan 0.000 0.445 428 M N -0.211 119.377 119.600 -0.021 0.000 2.465 428 M HA 0.059 4.529 4.480 -0.017 0.000 0.249 428 M C 0.751 177.152 176.300 0.167 0.000 1.130 428 M CA -0.052 55.164 55.300 -0.140 0.000 1.067 428 M CB 0.633 33.017 32.600 -0.359 0.000 1.394 428 M HN -0.105 nan 8.290 nan 0.000 0.483 429 S N 1.255 117.088 115.700 0.221 0.000 2.552 429 S HA 0.061 4.521 4.470 -0.017 0.000 0.289 429 S C 1.205 176.042 174.600 0.396 0.000 1.304 429 S CA -0.247 58.119 58.200 0.276 0.000 1.063 429 S CB 0.523 63.838 63.200 0.193 0.000 0.848 429 S HN 0.360 nan 8.310 nan 0.000 0.499 430 L N 4.385 125.798 121.223 0.317 0.000 2.201 430 L HA 0.044 4.374 4.340 -0.017 0.000 0.212 430 L C 0.463 177.445 176.870 0.188 0.000 1.105 430 L CA 0.479 55.472 54.840 0.255 0.000 0.775 430 L CB -0.514 41.633 42.059 0.147 0.000 0.913 430 L HN 0.423 nan 8.230 nan 0.000 0.440 431 V N 0.833 120.867 119.914 0.199 0.000 2.383 431 V HA 0.150 4.260 4.120 -0.017 0.000 0.275 431 V C 0.120 176.305 176.094 0.151 0.000 1.036 431 V CA -0.526 61.881 62.300 0.178 0.000 0.889 431 V CB 1.304 33.265 31.823 0.229 0.000 0.985 431 V HN 0.173 nan 8.190 nan 0.000 0.459 432 E N 3.181 123.450 120.200 0.116 0.000 2.146 432 E HA 0.372 4.712 4.350 -0.017 0.000 0.282 432 E C -0.562 176.090 176.600 0.087 0.000 0.989 432 E CA -0.494 55.963 56.400 0.096 0.000 0.799 432 E CB 1.881 31.617 29.700 0.061 0.000 1.088 432 E HN 0.647 nan 8.360 nan 0.000 0.397 433 E N 1.201 121.449 120.200 0.080 0.000 2.345 433 E HA 0.591 4.931 4.350 -0.017 0.000 0.259 433 E C 0.106 176.742 176.600 0.060 0.000 1.117 433 E CA 0.373 56.814 56.400 0.068 0.000 0.913 433 E CB 1.294 31.028 29.700 0.056 0.000 1.057 433 E HN 0.632 nan 8.360 nan 0.000 0.432 434 G N 0.041 108.875 108.800 0.057 0.000 2.332 434 G HA2 0.273 4.222 3.960 -0.017 0.000 0.265 434 G HA3 0.273 4.222 3.960 -0.017 0.000 0.265 434 G C 0.400 175.333 174.900 0.055 0.000 1.329 434 G CA 0.217 45.348 45.100 0.051 0.000 0.949 434 G HN 0.642 nan 8.290 nan 0.000 0.476 435 A N -0.853 121.998 122.820 0.052 0.000 1.863 435 A HA 0.248 4.557 4.320 -0.017 0.000 0.218 435 A C 1.748 179.375 177.584 0.072 0.000 1.233 435 A CA 4.070 56.140 52.037 0.054 0.000 0.655 435 A CB -1.366 17.665 19.000 0.051 0.000 0.839 435 A HN 2.353 nan 8.150 nan 0.000 0.454 436 V N -3.350 116.618 119.914 0.090 0.000 2.581 436 V HA 0.556 4.666 4.120 -0.017 0.000 0.303 436 V C -0.339 175.824 176.094 0.115 0.000 1.041 436 V CA -1.379 60.998 62.300 0.128 0.000 0.907 436 V CB 1.508 33.438 31.823 0.179 0.000 0.994 436 V HN 0.340 nan 8.190 nan 0.000 0.442 437 K N 3.647 124.125 120.400 0.130 0.000 2.350 437 K HA 0.485 4.795 4.320 -0.017 0.000 0.279 437 K C -0.374 176.289 176.600 0.106 0.000 1.027 437 K CA -0.174 56.184 56.287 0.119 0.000 0.969 437 K CB 0.903 33.487 32.500 0.140 0.000 0.954 437 K HN 0.730 nan 8.250 nan 0.000 0.474 438 R N 1.754 122.307 120.500 0.088 0.000 2.795 438 R HA 0.461 4.791 4.340 -0.017 0.000 0.275 438 R C -0.598 175.737 176.300 0.059 0.000 0.981 438 R CA -0.992 55.147 56.100 0.064 0.000 0.917 438 R CB 1.339 31.657 30.300 0.030 0.000 1.202 438 R HN 0.377 nan 8.270 nan 0.000 0.469 439 I N 2.031 122.632 120.570 0.052 0.000 2.315 439 I HA 0.147 4.306 4.170 -0.017 0.000 0.291 439 I C -0.057 176.040 176.117 -0.034 0.000 1.006 439 I CA -0.672 60.647 61.300 0.031 0.000 1.265 439 I CB 0.995 39.016 38.000 0.034 0.000 1.387 439 I HN 0.495 nan 8.210 nan 0.000 0.475 440 N N 7.102 125.755 118.700 -0.079 0.000 2.402 440 N HA 0.094 4.824 4.740 -0.017 0.000 0.252 440 N C 0.798 176.194 175.510 -0.189 0.000 1.118 440 N CA -0.323 52.595 53.050 -0.221 0.000 0.945 440 N CB 0.981 39.200 38.487 -0.446 0.000 1.147 440 N HN 0.375 nan 8.380 nan 0.000 0.495 441 M N 2.388 121.877 119.600 -0.184 0.000 2.296 441 M HA -0.041 4.428 4.480 -0.017 0.000 0.265 441 M C 1.882 178.026 176.300 -0.259 0.000 1.064 441 M CA 0.627 55.838 55.300 -0.147 0.000 1.109 441 M CB -1.472 31.088 32.600 -0.067 0.000 1.396 441 M HN 0.599 nan 8.290 nan 0.000 0.430 442 A N -0.518 122.134 122.820 -0.279 0.000 1.930 442 A HA -0.156 4.154 4.320 -0.017 0.000 0.217 442 A C 1.961 179.292 177.584 -0.421 0.000 1.175 442 A CA 1.357 53.182 52.037 -0.352 0.000 0.627 442 A CB -1.083 17.901 19.000 -0.027 0.000 0.815 442 A HN 0.587 nan 8.150 nan 0.000 0.443 443 H N -0.973 117.876 119.070 -0.368 0.000 2.387 443 H HA -0.032 4.513 4.556 -0.017 0.000 0.299 443 H C 2.103 177.200 175.328 -0.385 0.000 1.090 443 H CA 0.912 56.705 56.048 -0.426 0.000 1.332 443 H CB -0.053 29.674 29.762 -0.059 0.000 1.386 443 H HN 0.348 nan 8.280 nan 0.000 0.516 444 L N 0.426 121.558 121.223 -0.153 0.000 2.012 444 L HA -0.237 4.092 4.340 -0.017 0.000 0.210 444 L C 2.214 178.945 176.870 -0.232 0.000 1.073 444 L CA 1.370 56.120 54.840 -0.150 0.000 0.748 444 L CB -0.435 41.564 42.059 -0.100 0.000 0.891 444 L HN 0.470 nan 8.230 nan 0.000 0.431 445 C N 0.006 119.063 119.300 -0.405 0.000 2.429 445 C HA -0.172 4.278 4.460 -0.017 0.000 0.277 445 C C 2.679 177.419 174.990 -0.417 0.000 1.262 445 C CA 0.602 59.305 59.018 -0.526 0.000 1.733 445 C CB -0.738 26.304 27.740 -1.164 0.000 2.010 445 C HN 0.508 nan 8.230 nan 0.000 0.483 446 I N 1.380 121.657 120.570 -0.487 0.000 2.252 446 I HA -0.190 3.970 4.170 -0.017 0.000 0.245 446 I C 2.753 178.740 176.117 -0.217 0.000 1.102 446 I CA 1.584 62.650 61.300 -0.389 0.000 1.385 446 I CB -0.571 37.064 38.000 -0.609 0.000 1.064 446 I HN 0.268 nan 8.210 nan 0.000 0.414 447 A N 0.665 123.328 122.820 -0.261 0.000 1.902 447 A HA -0.116 4.193 4.320 -0.017 0.000 0.217 447 A C 2.226 179.878 177.584 0.113 0.000 1.181 447 A CA 1.936 53.876 52.037 -0.161 0.000 0.623 447 A CB -1.234 17.485 19.000 -0.468 0.000 0.818 447 A HN 0.474 nan 8.150 nan 0.000 0.443 448 G N -1.118 107.681 108.800 -0.001 0.000 3.284 448 G HA2 0.416 4.365 3.960 -0.017 0.000 0.236 448 G HA3 0.416 4.365 3.960 -0.017 0.000 0.236 448 G C 0.072 174.817 174.900 -0.257 0.000 1.158 448 G CA 0.511 45.486 45.100 -0.209 0.000 0.774 448 G HN 0.353 nan 8.290 nan 0.000 0.545 449 S N -0.368 115.237 115.700 -0.159 0.000 2.542 449 S HA 0.311 4.770 4.470 -0.017 0.000 0.293 449 S C 0.759 175.313 174.600 -0.077 0.000 1.089 449 S CA -0.714 57.414 58.200 -0.119 0.000 0.961 449 S CB 1.299 64.429 63.200 -0.116 0.000 1.062 449 S HN 0.502 nan 8.310 nan 0.000 0.483 450 H N 0.068 119.108 119.070 -0.050 0.000 2.548 450 H HA 0.447 4.992 4.556 -0.017 0.000 0.268 450 H C 0.177 175.500 175.328 -0.009 0.000 0.975 450 H CA 0.401 56.447 56.048 -0.003 0.000 1.195 450 H CB 0.130 29.904 29.762 0.020 0.000 1.397 450 H HN 0.520 nan 8.280 nan 0.000 0.572 451 A N 0.963 123.498 122.820 -0.475 0.000 2.488 451 A HA 0.563 4.872 4.320 -0.017 0.000 0.298 451 A C -1.388 175.998 177.584 -0.330 0.000 1.044 451 A CA -0.580 51.228 52.037 -0.380 0.000 0.693 451 A CB 2.260 21.009 19.000 -0.418 0.000 1.272 451 A HN 0.097 nan 8.150 nan 0.000 0.402 452 V N 3.916 123.593 119.914 -0.394 0.000 2.638 452 V HA 0.579 4.689 4.120 -0.017 0.000 0.306 452 V C -0.786 175.113 176.094 -0.325 0.000 1.052 452 V CA -0.759 61.298 62.300 -0.405 0.000 0.885 452 V CB 1.879 33.303 31.823 -0.665 0.000 0.999 452 V HN 1.025 nan 8.190 nan 0.000 0.424 453 N N 2.964 121.495 118.700 -0.283 0.000 2.242 453 N HA 0.594 5.323 4.740 -0.017 0.000 0.292 453 N C -0.306 175.090 175.510 -0.190 0.000 1.125 453 N CA -0.350 52.577 53.050 -0.204 0.000 0.783 453 N CB 2.849 41.200 38.487 -0.226 0.000 1.558 453 N HN 0.656 nan 8.380 nan 0.000 0.472 454 G N -0.675 108.044 108.800 -0.136 0.000 2.535 454 G HA2 0.432 4.382 3.960 -0.017 0.000 0.303 454 G HA3 0.432 4.382 3.960 -0.017 0.000 0.303 454 G C 0.739 175.687 174.900 0.081 0.000 1.237 454 G CA -0.408 44.648 45.100 -0.073 0.000 0.986 454 G HN 0.673 nan 8.290 nan 0.000 0.494 455 V N -3.949 116.149 119.914 0.307 0.000 3.380 455 V HA 0.705 4.815 4.120 -0.017 0.000 0.307 455 V C 0.529 176.711 176.094 0.146 0.000 1.434 455 V CA 0.417 62.811 62.300 0.156 0.000 1.075 455 V CB -0.683 31.180 31.823 0.067 0.000 0.954 455 V HN 1.329 nan 8.190 nan 0.000 0.444 456 A N 0.033 122.950 122.820 0.162 0.000 2.608 456 A HA 0.653 4.963 4.320 -0.017 0.000 0.292 456 A C 0.705 178.339 177.584 0.084 0.000 1.066 456 A CA -0.108 51.998 52.037 0.114 0.000 0.676 456 A CB 1.219 20.276 19.000 0.095 0.000 1.277 456 A HN 0.014 nan 8.150 nan 0.000 0.413 457 R N 0.607 121.136 120.500 0.049 0.000 2.091 457 R HA -0.138 4.192 4.340 -0.017 0.000 0.238 457 R C 1.612 177.911 176.300 -0.002 0.000 1.136 457 R CA 2.215 58.322 56.100 0.010 0.000 0.959 457 R CB -0.214 30.088 30.300 0.003 0.000 0.856 457 R HN 0.817 nan 8.270 nan 0.000 0.437 458 I N 0.278 120.857 120.570 0.015 0.000 2.252 458 I HA -0.280 3.880 4.170 -0.017 0.000 0.245 458 I C 2.361 178.490 176.117 0.021 0.000 1.102 458 I CA 1.749 63.051 61.300 0.003 0.000 1.385 458 I CB -0.251 37.750 38.000 0.000 0.000 1.064 458 I HN 0.326 nan 8.210 nan 0.000 0.414 459 H N 0.463 119.506 119.070 -0.045 0.000 2.321 459 H HA -0.140 4.405 4.556 -0.018 0.000 0.300 459 H C 2.262 177.560 175.328 -0.050 0.000 1.087 459 H CA 2.246 58.263 56.048 -0.051 0.000 1.319 459 H CB -0.318 29.418 29.762 -0.043 0.000 1.379 459 H HN 0.254 nan 8.280 nan 0.000 0.501 460 S N 0.323 115.905 115.700 -0.196 0.000 2.382 460 S HA -0.124 4.336 4.470 -0.017 0.000 0.228 460 S C 1.911 176.396 174.600 -0.191 0.000 1.027 460 S CA 1.213 59.276 58.200 -0.228 0.000 0.991 460 S CB -0.063 63.070 63.200 -0.112 0.000 0.823 460 S HN 0.491 nan 8.310 nan 0.000 0.469 461 E N 1.142 121.253 120.200 -0.150 0.000 2.072 461 E HA 0.004 4.344 4.350 -0.017 0.000 0.191 461 E C 2.040 178.534 176.600 -0.176 0.000 0.985 461 E CA 0.627 56.929 56.400 -0.163 0.000 0.801 461 E CB -0.388 29.245 29.700 -0.111 0.000 0.750 461 E HN 0.500 nan 8.360 nan 0.000 0.452 462 I N 1.127 121.612 120.570 -0.142 0.000 2.264 462 I HA -0.288 3.872 4.170 -0.017 0.000 0.248 462 I C 2.397 178.406 176.117 -0.180 0.000 1.111 462 I CA 0.845 62.066 61.300 -0.132 0.000 1.382 462 I CB -0.223 37.732 38.000 -0.075 0.000 1.060 462 I HN 0.061 nan 8.210 nan 0.000 0.418 463 L N 0.249 121.336 121.223 -0.227 0.000 2.046 463 L HA -0.220 4.109 4.340 -0.017 0.000 0.208 463 L C 2.473 179.244 176.870 -0.166 0.000 1.077 463 L CA 1.532 56.258 54.840 -0.189 0.000 0.747 463 L CB -0.583 41.435 42.059 -0.067 0.000 0.896 463 L HN 0.195 nan 8.230 nan 0.000 0.432 464 K N -0.129 120.090 120.400 -0.301 0.000 2.217 464 K HA -0.110 4.200 4.320 -0.017 0.000 0.202 464 K C 1.961 178.353 176.600 -0.346 0.000 1.051 464 K CA 0.894 56.845 56.287 -0.560 0.000 0.952 464 K CB 0.102 32.029 32.500 -0.954 0.000 0.736 464 K HN 0.284 nan 8.250 nan 0.000 0.453 465 K N -0.246 120.021 120.400 -0.222 0.000 2.308 465 K HA 0.004 4.313 4.320 -0.017 0.000 0.197 465 K C 1.778 178.328 176.600 -0.083 0.000 1.049 465 K CA 1.176 57.385 56.287 -0.130 0.000 0.991 465 K CB 0.733 33.164 32.500 -0.114 0.000 0.836 465 K HN 0.235 nan 8.250 nan 0.000 0.500 466 T N -1.240 113.255 114.554 -0.098 0.000 3.409 466 T HA 0.066 4.406 4.350 -0.017 0.000 0.188 466 T C 1.971 176.622 174.700 -0.082 0.000 0.929 466 T CA -0.049 62.003 62.100 -0.080 0.000 1.184 466 T CB -0.790 68.025 68.868 -0.087 0.000 1.570 466 T HN 0.076 nan 8.240 nan 0.000 0.367 467 I N -0.784 119.672 120.570 -0.190 0.000 2.454 467 I HA 0.197 4.356 4.170 -0.017 0.000 0.254 467 I C 1.432 177.461 176.117 -0.147 0.000 1.156 467 I CA 1.424 62.557 61.300 -0.278 0.000 1.433 467 I CB -0.678 36.994 38.000 -0.547 0.000 1.082 467 I HN 0.225 nan 8.210 nan 0.000 0.432 468 F N 0.703 120.727 119.950 0.124 0.000 2.735 468 F HA 0.339 4.855 4.527 -0.018 0.000 0.304 468 F C 1.993 177.887 175.800 0.158 0.000 1.119 468 F CA -0.623 57.520 58.000 0.238 0.000 1.280 468 F CB 0.153 39.303 39.000 0.249 0.000 0.994 468 F HN -0.119 nan 8.300 nan 0.000 0.520 469 K N 1.100 121.619 120.400 0.197 0.000 2.020 469 K HA -0.226 4.084 4.320 -0.017 0.000 0.212 469 K C 1.336 178.001 176.600 0.108 0.000 1.050 469 K CA 2.277 58.625 56.287 0.101 0.000 0.929 469 K CB -0.050 32.472 32.500 0.037 0.000 0.714 469 K HN 0.174 nan 8.250 nan 0.000 0.443 470 D N -0.172 120.267 120.400 0.065 0.000 2.123 470 D HA -0.176 4.453 4.640 -0.017 0.000 0.196 470 D C 1.827 178.050 176.300 -0.128 0.000 0.992 470 D CA 1.313 55.228 54.000 -0.142 0.000 0.833 470 D CB -0.321 40.299 40.800 -0.299 0.000 0.954 470 D HN 0.257 nan 8.370 nan 0.000 0.455 471 F N -0.333 119.695 119.950 0.131 0.000 2.206 471 F HA -0.115 4.402 4.527 -0.017 0.000 0.298 471 F C 2.318 178.252 175.800 0.224 0.000 1.090 471 F CA 0.382 58.531 58.000 0.249 0.000 1.323 471 F CB -0.598 38.621 39.000 0.365 0.000 1.028 471 F HN -0.047 nan 8.300 nan 0.000 0.492 472 Y N 1.370 121.643 120.300 -0.045 0.000 2.224 472 Y HA -0.197 4.343 4.550 -0.017 0.000 0.289 472 Y C 2.108 177.979 175.900 -0.048 0.000 1.146 472 Y CA 1.616 59.492 58.100 -0.373 0.000 1.182 472 Y CB -0.582 37.480 38.460 -0.663 0.000 0.983 472 Y HN 0.126 nan 8.280 nan 0.000 0.524 473 E N -0.408 119.720 120.200 -0.119 0.000 2.072 473 E HA -0.191 4.148 4.350 -0.017 0.000 0.191 473 E C 2.019 178.665 176.600 0.077 0.000 0.985 473 E CA 1.181 57.531 56.400 -0.083 0.000 0.801 473 E CB -0.297 29.404 29.700 0.002 0.000 0.750 473 E HN 0.420 nan 8.360 nan 0.000 0.452 474 L N 1.063 122.376 121.223 0.150 0.000 2.027 474 L HA -0.090 4.240 4.340 -0.017 0.000 0.206 474 L C 0.168 177.108 176.870 0.117 0.000 1.074 474 L CA 1.771 56.730 54.840 0.199 0.000 0.745 474 L CB 0.268 42.435 42.059 0.181 0.000 0.898 474 L HN -0.074 nan 8.230 nan 0.000 0.433 475 E N -0.265 120.001 120.200 0.110 0.000 3.132 475 E HA 0.187 4.526 4.350 -0.017 0.000 0.241 475 E C -2.007 174.547 176.600 -0.077 0.000 1.196 475 E CA -1.254 55.126 56.400 -0.034 0.000 0.869 475 E CB 0.862 30.529 29.700 -0.055 0.000 1.387 475 E HN 0.188 nan 8.360 nan 0.000 0.393 476 P HA -0.234 nan 4.420 nan 0.000 0.220 476 P C 1.134 178.553 177.300 0.199 0.000 1.148 476 P CA 1.320 64.334 63.100 -0.145 0.000 0.803 476 P CB -0.025 31.473 31.700 -0.338 0.000 0.782 477 H N 0.121 119.309 119.070 0.197 0.000 2.491 477 H HA 0.093 4.639 4.556 -0.018 0.000 0.290 477 H C 1.418 176.848 175.328 0.170 0.000 1.050 477 H CA 0.685 56.834 56.048 0.168 0.000 1.309 477 H CB -0.603 29.224 29.762 0.109 0.000 1.392 477 H HN 0.147 nan 8.280 nan 0.000 0.554 478 K N 0.351 120.698 120.400 -0.090 0.000 2.288 478 K HA 0.024 4.333 4.320 -0.017 0.000 0.201 478 K C -0.198 176.279 176.600 -0.204 0.000 1.048 478 K CA 0.334 56.531 56.287 -0.149 0.000 0.956 478 K CB 0.082 32.367 32.500 -0.358 0.000 0.746 478 K HN 0.123 nan 8.250 nan 0.000 0.461 479 F N 1.699 121.688 119.950 0.064 0.000 2.411 479 F HA 0.187 4.704 4.527 -0.018 0.000 0.350 479 F C 0.461 176.266 175.800 0.008 0.000 1.114 479 F CA -0.330 57.702 58.000 0.055 0.000 1.135 479 F CB 1.045 40.129 39.000 0.140 0.000 1.120 479 F HN -0.120 nan 8.300 nan 0.000 0.495 480 Q N 1.784 121.614 119.800 0.051 0.000 2.605 480 Q HA 0.359 4.689 4.340 -0.017 0.000 0.296 480 Q C -1.206 174.754 176.000 -0.066 0.000 1.056 480 Q CA -1.280 54.507 55.803 -0.026 0.000 0.778 480 Q CB 3.042 31.714 28.738 -0.111 0.000 1.497 480 Q HN 0.606 nan 8.270 nan 0.000 0.443 481 N N 0.656 119.301 118.700 -0.092 0.000 2.314 481 N HA 0.270 4.999 4.740 -0.017 0.000 0.304 481 N C -1.422 173.993 175.510 -0.158 0.000 1.073 481 N CA -0.394 52.598 53.050 -0.097 0.000 0.822 481 N CB 1.023 39.475 38.487 -0.059 0.000 1.280 481 N HN 0.296 nan 8.380 nan 0.000 0.489 482 K N 2.776 123.088 120.400 -0.147 0.000 2.675 482 K HA 0.183 4.492 4.320 -0.017 0.000 0.224 482 K C -0.930 175.690 176.600 0.034 0.000 1.003 482 K CA -0.486 55.698 56.287 -0.172 0.000 1.034 482 K CB 1.198 33.385 32.500 -0.523 0.000 1.218 482 K HN 0.544 nan 8.250 nan 0.000 0.507 483 T N 1.940 116.528 114.554 0.056 0.000 2.902 483 T HA 0.046 4.386 4.350 -0.017 0.000 0.301 483 T C 0.763 175.596 174.700 0.222 0.000 1.012 483 T CA 0.332 62.514 62.100 0.137 0.000 1.151 483 T CB 0.296 69.247 68.868 0.138 0.000 0.946 483 T HN 0.348 nan 8.240 nan 0.000 0.542 484 N N 0.598 119.447 118.700 0.248 0.000 2.340 484 N HA 0.401 5.131 4.740 -0.017 0.000 0.236 484 N C 0.481 176.179 175.510 0.314 0.000 1.296 484 N CA -0.214 53.014 53.050 0.297 0.000 0.896 484 N CB 0.415 39.019 38.487 0.195 0.000 1.127 484 N HN 0.757 nan 8.380 nan 0.000 0.442 485 G N -0.463 108.538 108.800 0.335 0.000 2.708 485 G HA2 0.653 4.603 3.960 -0.017 0.000 0.289 485 G HA3 0.653 4.603 3.960 -0.017 0.000 0.289 485 G C -1.310 173.734 174.900 0.239 0.000 1.416 485 G CA -0.725 44.553 45.100 0.296 0.000 0.829 485 G HN 0.597 nan 8.290 nan 0.000 0.480 486 I N -2.340 118.353 120.570 0.206 0.000 2.730 486 I HA 0.707 4.867 4.170 -0.017 0.000 0.298 486 I C -0.149 176.132 176.117 0.273 0.000 1.089 486 I CA -0.947 60.471 61.300 0.197 0.000 1.041 486 I CB 2.458 40.465 38.000 0.012 0.000 1.235 486 I HN 0.460 nan 8.210 nan 0.000 0.423 487 T N 4.493 119.262 114.554 0.358 0.000 2.814 487 T HA 0.347 4.687 4.350 -0.017 0.000 0.297 487 T C -1.484 173.335 174.700 0.197 0.000 0.956 487 T CA -1.474 60.756 62.100 0.216 0.000 1.123 487 T CB 0.733 69.668 68.868 0.112 0.000 0.902 487 T HN 0.626 nan 8.240 nan 0.000 0.528 488 P HA 0.078 nan 4.420 nan 0.000 0.233 488 P C 1.137 178.408 177.300 -0.049 0.000 1.167 488 P CA 0.303 63.442 63.100 0.065 0.000 0.770 488 P CB 0.327 32.052 31.700 0.041 0.000 0.837 489 R N 0.378 120.798 120.500 -0.133 0.000 2.064 489 R HA -0.006 4.324 4.340 -0.017 0.000 0.228 489 R C 2.646 178.823 176.300 -0.206 0.000 1.144 489 R CA 1.573 57.551 56.100 -0.203 0.000 0.932 489 R CB -1.214 28.962 30.300 -0.207 0.000 0.833 489 R HN 0.042 nan 8.270 nan 0.000 0.429 490 R N -0.774 119.543 120.500 -0.305 0.000 2.081 490 R HA -0.134 4.195 4.340 -0.017 0.000 0.235 490 R C 1.208 177.156 176.300 -0.587 0.000 1.131 490 R CA 1.777 57.533 56.100 -0.572 0.000 0.960 490 R CB -0.185 29.561 30.300 -0.923 0.000 0.856 490 R HN 0.312 nan 8.270 nan 0.000 0.436 491 W N -0.520 120.735 121.300 -0.075 0.000 3.290 491 W HA 0.155 4.804 4.660 -0.018 0.000 0.287 491 W C 1.070 177.556 176.519 -0.055 0.000 1.288 491 W CA -0.692 56.607 57.345 -0.076 0.000 1.725 491 W CB 0.398 29.818 29.460 -0.068 0.000 1.103 491 W HN 0.216 nan 8.180 nan 0.000 0.670 492 L N -2.093 119.186 121.223 0.092 0.000 2.865 492 L HA 0.186 4.515 4.340 -0.017 0.000 0.167 492 L C 1.893 178.775 176.870 0.020 0.000 1.135 492 L CA 0.749 55.635 54.840 0.076 0.000 0.895 492 L CB -0.893 41.238 42.059 0.120 0.000 1.643 492 L HN -0.253 nan 8.230 nan 0.000 0.518 493 V N 1.102 121.006 119.914 -0.017 0.000 2.252 493 V HA -0.311 3.798 4.120 -0.017 0.000 0.249 493 V C 2.452 178.514 176.094 -0.053 0.000 1.056 493 V CA 2.587 64.866 62.300 -0.036 0.000 1.022 493 V CB -0.766 31.007 31.823 -0.084 0.000 0.641 493 V HN 0.525 nan 8.190 nan 0.000 0.445 494 L N 0.389 121.551 121.223 -0.102 0.000 2.044 494 L HA -0.179 4.150 4.340 -0.017 0.000 0.205 494 L C 2.431 179.234 176.870 -0.111 0.000 1.075 494 L CA 2.377 57.141 54.840 -0.127 0.000 0.747 494 L CB -0.230 41.703 42.059 -0.210 0.000 0.903 494 L HN 0.675 nan 8.230 nan 0.000 0.435 495 C N -1.943 117.289 119.300 -0.114 0.000 2.634 495 C HA 0.242 4.692 4.460 -0.017 0.000 0.268 495 C C 1.118 176.089 174.990 -0.031 0.000 1.322 495 C CA -0.364 58.605 59.018 -0.082 0.000 1.737 495 C CB -0.917 26.775 27.740 -0.080 0.000 1.976 495 C HN 0.584 nan 8.230 nan 0.000 0.547 496 N N 1.220 119.912 118.700 -0.013 0.000 2.733 496 N HA 0.290 5.019 4.740 -0.017 0.000 0.271 496 N C -1.798 173.719 175.510 0.012 0.000 1.720 496 N CA -1.595 51.458 53.050 0.004 0.000 0.803 496 N CB 0.872 39.370 38.487 0.018 0.000 1.208 496 N HN 0.216 nan 8.380 nan 0.000 0.498 497 P HA -0.057 nan 4.420 nan 0.000 0.216 497 P C 1.432 178.743 177.300 0.019 0.000 1.153 497 P CA 1.020 64.126 63.100 0.010 0.000 0.848 497 P CB 0.200 31.900 31.700 -0.001 0.000 0.787 498 G N 0.739 109.545 108.800 0.011 0.000 2.476 498 G HA2 -0.272 3.677 3.960 -0.017 0.000 0.218 498 G HA3 -0.272 3.677 3.960 -0.017 0.000 0.218 498 G C 1.554 176.460 174.900 0.010 0.000 1.164 498 G CA 0.901 46.005 45.100 0.007 0.000 0.768 498 G HN 0.258 nan 8.290 nan 0.000 0.560 499 L N 1.259 122.489 121.223 0.011 0.000 2.093 499 L HA 0.251 4.581 4.340 -0.017 0.000 0.208 499 L C 3.048 179.946 176.870 0.047 0.000 1.085 499 L CA 2.015 56.861 54.840 0.011 0.000 0.755 499 L CB -0.707 41.358 42.059 0.009 0.000 0.904 499 L HN 0.236 nan 8.230 nan 0.000 0.435 500 A N -0.918 121.949 122.820 0.079 0.000 1.972 500 A HA -0.225 4.084 4.320 -0.017 0.000 0.219 500 A C 2.227 179.904 177.584 0.155 0.000 1.169 500 A CA 1.709 53.841 52.037 0.159 0.000 0.635 500 A CB -0.555 18.531 19.000 0.142 0.000 0.810 500 A HN 0.543 nan 8.150 nan 0.000 0.446 501 E N 0.651 120.904 120.200 0.088 0.000 2.051 501 E HA -0.121 4.219 4.350 -0.017 0.000 0.189 501 E C 1.816 178.457 176.600 0.068 0.000 0.979 501 E CA 1.399 57.842 56.400 0.072 0.000 0.803 501 E CB -0.510 29.215 29.700 0.041 0.000 0.761 501 E HN 0.723 nan 8.360 nan 0.000 0.451 502 I N -1.554 119.050 120.570 0.056 0.000 2.454 502 I HA -0.126 4.034 4.170 -0.017 0.000 0.254 502 I C 2.055 178.250 176.117 0.129 0.000 1.156 502 I CA 1.119 62.465 61.300 0.076 0.000 1.433 502 I CB -0.298 37.722 38.000 0.033 0.000 1.082 502 I HN 0.023 nan 8.210 nan 0.000 0.432 503 I N 1.791 122.412 120.570 0.085 0.000 2.233 503 I HA -0.151 4.009 4.170 -0.017 0.000 0.243 503 I C 2.995 179.082 176.117 -0.050 0.000 1.093 503 I CA 1.218 62.503 61.300 -0.025 0.000 1.380 503 I CB -0.504 37.370 38.000 -0.209 0.000 1.067 503 I HN 0.294 nan 8.210 nan 0.000 0.413 504 A N 0.614 123.492 122.820 0.096 0.000 1.908 504 A HA -0.242 4.068 4.320 -0.017 0.000 0.218 504 A C 2.171 179.789 177.584 0.057 0.000 1.181 504 A CA 1.733 53.866 52.037 0.160 0.000 0.627 504 A CB -0.655 18.457 19.000 0.187 0.000 0.818 504 A HN 0.451 nan 8.150 nan 0.000 0.445 505 E N -0.632 119.587 120.200 0.032 0.000 2.130 505 E HA -0.230 4.109 4.350 -0.017 0.000 0.196 505 E C 2.238 178.817 176.600 -0.035 0.000 0.998 505 E CA 1.363 57.769 56.400 0.010 0.000 0.806 505 E CB -0.123 29.590 29.700 0.023 0.000 0.738 505 E HN 0.539 nan 8.360 nan 0.000 0.459 506 R N 0.087 120.512 120.500 -0.124 0.000 2.105 506 R HA 0.084 4.414 4.340 -0.017 0.000 0.214 506 R C 2.359 178.558 176.300 -0.168 0.000 1.091 506 R CA 0.897 56.845 56.100 -0.254 0.000 1.007 506 R CB -0.139 29.710 30.300 -0.752 0.000 0.912 506 R HN 0.320 nan 8.270 nan 0.000 0.450 507 I N -2.981 117.505 120.570 -0.141 0.000 4.154 507 I HA 0.433 4.592 4.170 -0.017 0.000 0.334 507 I C 0.481 176.626 176.117 0.046 0.000 1.371 507 I CA 0.091 61.359 61.300 -0.054 0.000 1.110 507 I CB 0.956 38.894 38.000 -0.103 0.000 1.085 507 I HN 0.182 nan 8.210 nan 0.000 0.398 508 G N 1.933 110.775 108.800 0.070 0.000 2.698 508 G HA2 -0.219 3.731 3.960 -0.017 0.000 0.225 508 G HA3 -0.219 3.731 3.960 -0.017 0.000 0.225 508 G C -0.011 175.014 174.900 0.207 0.000 1.345 508 G CA 0.202 45.367 45.100 0.108 0.000 0.871 508 G HN 0.406 nan 8.290 nan 0.000 0.540 509 E N -0.486 119.784 120.200 0.116 0.000 2.476 509 E HA 0.069 4.408 4.350 -0.017 0.000 0.199 509 E C 1.830 178.361 176.600 -0.116 0.000 1.021 509 E CA -0.071 56.332 56.400 0.005 0.000 0.907 509 E CB 0.248 29.948 29.700 -0.000 0.000 0.974 509 E HN 0.460 nan 8.360 nan 0.000 0.489 510 E N 0.442 120.653 120.200 0.018 0.000 2.338 510 E HA -0.154 4.186 4.350 -0.017 0.000 0.197 510 E C 1.644 178.233 176.600 -0.018 0.000 1.007 510 E CA 0.665 57.071 56.400 0.009 0.000 0.849 510 E CB 0.069 29.800 29.700 0.051 0.000 0.774 510 E HN 0.489 nan 8.360 nan 0.000 0.506 511 Y N -1.176 119.124 120.300 0.000 0.000 2.421 511 Y HA -0.022 4.518 4.550 -0.016 0.000 0.292 511 Y C 1.961 177.834 175.900 -0.044 0.000 1.136 511 Y CA 0.513 58.605 58.100 -0.015 0.000 1.255 511 Y CB -0.767 37.685 38.460 -0.012 0.000 0.991 511 Y HN -0.104 nan 8.280 nan 0.000 0.552 512 I N 1.052 121.147 120.570 -0.792 0.000 2.264 512 I HA -0.272 3.887 4.170 -0.017 0.000 0.248 512 I C 1.795 177.660 176.117 -0.420 0.000 1.111 512 I CA 1.971 62.862 61.300 -0.682 0.000 1.382 512 I CB -0.416 37.098 38.000 -0.810 0.000 1.060 512 I HN 0.474 nan 8.210 nan 0.000 0.418 513 S N -1.981 113.567 115.700 -0.252 0.000 2.602 513 S HA 0.177 4.637 4.470 -0.017 0.000 0.240 513 S C 0.123 174.705 174.600 -0.031 0.000 0.992 513 S CA -0.466 57.667 58.200 -0.110 0.000 0.971 513 S CB 0.290 63.502 63.200 0.019 0.000 0.855 513 S HN 0.299 nan 8.310 nan 0.000 0.481 514 D N 0.655 121.046 120.400 -0.015 0.000 2.752 514 D HA 0.231 4.861 4.640 -0.017 0.000 0.242 514 D C 0.173 176.516 176.300 0.071 0.000 1.295 514 D CA -0.371 53.645 54.000 0.027 0.000 0.846 514 D CB 0.505 41.325 40.800 0.034 0.000 1.454 514 D HN 0.103 nan 8.370 nan 0.000 0.535 515 L N 1.474 122.739 121.223 0.070 0.000 2.362 515 L HA 0.059 4.388 4.340 -0.017 0.000 0.219 515 L C 1.414 178.333 176.870 0.081 0.000 1.134 515 L CA 1.362 56.273 54.840 0.118 0.000 0.807 515 L CB 0.004 42.126 42.059 0.105 0.000 0.927 515 L HN 0.260 nan 8.230 nan 0.000 0.447 516 D N -0.578 119.848 120.400 0.042 0.000 2.221 516 D HA -0.225 4.404 4.640 -0.017 0.000 0.204 516 D C 1.903 178.219 176.300 0.027 0.000 0.982 516 D CA 0.889 54.900 54.000 0.017 0.000 0.857 516 D CB 0.043 40.842 40.800 -0.002 0.000 0.934 516 D HN 0.537 nan 8.370 nan 0.000 0.475 517 Q N -0.006 119.827 119.800 0.055 0.000 2.368 517 Q HA -0.088 4.241 4.340 -0.017 0.000 0.210 517 Q C 2.290 178.297 176.000 0.011 0.000 0.982 517 Q CA 0.340 56.175 55.803 0.054 0.000 0.884 517 Q CB -0.047 28.756 28.738 0.107 0.000 0.933 517 Q HN 0.403 nan 8.270 nan 0.000 0.460 518 L N 0.111 121.331 121.223 -0.005 0.000 2.265 518 L HA -0.193 4.137 4.340 -0.017 0.000 0.215 518 L C 2.316 179.166 176.870 -0.033 0.000 1.117 518 L CA 0.824 55.622 54.840 -0.071 0.000 0.782 518 L CB -0.371 41.655 42.059 -0.054 0.000 0.914 518 L HN 0.221 nan 8.230 nan 0.000 0.441 519 R N 0.502 120.998 120.500 -0.006 0.000 2.117 519 R HA -0.196 4.134 4.340 -0.017 0.000 0.243 519 R C 2.093 178.397 176.300 0.006 0.000 1.143 519 R CA 1.265 57.367 56.100 0.003 0.000 0.968 519 R CB -0.291 30.010 30.300 0.002 0.000 0.863 519 R HN 0.407 nan 8.270 nan 0.000 0.444 520 K N 0.663 121.065 120.400 0.003 0.000 2.362 520 K HA -0.131 4.178 4.320 -0.017 0.000 0.202 520 K C 1.874 178.514 176.600 0.067 0.000 1.045 520 K CA 0.878 57.181 56.287 0.026 0.000 0.936 520 K CB -0.145 32.369 32.500 0.024 0.000 0.747 520 K HN 0.249 nan 8.250 nan 0.000 0.467 521 L N 0.448 121.672 121.223 0.002 0.000 2.376 521 L HA -0.128 4.202 4.340 -0.017 0.000 0.219 521 L C 1.876 178.799 176.870 0.088 0.000 1.133 521 L CA 0.020 54.853 54.840 -0.011 0.000 0.816 521 L CB -0.232 41.780 42.059 -0.078 0.000 0.933 521 L HN 0.128 nan 8.230 nan 0.000 0.449 522 L N 0.139 121.398 121.223 0.061 0.000 2.079 522 L HA -0.189 4.140 4.340 -0.017 0.000 0.210 522 L C 2.735 179.616 176.870 0.019 0.000 1.081 522 L CA 2.027 56.894 54.840 0.045 0.000 0.752 522 L CB -1.046 41.025 42.059 0.021 0.000 0.896 522 L HN 0.368 nan 8.230 nan 0.000 0.433 523 S N -2.590 113.097 115.700 -0.021 0.000 2.603 523 S HA -0.111 4.348 4.470 -0.017 0.000 0.229 523 S C 1.286 175.681 174.600 -0.341 0.000 0.972 523 S CA 0.362 58.460 58.200 -0.171 0.000 0.935 523 S CB -0.603 62.456 63.200 -0.235 0.000 0.769 523 S HN 0.483 nan 8.310 nan 0.000 0.536 524 Y N -0.419 119.804 120.300 -0.129 0.000 2.531 524 Y HA 0.423 4.971 4.550 -0.004 0.000 0.249 524 Y C 1.928 177.848 175.900 0.032 0.000 1.168 524 Y CA -0.437 57.573 58.100 -0.150 0.000 1.226 524 Y CB 0.340 38.477 38.460 -0.539 0.000 1.177 524 Y HN 0.271 nan 8.280 nan 0.000 0.527 525 V N 0.280 120.277 119.914 0.140 0.000 2.759 525 V HA -0.186 3.923 4.120 -0.017 0.000 0.256 525 V C 0.978 177.140 176.094 0.112 0.000 1.080 525 V CA 2.138 64.526 62.300 0.148 0.000 1.101 525 V CB 0.005 31.880 31.823 0.087 0.000 0.698 525 V HN 0.352 nan 8.190 nan 0.000 0.477 526 D N -0.772 119.670 120.400 0.070 0.000 2.398 526 D HA 0.099 4.728 4.640 -0.017 0.000 0.210 526 D C 0.442 176.780 176.300 0.063 0.000 1.094 526 D CA -0.028 54.003 54.000 0.051 0.000 0.839 526 D CB 0.127 40.935 40.800 0.013 0.000 0.963 526 D HN 0.451 nan 8.370 nan 0.000 0.506 527 D N 1.612 122.076 120.400 0.108 0.000 2.346 527 D HA -0.041 4.589 4.640 -0.017 0.000 0.260 527 D C 1.075 177.478 176.300 0.172 0.000 1.252 527 D CA 0.104 54.189 54.000 0.142 0.000 0.895 527 D CB 1.558 42.499 40.800 0.235 0.000 1.097 527 D HN -0.147 nan 8.370 nan 0.000 0.489 528 E N 3.154 123.421 120.200 0.111 0.000 2.150 528 E HA -0.115 4.225 4.350 -0.017 0.000 0.193 528 E C 1.735 178.393 176.600 0.097 0.000 0.985 528 E CA 1.188 57.641 56.400 0.087 0.000 0.814 528 E CB 0.053 29.786 29.700 0.054 0.000 0.752 528 E HN 0.588 nan 8.360 nan 0.000 0.466 529 A N -0.255 122.640 122.820 0.125 0.000 1.873 529 A HA -0.118 4.192 4.320 -0.017 0.000 0.215 529 A C 2.174 179.852 177.584 0.157 0.000 1.186 529 A CA 1.181 53.290 52.037 0.121 0.000 0.616 529 A CB -0.937 18.138 19.000 0.126 0.000 0.823 529 A HN 0.434 nan 8.150 nan 0.000 0.442 530 F N 0.528 120.513 119.950 0.057 0.000 2.095 530 F HA -0.197 4.321 4.527 -0.016 0.000 0.298 530 F C 2.081 177.899 175.800 0.029 0.000 1.104 530 F CA 1.825 59.848 58.000 0.039 0.000 1.232 530 F CB -0.154 38.895 39.000 0.082 0.000 0.987 530 F HN 0.171 nan 8.300 nan 0.000 0.475 531 I N 0.256 120.867 120.570 0.068 0.000 2.151 531 I HA -0.391 3.768 4.170 -0.017 0.000 0.243 531 I C 2.603 178.672 176.117 -0.080 0.000 1.080 531 I CA 1.897 63.180 61.300 -0.029 0.000 1.339 531 I CB -0.551 37.478 38.000 0.048 0.000 1.039 531 I HN 0.137 nan 8.210 nan 0.000 0.409 532 R N 0.839 121.317 120.500 -0.037 0.000 2.081 532 R HA -0.196 4.134 4.340 -0.017 0.000 0.235 532 R C 1.859 178.111 176.300 -0.079 0.000 1.131 532 R CA 1.974 58.048 56.100 -0.042 0.000 0.960 532 R CB -0.159 30.135 30.300 -0.009 0.000 0.856 532 R HN 0.286 nan 8.270 nan 0.000 0.436 533 D N -0.162 120.171 120.400 -0.112 0.000 2.097 533 D HA -0.116 4.513 4.640 -0.017 0.000 0.197 533 D C 1.983 178.149 176.300 -0.223 0.000 0.984 533 D CA 1.305 55.219 54.000 -0.143 0.000 0.826 533 D CB -0.243 40.487 40.800 -0.117 0.000 0.973 533 D HN 0.075 nan 8.370 nan 0.000 0.460 534 V N 1.515 121.194 119.914 -0.391 0.000 2.282 534 V HA -0.283 3.826 4.120 -0.017 0.000 0.249 534 V C 2.515 178.514 176.094 -0.159 0.000 1.057 534 V CA 2.055 64.147 62.300 -0.347 0.000 1.032 534 V CB -0.864 30.683 31.823 -0.459 0.000 0.645 534 V HN 0.205 nan 8.190 nan 0.000 0.447 535 A N -0.691 122.058 122.820 -0.118 0.000 1.972 535 A HA -0.241 4.069 4.320 -0.017 0.000 0.219 535 A C 2.364 179.911 177.584 -0.061 0.000 1.169 535 A CA 2.049 54.050 52.037 -0.060 0.000 0.635 535 A CB -0.454 18.516 19.000 -0.050 0.000 0.810 535 A HN 0.534 nan 8.150 nan 0.000 0.446 536 K N -0.205 120.154 120.400 -0.069 0.000 2.025 536 K HA -0.066 4.244 4.320 -0.017 0.000 0.207 536 K C 1.848 178.420 176.600 -0.047 0.000 1.049 536 K CA 1.464 57.719 56.287 -0.053 0.000 0.933 536 K CB -0.271 32.201 32.500 -0.048 0.000 0.714 536 K HN 0.214 nan 8.250 nan 0.000 0.438 537 V N 1.950 121.830 119.914 -0.057 0.000 2.287 537 V HA -0.272 3.838 4.120 -0.017 0.000 0.248 537 V C 2.427 178.504 176.094 -0.029 0.000 1.053 537 V CA 2.095 64.370 62.300 -0.042 0.000 1.027 537 V CB -0.476 31.315 31.823 -0.053 0.000 0.646 537 V HN 0.367 nan 8.190 nan 0.000 0.447 538 K N 0.260 120.642 120.400 -0.031 0.000 2.032 538 K HA -0.237 4.072 4.320 -0.017 0.000 0.209 538 K C 2.166 178.739 176.600 -0.046 0.000 1.048 538 K CA 1.851 58.125 56.287 -0.020 0.000 0.927 538 K CB -0.565 31.939 32.500 0.007 0.000 0.712 538 K HN 0.364 nan 8.250 nan 0.000 0.441 539 Q N 0.939 120.705 119.800 -0.055 0.000 2.096 539 Q HA -0.122 4.208 4.340 -0.017 0.000 0.204 539 Q C 1.723 177.699 176.000 -0.040 0.000 0.982 539 Q CA 2.010 57.772 55.803 -0.069 0.000 0.850 539 Q CB -0.098 28.603 28.738 -0.061 0.000 0.901 539 Q HN 0.518 nan 8.270 nan 0.000 0.422 540 E N -0.680 119.509 120.200 -0.019 0.000 2.106 540 E HA -0.141 4.199 4.350 -0.017 0.000 0.192 540 E C 1.667 178.285 176.600 0.030 0.000 0.984 540 E CA 0.904 57.308 56.400 0.006 0.000 0.806 540 E CB -0.010 29.692 29.700 0.003 0.000 0.750 540 E HN 0.393 nan 8.360 nan 0.000 0.458 541 N N 0.927 119.641 118.700 0.023 0.000 2.166 541 N HA -0.133 4.596 4.740 -0.017 0.000 0.186 541 N C 1.452 177.027 175.510 0.109 0.000 1.019 541 N CA 1.054 54.136 53.050 0.054 0.000 0.856 541 N CB -0.070 38.433 38.487 0.027 0.000 0.993 541 N HN 0.120 nan 8.380 nan 0.000 0.426 542 K N 0.510 120.931 120.400 0.035 0.000 2.057 542 K HA 0.039 4.348 4.320 -0.017 0.000 0.206 542 K C 2.098 178.796 176.600 0.164 0.000 1.050 542 K CA 0.592 56.892 56.287 0.022 0.000 0.935 542 K CB -0.149 32.099 32.500 -0.421 0.000 0.715 542 K HN 0.092 nan 8.250 nan 0.000 0.439 543 L N 1.247 122.522 121.223 0.086 0.000 2.017 543 L HA -0.210 4.119 4.340 -0.017 0.000 0.208 543 L C 2.616 179.575 176.870 0.148 0.000 1.073 543 L CA 1.377 56.280 54.840 0.106 0.000 0.745 543 L CB -0.331 41.762 42.059 0.057 0.000 0.894 543 L HN 0.155 nan 8.230 nan 0.000 0.432 544 K N -0.412 120.079 120.400 0.152 0.000 2.057 544 K HA -0.239 4.070 4.320 -0.017 0.000 0.207 544 K C 2.174 178.924 176.600 0.251 0.000 1.049 544 K CA 1.653 58.041 56.287 0.168 0.000 0.931 544 K CB -0.144 32.439 32.500 0.139 0.000 0.714 544 K HN 0.097 nan 8.250 nan 0.000 0.440 545 F N 0.966 121.013 119.950 0.161 0.000 2.206 545 F HA 0.007 4.524 4.527 -0.017 0.000 0.298 545 F C 1.969 177.925 175.800 0.260 0.000 1.090 545 F CA 1.120 59.244 58.000 0.207 0.000 1.323 545 F CB -0.372 38.752 39.000 0.207 0.000 1.028 545 F HN 0.052 nan 8.300 nan 0.000 0.492 546 A N 0.131 123.107 122.820 0.261 0.000 2.019 546 A HA -0.038 4.271 4.320 -0.017 0.000 0.219 546 A C 2.341 179.946 177.584 0.035 0.000 1.164 546 A CA 1.631 53.752 52.037 0.141 0.000 0.644 546 A CB -1.371 17.791 19.000 0.269 0.000 0.805 546 A HN 0.448 nan 8.150 nan 0.000 0.449 547 A N -1.647 121.216 122.820 0.071 0.000 1.930 547 A HA 0.019 4.329 4.320 -0.017 0.000 0.215 547 A C 2.066 179.655 177.584 0.008 0.000 1.176 547 A CA 1.328 53.389 52.037 0.041 0.000 0.632 547 A CB -0.714 18.328 19.000 0.071 0.000 0.819 547 A HN 0.713 nan 8.150 nan 0.000 0.445 548 Y N 0.732 120.969 120.300 -0.105 0.000 2.145 548 Y HA -0.189 4.351 4.550 -0.017 0.000 0.286 548 Y C 1.905 177.711 175.900 -0.157 0.000 1.145 548 Y CA 1.910 59.935 58.100 -0.125 0.000 1.148 548 Y CB -0.258 38.124 38.460 -0.130 0.000 0.981 548 Y HN 0.207 nan 8.280 nan 0.000 0.507 549 L N 0.107 121.193 121.223 -0.229 0.000 2.046 549 L HA -0.224 4.106 4.340 -0.017 0.000 0.208 549 L C 2.464 179.214 176.870 -0.200 0.000 1.077 549 L CA 1.816 56.518 54.840 -0.230 0.000 0.747 549 L CB -0.601 41.291 42.059 -0.279 0.000 0.896 549 L HN 0.327 nan 8.230 nan 0.000 0.432 550 E N -0.230 119.849 120.200 -0.200 0.000 2.077 550 E HA -0.208 4.132 4.350 -0.017 0.000 0.193 550 E C 2.361 178.835 176.600 -0.210 0.000 0.989 550 E CA 1.048 57.308 56.400 -0.234 0.000 0.800 550 E CB 0.042 29.634 29.700 -0.180 0.000 0.746 550 E HN 0.432 nan 8.360 nan 0.000 0.452 551 R N 0.589 120.965 120.500 -0.207 0.000 2.056 551 R HA -0.091 4.239 4.340 -0.017 0.000 0.227 551 R C 2.082 178.203 176.300 -0.298 0.000 1.149 551 R CA 1.155 57.131 56.100 -0.206 0.000 0.937 551 R CB -0.061 30.142 30.300 -0.163 0.000 0.835 551 R HN -0.042 nan 8.270 nan 0.000 0.430 552 E N -1.212 118.693 120.200 -0.493 0.000 2.435 552 E HA -0.049 4.290 4.350 -0.017 0.000 0.195 552 E C 0.052 176.116 176.600 -0.894 0.000 1.029 552 E CA 0.759 56.730 56.400 -0.715 0.000 0.865 552 E CB 0.445 29.540 29.700 -1.007 0.000 0.833 552 E HN 0.357 nan 8.360 nan 0.000 0.510 553 Y N -1.006 119.123 120.300 -0.285 0.000 2.728 553 Y HA 0.238 4.777 4.550 -0.018 0.000 0.256 553 Y C 0.013 175.816 175.900 -0.161 0.000 1.112 553 Y CA -0.652 57.337 58.100 -0.185 0.000 1.240 553 Y CB 0.851 39.210 38.460 -0.169 0.000 1.337 553 Y HN -0.279 nan 8.280 nan 0.000 0.559 554 K N 0.624 120.964 120.400 -0.099 0.000 3.012 554 K HA -0.139 4.170 4.320 -0.017 0.000 0.259 554 K C -0.472 176.004 176.600 -0.207 0.000 0.989 554 K CA 0.920 57.118 56.287 -0.150 0.000 0.728 554 K CB -2.148 30.309 32.500 -0.071 0.000 1.260 554 K HN 0.269 nan 8.250 nan 0.000 0.480 555 V N -1.460 118.317 119.914 -0.228 0.000 2.495 555 V HA 0.488 4.597 4.120 -0.017 0.000 0.298 555 V C 0.416 176.335 176.094 -0.291 0.000 1.031 555 V CA -0.856 61.324 62.300 -0.200 0.000 0.871 555 V CB 2.085 33.857 31.823 -0.085 0.000 0.988 555 V HN 0.193 nan 8.190 nan 0.000 0.432 556 H N 5.754 124.815 119.070 -0.016 0.000 2.517 556 H HA 0.699 5.244 4.556 -0.018 0.000 0.317 556 H C -0.233 175.087 175.328 -0.014 0.000 1.080 556 H CA -0.077 55.965 56.048 -0.009 0.000 1.301 556 H CB 1.992 31.753 29.762 -0.000 0.000 1.425 556 H HN 0.903 nan 8.280 nan 0.000 0.471 557 I N -0.040 120.593 120.570 0.106 0.000 2.769 557 I HA 0.350 4.509 4.170 -0.017 0.000 0.298 557 I C -0.266 175.933 176.117 0.137 0.000 1.128 557 I CA -1.288 60.062 61.300 0.083 0.000 1.031 557 I CB 2.213 40.222 38.000 0.015 0.000 1.235 557 I HN 0.214 nan 8.210 nan 0.000 0.423 558 N N 5.229 124.011 118.700 0.137 0.000 2.401 558 N HA 0.378 5.108 4.740 -0.017 0.000 0.255 558 N C -1.986 173.668 175.510 0.240 0.000 1.110 558 N CA -2.243 50.895 53.050 0.147 0.000 0.949 558 N CB 0.999 39.545 38.487 0.098 0.000 1.110 558 N HN 0.399 nan 8.380 nan 0.000 0.490 559 P HA 0.069 nan 4.420 nan 0.000 0.237 559 P C 0.040 177.330 177.300 -0.017 0.000 1.178 559 P CA 0.855 64.038 63.100 0.138 0.000 0.766 559 P CB 0.230 31.984 31.700 0.090 0.000 0.876 560 N N -0.778 117.948 118.700 0.043 0.000 2.416 560 N HA -0.022 4.708 4.740 -0.017 0.000 0.177 560 N C 0.592 176.139 175.510 0.062 0.000 1.036 560 N CA 0.014 53.080 53.050 0.027 0.000 0.901 560 N CB -0.030 38.482 38.487 0.042 0.000 0.976 560 N HN 0.150 nan 8.380 nan 0.000 0.444 561 S N 0.507 116.261 115.700 0.091 0.000 2.589 561 S HA 0.090 4.550 4.470 -0.017 0.000 0.265 561 S C 0.104 174.693 174.600 -0.019 0.000 1.342 561 S CA -0.775 57.465 58.200 0.066 0.000 1.005 561 S CB 0.879 64.139 63.200 0.101 0.000 0.909 561 S HN 0.202 nan 8.310 nan 0.000 0.555 562 L N 1.944 122.993 121.223 -0.290 0.000 2.361 562 L HA 0.370 4.700 4.340 -0.017 0.000 0.278 562 L C -0.843 176.006 176.870 -0.036 0.000 1.113 562 L CA -0.582 53.894 54.840 -0.607 0.000 0.849 562 L CB -0.193 41.188 42.059 -1.130 0.000 1.155 562 L HN 0.706 nan 8.230 nan 0.000 0.452 563 F N 4.298 124.116 119.950 -0.221 0.000 2.439 563 F HA 0.088 4.605 4.527 -0.016 0.000 0.356 563 F C 0.415 176.149 175.800 -0.110 0.000 1.161 563 F CA -0.764 57.175 58.000 -0.101 0.000 1.151 563 F CB 0.511 39.499 39.000 -0.019 0.000 1.222 563 F HN 0.535 nan 8.300 nan 0.000 0.558 564 D N 5.019 125.416 120.400 -0.005 0.000 2.443 564 D HA 0.260 4.889 4.640 -0.017 0.000 0.221 564 D C -1.009 175.232 176.300 -0.099 0.000 1.097 564 D CA -0.199 53.756 54.000 -0.074 0.000 0.865 564 D CB 1.261 42.002 40.800 -0.099 0.000 1.034 564 D HN 0.255 nan 8.370 nan 0.000 0.511 565 V N 1.974 121.815 119.914 -0.121 0.000 2.540 565 V HA 0.594 4.703 4.120 -0.017 0.000 0.302 565 V C -1.080 174.871 176.094 -0.239 0.000 1.035 565 V CA -0.756 61.456 62.300 -0.146 0.000 0.873 565 V CB 1.778 33.571 31.823 -0.049 0.000 0.992 565 V HN 0.488 nan 8.190 nan 0.000 0.428 566 Q N 4.065 123.738 119.800 -0.212 0.000 2.394 566 Q HA 0.674 5.004 4.340 -0.017 0.000 0.261 566 Q C -1.300 174.539 176.000 -0.268 0.000 1.023 566 Q CA -0.639 55.025 55.803 -0.232 0.000 0.720 566 Q CB 1.913 30.544 28.738 -0.178 0.000 1.241 566 Q HN 1.205 nan 8.270 nan 0.000 0.483 567 V N 1.877 121.620 119.914 -0.285 0.000 2.531 567 V HA 0.873 4.983 4.120 -0.017 0.000 0.301 567 V C -0.954 174.894 176.094 -0.411 0.000 1.034 567 V CA -0.562 61.399 62.300 -0.565 0.000 0.865 567 V CB 1.352 32.599 31.823 -0.960 0.000 0.995 567 V HN 0.823 nan 8.190 nan 0.000 0.424 568 K N 2.535 122.739 120.400 -0.326 0.000 3.076 568 K HA 0.340 4.649 4.320 -0.017 0.000 0.314 568 K C -1.340 175.296 176.600 0.060 0.000 1.113 568 K CA -1.108 55.178 56.287 -0.001 0.000 0.860 568 K CB 0.817 33.301 32.500 -0.027 0.000 1.435 568 K HN 0.510 nan 8.250 nan 0.000 0.374 569 R N 1.070 121.668 120.500 0.163 0.000 2.640 569 R HA 0.138 4.468 4.340 -0.017 0.000 0.270 569 R C 0.414 176.760 176.300 0.077 0.000 1.024 569 R CA -0.288 55.914 56.100 0.169 0.000 1.085 569 R CB -0.180 30.301 30.300 0.302 0.000 0.963 569 R HN 0.457 nan 8.270 nan 0.000 0.426 570 I N 4.842 125.373 120.570 -0.065 0.000 2.494 570 I HA 0.056 4.216 4.170 -0.017 0.000 0.289 570 I C 0.344 176.204 176.117 -0.429 0.000 1.106 570 I CA 0.397 61.589 61.300 -0.180 0.000 1.369 570 I CB -0.662 37.240 38.000 -0.164 0.000 1.410 570 I HN 0.431 nan 8.210 nan 0.000 0.523 571 H N 3.018 121.980 119.070 -0.180 0.000 2.961 571 H HA 0.265 4.811 4.556 -0.017 0.000 0.371 571 H C 0.585 175.775 175.328 -0.230 0.000 1.190 571 H CA -0.605 55.365 56.048 -0.130 0.000 1.138 571 H CB 1.645 31.273 29.762 -0.223 0.000 1.816 571 H HN 0.444 nan 8.280 nan 0.000 0.551 572 E N 0.733 120.956 120.200 0.038 0.000 2.110 572 E HA -0.230 4.110 4.350 -0.017 0.000 0.193 572 E C 1.167 177.486 176.600 -0.468 0.000 0.988 572 E CA 1.433 57.794 56.400 -0.064 0.000 0.804 572 E CB 0.006 29.864 29.700 0.263 0.000 0.745 572 E HN 0.661 nan 8.360 nan 0.000 0.458 573 Y N 0.768 120.520 120.300 -0.913 0.000 2.373 573 Y HA 0.007 4.547 4.550 -0.018 0.000 0.293 573 Y C 1.489 177.132 175.900 -0.429 0.000 1.129 573 Y CA 0.793 58.209 58.100 -1.139 0.000 1.226 573 Y CB -0.121 37.714 38.460 -1.042 0.000 1.000 573 Y HN -0.216 nan 8.280 nan 0.000 0.549 574 K N 0.789 120.714 120.400 -0.791 0.000 2.432 574 K HA 0.052 4.362 4.320 -0.017 0.000 0.196 574 K C 0.132 176.569 176.600 -0.272 0.000 1.038 574 K CA 0.545 56.514 56.287 -0.530 0.000 0.986 574 K CB -0.077 32.107 32.500 -0.527 0.000 0.782 574 K HN 0.256 nan 8.250 nan 0.000 0.485 575 R N 0.462 120.824 120.500 -0.230 0.000 3.333 575 R HA -0.239 4.090 4.340 -0.017 0.000 0.256 575 R C 0.283 176.505 176.300 -0.130 0.000 1.010 575 R CA 0.234 56.250 56.100 -0.140 0.000 0.680 575 R CB -1.893 28.343 30.300 -0.107 0.000 1.102 575 R HN 0.311 nan 8.270 nan 0.000 0.440 576 Q N 0.353 120.075 119.800 -0.130 0.000 2.248 576 Q HA -0.089 4.241 4.340 -0.017 0.000 0.208 576 Q C 2.054 178.008 176.000 -0.078 0.000 0.984 576 Q CA 1.552 57.294 55.803 -0.103 0.000 0.875 576 Q CB -0.006 28.673 28.738 -0.098 0.000 0.910 576 Q HN 0.591 nan 8.270 nan 0.000 0.433 577 L N -0.732 120.448 121.223 -0.071 0.000 2.093 577 L HA -0.172 4.157 4.340 -0.017 0.000 0.208 577 L C 2.032 178.905 176.870 0.004 0.000 1.085 577 L CA 0.527 55.341 54.840 -0.043 0.000 0.755 577 L CB -0.356 41.689 42.059 -0.023 0.000 0.904 577 L HN 0.309 nan 8.230 nan 0.000 0.435 578 L N 0.249 121.466 121.223 -0.011 0.000 2.042 578 L HA -0.280 4.050 4.340 -0.017 0.000 0.210 578 L C 2.065 178.979 176.870 0.073 0.000 1.076 578 L CA 2.039 56.878 54.840 -0.001 0.000 0.749 578 L CB -0.823 41.123 42.059 -0.188 0.000 0.893 578 L HN 0.298 nan 8.230 nan 0.000 0.432 579 N N -1.711 117.000 118.700 0.019 0.000 2.069 579 N HA -0.250 4.479 4.740 -0.017 0.000 0.191 579 N C 1.967 177.557 175.510 0.133 0.000 1.031 579 N CA 1.698 54.837 53.050 0.150 0.000 0.852 579 N CB -0.163 38.349 38.487 0.041 0.000 1.018 579 N HN 0.507 nan 8.380 nan 0.000 0.423 580 C N 0.532 119.848 119.300 0.028 0.000 2.401 580 C HA -0.105 4.345 4.460 -0.017 0.000 0.276 580 C C 2.587 177.571 174.990 -0.010 0.000 1.233 580 C CA 0.469 59.459 59.018 -0.046 0.000 1.753 580 C CB -1.267 26.395 27.740 -0.129 0.000 2.029 580 C HN 0.508 nan 8.230 nan 0.000 0.478 581 L N -0.532 120.746 121.223 0.093 0.000 2.093 581 L HA -0.177 4.152 4.340 -0.017 0.000 0.208 581 L C 2.746 179.772 176.870 0.260 0.000 1.085 581 L CA 1.700 56.644 54.840 0.174 0.000 0.755 581 L CB -1.049 41.182 42.059 0.287 0.000 0.904 581 L HN 0.591 nan 8.230 nan 0.000 0.435 582 H N 0.092 119.272 119.070 0.182 0.000 2.321 582 H HA -0.147 4.399 4.556 -0.017 0.000 0.300 582 H C 2.258 177.582 175.328 -0.005 0.000 1.087 582 H CA 2.019 58.094 56.048 0.045 0.000 1.319 582 H CB 0.268 30.000 29.762 -0.050 0.000 1.379 582 H HN 0.076 nan 8.280 nan 0.000 0.501 583 V N 1.655 121.497 119.914 -0.120 0.000 2.282 583 V HA -0.299 3.810 4.120 -0.017 0.000 0.249 583 V C 2.859 178.889 176.094 -0.106 0.000 1.057 583 V CA 2.083 64.277 62.300 -0.177 0.000 1.032 583 V CB -0.562 31.203 31.823 -0.096 0.000 0.645 583 V HN 0.405 nan 8.190 nan 0.000 0.447 584 I N -0.323 120.220 120.570 -0.045 0.000 2.394 584 I HA -0.210 3.949 4.170 -0.017 0.000 0.251 584 I C 2.467 178.642 176.117 0.097 0.000 1.136 584 I CA 1.641 62.978 61.300 0.061 0.000 1.425 584 I CB -0.613 37.393 38.000 0.011 0.000 1.079 584 I HN 0.344 nan 8.210 nan 0.000 0.425 585 T N 1.140 115.708 114.554 0.024 0.000 2.708 585 T HA -0.144 4.196 4.350 -0.017 0.000 0.266 585 T C 1.877 176.534 174.700 -0.071 0.000 1.037 585 T CA 1.174 63.279 62.100 0.008 0.000 1.146 585 T CB -0.267 68.630 68.868 0.049 0.000 0.865 585 T HN 0.075 nan 8.240 nan 0.000 0.435 586 L N 0.189 121.299 121.223 -0.189 0.000 2.042 586 L HA -0.051 4.278 4.340 -0.017 0.000 0.210 586 L C 2.121 178.950 176.870 -0.070 0.000 1.076 586 L CA 1.602 56.329 54.840 -0.187 0.000 0.749 586 L CB -1.073 40.806 42.059 -0.301 0.000 0.893 586 L HN 0.358 nan 8.230 nan 0.000 0.432 587 Y N 0.335 120.570 120.300 -0.107 0.000 2.097 587 Y HA -0.308 4.231 4.550 -0.018 0.000 0.282 587 Y C 2.470 178.349 175.900 -0.034 0.000 1.152 587 Y CA 1.954 60.030 58.100 -0.040 0.000 1.136 587 Y CB -0.145 38.337 38.460 0.035 0.000 0.975 587 Y HN 0.277 nan 8.280 nan 0.000 0.498 588 N N 0.429 119.094 118.700 -0.057 0.000 2.166 588 N HA -0.143 4.586 4.740 -0.017 0.000 0.186 588 N C 1.832 177.235 175.510 -0.179 0.000 1.019 588 N CA 1.506 54.459 53.050 -0.161 0.000 0.856 588 N CB -0.375 38.081 38.487 -0.050 0.000 0.993 588 N HN 0.443 nan 8.380 nan 0.000 0.426 589 R N 0.314 120.734 120.500 -0.132 0.000 2.092 589 R HA 0.060 4.390 4.340 -0.017 0.000 0.231 589 R C 2.171 178.385 176.300 -0.143 0.000 1.119 589 R CA 0.712 56.740 56.100 -0.120 0.000 0.970 589 R CB -0.215 30.026 30.300 -0.099 0.000 0.864 589 R HN 0.243 nan 8.270 nan 0.000 0.440 590 I N 0.916 121.377 120.570 -0.182 0.000 2.202 590 I HA -0.265 3.895 4.170 -0.017 0.000 0.242 590 I C 2.086 178.081 176.117 -0.204 0.000 1.091 590 I CA 1.217 62.407 61.300 -0.183 0.000 1.368 590 I CB -0.143 37.749 38.000 -0.180 0.000 1.058 590 I HN 0.003 nan 8.210 nan 0.000 0.410 591 K N 0.828 121.041 120.400 -0.312 0.000 2.209 591 K HA -0.213 4.097 4.320 -0.017 0.000 0.204 591 K C 1.972 178.474 176.600 -0.164 0.000 1.048 591 K CA 1.141 57.267 56.287 -0.269 0.000 0.940 591 K CB -0.317 31.956 32.500 -0.380 0.000 0.729 591 K HN 0.355 nan 8.250 nan 0.000 0.451 592 K N 1.284 121.593 120.400 -0.151 0.000 2.007 592 K HA -0.094 4.216 4.320 -0.017 0.000 0.206 592 K C 0.118 176.671 176.600 -0.079 0.000 1.047 592 K CA 1.153 57.379 56.287 -0.103 0.000 0.937 592 K CB 0.269 32.713 32.500 -0.094 0.000 0.718 592 K HN 0.066 nan 8.250 nan 0.000 0.438 593 E N 0.497 120.649 120.200 -0.080 0.000 2.916 593 E HA 0.127 4.466 4.350 -0.017 0.000 0.217 593 E C -2.275 174.289 176.600 -0.060 0.000 1.100 593 E CA -1.707 54.659 56.400 -0.058 0.000 0.891 593 E CB 1.689 31.362 29.700 -0.045 0.000 1.311 593 E HN 0.206 nan 8.360 nan 0.000 0.421 594 P HA -0.104 nan 4.420 nan 0.000 0.221 594 P C 0.185 177.465 177.300 -0.034 0.000 1.150 594 P CA 1.085 64.151 63.100 -0.057 0.000 0.800 594 P CB 0.229 31.898 31.700 -0.051 0.000 0.787 595 N N -1.196 117.494 118.700 -0.018 0.000 2.276 595 N HA 0.028 4.757 4.740 -0.017 0.000 0.212 595 N C 0.545 176.069 175.510 0.023 0.000 1.127 595 N CA -0.132 52.920 53.050 0.004 0.000 0.834 595 N CB 0.146 38.635 38.487 0.004 0.000 1.014 595 N HN -0.008 nan 8.380 nan 0.000 0.491 596 K N 0.960 121.368 120.400 0.013 0.000 2.098 596 K HA 0.182 4.492 4.320 -0.017 0.000 0.261 596 K C -0.938 175.702 176.600 0.067 0.000 0.987 596 K CA -0.521 55.789 56.287 0.039 0.000 0.916 596 K CB 0.737 33.240 32.500 0.006 0.000 1.039 596 K HN -0.045 nan 8.250 nan 0.000 0.455 597 F N 3.633 123.569 119.950 -0.023 0.000 2.410 597 F HA 0.294 4.810 4.527 -0.017 0.000 0.348 597 F C -0.497 175.288 175.800 -0.025 0.000 1.106 597 F CA -0.353 57.634 58.000 -0.021 0.000 1.163 597 F CB 0.757 39.748 39.000 -0.016 0.000 1.129 597 F HN 0.156 nan 8.300 nan 0.000 0.516 598 V N 3.986 123.308 119.914 -0.987 0.000 2.841 598 V HA 0.533 4.643 4.120 -0.017 0.000 0.310 598 V C -0.716 174.724 176.094 -1.091 0.000 1.090 598 V CA -1.246 60.587 62.300 -0.778 0.000 0.930 598 V CB 0.912 32.508 31.823 -0.377 0.000 1.014 598 V HN 0.594 nan 8.190 nan 0.000 0.425 599 V N 4.763 124.321 119.914 -0.593 0.000 2.493 599 V HA 0.175 4.285 4.120 -0.017 0.000 0.292 599 V C -1.755 174.176 176.094 -0.271 0.000 1.016 599 V CA -0.368 61.750 62.300 -0.305 0.000 1.097 599 V CB 0.218 31.994 31.823 -0.078 0.000 0.947 599 V HN 0.902 nan 8.190 nan 0.000 0.479 600 P HA 0.349 nan 4.420 nan 0.000 0.271 600 P C -0.424 176.794 177.300 -0.137 0.000 1.218 600 P CA -0.155 62.861 63.100 -0.140 0.000 0.780 600 P CB 0.599 32.264 31.700 -0.058 0.000 0.901 601 R N 0.717 121.147 120.500 -0.116 0.000 2.686 601 R HA 0.544 4.873 4.340 -0.017 0.000 0.283 601 R C -0.745 175.517 176.300 -0.062 0.000 0.978 601 R CA -0.628 55.405 56.100 -0.111 0.000 0.897 601 R CB 1.945 32.164 30.300 -0.135 0.000 1.192 601 R HN 0.318 nan 8.270 nan 0.000 0.457 602 T N 2.084 116.616 114.554 -0.037 0.000 2.770 602 T HA 0.238 4.577 4.350 -0.017 0.000 0.297 602 T C -0.254 174.358 174.700 -0.147 0.000 0.997 602 T CA -0.477 61.555 62.100 -0.113 0.000 0.949 602 T CB 1.118 69.848 68.868 -0.230 0.000 0.941 602 T HN 0.134 nan 8.240 nan 0.000 0.457 603 V N 5.862 125.700 119.914 -0.127 0.000 2.348 603 V HA 0.398 4.507 4.120 -0.017 0.000 0.270 603 V C 0.044 176.060 176.094 -0.129 0.000 1.037 603 V CA -0.399 61.833 62.300 -0.113 0.000 0.872 603 V CB 0.579 32.353 31.823 -0.082 0.000 1.002 603 V HN 0.866 nan 8.190 nan 0.000 0.464 604 M N 6.563 126.075 119.600 -0.147 0.000 2.167 604 M HA 0.611 5.081 4.480 -0.017 0.000 0.333 604 M C -1.009 175.184 176.300 -0.177 0.000 1.030 604 M CA -0.148 55.056 55.300 -0.161 0.000 0.963 604 M CB 1.918 34.417 32.600 -0.167 0.000 1.589 604 M HN 0.434 nan 8.290 nan 0.000 0.431 605 I N 1.998 122.447 120.570 -0.201 0.000 2.498 605 I HA 0.828 4.987 4.170 -0.017 0.000 0.290 605 I C 0.125 175.934 176.117 -0.513 0.000 1.032 605 I CA -0.553 60.604 61.300 -0.239 0.000 1.073 605 I CB 2.261 40.208 38.000 -0.088 0.000 1.251 605 I HN 0.774 nan 8.210 nan 0.000 0.426 606 G N 2.879 111.341 108.800 -0.562 0.000 2.690 606 G HA2 0.856 4.805 3.960 -0.017 0.000 0.291 606 G HA3 0.856 4.805 3.960 -0.017 0.000 0.291 606 G C -0.980 173.650 174.900 -0.450 0.000 1.403 606 G CA -0.734 43.887 45.100 -0.797 0.000 0.864 606 G HN 1.001 nan 8.290 nan 0.000 0.480 607 G N -0.603 108.076 108.800 -0.201 0.000 2.312 607 G HA2 0.369 4.319 3.960 -0.017 0.000 0.347 607 G HA3 0.369 4.319 3.960 -0.017 0.000 0.347 607 G C -1.229 173.805 174.900 0.223 0.000 1.564 607 G CA -1.026 44.127 45.100 0.088 0.000 0.981 607 G HN 0.599 nan 8.290 nan 0.000 0.678 608 K N 0.003 120.528 120.400 0.209 0.000 2.118 608 K HA 0.728 5.038 4.320 -0.017 0.000 0.267 608 K C 0.399 177.105 176.600 0.178 0.000 0.991 608 K CA -0.058 56.365 56.287 0.226 0.000 0.916 608 K CB 1.915 34.473 32.500 0.097 0.000 1.041 608 K HN 0.900 nan 8.250 nan 0.000 0.455 609 A N 1.583 124.529 122.820 0.209 0.000 2.301 609 A HA 0.601 4.911 4.320 -0.017 0.000 0.312 609 A C -0.353 177.372 177.584 0.235 0.000 1.182 609 A CA -0.701 51.392 52.037 0.093 0.000 0.826 609 A CB 0.870 19.858 19.000 -0.020 0.000 1.134 609 A HN 0.783 nan 8.150 nan 0.000 0.501 610 A N 3.836 126.778 122.820 0.202 0.000 2.520 610 A HA 0.454 4.764 4.320 -0.017 0.000 0.245 610 A C -1.326 176.346 177.584 0.145 0.000 1.072 610 A CA -0.792 51.393 52.037 0.247 0.000 0.761 610 A CB -0.381 18.764 19.000 0.242 0.000 1.004 610 A HN 0.614 nan 8.150 nan 0.000 0.499 611 P HA -0.170 nan 4.420 nan 0.000 0.217 611 P C 1.299 178.591 177.300 -0.013 0.000 1.151 611 P CA 2.092 65.141 63.100 -0.085 0.000 0.849 611 P CB 0.220 31.824 31.700 -0.160 0.000 0.787 612 G N -3.272 105.548 108.800 0.033 0.000 3.189 612 G HA2 -0.056 3.893 3.960 -0.017 0.000 0.225 612 G HA3 -0.056 3.893 3.960 -0.017 0.000 0.225 612 G C -0.273 174.670 174.900 0.073 0.000 1.159 612 G CA -0.117 45.002 45.100 0.032 0.000 0.763 612 G HN 0.306 nan 8.290 nan 0.000 0.549 613 Y N 1.752 122.015 120.300 -0.062 0.000 2.650 613 Y HA 0.197 4.736 4.550 -0.017 0.000 0.343 613 Y C 1.627 177.523 175.900 -0.006 0.000 1.078 613 Y CA -1.091 56.963 58.100 -0.076 0.000 1.356 613 Y CB 0.202 38.599 38.460 -0.105 0.000 1.204 613 Y HN 0.307 nan 8.280 nan 0.000 0.508 614 H N 4.472 123.667 119.070 0.210 0.000 2.321 614 H HA -0.204 4.342 4.556 -0.017 0.000 0.300 614 H C 1.781 177.149 175.328 0.066 0.000 1.087 614 H CA 2.273 58.383 56.048 0.103 0.000 1.319 614 H CB 0.347 30.158 29.762 0.080 0.000 1.379 614 H HN 0.729 nan 8.280 nan 0.000 0.501 615 M N 1.208 120.829 119.600 0.036 0.000 2.108 615 M HA -0.088 4.381 4.480 -0.017 0.000 0.261 615 M C 2.542 178.634 176.300 -0.346 0.000 1.066 615 M CA 1.898 57.138 55.300 -0.101 0.000 1.107 615 M CB -0.821 31.864 32.600 0.141 0.000 1.356 615 M HN 0.349 nan 8.290 nan 0.000 0.406 616 A N -0.558 121.829 122.820 -0.721 0.000 1.933 616 A HA -0.179 4.130 4.320 -0.017 0.000 0.218 616 A C 2.206 179.575 177.584 -0.358 0.000 1.175 616 A CA 1.798 53.398 52.037 -0.728 0.000 0.628 616 A CB -0.626 17.683 19.000 -1.150 0.000 0.814 616 A HN 0.586 nan 8.150 nan 0.000 0.444 617 K N -1.127 119.119 120.400 -0.257 0.000 2.148 617 K HA -0.037 4.272 4.320 -0.017 0.000 0.204 617 K C 1.924 178.467 176.600 -0.096 0.000 1.050 617 K CA 1.197 57.418 56.287 -0.111 0.000 0.942 617 K CB -0.201 32.297 32.500 -0.003 0.000 0.724 617 K HN 0.336 nan 8.250 nan 0.000 0.446 618 M N 0.556 120.059 119.600 -0.161 0.000 2.175 618 M HA -0.094 4.376 4.480 -0.017 0.000 0.264 618 M C 2.098 178.338 176.300 -0.100 0.000 1.063 618 M CA 1.419 56.664 55.300 -0.091 0.000 1.119 618 M CB -0.636 31.903 32.600 -0.101 0.000 1.377 618 M HN 0.129 nan 8.290 nan 0.000 0.415 619 I N -0.153 120.321 120.570 -0.158 0.000 2.179 619 I HA -0.308 3.851 4.170 -0.017 0.000 0.242 619 I C 2.303 178.292 176.117 -0.212 0.000 1.088 619 I CA 1.113 62.310 61.300 -0.171 0.000 1.357 619 I CB -0.349 37.546 38.000 -0.175 0.000 1.051 619 I HN 0.163 nan 8.210 nan 0.000 0.409 620 I N 0.747 121.167 120.570 -0.250 0.000 2.163 620 I HA -0.337 3.822 4.170 -0.017 0.000 0.243 620 I C 2.609 178.442 176.117 -0.474 0.000 1.085 620 I CA 1.384 62.439 61.300 -0.407 0.000 1.347 620 I CB -0.328 37.404 38.000 -0.446 0.000 1.044 620 I HN 0.175 nan 8.210 nan 0.000 0.408 621 K N 1.429 121.561 120.400 -0.447 0.000 2.057 621 K HA -0.151 4.158 4.320 -0.017 0.000 0.207 621 K C 2.025 178.469 176.600 -0.260 0.000 1.049 621 K CA 1.508 57.453 56.287 -0.570 0.000 0.931 621 K CB -0.577 31.321 32.500 -1.003 0.000 0.714 621 K HN 0.239 nan 8.250 nan 0.000 0.440 622 L N 0.358 121.472 121.223 -0.182 0.000 2.012 622 L HA -0.185 4.144 4.340 -0.017 0.000 0.210 622 L C 2.226 178.877 176.870 -0.364 0.000 1.073 622 L CA 1.755 56.339 54.840 -0.428 0.000 0.748 622 L CB -0.321 41.415 42.059 -0.537 0.000 0.891 622 L HN 0.271 nan 8.230 nan 0.000 0.431 623 I N -0.176 120.226 120.570 -0.280 0.000 2.127 623 I HA -0.367 3.792 4.170 -0.017 0.000 0.241 623 I C 2.658 178.673 176.117 -0.170 0.000 1.075 623 I CA 2.070 63.254 61.300 -0.194 0.000 1.334 623 I CB -0.623 37.335 38.000 -0.069 0.000 1.040 623 I HN 0.441 nan 8.210 nan 0.000 0.405 624 T N -0.690 113.736 114.554 -0.215 0.000 2.788 624 T HA -0.149 4.190 4.350 -0.017 0.000 0.268 624 T C 1.957 176.593 174.700 -0.107 0.000 1.044 624 T CA 1.093 63.096 62.100 -0.162 0.000 1.139 624 T CB -0.580 68.144 68.868 -0.240 0.000 0.867 624 T HN 0.362 nan 8.240 nan 0.000 0.454 625 A N 1.365 124.119 122.820 -0.111 0.000 1.930 625 A HA 0.163 4.473 4.320 -0.017 0.000 0.217 625 A C 2.384 179.982 177.584 0.024 0.000 1.175 625 A CA 1.239 53.276 52.037 0.000 0.000 0.627 625 A CB -0.777 18.306 19.000 0.138 0.000 0.815 625 A HN 0.613 nan 8.150 nan 0.000 0.443 626 I N -0.352 120.136 120.570 -0.136 0.000 2.252 626 I HA -0.172 3.987 4.170 -0.017 0.000 0.245 626 I C 2.697 178.779 176.117 -0.060 0.000 1.102 626 I CA 1.059 62.272 61.300 -0.146 0.000 1.385 626 I CB -0.602 37.188 38.000 -0.350 0.000 1.064 626 I HN 0.381 nan 8.210 nan 0.000 0.414 627 G N 0.537 109.294 108.800 -0.071 0.000 2.440 627 G HA2 -0.253 3.696 3.960 -0.017 0.000 0.218 627 G HA3 -0.253 3.696 3.960 -0.017 0.000 0.218 627 G C 1.254 176.138 174.900 -0.027 0.000 1.154 627 G CA 0.944 46.007 45.100 -0.061 0.000 0.767 627 G HN 0.279 nan 8.290 nan 0.000 0.552 628 D N 0.084 120.509 120.400 0.042 0.000 2.149 628 D HA -0.093 4.537 4.640 -0.017 0.000 0.198 628 D C 2.696 179.102 176.300 0.178 0.000 0.990 628 D CA 0.767 54.859 54.000 0.154 0.000 0.839 628 D CB -0.248 40.608 40.800 0.093 0.000 0.948 628 D HN 0.249 nan 8.370 nan 0.000 0.460 629 V N 0.149 120.096 119.914 0.055 0.000 2.379 629 V HA -0.127 3.982 4.120 -0.017 0.000 0.243 629 V C 2.573 178.620 176.094 -0.078 0.000 1.035 629 V CA 0.727 63.004 62.300 -0.038 0.000 1.035 629 V CB -0.161 31.587 31.823 -0.125 0.000 0.673 629 V HN 0.030 nan 8.190 nan 0.000 0.457 630 V N 0.864 120.689 119.914 -0.148 0.000 2.307 630 V HA -0.183 3.926 4.120 -0.017 0.000 0.245 630 V C 2.103 178.160 176.094 -0.062 0.000 1.045 630 V CA 1.984 64.204 62.300 -0.133 0.000 1.024 630 V CB -0.812 30.929 31.823 -0.137 0.000 0.651 630 V HN 0.563 nan 8.190 nan 0.000 0.449 631 N N -0.329 118.265 118.700 -0.176 0.000 2.550 631 N HA -0.079 4.651 4.740 -0.017 0.000 0.186 631 N C 1.077 176.309 175.510 -0.464 0.000 1.110 631 N CA 0.846 53.699 53.050 -0.329 0.000 0.912 631 N CB -0.268 37.956 38.487 -0.439 0.000 0.968 631 N HN 0.700 nan 8.380 nan 0.000 0.448 632 H N -1.782 117.297 119.070 0.016 0.000 2.923 632 H HA 0.201 4.747 4.556 -0.017 0.000 0.268 632 H C -0.528 174.817 175.328 0.029 0.000 1.148 632 H CA -0.514 55.543 56.048 0.015 0.000 1.146 632 H CB 0.765 30.526 29.762 -0.002 0.000 1.607 632 H HN -0.009 nan 8.280 nan 0.000 0.566 633 D N 2.022 122.500 120.400 0.130 0.000 2.339 633 D HA 0.037 4.667 4.640 -0.017 0.000 0.241 633 D C -1.655 174.701 176.300 0.094 0.000 1.183 633 D CA -1.858 52.227 54.000 0.142 0.000 0.859 633 D CB 1.687 42.644 40.800 0.262 0.000 1.067 633 D HN 0.118 nan 8.370 nan 0.000 0.484 634 P HA -0.117 nan 4.420 nan 0.000 0.218 634 P C 1.606 178.923 177.300 0.029 0.000 1.149 634 P CA 0.369 63.495 63.100 0.042 0.000 0.817 634 P CB 0.411 32.132 31.700 0.034 0.000 0.785 635 V N -0.589 119.342 119.914 0.028 0.000 2.490 635 V HA -0.175 3.935 4.120 -0.017 0.000 0.250 635 V C 2.428 178.521 176.094 -0.002 0.000 1.061 635 V CA 1.538 63.840 62.300 0.004 0.000 1.064 635 V CB -1.058 30.757 31.823 -0.014 0.000 0.670 635 V HN -0.012 nan 8.190 nan 0.000 0.461 636 V N -0.266 119.662 119.914 0.023 0.000 2.379 636 V HA 0.117 4.226 4.120 -0.017 0.000 0.245 636 V C 1.799 177.896 176.094 0.004 0.000 1.044 636 V CA 1.641 63.953 62.300 0.020 0.000 1.036 636 V CB -1.137 30.741 31.823 0.091 0.000 0.664 636 V HN 0.747 nan 8.190 nan 0.000 0.453 637 G N 1.497 110.304 108.800 0.012 0.000 2.531 637 G HA2 -0.333 3.617 3.960 -0.017 0.000 0.274 637 G HA3 -0.333 3.617 3.960 -0.017 0.000 0.274 637 G C 0.260 175.159 174.900 -0.002 0.000 1.159 637 G CA 0.355 45.457 45.100 0.004 0.000 0.969 637 G HN 0.667 nan 8.290 nan 0.000 0.554 638 D N 0.471 120.869 120.400 -0.003 0.000 2.525 638 D HA 0.214 4.843 4.640 -0.017 0.000 0.229 638 D C 1.678 177.970 176.300 -0.013 0.000 1.202 638 D CA -0.114 53.885 54.000 -0.002 0.000 0.828 638 D CB 0.017 40.824 40.800 0.012 0.000 1.008 638 D HN 0.587 nan 8.370 nan 0.000 0.493 639 R N -0.616 119.866 120.500 -0.031 0.000 2.173 639 R HA 0.206 4.535 4.340 -0.017 0.000 0.208 639 R C 0.047 176.304 176.300 -0.071 0.000 1.035 639 R CA 0.224 56.283 56.100 -0.067 0.000 1.004 639 R CB 0.405 30.646 30.300 -0.098 0.000 0.917 639 R HN 0.101 nan 8.270 nan 0.000 0.462 640 L N 0.691 121.888 121.223 -0.043 0.000 2.470 640 L HA 0.414 4.743 4.340 -0.017 0.000 0.268 640 L C -1.510 175.337 176.870 -0.037 0.000 0.964 640 L CA -0.504 54.310 54.840 -0.042 0.000 0.839 640 L CB 1.845 43.892 42.059 -0.019 0.000 1.276 640 L HN -0.176 nan 8.230 nan 0.000 0.403 641 R N 4.062 124.528 120.500 -0.057 0.000 2.574 641 R HA 0.694 5.024 4.340 -0.017 0.000 0.288 641 R C -1.714 174.535 176.300 -0.085 0.000 1.004 641 R CA -0.729 55.329 56.100 -0.070 0.000 0.895 641 R CB 2.334 32.595 30.300 -0.065 0.000 1.191 641 R HN 0.427 nan 8.270 nan 0.000 0.444 642 V N 5.264 125.127 119.914 -0.086 0.000 2.350 642 V HA 0.432 4.541 4.120 -0.017 0.000 0.285 642 V C -0.073 175.980 176.094 -0.068 0.000 1.014 642 V CA -0.716 61.535 62.300 -0.082 0.000 0.831 642 V CB 1.624 33.397 31.823 -0.083 0.000 1.000 642 V HN 0.484 nan 8.190 nan 0.000 0.433 643 I N 4.835 125.362 120.570 -0.071 0.000 2.404 643 I HA 0.416 4.576 4.170 -0.017 0.000 0.293 643 I C -0.471 175.632 176.117 -0.023 0.000 0.992 643 I CA -0.812 60.455 61.300 -0.055 0.000 1.149 643 I CB 1.670 39.610 38.000 -0.100 0.000 1.315 643 I HN 0.544 nan 8.210 nan 0.000 0.446 644 F N 6.830 126.714 119.950 -0.110 0.000 2.391 644 F HA 0.421 4.937 4.527 -0.017 0.000 0.359 644 F C -0.152 175.582 175.800 -0.111 0.000 1.122 644 F CA -0.515 57.421 58.000 -0.106 0.000 1.120 644 F CB 0.709 39.649 39.000 -0.099 0.000 1.142 644 F HN 0.246 nan 8.300 nan 0.000 0.483 645 L N 6.367 127.168 121.223 -0.704 0.000 2.342 645 L HA 0.192 4.522 4.340 -0.017 0.000 0.285 645 L C 0.400 176.964 176.870 -0.510 0.000 1.095 645 L CA -0.122 54.427 54.840 -0.484 0.000 0.843 645 L CB 0.378 42.248 42.059 -0.315 0.000 1.201 645 L HN 0.653 nan 8.230 nan 0.000 0.445 646 E N 3.886 123.962 120.200 -0.207 0.000 2.383 646 E HA -0.073 4.266 4.350 -0.017 0.000 0.264 646 E C 0.547 177.200 176.600 0.088 0.000 1.050 646 E CA -0.327 56.111 56.400 0.064 0.000 0.896 646 E CB 0.457 30.207 29.700 0.082 0.000 0.982 646 E HN 0.562 nan 8.360 nan 0.000 0.424 647 N N 2.209 121.024 118.700 0.192 0.000 2.740 647 N HA -0.286 4.444 4.740 -0.017 0.000 0.248 647 N C -1.427 174.175 175.510 0.154 0.000 1.062 647 N CA 0.626 53.786 53.050 0.183 0.000 0.704 647 N CB -1.702 36.907 38.487 0.204 0.000 0.968 647 N HN 0.501 nan 8.380 nan 0.000 0.547 648 Y N 1.503 121.809 120.300 0.010 0.000 2.811 648 Y HA 0.151 4.690 4.550 -0.018 0.000 0.334 648 Y C 1.129 177.050 175.900 0.034 0.000 1.247 648 Y CA 0.927 59.022 58.100 -0.009 0.000 1.526 648 Y CB 0.354 38.774 38.460 -0.066 0.000 1.284 648 Y HN 0.389 nan 8.280 nan 0.000 0.586 649 R N 2.285 122.393 120.500 -0.654 0.000 2.780 649 R HA 0.342 4.672 4.340 -0.017 0.000 0.280 649 R C -0.699 175.282 176.300 -0.532 0.000 1.016 649 R CA -0.505 55.334 56.100 -0.436 0.000 0.854 649 R CB 0.152 30.401 30.300 -0.086 0.000 1.293 649 R HN 0.376 nan 8.270 nan 0.000 0.483 650 V N 1.129 120.757 119.914 -0.476 0.000 2.282 650 V HA -0.304 3.806 4.120 -0.017 0.000 0.249 650 V C 2.615 178.597 176.094 -0.187 0.000 1.057 650 V CA 2.910 64.996 62.300 -0.358 0.000 1.032 650 V CB -0.826 30.736 31.823 -0.435 0.000 0.645 650 V HN 0.919 nan 8.190 nan 0.000 0.447 651 S N -0.026 115.582 115.700 -0.154 0.000 2.399 651 S HA -0.187 4.273 4.470 -0.017 0.000 0.231 651 S C 1.937 176.496 174.600 -0.068 0.000 1.022 651 S CA 1.727 59.866 58.200 -0.103 0.000 0.983 651 S CB -0.529 62.636 63.200 -0.058 0.000 0.803 651 S HN 0.391 nan 8.310 nan 0.000 0.480 652 L N 1.913 123.106 121.223 -0.050 0.000 2.109 652 L HA 0.309 4.639 4.340 -0.017 0.000 0.207 652 L C 2.700 179.599 176.870 0.048 0.000 1.086 652 L CA 1.414 56.267 54.840 0.022 0.000 0.760 652 L CB -1.276 40.851 42.059 0.115 0.000 0.910 652 L HN 0.368 nan 8.230 nan 0.000 0.437 653 A N -0.713 122.124 122.820 0.028 0.000 1.902 653 A HA -0.237 4.072 4.320 -0.017 0.000 0.217 653 A C 2.136 179.787 177.584 0.112 0.000 1.181 653 A CA 1.821 53.942 52.037 0.140 0.000 0.623 653 A CB -0.615 18.455 19.000 0.115 0.000 0.818 653 A HN 0.586 nan 8.150 nan 0.000 0.443 654 E N -0.426 119.830 120.200 0.093 0.000 2.265 654 E HA -0.167 4.172 4.350 -0.017 0.000 0.196 654 E C 1.891 178.466 176.600 -0.042 0.000 0.996 654 E CA 1.218 57.632 56.400 0.023 0.000 0.832 654 E CB -0.044 29.574 29.700 -0.137 0.000 0.756 654 E HN 0.634 nan 8.360 nan 0.000 0.491 655 K N 0.016 120.371 120.400 -0.074 0.000 2.121 655 K HA 0.023 4.333 4.320 -0.017 0.000 0.203 655 K C 2.170 178.599 176.600 -0.284 0.000 1.041 655 K CA 0.478 56.702 56.287 -0.106 0.000 0.969 655 K CB -0.122 32.321 32.500 -0.095 0.000 0.799 655 K HN -0.053 nan 8.250 nan 0.000 0.456 656 V N 2.044 121.703 119.914 -0.425 0.000 2.548 656 V HA -0.159 3.950 4.120 -0.017 0.000 0.249 656 V C 1.895 177.740 176.094 -0.415 0.000 1.055 656 V CA 1.351 63.183 62.300 -0.780 0.000 1.065 656 V CB -0.212 31.282 31.823 -0.548 0.000 0.681 656 V HN 0.254 nan 8.190 nan 0.000 0.462 657 I N 0.648 121.030 120.570 -0.312 0.000 2.142 657 I HA -0.117 4.043 4.170 -0.017 0.000 0.240 657 I C -0.178 175.814 176.117 -0.208 0.000 1.078 657 I CA 1.596 62.646 61.300 -0.416 0.000 1.343 657 I CB -1.584 36.039 38.000 -0.628 0.000 1.046 657 I HN 0.356 nan 8.210 nan 0.000 0.405 658 P HA -0.136 nan 4.420 nan 0.000 0.223 658 P C 0.953 178.241 177.300 -0.020 0.000 1.144 658 P CA 1.292 64.362 63.100 -0.050 0.000 0.783 658 P CB -0.014 31.668 31.700 -0.030 0.000 0.771 659 A N -1.208 121.582 122.820 -0.050 0.000 2.275 659 A HA 0.453 4.763 4.320 -0.017 0.000 0.212 659 A C 1.193 178.869 177.584 0.153 0.000 1.201 659 A CA 0.160 52.221 52.037 0.040 0.000 0.843 659 A CB -0.651 18.381 19.000 0.053 0.000 0.873 659 A HN 0.207 nan 8.150 nan 0.000 0.492 660 A N -0.015 122.894 122.820 0.148 0.000 2.354 660 A HA 0.474 4.783 4.320 -0.017 0.000 0.269 660 A C 0.347 178.075 177.584 0.240 0.000 1.109 660 A CA -0.213 51.978 52.037 0.256 0.000 0.800 660 A CB 0.356 19.587 19.000 0.385 0.000 1.045 660 A HN 0.276 nan 8.150 nan 0.000 0.489 661 D N 0.635 121.178 120.400 0.239 0.000 2.338 661 D HA 0.100 4.730 4.640 -0.017 0.000 0.224 661 D C 0.128 176.646 176.300 0.364 0.000 0.967 661 D CA 0.803 54.998 54.000 0.324 0.000 0.896 661 D CB 0.264 41.171 40.800 0.179 0.000 1.028 661 D HN 0.371 nan 8.370 nan 0.000 0.493 662 L N 0.981 122.305 121.223 0.168 0.000 2.356 662 L HA 0.293 4.622 4.340 -0.017 0.000 0.277 662 L C -0.818 175.951 176.870 -0.169 0.000 0.996 662 L CA -0.324 54.540 54.840 0.039 0.000 0.822 662 L CB 2.127 44.176 42.059 -0.017 0.000 1.256 662 L HN -0.191 nan 8.230 nan 0.000 0.413 663 S N 4.153 119.669 115.700 -0.306 0.000 2.422 663 S HA 0.318 4.777 4.470 -0.017 0.000 0.308 663 S C -0.404 173.938 174.600 -0.430 0.000 1.097 663 S CA -0.682 57.102 58.200 -0.693 0.000 1.099 663 S CB 0.598 63.332 63.200 -0.775 0.000 0.976 663 S HN 0.542 nan 8.310 nan 0.000 0.471 664 E N 4.134 124.087 120.200 -0.411 0.000 2.044 664 E HA 0.192 4.532 4.350 -0.017 0.000 0.282 664 E C -0.502 175.989 176.600 -0.181 0.000 1.031 664 E CA -0.361 55.918 56.400 -0.201 0.000 0.824 664 E CB 0.931 30.541 29.700 -0.150 0.000 1.076 664 E HN 0.601 nan 8.360 nan 0.000 0.395 665 Q N 2.853 122.603 119.800 -0.083 0.000 2.965 665 Q HA 0.268 4.597 4.340 -0.017 0.000 0.288 665 Q C 0.668 176.659 176.000 -0.015 0.000 0.974 665 Q CA -0.128 55.638 55.803 -0.061 0.000 0.849 665 Q CB 0.208 28.920 28.738 -0.044 0.000 1.280 665 Q HN 0.609 nan 8.270 nan 0.000 0.441 666 I N -1.761 118.788 120.570 -0.035 0.000 3.654 666 I HA 0.266 4.425 4.170 -0.017 0.000 0.337 666 I C 0.399 176.470 176.117 -0.076 0.000 1.568 666 I CA -0.699 60.592 61.300 -0.015 0.000 1.115 666 I CB 0.444 38.448 38.000 0.006 0.000 1.300 666 I HN 0.001 nan 8.210 nan 0.000 0.471 667 S N 0.639 116.296 115.700 -0.072 0.000 2.558 667 S HA 0.119 4.578 4.470 -0.017 0.000 0.288 667 S C 0.586 175.170 174.600 -0.027 0.000 1.318 667 S CA -0.191 57.989 58.200 -0.033 0.000 1.056 667 S CB 0.164 63.397 63.200 0.056 0.000 0.853 667 S HN 0.408 nan 8.310 nan 0.000 0.505 668 T N 3.095 117.663 114.554 0.022 0.000 2.908 668 T HA 0.359 4.699 4.350 -0.017 0.000 0.301 668 T C 0.796 175.504 174.700 0.013 0.000 1.019 668 T CA 0.299 62.418 62.100 0.031 0.000 1.152 668 T CB -0.066 68.888 68.868 0.144 0.000 0.966 668 T HN 1.039 nan 8.240 nan 0.000 0.540 669 A N 2.742 125.539 122.820 -0.038 0.000 2.567 669 A HA 0.459 4.769 4.320 -0.017 0.000 0.240 669 A C 1.655 179.229 177.584 -0.016 0.000 1.053 669 A CA 0.268 52.279 52.037 -0.044 0.000 0.755 669 A CB -0.844 18.118 19.000 -0.065 0.000 0.978 669 A HN 1.736 nan 8.150 nan 0.000 0.507 670 G N 1.297 110.086 108.800 -0.020 0.000 2.176 670 G HA2 -0.252 3.698 3.960 -0.017 0.000 0.232 670 G HA3 -0.252 3.698 3.960 -0.017 0.000 0.232 670 G C 0.883 175.763 174.900 -0.034 0.000 0.986 670 G CA 1.160 46.250 45.100 -0.018 0.000 0.643 670 G HN 1.986 nan 8.290 nan 0.000 0.522 671 T N -2.454 112.074 114.554 -0.043 0.000 3.018 671 T HA 0.417 4.757 4.350 -0.017 0.000 0.246 671 T C 0.732 175.249 174.700 -0.305 0.000 1.026 671 T CA 1.071 63.071 62.100 -0.166 0.000 1.081 671 T CB 0.596 69.404 68.868 -0.100 0.000 0.970 671 T HN 0.303 nan 8.240 nan 0.000 0.475 672 E N 1.381 121.536 120.200 -0.075 0.000 2.044 672 E HA 0.675 5.014 4.350 -0.017 0.000 0.282 672 E C 1.140 177.677 176.600 -0.106 0.000 1.031 672 E CA 0.017 56.416 56.400 -0.003 0.000 0.824 672 E CB 0.866 30.636 29.700 0.117 0.000 1.076 672 E HN 0.308 nan 8.360 nan 0.000 0.395 673 A N 3.445 126.126 122.820 -0.232 0.000 1.892 673 A HA -0.218 4.092 4.320 -0.017 0.000 0.218 673 A C 1.977 179.423 177.584 -0.230 0.000 1.188 673 A CA 2.318 54.072 52.037 -0.473 0.000 0.631 673 A CB -0.312 18.191 19.000 -0.828 0.000 0.822 673 A HN 0.611 nan 8.150 nan 0.000 0.447 674 S N -3.803 111.829 115.700 -0.114 0.000 3.984 674 S HA 0.452 4.912 4.470 -0.017 0.000 0.221 674 S C 0.729 175.318 174.600 -0.018 0.000 1.149 674 S CA 1.441 59.623 58.200 -0.029 0.000 0.950 674 S CB -0.130 63.079 63.200 0.014 0.000 1.216 674 S HN 2.290 nan 8.310 nan 0.000 0.547 675 G N 0.377 109.172 108.800 -0.008 0.000 2.722 675 G HA2 -0.055 3.894 3.960 -0.017 0.000 0.686 675 G HA3 -0.055 3.894 3.960 -0.017 0.000 0.686 675 G C 0.255 175.141 174.900 -0.023 0.000 1.282 675 G CA 0.446 45.540 45.100 -0.010 0.000 0.817 675 G HN 1.332 nan 8.290 nan 0.000 0.605 676 T N -1.579 112.950 114.554 -0.041 0.000 3.010 676 T HA 0.386 4.726 4.350 -0.017 0.000 0.253 676 T C 2.459 177.072 174.700 -0.145 0.000 0.939 676 T CA 1.308 63.356 62.100 -0.085 0.000 0.910 676 T CB 0.152 68.966 68.868 -0.091 0.000 1.226 676 T HN 1.943 nan 8.240 nan 0.000 0.508 677 G N 3.410 112.152 108.800 -0.098 0.000 2.513 677 G HA2 -0.374 3.576 3.960 -0.017 0.000 0.219 677 G HA3 -0.374 3.576 3.960 -0.017 0.000 0.219 677 G C 1.458 176.420 174.900 0.102 0.000 1.160 677 G CA 1.475 46.551 45.100 -0.040 0.000 0.767 677 G HN 0.851 nan 8.290 nan 0.000 0.571 678 N N -0.057 118.683 118.700 0.066 0.000 2.091 678 N HA -0.126 4.603 4.740 -0.017 0.000 0.193 678 N C 1.493 177.019 175.510 0.026 0.000 1.021 678 N CA 0.783 53.870 53.050 0.061 0.000 0.862 678 N CB -0.359 38.114 38.487 -0.023 0.000 1.018 678 N HN 0.367 nan 8.380 nan 0.000 0.429 682 M N 0.352 120.034 119.600 0.137 0.000 2.108 682 M HA -0.173 4.296 4.480 -0.017 0.000 0.261 682 M C 2.017 178.367 176.300 0.083 0.000 1.066 682 M CA 1.880 57.232 55.300 0.087 0.000 1.107 682 M CB -0.084 32.565 32.600 0.082 0.000 1.356 682 M HN 0.330 nan 8.290 nan 0.000 0.406 683 L N 0.647 121.915 121.223 0.075 0.000 2.217 683 L HA -0.084 4.246 4.340 -0.017 0.000 0.211 683 L C 1.277 178.185 176.870 0.064 0.000 1.107 683 L CA 1.603 56.493 54.840 0.083 0.000 0.783 683 L CB -0.519 41.598 42.059 0.098 0.000 0.919 683 L HN 0.334 nan 8.230 nan 0.000 0.442 684 N N -0.228 118.500 118.700 0.046 0.000 2.238 684 N HA 0.190 4.920 4.740 -0.017 0.000 0.222 684 N C 0.812 176.351 175.510 0.049 0.000 1.133 684 N CA 0.781 53.852 53.050 0.034 0.000 0.854 684 N CB 0.604 39.088 38.487 -0.005 0.000 1.041 684 N HN 0.378 nan 8.380 nan 0.000 0.510 685 G N 0.532 109.368 108.800 0.059 0.000 2.142 685 G HA2 -0.191 3.758 3.960 -0.017 0.000 0.225 685 G HA3 -0.191 3.758 3.960 -0.017 0.000 0.225 685 G C -0.013 174.953 174.900 0.110 0.000 1.015 685 G CA 0.136 45.273 45.100 0.062 0.000 0.716 685 G HN 0.529 nan 8.290 nan 0.000 0.508 686 A N -0.427 122.467 122.820 0.124 0.000 2.320 686 A HA 0.899 5.209 4.320 -0.017 0.000 0.334 686 A C 0.356 177.947 177.584 0.012 0.000 1.147 686 A CA -0.653 51.478 52.037 0.157 0.000 0.820 686 A CB 1.057 20.210 19.000 0.254 0.000 1.218 686 A HN 0.738 nan 8.150 nan 0.000 0.482 687 L N 0.666 121.863 121.223 -0.044 0.000 2.379 687 L HA 0.462 4.792 4.340 -0.017 0.000 0.269 687 L C 0.095 176.851 176.870 -0.190 0.000 1.084 687 L CA -0.404 54.308 54.840 -0.212 0.000 0.802 687 L CB 1.618 43.475 42.059 -0.337 0.000 1.175 687 L HN 0.679 nan 8.230 nan 0.000 0.448 688 T N 2.837 117.159 114.554 -0.387 0.000 2.758 688 T HA 0.433 4.772 4.350 -0.017 0.000 0.285 688 T C -0.322 174.307 174.700 -0.118 0.000 0.981 688 T CA -0.227 61.649 62.100 -0.373 0.000 0.965 688 T CB 1.250 69.730 68.868 -0.647 0.000 0.927 688 T HN 0.342 nan 8.240 nan 0.000 0.448 689 I N 3.272 123.838 120.570 -0.007 0.000 2.315 689 I HA 0.688 4.848 4.170 -0.017 0.000 0.291 689 I C 0.230 176.499 176.117 0.253 0.000 1.006 689 I CA 0.237 61.636 61.300 0.163 0.000 1.265 689 I CB 0.203 38.223 38.000 0.032 0.000 1.387 689 I HN 0.775 nan 8.210 nan 0.000 0.475 690 G N 3.999 113.033 108.800 0.390 0.000 2.576 690 G HA2 0.425 4.374 3.960 -0.017 0.000 0.290 690 G HA3 0.425 4.374 3.960 -0.017 0.000 0.290 690 G C -0.889 173.963 174.900 -0.080 0.000 1.442 690 G CA -0.375 44.860 45.100 0.225 0.000 0.792 690 G HN 0.599 nan 8.290 nan 0.000 0.491 691 T N -1.331 113.029 114.554 -0.324 0.000 2.847 691 T HA 0.508 4.847 4.350 -0.017 0.000 0.279 691 T C 0.774 175.359 174.700 -0.191 0.000 0.984 691 T CA -0.662 61.171 62.100 -0.446 0.000 0.988 691 T CB 1.061 69.678 68.868 -0.418 0.000 1.040 691 T HN 0.266 nan 8.240 nan 0.000 0.528 692 M N 2.782 122.279 119.600 -0.171 0.000 3.436 692 M HA 0.321 4.791 4.480 -0.017 0.000 0.240 692 M C -0.463 175.784 176.300 -0.087 0.000 1.469 692 M CA -0.061 55.175 55.300 -0.107 0.000 1.622 692 M CB -1.760 30.785 32.600 -0.091 0.000 1.098 692 M HN 0.724 nan 8.290 nan 0.000 0.568 693 D N -0.060 120.295 120.400 -0.075 0.000 2.671 693 D HA 0.665 5.295 4.640 -0.017 0.000 0.232 693 D C 0.753 177.031 176.300 -0.037 0.000 1.114 693 D CA 0.686 54.655 54.000 -0.052 0.000 0.858 693 D CB 1.738 42.508 40.800 -0.049 0.000 1.544 693 D HN 0.594 nan 8.370 nan 0.000 0.471 694 G N 1.874 110.661 108.800 -0.022 0.000 2.652 694 G HA2 -0.278 3.672 3.960 -0.017 0.000 0.318 694 G HA3 -0.278 3.672 3.960 -0.017 0.000 0.318 694 G C 1.065 175.957 174.900 -0.013 0.000 1.295 694 G CA 1.238 46.330 45.100 -0.013 0.000 0.999 694 G HN 1.044 nan 8.290 nan 0.000 0.548 695 A N -0.384 122.423 122.820 -0.022 0.000 2.167 695 A HA 0.086 4.396 4.320 -0.017 0.000 0.214 695 A C 2.128 179.648 177.584 -0.107 0.000 1.151 695 A CA 1.811 53.827 52.037 -0.035 0.000 0.735 695 A CB -0.457 18.512 19.000 -0.052 0.000 0.802 695 A HN 0.644 nan 8.150 nan 0.000 0.467 696 N N 0.664 119.310 118.700 -0.089 0.000 2.091 696 N HA -0.174 4.555 4.740 -0.017 0.000 0.193 696 N C 1.580 176.976 175.510 -0.190 0.000 1.021 696 N CA 1.666 54.660 53.050 -0.093 0.000 0.862 696 N CB -0.729 37.749 38.487 -0.015 0.000 1.018 696 N HN 0.291 nan 8.380 nan 0.000 0.429 697 V N 1.194 121.034 119.914 -0.123 0.000 2.287 697 V HA -0.221 3.889 4.120 -0.017 0.000 0.248 697 V C 2.016 178.039 176.094 -0.117 0.000 1.053 697 V CA 1.744 63.970 62.300 -0.122 0.000 1.027 697 V CB -0.471 31.314 31.823 -0.065 0.000 0.646 697 V HN 0.362 nan 8.190 nan 0.000 0.447 698 E N -0.753 119.430 120.200 -0.029 0.000 2.158 698 E HA -0.112 4.227 4.350 -0.017 0.000 0.191 698 E C 2.216 178.930 176.600 0.191 0.000 0.982 698 E CA 0.952 57.414 56.400 0.104 0.000 0.823 698 E CB -0.156 29.695 29.700 0.251 0.000 0.766 698 E HN 0.544 nan 8.360 nan 0.000 0.468 699 M N 0.505 120.092 119.600 -0.022 0.000 2.067 699 M HA -0.149 4.321 4.480 -0.017 0.000 0.260 699 M C 2.520 178.568 176.300 -0.420 0.000 1.069 699 M CA 1.634 56.844 55.300 -0.150 0.000 1.117 699 M CB -0.237 32.166 32.600 -0.327 0.000 1.334 699 M HN 0.134 nan 8.290 nan 0.000 0.407 700 A N -0.130 122.131 122.820 -0.932 0.000 1.933 700 A HA -0.229 4.081 4.320 -0.017 0.000 0.218 700 A C 1.981 179.341 177.584 -0.373 0.000 1.175 700 A CA 2.038 53.458 52.037 -1.028 0.000 0.628 700 A CB -0.847 17.611 19.000 -0.904 0.000 0.814 700 A HN 0.590 nan 8.150 nan 0.000 0.444 701 E N -0.439 119.626 120.200 -0.224 0.000 2.077 701 E HA -0.217 4.123 4.350 -0.017 0.000 0.193 701 E C 1.843 178.411 176.600 -0.054 0.000 0.989 701 E CA 1.314 57.652 56.400 -0.103 0.000 0.800 701 E CB -0.049 29.614 29.700 -0.061 0.000 0.746 701 E HN 0.567 nan 8.360 nan 0.000 0.452 702 E N -0.005 120.191 120.200 -0.007 0.000 2.047 702 E HA -0.127 4.212 4.350 -0.017 0.000 0.191 702 E C 1.875 178.496 176.600 0.035 0.000 0.987 702 E CA 1.123 57.543 56.400 0.033 0.000 0.799 702 E CB -0.193 29.579 29.700 0.120 0.000 0.752 702 E HN 0.352 nan 8.360 nan 0.000 0.449 703 A N 0.468 123.314 122.820 0.043 0.000 2.123 703 A HA 0.311 4.621 4.320 -0.017 0.000 0.214 703 A C 1.056 178.661 177.584 0.033 0.000 1.152 703 A CA 1.064 53.148 52.037 0.078 0.000 0.728 703 A CB -0.117 19.003 19.000 0.200 0.000 0.814 703 A HN 0.252 nan 8.150 nan 0.000 0.464 704 G N -0.505 108.285 108.800 -0.016 0.000 3.039 704 G HA2 -0.123 3.826 3.960 -0.017 0.000 0.686 704 G HA3 -0.123 3.826 3.960 -0.017 0.000 0.686 704 G C -0.006 174.877 174.900 -0.029 0.000 1.066 704 G CA 0.003 45.087 45.100 -0.027 0.000 0.774 704 G HN 0.309 nan 8.290 nan 0.000 0.591 705 E N 1.044 121.214 120.200 -0.051 0.000 2.267 705 E HA -0.151 4.188 4.350 -0.017 0.000 0.197 705 E C 2.010 178.599 176.600 -0.019 0.000 0.998 705 E CA 1.684 58.061 56.400 -0.039 0.000 0.830 705 E CB 0.066 29.739 29.700 -0.044 0.000 0.751 705 E HN 0.778 nan 8.360 nan 0.000 0.491 706 E N 0.636 120.813 120.200 -0.038 0.000 2.338 706 E HA -0.079 4.261 4.350 -0.017 0.000 0.197 706 E C 0.880 177.398 176.600 -0.136 0.000 1.007 706 E CA 0.590 56.946 56.400 -0.073 0.000 0.849 706 E CB 0.012 29.681 29.700 -0.052 0.000 0.774 706 E HN 0.142 nan 8.360 nan 0.000 0.506 707 N N -0.260 118.391 118.700 -0.081 0.000 2.279 707 N HA 0.163 4.892 4.740 -0.017 0.000 0.226 707 N C -1.013 174.416 175.510 -0.134 0.000 1.126 707 N CA 0.089 53.064 53.050 -0.126 0.000 0.846 707 N CB 0.382 38.852 38.487 -0.027 0.000 1.050 707 N HN 0.042 nan 8.380 nan 0.000 0.502 708 F N -0.426 119.288 119.950 -0.393 0.000 2.601 708 F HA 0.385 4.901 4.527 -0.018 0.000 0.309 708 F C -0.900 174.657 175.800 -0.406 0.000 1.089 708 F CA -1.049 56.761 58.000 -0.317 0.000 0.940 708 F CB 1.351 40.269 39.000 -0.137 0.000 1.273 708 F HN -0.211 nan 8.300 nan 0.000 0.450 709 F N 5.140 125.107 119.950 0.028 0.000 2.359 709 F HA 0.432 4.949 4.527 -0.017 0.000 0.355 709 F C -0.252 175.684 175.800 0.226 0.000 1.132 709 F CA -0.470 57.581 58.000 0.086 0.000 1.246 709 F CB -0.139 38.859 39.000 -0.003 0.000 1.569 709 F HN 0.050 nan 8.300 nan 0.000 0.561 710 I N 3.617 124.388 120.570 0.335 0.000 2.428 710 I HA 0.346 4.505 4.170 -0.017 0.000 0.289 710 I C -0.090 176.217 176.117 0.316 0.000 1.019 710 I CA -0.395 61.067 61.300 0.271 0.000 1.351 710 I CB 0.478 38.559 38.000 0.134 0.000 1.412 710 I HN 0.346 nan 8.210 nan 0.000 0.513 711 F N 3.324 123.340 119.950 0.110 0.000 2.715 711 F HA 0.955 5.471 4.527 -0.018 0.000 0.318 711 F C 0.095 175.937 175.800 0.069 0.000 1.141 711 F CA -0.733 57.322 58.000 0.092 0.000 0.950 711 F CB 0.893 39.962 39.000 0.115 0.000 1.374 711 F HN 0.832 nan 8.300 nan 0.000 0.477 712 G N 0.845 109.702 108.800 0.095 0.000 2.757 712 G HA2 -0.080 3.870 3.960 -0.017 0.000 0.638 712 G HA3 -0.080 3.870 3.960 -0.017 0.000 0.638 712 G C -0.872 173.994 174.900 -0.056 0.000 1.344 712 G CA -0.619 44.469 45.100 -0.021 0.000 0.855 712 G HN 0.954 nan 8.290 nan 0.000 0.537 713 M N 0.986 120.566 119.600 -0.034 0.000 2.251 713 M HA 0.176 4.645 4.480 -0.017 0.000 0.343 713 M C 1.258 177.520 176.300 -0.063 0.000 1.245 713 M CA 0.079 55.365 55.300 -0.022 0.000 1.061 713 M CB 0.234 32.829 32.600 -0.009 0.000 1.723 713 M HN 0.532 nan 8.290 nan 0.000 0.449 714 R N 1.918 122.395 120.500 -0.039 0.000 2.580 714 R HA 0.236 4.566 4.340 -0.017 0.000 0.267 714 R C 1.259 177.539 176.300 -0.033 0.000 1.125 714 R CA -0.569 55.504 56.100 -0.045 0.000 1.188 714 R CB -0.188 30.093 30.300 -0.032 0.000 1.155 714 R HN 0.580 nan 8.270 nan 0.000 0.586 715 V N 1.439 121.333 119.914 -0.034 0.000 2.317 715 V HA -0.297 3.812 4.120 -0.017 0.000 0.251 715 V C 1.947 178.031 176.094 -0.017 0.000 1.065 715 V CA 2.180 64.464 62.300 -0.026 0.000 1.049 715 V CB -0.513 31.293 31.823 -0.028 0.000 0.651 715 V HN 0.633 nan 8.190 nan 0.000 0.450 716 E N 0.074 120.266 120.200 -0.014 0.000 2.110 716 E HA -0.185 4.154 4.350 -0.017 0.000 0.193 716 E C 2.009 178.612 176.600 0.006 0.000 0.988 716 E CA 1.428 57.825 56.400 -0.005 0.000 0.804 716 E CB -0.355 29.343 29.700 -0.004 0.000 0.745 716 E HN 0.648 nan 8.360 nan 0.000 0.458 717 D N -0.066 120.339 120.400 0.009 0.000 2.144 717 D HA -0.110 4.519 4.640 -0.017 0.000 0.200 717 D C 1.975 178.290 176.300 0.026 0.000 0.978 717 D CA 0.977 54.992 54.000 0.025 0.000 0.833 717 D CB 0.044 40.862 40.800 0.030 0.000 0.961 717 D HN 0.069 nan 8.370 nan 0.000 0.470 718 V N 1.904 121.821 119.914 0.005 0.000 2.295 718 V HA -0.225 3.885 4.120 -0.017 0.000 0.246 718 V C 1.988 178.083 176.094 0.002 0.000 1.049 718 V CA 1.725 64.021 62.300 -0.007 0.000 1.024 718 V CB -0.447 31.363 31.823 -0.023 0.000 0.648 718 V HN 0.011 nan 8.190 nan 0.000 0.447 719 D N -0.042 120.360 120.400 0.002 0.000 2.104 719 D HA -0.166 4.464 4.640 -0.017 0.000 0.194 719 D C 2.411 178.723 176.300 0.020 0.000 0.994 719 D CA 1.352 55.355 54.000 0.005 0.000 0.830 719 D CB -0.304 40.495 40.800 -0.001 0.000 0.959 719 D HN 0.356 nan 8.370 nan 0.000 0.452 720 R N 0.055 120.571 120.500 0.027 0.000 2.091 720 R HA -0.062 4.268 4.340 -0.017 0.000 0.238 720 R C 2.491 178.825 176.300 0.058 0.000 1.136 720 R CA 0.612 56.736 56.100 0.039 0.000 0.959 720 R CB -0.412 29.914 30.300 0.043 0.000 0.856 720 R HN 0.217 nan 8.270 nan 0.000 0.437 721 L N 0.554 121.820 121.223 0.072 0.000 2.093 721 L HA -0.188 4.141 4.340 -0.017 0.000 0.208 721 L C 1.446 178.382 176.870 0.109 0.000 1.085 721 L CA 1.300 56.208 54.840 0.114 0.000 0.755 721 L CB -0.222 41.919 42.059 0.136 0.000 0.904 721 L HN 0.230 nan 8.230 nan 0.000 0.435 722 D N -0.533 119.906 120.400 0.066 0.000 2.117 722 D HA -0.191 4.439 4.640 -0.017 0.000 0.198 722 D C 2.203 178.534 176.300 0.052 0.000 0.982 722 D CA 1.064 55.097 54.000 0.055 0.000 0.828 722 D CB -0.002 40.810 40.800 0.019 0.000 0.967 722 D HN 0.410 nan 8.370 nan 0.000 0.464 723 Q N 0.160 119.986 119.800 0.042 0.000 2.050 723 Q HA -0.121 4.208 4.340 -0.017 0.000 0.202 723 Q C 2.271 178.297 176.000 0.044 0.000 0.980 723 Q CA 1.059 56.884 55.803 0.036 0.000 0.840 723 Q CB -0.009 28.746 28.738 0.029 0.000 0.898 723 Q HN 0.131 nan 8.270 nan 0.000 0.424 724 R N -0.222 120.311 120.500 0.055 0.000 2.092 724 R HA -0.020 4.310 4.340 -0.017 0.000 0.231 724 R C -0.105 176.234 176.300 0.066 0.000 1.119 724 R CA 0.964 57.099 56.100 0.058 0.000 0.970 724 R CB 0.122 30.464 30.300 0.069 0.000 0.864 724 R HN 0.299 nan 8.270 nan 0.000 0.440 725 G N -0.211 108.643 108.800 0.090 0.000 3.434 725 G HA2 -0.255 3.695 3.960 -0.017 0.000 0.686 725 G HA3 -0.255 3.695 3.960 -0.017 0.000 0.686 725 G C -1.328 173.665 174.900 0.154 0.000 1.099 725 G CA -0.330 44.832 45.100 0.103 0.000 0.931 725 G HN 0.295 nan 8.290 nan 0.000 0.520 726 Y N 3.134 123.468 120.300 0.057 0.000 2.480 726 Y HA 0.580 5.120 4.550 -0.017 0.000 0.341 726 Y C 0.280 176.236 175.900 0.094 0.000 1.031 726 Y CA -1.103 57.050 58.100 0.088 0.000 1.295 726 Y CB 1.103 39.597 38.460 0.058 0.000 1.162 726 Y HN 0.608 nan 8.280 nan 0.000 0.523 727 N N 4.899 123.397 118.700 -0.337 0.000 2.626 727 N HA 0.381 5.111 4.740 -0.017 0.000 0.242 727 N C 0.374 175.651 175.510 -0.387 0.000 1.005 727 N CA 0.288 53.139 53.050 -0.332 0.000 0.905 727 N CB 1.117 39.534 38.487 -0.116 0.000 1.128 727 N HN 0.774 nan 8.380 nan 0.000 0.512 728 A N 2.705 125.176 122.820 -0.582 0.000 1.940 728 A HA -0.229 4.080 4.320 -0.017 0.000 0.219 728 A C 1.920 179.645 177.584 0.236 0.000 1.176 728 A CA 1.634 53.580 52.037 -0.152 0.000 0.631 728 A CB -0.627 18.195 19.000 -0.297 0.000 0.814 728 A HN 0.715 nan 8.150 nan 0.000 0.446 729 Q N 0.139 119.964 119.800 0.042 0.000 2.133 729 Q HA -0.271 4.059 4.340 -0.017 0.000 0.208 729 Q C 1.897 177.972 176.000 0.124 0.000 0.991 729 Q CA 2.538 58.384 55.803 0.072 0.000 0.867 729 Q CB -0.431 28.301 28.738 -0.010 0.000 0.911 729 Q HN 0.782 nan 8.270 nan 0.000 0.417 730 E N -1.557 118.660 120.200 0.027 0.000 2.097 730 E HA -0.248 4.091 4.350 -0.017 0.000 0.196 730 E C 1.667 178.196 176.600 -0.118 0.000 1.000 730 E CA 1.578 57.921 56.400 -0.095 0.000 0.804 730 E CB -0.236 29.316 29.700 -0.246 0.000 0.740 730 E HN 0.606 nan 8.360 nan 0.000 0.454 731 Y N -1.225 119.137 120.300 0.104 0.000 2.220 731 Y HA -0.192 4.348 4.550 -0.017 0.000 0.291 731 Y C 2.199 178.082 175.900 -0.027 0.000 1.129 731 Y CA 1.449 59.592 58.100 0.072 0.000 1.161 731 Y CB -0.631 37.925 38.460 0.161 0.000 0.997 731 Y HN 0.221 nan 8.280 nan 0.000 0.522 732 Y N 1.373 121.691 120.300 0.030 0.000 2.165 732 Y HA -0.278 4.261 4.550 -0.017 0.000 0.286 732 Y C 1.809 177.669 175.900 -0.066 0.000 1.155 732 Y CA 1.847 59.889 58.100 -0.096 0.000 1.164 732 Y CB -0.383 38.073 38.460 -0.007 0.000 0.978 732 Y HN 0.086 nan 8.280 nan 0.000 0.513 733 D N -0.331 120.150 120.400 0.134 0.000 2.178 733 D HA -0.101 4.529 4.640 -0.017 0.000 0.202 733 D C 1.786 178.056 176.300 -0.050 0.000 0.974 733 D CA 1.278 55.305 54.000 0.045 0.000 0.841 733 D CB -0.095 40.746 40.800 0.069 0.000 0.953 733 D HN 0.481 nan 8.370 nan 0.000 0.478 734 R N -0.354 120.115 120.500 -0.052 0.000 2.365 734 R HA 0.302 4.632 4.340 -0.017 0.000 0.223 734 R C 0.255 176.529 176.300 -0.043 0.000 0.899 734 R CA 0.034 56.106 56.100 -0.047 0.000 1.059 734 R CB 1.256 31.527 30.300 -0.048 0.000 1.086 734 R HN 0.129 nan 8.270 nan 0.000 0.522 735 I N 2.007 122.531 120.570 -0.077 0.000 2.464 735 I HA 0.236 4.396 4.170 -0.017 0.000 0.277 735 I C -2.003 174.016 176.117 -0.164 0.000 1.040 735 I CA -2.308 58.951 61.300 -0.069 0.000 1.153 735 I CB 2.190 40.179 38.000 -0.018 0.000 1.274 735 I HN -0.285 nan 8.210 nan 0.000 0.469 736 P HA -0.132 nan 4.420 nan 0.000 0.217 736 P C 1.180 178.383 177.300 -0.162 0.000 1.150 736 P CA 1.267 64.272 63.100 -0.158 0.000 0.832 736 P CB 0.322 31.963 31.700 -0.098 0.000 0.787 737 E N -0.897 119.244 120.200 -0.098 0.000 2.110 737 E HA -0.159 4.180 4.350 -0.017 0.000 0.193 737 E C 1.830 178.329 176.600 -0.169 0.000 0.988 737 E CA 0.696 57.056 56.400 -0.067 0.000 0.804 737 E CB -0.573 29.161 29.700 0.057 0.000 0.745 737 E HN 0.121 nan 8.360 nan 0.000 0.458 738 L N 1.193 122.220 121.223 -0.326 0.000 2.056 738 L HA -0.121 4.209 4.340 -0.017 0.000 0.207 738 L C 2.332 178.927 176.870 -0.458 0.000 1.078 738 L CA 1.602 56.089 54.840 -0.589 0.000 0.749 738 L CB -0.304 41.258 42.059 -0.828 0.000 0.901 738 L HN -0.092 nan 8.230 nan 0.000 0.433 739 R N -0.888 119.316 120.500 -0.493 0.000 2.083 739 R HA -0.242 4.088 4.340 -0.017 0.000 0.237 739 R C 2.405 178.536 176.300 -0.283 0.000 1.137 739 R CA 1.985 57.713 56.100 -0.619 0.000 0.951 739 R CB -0.326 29.554 30.300 -0.700 0.000 0.851 739 R HN 0.589 nan 8.270 nan 0.000 0.434 740 Q N 0.440 120.113 119.800 -0.212 0.000 2.061 740 Q HA -0.205 4.125 4.340 -0.017 0.000 0.204 740 Q C 2.057 178.007 176.000 -0.083 0.000 0.984 740 Q CA 2.106 57.831 55.803 -0.129 0.000 0.846 740 Q CB -0.136 28.530 28.738 -0.121 0.000 0.902 740 Q HN 0.460 nan 8.270 nan 0.000 0.421 741 I N 0.573 121.092 120.570 -0.085 0.000 2.163 741 I HA -0.298 3.862 4.170 -0.017 0.000 0.243 741 I C 2.173 178.315 176.117 0.042 0.000 1.085 741 I CA 0.732 62.021 61.300 -0.018 0.000 1.347 741 I CB -0.379 37.584 38.000 -0.060 0.000 1.044 741 I HN 0.323 nan 8.210 nan 0.000 0.408 742 I N 0.906 121.500 120.570 0.040 0.000 2.208 742 I HA -0.264 3.896 4.170 -0.017 0.000 0.245 742 I C 2.464 178.681 176.117 0.166 0.000 1.097 742 I CA 1.745 63.136 61.300 0.153 0.000 1.363 742 I CB -1.300 36.885 38.000 0.308 0.000 1.051 742 I HN 0.362 nan 8.210 nan 0.000 0.413 743 E N 0.201 120.479 120.200 0.130 0.000 2.150 743 E HA -0.211 4.128 4.350 -0.017 0.000 0.193 743 E C 2.158 178.824 176.600 0.110 0.000 0.985 743 E CA 0.749 57.220 56.400 0.117 0.000 0.814 743 E CB -0.095 29.649 29.700 0.074 0.000 0.752 743 E HN 0.598 nan 8.360 nan 0.000 0.466 744 Q N 0.509 120.362 119.800 0.088 0.000 2.079 744 Q HA -0.111 4.219 4.340 -0.017 0.000 0.200 744 Q C 2.358 178.550 176.000 0.320 0.000 0.974 744 Q CA 0.936 56.814 55.803 0.124 0.000 0.840 744 Q CB -0.037 28.704 28.738 0.004 0.000 0.898 744 Q HN 0.293 nan 8.270 nan 0.000 0.430 745 L N -0.023 121.387 121.223 0.312 0.000 2.017 745 L HA -0.209 4.121 4.340 -0.017 0.000 0.208 745 L C 2.484 179.535 176.870 0.302 0.000 1.073 745 L CA 1.016 56.045 54.840 0.315 0.000 0.745 745 L CB -0.429 41.730 42.059 0.167 0.000 0.894 745 L HN 0.151 nan 8.230 nan 0.000 0.432 746 S N -0.233 115.602 115.700 0.225 0.000 2.356 746 S HA -0.167 4.293 4.470 -0.017 0.000 0.223 746 S C 2.149 176.855 174.600 0.177 0.000 1.032 746 S CA 1.605 59.919 58.200 0.189 0.000 1.005 746 S CB -0.241 63.049 63.200 0.150 0.000 0.867 746 S HN 0.614 nan 8.310 nan 0.000 0.449 747 S N 0.453 116.257 115.700 0.173 0.000 2.453 747 S HA 0.220 4.679 4.470 -0.017 0.000 0.231 747 S C 1.466 176.161 174.600 0.158 0.000 1.005 747 S CA 0.947 59.235 58.200 0.147 0.000 0.949 747 S CB -0.258 63.021 63.200 0.133 0.000 0.774 747 S HN 0.902 nan 8.310 nan 0.000 0.510 748 G N 0.315 109.244 108.800 0.215 0.000 2.135 748 G HA2 -0.243 3.706 3.960 -0.017 0.000 0.183 748 G HA3 -0.243 3.706 3.960 -0.017 0.000 0.183 748 G C 0.141 175.146 174.900 0.175 0.000 1.004 748 G CA 0.074 45.295 45.100 0.203 0.000 0.677 748 G HN 0.480 nan 8.290 nan 0.000 0.512 749 F N 0.334 120.298 119.950 0.025 0.000 2.161 749 F HA 0.154 4.671 4.527 -0.018 0.000 0.300 749 F C 1.939 177.556 175.800 -0.306 0.000 1.089 749 F CA 2.066 59.954 58.000 -0.186 0.000 1.282 749 F CB -0.043 38.761 39.000 -0.328 0.000 1.010 749 F HN 0.182 nan 8.300 nan 0.000 0.485 750 F N -0.349 119.722 119.950 0.203 0.000 2.727 750 F HA 0.178 4.694 4.527 -0.017 0.000 0.302 750 F C 0.703 176.609 175.800 0.176 0.000 1.097 750 F CA 0.286 58.354 58.000 0.113 0.000 1.330 750 F CB -0.138 38.915 39.000 0.089 0.000 1.084 750 F HN -0.046 nan 8.300 nan 0.000 0.578 751 S N -1.742 114.126 115.700 0.279 0.000 2.440 751 S HA 0.323 4.782 4.470 -0.017 0.000 0.142 751 S C -2.472 172.166 174.600 0.062 0.000 1.578 751 S CA -1.044 57.256 58.200 0.166 0.000 1.260 751 S CB 0.945 64.229 63.200 0.140 0.000 1.407 751 S HN -0.179 nan 8.310 nan 0.000 0.392 752 P HA -0.046 nan 4.420 nan 0.000 0.217 752 P C 1.176 178.472 177.300 -0.006 0.000 1.150 752 P CA 1.148 64.233 63.100 -0.025 0.000 0.832 752 P CB 0.132 31.788 31.700 -0.073 0.000 0.787 753 K N -0.894 119.504 120.400 -0.004 0.000 2.167 753 K HA -0.013 4.296 4.320 -0.017 0.000 0.203 753 K C 0.689 177.292 176.600 0.004 0.000 1.052 753 K CA 0.882 57.169 56.287 -0.001 0.000 0.956 753 K CB -0.039 32.461 32.500 -0.000 0.000 0.735 753 K HN 0.283 nan 8.250 nan 0.000 0.451 754 Q N 0.103 119.905 119.800 0.004 0.000 2.788 754 Q HA 0.151 4.481 4.340 -0.017 0.000 0.261 754 Q C -2.304 173.697 176.000 0.002 0.000 1.029 754 Q CA -1.682 54.119 55.803 -0.004 0.000 0.848 754 Q CB 1.516 30.243 28.738 -0.018 0.000 1.185 754 Q HN -0.066 nan 8.270 nan 0.000 0.482 755 P HA -0.221 nan 4.420 nan 0.000 0.217 755 P C 0.573 177.917 177.300 0.073 0.000 1.148 755 P CA 1.429 64.563 63.100 0.057 0.000 0.828 755 P CB 0.225 31.956 31.700 0.051 0.000 0.783 756 D N -1.357 119.068 120.400 0.043 0.000 2.388 756 D HA -0.001 4.629 4.640 -0.017 0.000 0.221 756 D C 1.561 177.866 176.300 0.009 0.000 1.133 756 D CA -0.275 53.758 54.000 0.055 0.000 0.831 756 D CB -0.642 40.189 40.800 0.051 0.000 0.962 756 D HN -0.009 nan 8.370 nan 0.000 0.502 757 L N -0.013 121.153 121.223 -0.096 0.000 2.089 757 L HA -0.078 4.252 4.340 -0.017 0.000 0.213 757 L C 1.016 177.661 176.870 -0.374 0.000 1.079 757 L CA 1.674 56.330 54.840 -0.307 0.000 0.758 757 L CB -0.681 41.023 42.059 -0.593 0.000 0.891 757 L HN 0.013 nan 8.230 nan 0.000 0.433 758 F N -0.789 119.222 119.950 0.102 0.000 2.668 758 F HA 0.146 4.662 4.527 -0.017 0.000 0.297 758 F C 1.794 177.651 175.800 0.095 0.000 1.124 758 F CA -0.175 57.875 58.000 0.085 0.000 1.353 758 F CB -0.299 38.739 39.000 0.063 0.000 0.992 758 F HN 0.094 nan 8.300 nan 0.000 0.524 759 K N -0.483 120.037 120.400 0.200 0.000 2.097 759 K HA -0.166 4.143 4.320 -0.017 0.000 0.206 759 K C 1.015 177.719 176.600 0.174 0.000 1.049 759 K CA 1.865 58.253 56.287 0.169 0.000 0.933 759 K CB -0.219 32.355 32.500 0.123 0.000 0.717 759 K HN 0.056 nan 8.250 nan 0.000 0.442 760 D N 1.386 121.899 120.400 0.190 0.000 2.097 760 D HA -0.102 4.528 4.640 -0.017 0.000 0.195 760 D C 2.047 178.463 176.300 0.193 0.000 0.989 760 D CA 1.257 55.379 54.000 0.204 0.000 0.827 760 D CB -0.150 40.809 40.800 0.265 0.000 0.966 760 D HN 0.300 nan 8.370 nan 0.000 0.456 761 I N 0.508 121.194 120.570 0.193 0.000 2.179 761 I HA -0.226 3.934 4.170 -0.017 0.000 0.242 761 I C 2.463 178.646 176.117 0.110 0.000 1.088 761 I CA 0.626 62.011 61.300 0.143 0.000 1.357 761 I CB -0.291 37.787 38.000 0.130 0.000 1.051 761 I HN -0.114 nan 8.210 nan 0.000 0.409 762 V N 1.165 121.158 119.914 0.131 0.000 2.295 762 V HA -0.298 3.812 4.120 -0.017 0.000 0.246 762 V C 2.287 178.409 176.094 0.047 0.000 1.049 762 V CA 2.314 64.674 62.300 0.100 0.000 1.024 762 V CB -0.998 30.901 31.823 0.127 0.000 0.648 762 V HN 0.469 nan 8.190 nan 0.000 0.447 763 N N 0.031 118.793 118.700 0.104 0.000 2.069 763 N HA -0.222 4.507 4.740 -0.017 0.000 0.191 763 N C 1.836 177.400 175.510 0.090 0.000 1.031 763 N CA 2.025 55.162 53.050 0.145 0.000 0.852 763 N CB -0.339 38.283 38.487 0.226 0.000 1.018 763 N HN 0.347 nan 8.380 nan 0.000 0.423 764 M N -0.335 119.344 119.600 0.132 0.000 2.099 764 M HA -0.094 4.376 4.480 -0.017 0.000 0.262 764 M C 1.436 177.718 176.300 -0.029 0.000 1.067 764 M CA 1.192 56.575 55.300 0.138 0.000 1.124 764 M CB -0.614 32.087 32.600 0.167 0.000 1.353 764 M HN 0.166 nan 8.290 nan 0.000 0.410 765 L N 0.739 121.899 121.223 -0.106 0.000 2.042 765 L HA -0.210 4.119 4.340 -0.017 0.000 0.210 765 L C 2.468 179.032 176.870 -0.510 0.000 1.076 765 L CA 1.682 56.323 54.840 -0.332 0.000 0.749 765 L CB -1.159 40.733 42.059 -0.279 0.000 0.893 765 L HN 0.341 nan 8.230 nan 0.000 0.432 766 M N -1.922 117.425 119.600 -0.423 0.000 2.288 766 M HA -0.077 4.393 4.480 -0.017 0.000 0.266 766 M C 1.768 177.601 176.300 -0.778 0.000 1.072 766 M CA 1.431 56.362 55.300 -0.614 0.000 1.132 766 M CB -0.723 31.407 32.600 -0.783 0.000 1.386 766 M HN 0.352 nan 8.290 nan 0.000 0.432 767 H N -2.559 116.301 119.070 -0.349 0.000 3.266 767 H HA 0.255 4.801 4.556 -0.017 0.000 0.246 767 H C 0.351 175.317 175.328 -0.602 0.000 0.998 767 H CA 0.407 56.114 56.048 -0.569 0.000 1.152 767 H CB 0.675 29.923 29.762 -0.856 0.000 1.466 767 H HN 0.401 nan 8.280 nan 0.000 0.481 768 H N 0.460 119.584 119.070 0.090 0.000 2.651 768 H HA 0.156 4.702 4.556 -0.017 0.000 0.241 768 H C -0.567 174.784 175.328 0.039 0.000 1.225 768 H CA -0.253 55.837 56.048 0.071 0.000 0.942 768 H CB 0.951 30.761 29.762 0.079 0.000 1.996 768 H HN 0.116 nan 8.280 nan 0.000 0.600 769 D N 1.351 121.807 120.400 0.094 0.000 2.441 769 D HA 0.109 4.738 4.640 -0.017 0.000 0.221 769 D C 1.182 177.440 176.300 -0.070 0.000 1.156 769 D CA -0.305 53.720 54.000 0.043 0.000 0.896 769 D CB 0.539 41.351 40.800 0.020 0.000 1.028 769 D HN 0.194 nan 8.370 nan 0.000 0.509 770 R N 2.195 122.546 120.500 -0.249 0.000 2.241 770 R HA -0.069 4.261 4.340 -0.017 0.000 0.224 770 R C 0.628 176.443 176.300 -0.809 0.000 1.101 770 R CA 0.959 56.687 56.100 -0.619 0.000 0.995 770 R CB 0.087 29.780 30.300 -1.011 0.000 0.870 770 R HN 0.405 nan 8.270 nan 0.000 0.463 771 F N 0.118 120.026 119.950 -0.069 0.000 2.661 771 F HA 0.276 4.792 4.527 -0.017 0.000 0.306 771 F C 0.009 175.688 175.800 -0.203 0.000 1.094 771 F CA -0.666 57.279 58.000 -0.091 0.000 1.254 771 F CB 0.273 39.276 39.000 0.007 0.000 1.040 771 F HN -0.257 nan 8.300 nan 0.000 0.562 772 K N -0.266 119.952 120.400 -0.303 0.000 3.244 772 K HA -0.163 4.146 4.320 -0.017 0.000 0.270 772 K C 0.882 177.355 176.600 -0.212 0.000 1.016 772 K CA 0.184 56.097 56.287 -0.623 0.000 0.754 772 K CB -1.881 30.181 32.500 -0.729 0.000 1.326 772 K HN 0.199 nan 8.250 nan 0.000 0.465 773 V N 0.015 119.888 119.914 -0.070 0.000 2.287 773 V HA -0.275 3.834 4.120 -0.017 0.000 0.248 773 V C 1.959 178.187 176.094 0.224 0.000 1.053 773 V CA 2.257 64.596 62.300 0.066 0.000 1.027 773 V CB -0.486 31.378 31.823 0.068 0.000 0.646 773 V HN 0.504 nan 8.190 nan 0.000 0.447 774 F N 0.249 120.200 119.950 0.002 0.000 2.171 774 F HA -0.180 4.336 4.527 -0.018 0.000 0.300 774 F C 2.538 178.114 175.800 -0.374 0.000 1.090 774 F CA 0.663 58.603 58.000 -0.100 0.000 1.293 774 F CB -0.382 38.578 39.000 -0.067 0.000 1.013 774 F HN 0.198 nan 8.300 nan 0.000 0.486 775 A N -0.460 122.182 122.820 -0.296 0.000 2.019 775 A HA -0.201 4.108 4.320 -0.017 0.000 0.219 775 A C 1.463 179.032 177.584 -0.025 0.000 1.164 775 A CA 1.916 53.702 52.037 -0.418 0.000 0.644 775 A CB -0.468 18.433 19.000 -0.165 0.000 0.805 775 A HN 0.245 nan 8.150 nan 0.000 0.449 776 D N -2.878 117.570 120.400 0.080 0.000 2.369 776 D HA 0.082 4.712 4.640 -0.017 0.000 0.211 776 D C 1.195 177.656 176.300 0.270 0.000 1.077 776 D CA -0.005 54.121 54.000 0.210 0.000 0.842 776 D CB -0.136 40.804 40.800 0.235 0.000 0.947 776 D HN 0.589 nan 8.370 nan 0.000 0.509 777 Y N 2.247 122.623 120.300 0.128 0.000 2.070 777 Y HA -0.241 4.299 4.550 -0.017 0.000 0.280 777 Y C 2.094 178.077 175.900 0.138 0.000 1.148 777 Y CA 1.921 60.107 58.100 0.144 0.000 1.125 777 Y CB 0.135 38.648 38.460 0.088 0.000 0.975 777 Y HN -0.115 nan 8.280 nan 0.000 0.492 778 E N 0.001 120.276 120.200 0.126 0.000 2.049 778 E HA -0.287 4.053 4.350 -0.017 0.000 0.198 778 E C 2.221 178.789 176.600 -0.052 0.000 1.007 778 E CA 1.734 58.142 56.400 0.014 0.000 0.809 778 E CB -0.270 29.532 29.700 0.169 0.000 0.749 778 E HN 0.626 nan 8.360 nan 0.000 0.450 779 E N -0.420 119.822 120.200 0.070 0.000 2.204 779 E HA -0.187 4.153 4.350 -0.017 0.000 0.194 779 E C 1.868 178.455 176.600 -0.021 0.000 0.989 779 E CA 0.552 57.011 56.400 0.099 0.000 0.824 779 E CB -0.025 29.820 29.700 0.242 0.000 0.756 779 E HN 0.243 nan 8.360 nan 0.000 0.477 780 Y N 0.595 120.697 120.300 -0.330 0.000 2.184 780 Y HA -0.183 4.356 4.550 -0.017 0.000 0.290 780 Y C 2.056 177.568 175.900 -0.647 0.000 1.129 780 Y CA 1.007 58.603 58.100 -0.839 0.000 1.144 780 Y CB -0.473 37.532 38.460 -0.759 0.000 0.995 780 Y HN -0.193 nan 8.280 nan 0.000 0.513 781 V N 0.567 120.121 119.914 -0.599 0.000 2.332 781 V HA -0.311 3.798 4.120 -0.017 0.000 0.248 781 V C 2.344 178.207 176.094 -0.386 0.000 1.055 781 V CA 2.315 64.284 62.300 -0.552 0.000 1.038 781 V CB -0.656 30.857 31.823 -0.516 0.000 0.651 781 V HN 0.215 nan 8.190 nan 0.000 0.450 782 K N -0.466 119.769 120.400 -0.275 0.000 2.002 782 K HA -0.183 4.127 4.320 -0.017 0.000 0.209 782 K C 2.266 178.768 176.600 -0.164 0.000 1.048 782 K CA 1.921 58.113 56.287 -0.158 0.000 0.930 782 K CB -1.045 31.411 32.500 -0.074 0.000 0.714 782 K HN 0.532 nan 8.250 nan 0.000 0.438 783 C N 0.941 120.119 119.300 -0.203 0.000 2.422 783 C HA -0.085 4.364 4.460 -0.017 0.000 0.279 783 C C 2.441 177.253 174.990 -0.297 0.000 1.305 783 C CA 0.737 59.663 59.018 -0.152 0.000 1.757 783 C CB -0.751 26.924 27.740 -0.107 0.000 1.962 783 C HN 0.457 nan 8.230 nan 0.000 0.499 784 Q N 0.411 119.900 119.800 -0.518 0.000 2.170 784 Q HA -0.153 4.176 4.340 -0.017 0.000 0.203 784 Q C 2.014 177.826 176.000 -0.314 0.000 0.976 784 Q CA 1.534 56.992 55.803 -0.575 0.000 0.858 784 Q CB -0.359 27.803 28.738 -0.959 0.000 0.907 784 Q HN 0.763 nan 8.270 nan 0.000 0.433 785 E N 0.173 120.246 120.200 -0.212 0.000 2.106 785 E HA -0.135 4.205 4.350 -0.017 0.000 0.192 785 E C 2.052 178.614 176.600 -0.063 0.000 0.984 785 E CA 0.566 56.901 56.400 -0.108 0.000 0.806 785 E CB -0.002 29.653 29.700 -0.075 0.000 0.750 785 E HN 0.259 nan 8.360 nan 0.000 0.458 786 R N 0.460 120.928 120.500 -0.053 0.000 2.115 786 R HA -0.069 4.261 4.340 -0.017 0.000 0.230 786 R C 2.409 178.730 176.300 0.035 0.000 1.111 786 R CA 0.802 56.936 56.100 0.056 0.000 0.976 786 R CB -0.284 30.111 30.300 0.159 0.000 0.870 786 R HN 0.069 nan 8.270 nan 0.000 0.445 787 V N 0.643 120.393 119.914 -0.274 0.000 2.261 787 V HA -0.247 3.863 4.120 -0.017 0.000 0.246 787 V C 2.253 178.338 176.094 -0.015 0.000 1.047 787 V CA 1.949 63.999 62.300 -0.417 0.000 1.015 787 V CB -0.457 30.987 31.823 -0.632 0.000 0.642 787 V HN 0.272 nan 8.190 nan 0.000 0.446 788 S N 0.023 115.681 115.700 -0.070 0.000 2.365 788 S HA -0.246 4.214 4.470 -0.017 0.000 0.225 788 S C 2.223 176.882 174.600 0.097 0.000 1.039 788 S CA 1.596 59.788 58.200 -0.014 0.000 1.033 788 S CB -0.586 62.582 63.200 -0.052 0.000 0.887 788 S HN 0.664 nan 8.310 nan 0.000 0.447 789 A N 1.309 124.190 122.820 0.101 0.000 1.883 789 A HA -0.072 4.238 4.320 -0.017 0.000 0.217 789 A C 2.126 179.829 177.584 0.198 0.000 1.186 789 A CA 1.336 53.455 52.037 0.136 0.000 0.624 789 A CB -0.801 18.269 19.000 0.117 0.000 0.822 789 A HN 0.476 nan 8.150 nan 0.000 0.444 790 L N -2.142 119.259 121.223 0.297 0.000 2.141 790 L HA -0.146 4.184 4.340 -0.017 0.000 0.209 790 L C 2.461 179.615 176.870 0.473 0.000 1.094 790 L CA 1.774 56.864 54.840 0.416 0.000 0.763 790 L CB -0.393 42.019 42.059 0.588 0.000 0.908 790 L HN 0.615 nan 8.230 nan 0.000 0.437 791 Y N 0.929 121.369 120.300 0.234 0.000 2.352 791 Y HA -0.233 4.308 4.550 -0.016 0.000 0.292 791 Y C 2.399 178.241 175.900 -0.096 0.000 1.136 791 Y CA 1.457 59.447 58.100 -0.184 0.000 1.227 791 Y CB -0.023 38.079 38.460 -0.597 0.000 0.991 791 Y HN 0.062 nan 8.280 nan 0.000 0.545 792 K N -0.098 120.355 120.400 0.088 0.000 2.360 792 K HA -0.164 4.146 4.320 -0.017 0.000 0.201 792 K C 0.383 176.974 176.600 -0.016 0.000 1.046 792 K CA 0.911 57.228 56.287 0.049 0.000 0.945 792 K CB -0.132 32.434 32.500 0.109 0.000 0.750 792 K HN 0.064 nan 8.250 nan 0.000 0.464 793 N N 0.353 119.059 118.700 0.011 0.000 2.898 793 N HA 0.135 4.865 4.740 -0.017 0.000 0.245 793 N C -2.425 173.090 175.510 0.009 0.000 1.185 793 N CA -2.223 50.837 53.050 0.017 0.000 0.879 793 N CB 1.184 39.712 38.487 0.069 0.000 1.157 793 N HN -0.200 nan 8.380 nan 0.000 0.503 794 P HA -0.189 nan 4.420 nan 0.000 0.216 794 P C 1.389 178.700 177.300 0.018 0.000 1.154 794 P CA 1.168 64.199 63.100 -0.115 0.000 0.865 794 P CB 0.372 31.983 31.700 -0.149 0.000 0.789 795 R N 0.001 120.512 120.500 0.019 0.000 2.081 795 R HA -0.150 4.180 4.340 -0.017 0.000 0.235 795 R C 1.880 178.223 176.300 0.072 0.000 1.131 795 R CA 1.416 57.539 56.100 0.039 0.000 0.960 795 R CB -0.354 29.960 30.300 0.023 0.000 0.856 795 R HN 0.091 nan 8.270 nan 0.000 0.436 796 E N -0.109 120.145 120.200 0.090 0.000 2.158 796 E HA -0.193 4.146 4.350 -0.017 0.000 0.191 796 E C 1.584 178.267 176.600 0.137 0.000 0.982 796 E CA 0.507 56.965 56.400 0.096 0.000 0.823 796 E CB -0.403 29.351 29.700 0.090 0.000 0.766 796 E HN 0.496 nan 8.360 nan 0.000 0.468 797 W N 2.194 123.498 121.300 0.006 0.000 2.333 797 W HA -0.197 4.452 4.660 -0.018 0.000 0.316 797 W C 1.623 178.154 176.519 0.020 0.000 1.215 797 W CA 2.148 59.512 57.345 0.032 0.000 1.278 797 W CB -0.408 29.044 29.460 -0.014 0.000 1.154 797 W HN 0.032 nan 8.180 nan 0.000 0.486 798 T N 1.063 115.756 114.554 0.231 0.000 2.833 798 T HA -0.164 4.176 4.350 -0.017 0.000 0.269 798 T C 1.833 176.550 174.700 0.028 0.000 1.054 798 T CA 1.608 63.778 62.100 0.117 0.000 1.135 798 T CB -0.283 68.638 68.868 0.089 0.000 0.869 798 T HN 0.175 nan 8.240 nan 0.000 0.466 799 R N 0.377 120.897 120.500 0.033 0.000 2.092 799 R HA 0.122 4.452 4.340 -0.017 0.000 0.231 799 R C 2.501 178.795 176.300 -0.011 0.000 1.119 799 R CA 1.115 57.232 56.100 0.029 0.000 0.970 799 R CB -0.307 30.015 30.300 0.037 0.000 0.864 799 R HN 0.364 nan 8.270 nan 0.000 0.440 800 M N 0.482 120.039 119.600 -0.072 0.000 2.132 800 M HA -0.140 4.329 4.480 -0.017 0.000 0.263 800 M C 1.940 178.149 176.300 -0.151 0.000 1.065 800 M CA 1.398 56.616 55.300 -0.136 0.000 1.122 800 M CB 0.144 32.605 32.600 -0.232 0.000 1.365 800 M HN -0.020 nan 8.290 nan 0.000 0.411 801 V N 1.101 120.901 119.914 -0.191 0.000 2.282 801 V HA -0.339 3.771 4.120 -0.017 0.000 0.249 801 V C 2.230 178.306 176.094 -0.031 0.000 1.057 801 V CA 2.231 64.453 62.300 -0.130 0.000 1.032 801 V CB -0.687 31.084 31.823 -0.086 0.000 0.645 801 V HN 0.522 nan 8.190 nan 0.000 0.447 802 I N -0.788 119.788 120.570 0.009 0.000 2.264 802 I HA -0.251 3.909 4.170 -0.017 0.000 0.248 802 I C 2.690 178.856 176.117 0.082 0.000 1.111 802 I CA 1.553 62.906 61.300 0.089 0.000 1.382 802 I CB -0.395 37.712 38.000 0.179 0.000 1.060 802 I HN 0.185 nan 8.210 nan 0.000 0.418 803 R N 0.363 120.888 120.500 0.043 0.000 2.148 803 R HA -0.085 4.245 4.340 -0.017 0.000 0.227 803 R C 2.020 178.351 176.300 0.053 0.000 1.103 803 R CA 1.006 57.131 56.100 0.041 0.000 0.983 803 R CB -0.294 30.016 30.300 0.017 0.000 0.874 803 R HN 0.532 nan 8.270 nan 0.000 0.451 804 N N 0.560 119.283 118.700 0.039 0.000 2.092 804 N HA -0.099 4.631 4.740 -0.017 0.000 0.189 804 N C 1.938 177.505 175.510 0.095 0.000 1.040 804 N CA 1.113 54.208 53.050 0.075 0.000 0.845 804 N CB -0.063 38.435 38.487 0.018 0.000 1.017 804 N HN 0.094 nan 8.380 nan 0.000 0.426 805 I N 1.717 122.329 120.570 0.071 0.000 2.194 805 I HA -0.272 3.888 4.170 -0.017 0.000 0.246 805 I C 2.455 178.616 176.117 0.073 0.000 1.093 805 I CA 1.037 62.382 61.300 0.075 0.000 1.355 805 I CB -0.309 37.728 38.000 0.061 0.000 1.046 805 I HN 0.125 nan 8.210 nan 0.000 0.413 806 A N 0.207 123.069 122.820 0.071 0.000 2.067 806 A HA -0.165 4.144 4.320 -0.017 0.000 0.219 806 A C 2.151 179.766 177.584 0.053 0.000 1.158 806 A CA 2.062 54.130 52.037 0.052 0.000 0.661 806 A CB -0.854 18.180 19.000 0.058 0.000 0.801 806 A HN 0.542 nan 8.150 nan 0.000 0.452 807 T N -2.850 111.753 114.554 0.081 0.000 3.092 807 T HA 0.140 4.479 4.350 -0.017 0.000 0.258 807 T C 1.232 176.021 174.700 0.148 0.000 1.031 807 T CA 0.685 62.838 62.100 0.089 0.000 0.925 807 T CB -0.198 68.724 68.868 0.091 0.000 1.036 807 T HN 0.498 nan 8.240 nan 0.000 0.544 808 S N 0.367 116.172 115.700 0.176 0.000 2.603 808 S HA 0.247 4.706 4.470 -0.017 0.000 0.220 808 S C 2.147 176.873 174.600 0.211 0.000 0.967 808 S CA 0.190 58.570 58.200 0.299 0.000 0.920 808 S CB -0.638 62.714 63.200 0.252 0.000 0.773 808 S HN 0.526 nan 8.310 nan 0.000 0.529 809 G N 2.581 111.424 108.800 0.071 0.000 2.442 809 G HA2 -0.254 3.695 3.960 -0.017 0.000 0.219 809 G HA3 -0.254 3.695 3.960 -0.017 0.000 0.219 809 G C 1.323 176.170 174.900 -0.088 0.000 1.141 809 G CA 0.911 46.020 45.100 0.014 0.000 0.763 809 G HN 0.593 nan 8.290 nan 0.000 0.554 810 K N -0.162 120.060 120.400 -0.296 0.000 2.211 810 K HA -0.042 4.268 4.320 -0.017 0.000 0.204 810 K C 1.209 177.509 176.600 -0.500 0.000 1.047 810 K CA 0.792 56.767 56.287 -0.520 0.000 0.935 810 K CB -0.255 31.730 32.500 -0.859 0.000 0.728 810 K HN 0.425 nan 8.250 nan 0.000 0.452 811 F N 0.809 120.789 119.950 0.050 0.000 2.664 811 F HA 0.132 4.649 4.527 -0.018 0.000 0.301 811 F C 0.759 176.605 175.800 0.076 0.000 1.126 811 F CA -0.654 57.382 58.000 0.061 0.000 1.373 811 F CB 0.469 39.503 39.000 0.055 0.000 1.042 811 F HN -0.121 nan 8.300 nan 0.000 0.535 812 S N 0.341 116.131 115.700 0.151 0.000 2.548 812 S HA 0.073 4.532 4.470 -0.017 0.000 0.277 812 S C 1.423 176.104 174.600 0.135 0.000 1.315 812 S CA -0.217 58.064 58.200 0.134 0.000 1.050 812 S CB 0.896 64.144 63.200 0.080 0.000 0.918 812 S HN 0.338 nan 8.310 nan 0.000 0.497 813 S N 3.224 119.026 115.700 0.170 0.000 2.507 813 S HA -0.073 4.387 4.470 -0.017 0.000 0.235 813 S C 0.940 175.583 174.600 0.072 0.000 0.988 813 S CA 0.656 58.969 58.200 0.189 0.000 0.944 813 S CB -0.369 63.015 63.200 0.308 0.000 0.762 813 S HN 0.792 nan 8.310 nan 0.000 0.526 814 D N 2.038 122.469 120.400 0.052 0.000 2.117 814 D HA -0.094 4.536 4.640 -0.017 0.000 0.197 814 D C 2.106 178.407 176.300 0.001 0.000 0.987 814 D CA 0.852 54.861 54.000 0.015 0.000 0.829 814 D CB -0.346 40.462 40.800 0.013 0.000 0.961 814 D HN 0.283 nan 8.370 nan 0.000 0.460 815 R N 0.796 121.300 120.500 0.007 0.000 2.070 815 R HA -0.103 4.227 4.340 -0.017 0.000 0.233 815 R C 1.938 178.231 176.300 -0.012 0.000 1.137 815 R CA 1.587 57.679 56.100 -0.013 0.000 0.945 815 R CB -0.869 29.412 30.300 -0.032 0.000 0.845 815 R HN 0.141 nan 8.270 nan 0.000 0.430 816 T N 2.206 116.775 114.554 0.025 0.000 2.665 816 T HA -0.140 4.199 4.350 -0.017 0.000 0.268 816 T C 1.931 176.645 174.700 0.023 0.000 1.035 816 T CA 1.474 63.610 62.100 0.060 0.000 1.151 816 T CB -0.137 68.840 68.868 0.180 0.000 0.862 816 T HN 0.121 nan 8.240 nan 0.000 0.438 817 I N 1.576 122.078 120.570 -0.113 0.000 2.315 817 I HA -0.051 4.109 4.170 -0.017 0.000 0.248 817 I C 2.914 178.990 176.117 -0.067 0.000 1.117 817 I CA 0.857 62.051 61.300 -0.177 0.000 1.404 817 I CB -1.617 36.258 38.000 -0.208 0.000 1.071 817 I HN 0.200 nan 8.210 nan 0.000 0.419 818 A N 0.194 122.990 122.820 -0.040 0.000 1.933 818 A HA -0.233 4.077 4.320 -0.017 0.000 0.218 818 A C 2.252 179.796 177.584 -0.067 0.000 1.175 818 A CA 1.400 53.420 52.037 -0.028 0.000 0.628 818 A CB -0.532 18.457 19.000 -0.019 0.000 0.814 818 A HN 0.496 nan 8.150 nan 0.000 0.444 819 Q N -1.819 117.924 119.800 -0.096 0.000 2.079 819 Q HA -0.165 4.165 4.340 -0.017 0.000 0.200 819 Q C 1.918 177.747 176.000 -0.286 0.000 0.974 819 Q CA 1.638 57.343 55.803 -0.164 0.000 0.840 819 Q CB -0.315 28.319 28.738 -0.174 0.000 0.898 819 Q HN 0.817 nan 8.270 nan 0.000 0.430 820 Y N 0.578 120.597 120.300 -0.468 0.000 2.128 820 Y HA -0.312 4.228 4.550 -0.018 0.000 0.284 820 Y C 2.474 177.801 175.900 -0.955 0.000 1.154 820 Y CA 1.322 58.886 58.100 -0.892 0.000 1.149 820 Y CB -0.474 37.162 38.460 -1.373 0.000 0.976 820 Y HN 0.168 nan 8.280 nan 0.000 0.505 821 A N 0.244 122.839 122.820 -0.374 0.000 1.865 821 A HA -0.236 4.073 4.320 -0.017 0.000 0.217 821 A C 2.250 179.845 177.584 0.019 0.000 1.191 821 A CA 2.134 54.190 52.037 0.033 0.000 0.623 821 A CB -0.592 18.502 19.000 0.156 0.000 0.826 821 A HN 0.431 nan 8.150 nan 0.000 0.444 822 R N -0.825 119.648 120.500 -0.045 0.000 2.093 822 R HA -0.023 4.307 4.340 -0.017 0.000 0.224 822 R C 1.827 178.103 176.300 -0.040 0.000 1.101 822 R CA 1.461 57.547 56.100 -0.022 0.000 0.979 822 R CB -0.154 30.129 30.300 -0.028 0.000 0.877 822 R HN 0.662 nan 8.270 nan 0.000 0.441 823 E N -0.543 119.592 120.200 -0.109 0.000 2.415 823 E HA 0.093 4.433 4.350 -0.017 0.000 0.197 823 E C 1.392 177.942 176.600 -0.084 0.000 1.007 823 E CA 0.402 56.743 56.400 -0.098 0.000 0.890 823 E CB 0.558 30.174 29.700 -0.139 0.000 0.891 823 E HN 0.287 nan 8.360 nan 0.000 0.496 824 I N -1.157 119.326 120.570 -0.145 0.000 3.570 824 I HA 0.027 4.187 4.170 -0.017 0.000 0.270 824 I C 1.301 177.558 176.117 0.233 0.000 1.162 824 I CA -0.046 61.229 61.300 -0.042 0.000 1.413 824 I CB 0.246 38.074 38.000 -0.287 0.000 1.437 824 I HN 0.115 nan 8.210 nan 0.000 0.457 825 W N 1.458 122.856 121.300 0.164 0.000 2.737 825 W HA 0.348 4.998 4.660 -0.017 0.000 0.262 825 W C 1.434 177.994 176.519 0.069 0.000 1.282 825 W CA 0.768 58.192 57.345 0.132 0.000 1.386 825 W CB -1.030 28.497 29.460 0.110 0.000 1.099 825 W HN 0.300 nan 8.180 nan 0.000 0.621 826 G N 1.298 110.240 108.800 0.236 0.000 2.256 826 G HA2 -0.086 3.863 3.960 -0.017 0.000 0.272 826 G HA3 -0.086 3.863 3.960 -0.017 0.000 0.272 826 G C -0.384 174.593 174.900 0.127 0.000 1.076 826 G CA 0.199 45.379 45.100 0.133 0.000 0.882 826 G HN 0.417 nan 8.290 nan 0.000 0.497 827 V N -4.178 115.831 119.914 0.157 0.000 2.925 827 V HA 0.892 5.002 4.120 -0.017 0.000 0.311 827 V C -0.346 175.809 176.094 0.102 0.000 1.104 827 V CA -1.713 60.661 62.300 0.125 0.000 0.954 827 V CB 2.337 34.245 31.823 0.142 0.000 1.022 827 V HN 0.134 nan 8.190 nan 0.000 0.427 828 E N 4.081 124.325 120.200 0.072 0.000 2.146 828 E HA 0.489 4.829 4.350 -0.017 0.000 0.282 828 E C -2.436 174.201 176.600 0.061 0.000 0.989 828 E CA -1.725 54.710 56.400 0.058 0.000 0.799 828 E CB 1.700 31.426 29.700 0.043 0.000 1.088 828 E HN 0.744 nan 8.360 nan 0.000 0.397 829 P HA 0.064 nan 4.420 nan 0.000 0.270 829 P C -0.506 176.821 177.300 0.045 0.000 1.223 829 P CA -0.282 62.850 63.100 0.054 0.000 0.785 829 P CB 0.863 32.590 31.700 0.044 0.000 0.923 830 S N 1.011 116.738 115.700 0.045 0.000 2.619 830 S HA 0.303 4.763 4.470 -0.017 0.000 0.280 830 S C 0.383 175.003 174.600 0.033 0.000 1.150 830 S CA -0.777 57.447 58.200 0.040 0.000 0.978 830 S CB 0.972 64.202 63.200 0.049 0.000 1.041 830 S HN 0.274 nan 8.310 nan 0.000 0.485 831 R N 2.481 122.998 120.500 0.027 0.000 2.356 831 R HA 0.184 4.513 4.340 -0.017 0.000 0.234 831 R C 0.031 176.339 176.300 0.013 0.000 0.929 831 R CA 0.079 56.193 56.100 0.023 0.000 1.084 831 R CB 0.028 30.343 30.300 0.025 0.000 1.105 831 R HN 0.699 nan 8.270 nan 0.000 0.515 832 Q N 0.768 120.574 119.800 0.011 0.000 2.352 832 Q HA 0.130 4.460 4.340 -0.017 0.000 0.260 832 Q C -0.276 175.712 176.000 -0.020 0.000 0.976 832 Q CA 0.027 55.830 55.803 -0.002 0.000 0.881 832 Q CB 0.930 29.671 28.738 0.005 0.000 1.235 832 Q HN -0.202 nan 8.270 nan 0.000 0.419 833 R N 1.378 121.858 120.500 -0.033 0.000 2.490 833 R HA 0.241 4.570 4.340 -0.017 0.000 0.280 833 R C -0.531 175.724 176.300 -0.075 0.000 1.077 833 R CA -0.048 56.019 56.100 -0.054 0.000 1.065 833 R CB 0.402 30.671 30.300 -0.052 0.000 1.003 833 R HN 0.497 nan 8.270 nan 0.000 0.470 834 L N 5.428 126.588 121.223 -0.105 0.000 2.395 834 L HA 0.343 4.672 4.340 -0.017 0.000 0.269 834 L C -1.679 175.136 176.870 -0.092 0.000 1.133 834 L CA -1.985 52.770 54.840 -0.142 0.000 0.812 834 L CB 0.987 42.928 42.059 -0.197 0.000 1.125 834 L HN 0.455 nan 8.230 nan 0.000 0.452 835 P HA 0.028 nan 4.420 nan 0.000 0.265 835 P C -0.515 176.761 177.300 -0.041 0.000 1.193 835 P CA -0.184 62.888 63.100 -0.046 0.000 0.765 835 P CB 0.674 32.355 31.700 -0.031 0.000 0.823 836 A N 0.000 122.802 122.820 -0.031 0.000 2.254 836 A HA 0.000 4.310 4.320 -0.017 0.000 0.244 836 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 836 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486