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 3bd7_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 EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.774 55.803 -0.049 0.000 1.022 12 Q CB 0.000 28.705 28.738 -0.056 0.000 1.108 13 I N -0.590 119.969 120.570 -0.019 0.000 2.648 13 I HA 0.601 4.765 4.170 -0.009 0.000 0.304 13 I C 0.922 177.040 176.117 0.001 0.000 1.009 13 I CA -0.301 60.996 61.300 -0.005 0.000 1.114 13 I CB 1.962 39.964 38.000 0.003 0.000 1.293 13 I HN 0.307 nan 8.210 nan 0.000 0.449 14 S N 3.291 118.997 115.700 0.010 0.000 2.365 14 S HA -0.194 4.271 4.470 -0.009 0.000 0.221 14 S C 1.822 176.433 174.600 0.018 0.000 1.037 14 S CA 2.447 60.656 58.200 0.014 0.000 1.060 14 S CB -0.651 62.563 63.200 0.024 0.000 0.974 14 S HN 0.846 nan 8.310 nan 0.000 0.427 15 V N 0.310 120.243 119.914 0.032 0.000 3.099 15 V HA 0.000 4.115 4.120 -0.009 0.000 0.269 15 V C 1.853 177.962 176.094 0.026 0.000 1.150 15 V CA 1.730 64.052 62.300 0.037 0.000 1.165 15 V CB -1.137 30.717 31.823 0.051 0.000 0.756 15 V HN 0.402 nan 8.190 nan 0.000 0.527 16 R N 1.188 121.694 120.500 0.010 0.000 2.320 16 R HA 0.429 4.763 4.340 -0.009 0.000 0.211 16 R C 1.142 177.433 176.300 -0.016 0.000 0.931 16 R CA 0.532 56.631 56.100 -0.002 0.000 1.071 16 R CB -0.053 30.242 30.300 -0.008 0.000 1.025 16 R HN 0.792 nan 8.270 nan 0.000 0.495 17 G N 0.732 109.522 108.800 -0.016 0.000 2.796 17 G HA2 -0.224 3.731 3.960 -0.009 0.000 0.571 17 G HA3 -0.224 3.731 3.960 -0.009 0.000 0.571 17 G C -0.785 174.098 174.900 -0.027 0.000 1.370 17 G CA -1.060 44.022 45.100 -0.030 0.000 0.856 17 G HN -0.011 nan 8.290 nan 0.000 0.538 18 L N 0.209 121.414 121.223 -0.031 0.000 2.375 18 L HA 0.674 5.008 4.340 -0.009 0.000 0.271 18 L C 1.231 178.086 176.870 -0.025 0.000 1.107 18 L CA 0.347 55.173 54.840 -0.025 0.000 0.806 18 L CB 1.062 43.108 42.059 -0.022 0.000 1.146 18 L HN 1.542 nan 8.230 nan 0.000 0.447 19 A N 2.031 124.839 122.820 -0.019 0.000 3.158 19 A HA 0.562 4.876 4.320 -0.009 0.000 0.319 19 A C 0.751 178.330 177.584 -0.008 0.000 1.204 19 A CA -0.333 51.695 52.037 -0.015 0.000 0.992 19 A CB -0.412 18.579 19.000 -0.015 0.000 1.110 19 A HN 0.806 nan 8.150 nan 0.000 0.519 20 G N -0.367 108.428 108.800 -0.008 0.000 2.559 20 G HA2 0.310 4.265 3.960 -0.009 0.000 0.235 20 G HA3 0.310 4.265 3.960 -0.009 0.000 0.235 20 G C 1.030 175.933 174.900 0.005 0.000 1.266 20 G CA 0.082 45.181 45.100 -0.002 0.000 0.847 20 G HN 0.433 nan 8.290 nan 0.000 0.583 21 V N 1.664 121.582 119.914 0.007 0.000 2.295 21 V HA -0.165 3.949 4.120 -0.009 0.000 0.246 21 V C 2.708 178.812 176.094 0.016 0.000 1.049 21 V CA 2.417 64.723 62.300 0.011 0.000 1.024 21 V CB -0.684 31.145 31.823 0.010 0.000 0.648 21 V HN 0.759 nan 8.190 nan 0.000 0.447 22 E N 0.530 120.740 120.200 0.016 0.000 2.031 22 E HA -0.178 4.167 4.350 -0.009 0.000 0.193 22 E C 2.097 178.716 176.600 0.033 0.000 0.994 22 E CA 1.606 58.020 56.400 0.023 0.000 0.800 22 E CB -0.376 29.338 29.700 0.022 0.000 0.752 22 E HN 0.598 nan 8.360 nan 0.000 0.447 23 N N -0.726 117.992 118.700 0.031 0.000 2.104 23 N HA -0.136 4.598 4.740 -0.009 0.000 0.190 23 N C 1.605 177.141 175.510 0.042 0.000 1.024 23 N CA 1.088 54.162 53.050 0.040 0.000 0.853 23 N CB -0.101 38.395 38.487 0.016 0.000 1.008 23 N HN -0.019 nan 8.380 nan 0.000 0.424 24 V N 0.014 119.944 119.914 0.027 0.000 2.343 24 V HA -0.214 3.900 4.120 -0.009 0.000 0.247 24 V C 2.029 178.143 176.094 0.034 0.000 1.051 24 V CA 1.807 64.122 62.300 0.025 0.000 1.036 24 V CB -0.857 30.977 31.823 0.017 0.000 0.654 24 V HN 0.397 nan 8.190 nan 0.000 0.451 25 T N -0.614 113.961 114.554 0.034 0.000 2.777 25 T HA -0.200 4.144 4.350 -0.009 0.000 0.266 25 T C 1.928 176.661 174.700 0.055 0.000 1.040 25 T CA 1.730 63.852 62.100 0.036 0.000 1.141 25 T CB -0.164 68.721 68.868 0.029 0.000 0.868 25 T HN 0.476 nan 8.240 nan 0.000 0.444 26 E N 1.132 121.372 120.200 0.067 0.000 2.051 26 E HA -0.025 4.319 4.350 -0.009 0.000 0.192 26 E C 2.055 178.732 176.600 0.128 0.000 0.991 26 E CA 1.004 57.458 56.400 0.090 0.000 0.799 26 E CB -0.564 29.197 29.700 0.101 0.000 0.748 26 E HN 0.434 nan 8.360 nan 0.000 0.449 27 L N 0.209 121.515 121.223 0.139 0.000 2.042 27 L HA -0.217 4.117 4.340 -0.009 0.000 0.210 27 L C 2.489 179.468 176.870 0.181 0.000 1.076 27 L CA 1.651 56.598 54.840 0.179 0.000 0.749 27 L CB -0.389 41.745 42.059 0.126 0.000 0.893 27 L HN 0.095 nan 8.230 nan 0.000 0.432 28 K N 0.474 120.940 120.400 0.109 0.000 2.057 28 K HA -0.205 4.109 4.320 -0.009 0.000 0.207 28 K C 2.113 178.813 176.600 0.167 0.000 1.049 28 K CA 1.781 58.125 56.287 0.095 0.000 0.931 28 K CB -0.114 32.401 32.500 0.025 0.000 0.714 28 K HN 0.414 nan 8.250 nan 0.000 0.440 29 K N 0.288 120.766 120.400 0.129 0.000 2.097 29 K HA -0.051 4.264 4.320 -0.009 0.000 0.205 29 K C 1.591 178.277 176.600 0.143 0.000 1.050 29 K CA 1.268 57.627 56.287 0.119 0.000 0.938 29 K CB -0.142 32.404 32.500 0.076 0.000 0.718 29 K HN 0.023 nan 8.250 nan 0.000 0.442 30 N N 0.486 119.286 118.700 0.165 0.000 2.270 30 N HA -0.090 4.644 4.740 -0.009 0.000 0.181 30 N C 1.561 177.226 175.510 0.257 0.000 1.016 30 N CA 0.827 53.970 53.050 0.155 0.000 0.870 30 N CB -0.201 38.389 38.487 0.172 0.000 0.979 30 N HN 0.204 nan 8.380 nan 0.000 0.431 31 F N 2.555 122.604 119.950 0.165 0.000 2.102 31 F HA -0.068 4.454 4.527 -0.009 0.000 0.298 31 F C 2.005 177.907 175.800 0.171 0.000 1.105 31 F CA 1.249 59.361 58.000 0.188 0.000 1.239 31 F CB -0.166 38.915 39.000 0.135 0.000 0.991 31 F HN -0.042 nan 8.300 nan 0.000 0.474 32 N N 0.505 119.428 118.700 0.371 0.000 2.244 32 N HA -0.182 4.553 4.740 -0.009 0.000 0.183 32 N C 2.024 177.600 175.510 0.109 0.000 1.016 32 N CA 1.096 54.280 53.050 0.223 0.000 0.866 32 N CB -0.505 38.094 38.487 0.187 0.000 0.980 32 N HN 0.385 nan 8.380 nan 0.000 0.430 33 R N 0.363 120.931 120.500 0.113 0.000 2.070 33 R HA -0.100 4.234 4.340 -0.009 0.000 0.233 33 R C 1.842 178.210 176.300 0.113 0.000 1.137 33 R CA 1.497 57.682 56.100 0.141 0.000 0.945 33 R CB -0.243 30.089 30.300 0.052 0.000 0.845 33 R HN 0.354 nan 8.270 nan 0.000 0.430 34 H N -0.329 118.779 119.070 0.064 0.000 2.387 34 H HA -0.131 4.419 4.556 -0.009 0.000 0.299 34 H C 1.875 177.137 175.328 -0.109 0.000 1.090 34 H CA 1.471 57.496 56.048 -0.039 0.000 1.332 34 H CB 0.050 29.753 29.762 -0.098 0.000 1.386 34 H HN 0.140 nan 8.280 nan 0.000 0.516 35 L N -0.033 121.168 121.223 -0.036 0.000 2.079 35 L HA -0.197 4.138 4.340 -0.009 0.000 0.210 35 L C 2.162 179.002 176.870 -0.049 0.000 1.081 35 L CA 1.862 56.648 54.840 -0.091 0.000 0.752 35 L CB -0.442 41.564 42.059 -0.088 0.000 0.896 35 L HN 0.299 nan 8.230 nan 0.000 0.433 36 H N -1.683 117.294 119.070 -0.156 0.000 2.276 36 H HA -0.046 4.505 4.556 -0.009 0.000 0.307 36 H C 1.809 176.934 175.328 -0.338 0.000 1.061 36 H CA 2.260 58.124 56.048 -0.307 0.000 1.336 36 H CB -0.315 29.147 29.762 -0.499 0.000 1.396 36 H HN 0.277 nan 8.280 nan 0.000 0.503 37 F N -0.289 119.633 119.950 -0.045 0.000 2.234 37 F HA -0.046 4.476 4.527 -0.009 0.000 0.296 37 F C 2.644 178.364 175.800 -0.132 0.000 1.089 37 F CA 1.458 59.388 58.000 -0.118 0.000 1.343 37 F CB -0.572 38.395 39.000 -0.055 0.000 1.040 37 F HN 0.181 nan 8.300 nan 0.000 0.498 38 T N 0.053 114.642 114.554 0.059 0.000 2.852 38 T HA 0.039 4.384 4.350 -0.009 0.000 0.256 38 T C 2.026 176.638 174.700 -0.148 0.000 1.038 38 T CA 0.937 62.998 62.100 -0.065 0.000 1.141 38 T CB -0.340 68.459 68.868 -0.114 0.000 0.869 38 T HN 0.110 nan 8.240 nan 0.000 0.439 39 L N 1.036 122.171 121.223 -0.147 0.000 2.477 39 L HA 0.196 4.530 4.340 -0.009 0.000 0.220 39 L C 0.357 177.132 176.870 -0.159 0.000 1.106 39 L CA -0.070 54.672 54.840 -0.165 0.000 0.851 39 L CB -0.065 41.902 42.059 -0.153 0.000 0.994 39 L HN -0.019 nan 8.230 nan 0.000 0.462 40 V N 0.825 120.631 119.914 -0.180 0.000 6.125 40 V HA -0.275 3.840 4.120 -0.009 0.000 0.281 40 V C -0.066 175.922 176.094 -0.178 0.000 0.591 40 V CA 1.089 63.255 62.300 -0.223 0.000 0.617 40 V CB -2.162 29.555 31.823 -0.177 0.000 0.336 40 V HN 0.456 nan 8.190 nan 0.000 0.650 41 K N 0.718 121.024 120.400 -0.157 0.000 2.469 41 K HA 0.758 5.073 4.320 -0.009 0.000 0.268 41 K C -0.695 175.878 176.600 -0.044 0.000 1.027 41 K CA -0.395 55.830 56.287 -0.103 0.000 0.893 41 K CB 2.777 35.209 32.500 -0.114 0.000 1.460 41 K HN 0.528 nan 8.250 nan 0.000 0.449 42 D N -1.202 119.189 120.400 -0.015 0.000 2.523 42 D HA 0.324 4.959 4.640 -0.009 0.000 0.236 42 D C 0.548 176.882 176.300 0.057 0.000 1.094 42 D CA -0.743 53.280 54.000 0.038 0.000 0.942 42 D CB 1.036 41.857 40.800 0.035 0.000 1.447 42 D HN 0.101 nan 8.370 nan 0.000 0.479 43 R N 0.401 120.967 120.500 0.111 0.000 2.249 43 R HA -0.036 4.298 4.340 -0.009 0.000 0.230 43 R C 0.628 177.005 176.300 0.128 0.000 1.121 43 R CA 0.560 56.766 56.100 0.178 0.000 0.997 43 R CB -0.767 29.637 30.300 0.174 0.000 0.867 43 R HN 0.531 nan 8.270 nan 0.000 0.465 44 N N 0.121 118.862 118.700 0.069 0.000 2.416 44 N HA -0.061 4.674 4.740 -0.009 0.000 0.177 44 N C 1.486 177.013 175.510 0.029 0.000 1.036 44 N CA 1.152 54.231 53.050 0.048 0.000 0.901 44 N CB 0.519 39.024 38.487 0.031 0.000 0.976 44 N HN 0.210 nan 8.380 nan 0.000 0.444 45 V N -3.130 116.787 119.914 0.006 0.000 3.432 45 V HA 0.524 4.638 4.120 -0.009 0.000 0.298 45 V C 0.749 176.804 176.094 -0.064 0.000 1.464 45 V CA -0.551 61.737 62.300 -0.020 0.000 1.046 45 V CB -0.186 31.621 31.823 -0.027 0.000 0.887 45 V HN 0.014 nan 8.190 nan 0.000 0.441 46 A N 2.197 124.954 122.820 -0.105 0.000 2.477 46 A HA 0.604 4.919 4.320 -0.009 0.000 0.246 46 A C 0.725 178.116 177.584 -0.321 0.000 1.078 46 A CA 0.796 52.656 52.037 -0.296 0.000 0.770 46 A CB -0.027 18.666 19.000 -0.513 0.000 1.011 46 A HN 0.827 nan 8.150 nan 0.000 0.494 47 T N -0.073 114.294 114.554 -0.311 0.000 2.937 47 T HA 0.582 4.926 4.350 -0.009 0.000 0.283 47 T C -2.167 172.448 174.700 -0.141 0.000 1.012 47 T CA -1.742 60.272 62.100 -0.145 0.000 0.997 47 T CB 1.192 70.024 68.868 -0.060 0.000 1.136 47 T HN 0.232 nan 8.240 nan 0.000 0.551 48 P HA -0.063 nan 4.420 nan 0.000 0.218 48 P C 1.606 179.024 177.300 0.198 0.000 1.148 48 P CA 0.909 64.151 63.100 0.237 0.000 0.822 48 P CB 0.054 31.858 31.700 0.173 0.000 0.784 49 R N -0.068 120.495 120.500 0.104 0.000 2.092 49 R HA -0.134 4.201 4.340 -0.009 0.000 0.231 49 R C 1.585 178.062 176.300 0.295 0.000 1.119 49 R CA 1.680 57.888 56.100 0.181 0.000 0.970 49 R CB -0.647 29.683 30.300 0.049 0.000 0.864 49 R HN 0.071 nan 8.270 nan 0.000 0.440 50 D N -0.277 120.160 120.400 0.062 0.000 2.117 50 D HA -0.182 4.453 4.640 -0.009 0.000 0.197 50 D C 1.664 177.979 176.300 0.025 0.000 0.987 50 D CA 1.292 55.276 54.000 -0.027 0.000 0.829 50 D CB -0.293 40.340 40.800 -0.277 0.000 0.961 50 D HN 0.305 nan 8.370 nan 0.000 0.460 51 Y N -0.115 120.293 120.300 0.180 0.000 2.242 51 Y HA -0.180 4.365 4.550 -0.009 0.000 0.291 51 Y C 2.285 178.323 175.900 0.230 0.000 1.137 51 Y CA 0.276 58.519 58.100 0.238 0.000 1.181 51 Y CB -1.076 37.585 38.460 0.336 0.000 0.989 51 Y HN 0.082 nan 8.280 nan 0.000 0.527 52 Y N -0.441 120.016 120.300 0.261 0.000 2.145 52 Y HA -0.276 4.268 4.550 -0.009 0.000 0.286 52 Y C 1.924 177.811 175.900 -0.022 0.000 1.145 52 Y CA 1.241 59.395 58.100 0.090 0.000 1.148 52 Y CB -1.151 37.270 38.460 -0.065 0.000 0.981 52 Y HN 0.042 nan 8.280 nan 0.000 0.507 53 F N 0.290 120.012 119.950 -0.380 0.000 2.171 53 F HA -0.130 4.392 4.527 -0.009 0.000 0.300 53 F C 2.638 178.273 175.800 -0.275 0.000 1.090 53 F CA 1.359 59.083 58.000 -0.460 0.000 1.293 53 F CB -0.858 38.053 39.000 -0.149 0.000 1.013 53 F HN 0.207 nan 8.300 nan 0.000 0.486 54 A N -0.223 122.547 122.820 -0.083 0.000 1.902 54 A HA -0.168 4.147 4.320 -0.009 0.000 0.217 54 A C 2.066 179.539 177.584 -0.185 0.000 1.181 54 A CA 1.512 53.375 52.037 -0.289 0.000 0.623 54 A CB -0.985 17.497 19.000 -0.862 0.000 0.818 54 A HN 0.336 nan 8.150 nan 0.000 0.443 55 L N -0.256 120.977 121.223 0.017 0.000 2.056 55 L HA -0.000 4.334 4.340 -0.009 0.000 0.207 55 L C 2.654 179.512 176.870 -0.020 0.000 1.078 55 L CA 2.105 57.073 54.840 0.213 0.000 0.749 55 L CB -0.934 41.311 42.059 0.310 0.000 0.901 55 L HN 0.339 nan 8.230 nan 0.000 0.433 56 A N -1.187 121.432 122.820 -0.334 0.000 1.883 56 A HA -0.280 4.035 4.320 -0.009 0.000 0.217 56 A C 2.145 179.375 177.584 -0.590 0.000 1.186 56 A CA 2.008 53.722 52.037 -0.537 0.000 0.624 56 A CB -1.097 17.234 19.000 -1.115 0.000 0.822 56 A HN 0.668 nan 8.150 nan 0.000 0.444 57 H N -0.811 117.941 119.070 -0.530 0.000 2.421 57 H HA -0.054 4.497 4.556 -0.009 0.000 0.298 57 H C 2.316 177.378 175.328 -0.443 0.000 1.087 57 H CA 1.923 57.589 56.048 -0.636 0.000 1.330 57 H CB -0.157 28.965 29.762 -1.066 0.000 1.388 57 H HN 0.465 nan 8.280 nan 0.000 0.526 58 T N -0.357 114.146 114.554 -0.085 0.000 2.737 58 T HA -0.124 4.220 4.350 -0.009 0.000 0.265 58 T C 2.253 177.116 174.700 0.272 0.000 1.038 58 T CA 1.331 63.562 62.100 0.219 0.000 1.144 58 T CB -0.357 68.707 68.868 0.328 0.000 0.866 58 T HN 0.101 nan 8.240 nan 0.000 0.434 59 V N 1.576 121.623 119.914 0.222 0.000 2.427 59 V HA -0.118 3.997 4.120 -0.009 0.000 0.248 59 V C 2.593 178.868 176.094 0.301 0.000 1.051 59 V CA 1.582 64.059 62.300 0.295 0.000 1.048 59 V CB -0.642 31.345 31.823 0.274 0.000 0.666 59 V HN 0.373 nan 8.190 nan 0.000 0.456 60 R N 0.321 120.938 120.500 0.196 0.000 2.091 60 R HA -0.220 4.115 4.340 -0.009 0.000 0.238 60 R C 1.968 178.365 176.300 0.162 0.000 1.136 60 R CA 2.114 58.324 56.100 0.185 0.000 0.959 60 R CB -0.430 29.824 30.300 -0.076 0.000 0.856 60 R HN 0.458 nan 8.270 nan 0.000 0.437 61 D N -0.077 120.400 120.400 0.128 0.000 2.158 61 D HA -0.181 4.454 4.640 -0.009 0.000 0.197 61 D C 1.681 177.985 176.300 0.006 0.000 0.995 61 D CA 1.154 55.197 54.000 0.072 0.000 0.846 61 D CB -0.370 40.458 40.800 0.046 0.000 0.941 61 D HN 0.460 nan 8.370 nan 0.000 0.456 62 H N -0.379 118.757 119.070 0.110 0.000 2.524 62 H HA 0.052 4.603 4.556 -0.009 0.000 0.282 62 H C 2.177 177.547 175.328 0.071 0.000 1.016 62 H CA 0.373 56.469 56.048 0.080 0.000 1.270 62 H CB 0.342 30.143 29.762 0.066 0.000 1.394 62 H HN 0.212 nan 8.280 nan 0.000 0.568 63 L N -0.400 120.932 121.223 0.182 0.000 2.202 63 L HA -0.080 4.255 4.340 -0.009 0.000 0.205 63 L C 2.503 179.485 176.870 0.185 0.000 1.083 63 L CA 0.174 55.089 54.840 0.125 0.000 0.790 63 L CB -0.018 42.083 42.059 0.069 0.000 0.942 63 L HN 0.004 nan 8.230 nan 0.000 0.452 64 V N 0.409 120.458 119.914 0.225 0.000 2.252 64 V HA -0.308 3.807 4.120 -0.009 0.000 0.249 64 V C 2.627 178.838 176.094 0.194 0.000 1.056 64 V CA 2.264 64.729 62.300 0.275 0.000 1.022 64 V CB -1.488 30.447 31.823 0.186 0.000 0.641 64 V HN 0.592 nan 8.190 nan 0.000 0.445 65 G N -0.283 108.585 108.800 0.114 0.000 2.476 65 G HA2 -0.281 3.674 3.960 -0.009 0.000 0.218 65 G HA3 -0.281 3.674 3.960 -0.009 0.000 0.218 65 G C 1.724 176.672 174.900 0.079 0.000 1.164 65 G CA 1.039 46.182 45.100 0.071 0.000 0.768 65 G HN 0.482 nan 8.290 nan 0.000 0.560 66 R N -1.484 119.072 120.500 0.093 0.000 2.092 66 R HA -0.071 4.263 4.340 -0.009 0.000 0.231 66 R C 2.275 178.654 176.300 0.132 0.000 1.119 66 R CA 1.106 57.248 56.100 0.069 0.000 0.970 66 R CB -0.356 29.968 30.300 0.040 0.000 0.864 66 R HN 0.489 nan 8.270 nan 0.000 0.440 67 W N 1.698 122.975 121.300 -0.037 0.000 2.355 67 W HA -0.066 4.589 4.660 -0.009 0.000 0.309 67 W C 1.700 178.188 176.519 -0.052 0.000 1.206 67 W CA 0.875 58.194 57.345 -0.044 0.000 1.284 67 W CB -0.549 28.904 29.460 -0.012 0.000 1.145 67 W HN -0.047 nan 8.180 nan 0.000 0.502 68 I N 1.059 121.681 120.570 0.087 0.000 2.226 68 I HA -0.335 3.830 4.170 -0.009 0.000 0.245 68 I C 2.636 178.731 176.117 -0.035 0.000 1.100 68 I CA 1.936 63.201 61.300 -0.059 0.000 1.374 68 I CB -0.584 37.387 38.000 -0.049 0.000 1.057 68 I HN -0.008 nan 8.210 nan 0.000 0.413 69 R N 0.180 120.676 120.500 -0.007 0.000 2.148 69 R HA -0.039 4.295 4.340 -0.009 0.000 0.223 69 R C 1.960 178.225 176.300 -0.059 0.000 1.088 69 R CA 1.434 57.522 56.100 -0.020 0.000 0.985 69 R CB -1.160 29.128 30.300 -0.019 0.000 0.880 69 R HN 0.177 nan 8.270 nan 0.000 0.451 70 T N 1.652 116.148 114.554 -0.098 0.000 2.708 70 T HA -0.104 4.241 4.350 -0.009 0.000 0.266 70 T C 1.828 176.268 174.700 -0.433 0.000 1.037 70 T CA 1.342 63.275 62.100 -0.279 0.000 1.146 70 T CB -0.113 68.622 68.868 -0.221 0.000 0.865 70 T HN 0.233 nan 8.240 nan 0.000 0.435 71 Q N 0.782 120.464 119.800 -0.197 0.000 2.124 71 Q HA -0.086 4.249 4.340 -0.009 0.000 0.202 71 Q C 2.329 178.339 176.000 0.017 0.000 0.977 71 Q CA 1.263 57.021 55.803 -0.075 0.000 0.850 71 Q CB -0.487 28.232 28.738 -0.032 0.000 0.901 71 Q HN 0.476 nan 8.270 nan 0.000 0.429 72 Q N 0.033 119.837 119.800 0.006 0.000 2.119 72 Q HA -0.166 4.169 4.340 -0.009 0.000 0.201 72 Q C 1.871 177.961 176.000 0.149 0.000 0.972 72 Q CA 1.756 57.612 55.803 0.088 0.000 0.847 72 Q CB -0.334 28.435 28.738 0.053 0.000 0.903 72 Q HN 0.540 nan 8.270 nan 0.000 0.433 73 H N -0.918 118.126 119.070 -0.043 0.000 2.319 73 H HA -0.175 4.375 4.556 -0.009 0.000 0.299 73 H C 1.131 176.524 175.328 0.107 0.000 1.092 73 H CA 2.299 58.330 56.048 -0.027 0.000 1.302 73 H CB -0.304 29.368 29.762 -0.149 0.000 1.373 73 H HN 0.342 nan 8.280 nan 0.000 0.497 74 Y N -1.010 119.336 120.300 0.077 0.000 2.224 74 Y HA -0.192 4.353 4.550 -0.009 0.000 0.289 74 Y C 2.445 178.374 175.900 0.048 0.000 1.146 74 Y CA 1.048 59.160 58.100 0.020 0.000 1.182 74 Y CB -1.353 37.176 38.460 0.116 0.000 0.983 74 Y HN 0.359 nan 8.280 nan 0.000 0.524 75 Y N 1.337 121.721 120.300 0.141 0.000 2.181 75 Y HA -0.187 4.358 4.550 -0.009 0.000 0.288 75 Y C 2.096 178.009 175.900 0.021 0.000 1.146 75 Y CA 1.658 59.803 58.100 0.076 0.000 1.164 75 Y CB -0.135 38.359 38.460 0.057 0.000 0.982 75 Y HN 0.056 nan 8.280 nan 0.000 0.515 76 E N 0.539 120.711 120.200 -0.047 0.000 2.015 76 E HA -0.180 4.164 4.350 -0.009 0.000 0.191 76 E C 2.033 178.527 176.600 -0.176 0.000 0.991 76 E CA 1.529 57.841 56.400 -0.147 0.000 0.802 76 E CB -0.371 29.303 29.700 -0.043 0.000 0.759 76 E HN 0.500 nan 8.360 nan 0.000 0.447 77 K N 0.705 120.994 120.400 -0.185 0.000 2.366 77 K HA -0.084 4.231 4.320 -0.009 0.000 0.198 77 K C 0.051 176.586 176.600 -0.108 0.000 1.044 77 K CA 0.520 56.709 56.287 -0.164 0.000 0.973 77 K CB -0.054 32.297 32.500 -0.249 0.000 0.767 77 K HN 0.028 nan 8.250 nan 0.000 0.475 78 D N 0.984 121.332 120.400 -0.086 0.000 2.740 78 D HA -0.109 4.525 4.640 -0.009 0.000 0.231 78 D C -2.352 173.924 176.300 -0.041 0.000 1.194 78 D CA 0.066 54.033 54.000 -0.054 0.000 0.673 78 D CB -0.038 40.704 40.800 -0.097 0.000 0.995 78 D HN 0.182 nan 8.370 nan 0.000 0.411 79 P HA 0.101 nan 4.420 nan 0.000 0.277 79 P C -0.153 177.107 177.300 -0.068 0.000 1.271 79 P CA -0.648 62.416 63.100 -0.060 0.000 0.795 79 P CB 0.647 32.298 31.700 -0.083 0.000 1.101 80 K N 0.945 121.307 120.400 -0.063 0.000 2.401 80 K HA 0.084 4.398 4.320 -0.009 0.000 0.278 80 K C -0.057 176.460 176.600 -0.138 0.000 1.018 80 K CA -0.083 56.162 56.287 -0.070 0.000 0.981 80 K CB 0.255 32.729 32.500 -0.044 0.000 0.933 80 K HN 0.246 nan 8.250 nan 0.000 0.477 81 R N 3.425 123.831 120.500 -0.156 0.000 2.368 81 R HA 0.362 4.696 4.340 -0.009 0.000 0.302 81 R C -0.583 175.450 176.300 -0.444 0.000 1.002 81 R CA -0.455 55.469 56.100 -0.293 0.000 0.929 81 R CB 0.858 30.989 30.300 -0.282 0.000 1.073 81 R HN 0.499 nan 8.270 nan 0.000 0.464 82 I N 4.404 124.648 120.570 -0.543 0.000 2.339 82 I HA 0.227 4.391 4.170 -0.009 0.000 0.290 82 I C -0.742 175.066 176.117 -0.514 0.000 0.994 82 I CA -0.784 60.154 61.300 -0.602 0.000 1.191 82 I CB 0.956 38.485 38.000 -0.785 0.000 1.343 82 I HN 0.536 nan 8.210 nan 0.000 0.458 83 Y N 5.914 126.184 120.300 -0.049 0.000 2.356 83 Y HA 0.295 4.840 4.550 -0.009 0.000 0.334 83 Y C -0.306 175.701 175.900 0.179 0.000 0.958 83 Y CA -0.726 57.474 58.100 0.166 0.000 1.196 83 Y CB 1.189 39.723 38.460 0.124 0.000 1.137 83 Y HN 0.395 nan 8.280 nan 0.000 0.485 84 Y N 4.563 125.044 120.300 0.301 0.000 2.454 84 Y HA 0.477 5.022 4.550 -0.009 0.000 0.345 84 Y C -1.239 174.922 175.900 0.436 0.000 0.970 84 Y CA -0.987 57.296 58.100 0.306 0.000 1.204 84 Y CB 0.302 38.940 38.460 0.296 0.000 1.122 84 Y HN 0.504 nan 8.280 nan 0.000 0.514 85 L N 4.976 126.250 121.223 0.085 0.000 2.265 85 L HA 0.486 4.821 4.340 -0.009 0.000 0.288 85 L C -0.164 176.729 176.870 0.038 0.000 1.058 85 L CA 0.122 55.069 54.840 0.179 0.000 0.809 85 L CB 1.278 43.410 42.059 0.122 0.000 1.179 85 L HN 0.578 nan 8.230 nan 0.000 0.429 86 S N 2.420 118.225 115.700 0.176 0.000 2.533 86 S HA 0.499 4.964 4.470 -0.009 0.000 0.271 86 S C 0.177 174.861 174.600 0.140 0.000 1.143 86 S CA -0.512 57.692 58.200 0.006 0.000 0.891 86 S CB 1.000 63.987 63.200 -0.356 0.000 1.105 86 S HN 0.442 nan 8.310 nan 0.000 0.468 87 L N 2.800 124.149 121.223 0.210 0.000 2.591 87 L HA 0.457 4.791 4.340 -0.009 0.000 0.228 87 L C 0.338 177.404 176.870 0.328 0.000 1.133 87 L CA 1.022 56.052 54.840 0.316 0.000 0.880 87 L CB -0.171 42.094 42.059 0.343 0.000 1.033 87 L HN 0.651 nan 8.230 nan 0.000 0.450 88 E N -1.329 118.933 120.200 0.103 0.000 2.292 88 E HA 0.406 4.751 4.350 -0.009 0.000 0.272 88 E C -1.380 175.083 176.600 -0.228 0.000 0.881 88 E CA -0.434 56.009 56.400 0.071 0.000 0.754 88 E CB 1.911 31.639 29.700 0.047 0.000 1.201 88 E HN -0.166 nan 8.360 nan 0.000 0.425 89 F N 2.195 122.250 119.950 0.175 0.000 2.902 89 F HA 0.167 4.689 4.527 -0.009 0.000 0.368 89 F C -0.882 175.003 175.800 0.142 0.000 1.202 89 F CA -0.745 57.346 58.000 0.152 0.000 1.109 89 F CB 0.943 40.023 39.000 0.133 0.000 1.418 89 F HN 0.488 nan 8.300 nan 0.000 0.527 90 Y N 5.207 125.577 120.300 0.116 0.000 2.632 90 Y HA 0.191 4.735 4.550 -0.009 0.000 0.336 90 Y C 1.046 176.966 175.900 0.033 0.000 1.237 90 Y CA -0.964 57.159 58.100 0.037 0.000 1.595 90 Y CB 0.290 38.753 38.460 0.005 0.000 1.508 90 Y HN 0.534 nan 8.280 nan 0.000 0.480 91 M N 1.429 121.174 119.600 0.241 0.000 2.288 91 M HA 0.096 4.570 4.480 -0.009 0.000 0.266 91 M C 1.577 177.855 176.300 -0.036 0.000 1.072 91 M CA 1.110 56.451 55.300 0.069 0.000 1.132 91 M CB -1.273 31.342 32.600 0.026 0.000 1.386 91 M HN 0.675 nan 8.290 nan 0.000 0.432 92 G N 1.103 109.895 108.800 -0.012 0.000 2.562 92 G HA2 -0.270 3.685 3.960 -0.009 0.000 0.250 92 G HA3 -0.270 3.685 3.960 -0.009 0.000 0.250 92 G C -0.270 174.585 174.900 -0.076 0.000 1.269 92 G CA -0.305 44.742 45.100 -0.088 0.000 0.919 92 G HN 0.437 nan 8.290 nan 0.000 0.574 93 R N -0.784 119.651 120.500 -0.108 0.000 2.582 93 R HA 0.555 4.889 4.340 -0.009 0.000 0.271 93 R C 1.139 177.320 176.300 -0.197 0.000 1.078 93 R CA 0.381 56.425 56.100 -0.092 0.000 1.127 93 R CB 0.637 30.889 30.300 -0.080 0.000 1.038 93 R HN 0.534 nan 8.270 nan 0.000 0.500 94 T N 1.145 115.532 114.554 -0.279 0.000 2.978 94 T HA -0.007 4.337 4.350 -0.009 0.000 0.248 94 T C 1.441 175.755 174.700 -0.642 0.000 1.018 94 T CA -0.170 61.554 62.100 -0.627 0.000 1.026 94 T CB 0.122 68.226 68.868 -1.273 0.000 1.032 94 T HN 0.311 nan 8.240 nan 0.000 0.485 95 L N 2.041 123.112 121.223 -0.254 0.000 1.956 95 L HA -0.094 4.240 4.340 -0.009 0.000 0.216 95 L C 2.457 179.292 176.870 -0.059 0.000 1.073 95 L CA 2.053 56.902 54.840 0.015 0.000 0.762 95 L CB -0.730 41.543 42.059 0.356 0.000 0.889 95 L HN 0.194 nan 8.230 nan 0.000 0.433 96 Q N -0.831 118.935 119.800 -0.057 0.000 2.084 96 Q HA -0.255 4.080 4.340 -0.009 0.000 0.202 96 Q C 2.237 178.166 176.000 -0.119 0.000 0.978 96 Q CA 1.850 57.612 55.803 -0.068 0.000 0.844 96 Q CB -0.318 28.377 28.738 -0.071 0.000 0.898 96 Q HN 0.699 nan 8.270 nan 0.000 0.426 97 N N -0.962 117.627 118.700 -0.185 0.000 2.149 97 N HA -0.147 4.588 4.740 -0.009 0.000 0.188 97 N C 1.318 176.719 175.510 -0.181 0.000 1.019 97 N CA 1.762 54.693 53.050 -0.198 0.000 0.857 97 N CB 0.074 38.408 38.487 -0.254 0.000 0.997 97 N HN 0.221 nan 8.380 nan 0.000 0.426 98 T N 1.161 115.574 114.554 -0.235 0.000 2.777 98 T HA -0.026 4.319 4.350 -0.009 0.000 0.266 98 T C 2.057 176.694 174.700 -0.105 0.000 1.040 98 T CA 0.950 62.929 62.100 -0.201 0.000 1.141 98 T CB -0.033 68.671 68.868 -0.274 0.000 0.868 98 T HN 0.264 nan 8.240 nan 0.000 0.444 99 M N 0.594 120.149 119.600 -0.075 0.000 2.117 99 M HA -0.072 4.402 4.480 -0.009 0.000 0.262 99 M C 2.460 178.726 176.300 -0.057 0.000 1.065 99 M CA 1.189 56.459 55.300 -0.050 0.000 1.114 99 M CB -0.601 31.986 32.600 -0.023 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 0.937 120.822 119.914 -0.048 0.000 2.295 100 V HA -0.267 3.847 4.120 -0.009 0.000 0.246 100 V C 1.729 177.830 176.094 0.011 0.000 1.049 100 V CA 1.950 64.246 62.300 -0.006 0.000 1.024 100 V CB -0.878 30.945 31.823 0.000 0.000 0.648 100 V HN 0.469 nan 8.190 nan 0.000 0.447 101 N N -0.366 118.326 118.700 -0.013 0.000 2.459 101 N HA -0.041 4.694 4.740 -0.009 0.000 0.181 101 N C 1.057 176.469 175.510 -0.164 0.000 1.046 101 N CA 0.703 53.726 53.050 -0.044 0.000 0.904 101 N CB -0.082 38.388 38.487 -0.027 0.000 0.964 101 N HN 0.288 nan 8.380 nan 0.000 0.444 102 L N -0.354 120.791 121.223 -0.130 0.000 2.640 102 L HA 0.413 4.747 4.340 -0.009 0.000 0.230 102 L C 0.538 177.321 176.870 -0.145 0.000 1.123 102 L CA -0.219 54.542 54.840 -0.131 0.000 0.900 102 L CB -0.645 41.359 42.059 -0.091 0.000 1.146 102 L HN 0.082 nan 8.230 nan 0.000 0.484 103 A N -0.451 122.281 122.820 -0.146 0.000 2.846 103 A HA -0.214 4.101 4.320 -0.009 0.000 0.287 103 A C 0.967 178.490 177.584 -0.101 0.000 1.469 103 A CA 0.930 52.893 52.037 -0.123 0.000 0.757 103 A CB -1.939 16.973 19.000 -0.146 0.000 1.033 103 A HN 0.214 nan 8.150 nan 0.000 0.516 104 L N -0.913 120.252 121.223 -0.098 0.000 2.766 104 L HA 0.265 4.599 4.340 -0.009 0.000 0.242 104 L C 1.773 178.607 176.870 -0.061 0.000 1.136 104 L CA 1.376 56.155 54.840 -0.102 0.000 0.933 104 L CB -0.170 41.799 42.059 -0.149 0.000 1.241 104 L HN 0.613 nan 8.230 nan 0.000 0.522 105 E N 0.026 120.199 120.200 -0.044 0.000 2.049 105 E HA -0.242 4.103 4.350 -0.009 0.000 0.198 105 E C 1.559 178.146 176.600 -0.022 0.000 1.007 105 E CA 1.580 57.965 56.400 -0.025 0.000 0.809 105 E CB 0.233 29.921 29.700 -0.020 0.000 0.749 105 E HN 0.420 nan 8.360 nan 0.000 0.450 106 N N -0.055 118.629 118.700 -0.027 0.000 2.188 106 N HA -0.125 4.609 4.740 -0.009 0.000 0.184 106 N C 1.561 177.057 175.510 -0.024 0.000 1.018 106 N CA 1.151 54.185 53.050 -0.026 0.000 0.858 106 N CB -0.298 38.172 38.487 -0.028 0.000 0.989 106 N HN 0.210 nan 8.380 nan 0.000 0.426 107 A N 0.427 123.231 122.820 -0.027 0.000 1.902 107 A HA -0.126 4.189 4.320 -0.009 0.000 0.217 107 A C 2.652 180.229 177.584 -0.011 0.000 1.181 107 A CA 1.183 53.207 52.037 -0.022 0.000 0.623 107 A CB -0.939 18.039 19.000 -0.037 0.000 0.818 107 A HN 0.420 nan 8.150 nan 0.000 0.443 108 C N -0.757 118.536 119.300 -0.011 0.000 2.440 108 C HA -0.057 4.398 4.460 -0.009 0.000 0.278 108 C C 2.465 177.457 174.990 0.004 0.000 1.295 108 C CA 1.116 60.138 59.018 0.006 0.000 1.738 108 C CB -1.013 26.742 27.740 0.025 0.000 1.987 108 C HN 0.697 nan 8.230 nan 0.000 0.492 109 D N 0.713 121.114 120.400 0.003 0.000 2.144 109 D HA -0.133 4.501 4.640 -0.009 0.000 0.200 109 D C 2.121 178.437 176.300 0.026 0.000 0.978 109 D CA 1.418 55.422 54.000 0.007 0.000 0.833 109 D CB -0.204 40.589 40.800 -0.013 0.000 0.961 109 D HN 0.488 nan 8.370 nan 0.000 0.470 110 E N 0.301 120.512 120.200 0.017 0.000 2.046 110 E HA -0.014 4.331 4.350 -0.009 0.000 0.190 110 E C 1.919 178.562 176.600 0.073 0.000 0.982 110 E CA 1.568 58.002 56.400 0.058 0.000 0.800 110 E CB -0.572 29.144 29.700 0.026 0.000 0.756 110 E HN 0.183 nan 8.360 nan 0.000 0.449 111 A N 0.004 122.830 122.820 0.011 0.000 1.883 111 A HA -0.233 4.081 4.320 -0.009 0.000 0.217 111 A C 2.498 180.009 177.584 -0.123 0.000 1.186 111 A CA 2.973 54.986 52.037 -0.040 0.000 0.624 111 A CB -1.531 17.447 19.000 -0.035 0.000 0.822 111 A HN 0.527 nan 8.150 nan 0.000 0.444 112 T N -3.719 110.758 114.554 -0.129 0.000 2.867 112 T HA -0.202 4.142 4.350 -0.009 0.000 0.268 112 T C 1.838 176.459 174.700 -0.132 0.000 1.057 112 T CA 1.492 63.458 62.100 -0.225 0.000 1.136 112 T CB -0.565 68.214 68.868 -0.149 0.000 0.874 112 T HN 0.470 nan 8.240 nan 0.000 0.466 113 Y N 2.200 122.421 120.300 -0.132 0.000 2.145 113 Y HA -0.081 4.464 4.550 -0.008 0.000 0.286 113 Y C 2.591 178.429 175.900 -0.103 0.000 1.145 113 Y CA 1.479 59.520 58.100 -0.099 0.000 1.148 113 Y CB -0.581 37.840 38.460 -0.065 0.000 0.981 113 Y HN 0.241 nan 8.280 nan 0.000 0.507 114 Q N -0.930 118.765 119.800 -0.175 0.000 2.291 114 Q HA -0.117 4.218 4.340 -0.009 0.000 0.205 114 Q C 1.461 177.314 176.000 -0.246 0.000 0.970 114 Q CA 0.888 56.550 55.803 -0.236 0.000 0.876 114 Q CB -0.064 28.624 28.738 -0.084 0.000 0.935 114 Q HN 0.353 nan 8.270 nan 0.000 0.455 115 L N -0.982 120.085 121.223 -0.259 0.000 2.591 115 L HA 0.155 4.489 4.340 -0.009 0.000 0.228 115 L C 1.062 177.767 176.870 -0.275 0.000 1.133 115 L CA 1.121 55.798 54.840 -0.271 0.000 0.880 115 L CB -0.194 41.620 42.059 -0.408 0.000 1.033 115 L HN 0.291 nan 8.230 nan 0.000 0.450 116 G N -0.191 108.431 108.800 -0.297 0.000 2.171 116 G HA2 -0.237 3.717 3.960 -0.009 0.000 0.238 116 G HA3 -0.237 3.717 3.960 -0.009 0.000 0.238 116 G C 0.025 174.795 174.900 -0.216 0.000 1.039 116 G CA 0.279 45.224 45.100 -0.259 0.000 0.759 116 G HN 0.272 nan 8.290 nan 0.000 0.501 117 L N -0.397 120.698 121.223 -0.212 0.000 2.354 117 L HA 0.622 4.957 4.340 -0.009 0.000 0.264 117 L C -0.678 176.167 176.870 -0.041 0.000 1.008 117 L CA -1.202 53.544 54.840 -0.157 0.000 0.819 117 L CB 1.966 43.871 42.059 -0.257 0.000 1.339 117 L HN 0.097 nan 8.230 nan 0.000 0.420 118 D N 1.931 122.334 120.400 0.005 0.000 2.373 118 D HA 0.192 4.827 4.640 -0.009 0.000 0.227 118 D C 0.634 176.966 176.300 0.052 0.000 1.091 118 D CA -0.295 53.734 54.000 0.048 0.000 0.840 118 D CB 1.521 42.352 40.800 0.053 0.000 1.060 118 D HN 0.521 nan 8.370 nan 0.000 0.502 119 M N 3.147 122.778 119.600 0.052 0.000 2.149 119 M HA -0.159 4.316 4.480 -0.009 0.000 0.261 119 M C 1.342 177.686 176.300 0.074 0.000 1.064 119 M CA 1.587 56.927 55.300 0.066 0.000 1.102 119 M CB 0.174 32.806 32.600 0.053 0.000 1.369 119 M HN 0.432 nan 8.290 nan 0.000 0.408 120 E N -0.163 120.071 120.200 0.056 0.000 2.110 120 E HA -0.274 4.071 4.350 -0.009 0.000 0.193 120 E C 1.862 178.498 176.600 0.059 0.000 0.988 120 E CA 1.583 58.014 56.400 0.052 0.000 0.804 120 E CB -0.167 29.561 29.700 0.045 0.000 0.745 120 E HN 0.645 nan 8.360 nan 0.000 0.458 121 E N 0.355 120.593 120.200 0.064 0.000 2.110 121 E HA -0.204 4.140 4.350 -0.009 0.000 0.193 121 E C 1.903 178.549 176.600 0.076 0.000 0.988 121 E CA 0.646 57.086 56.400 0.065 0.000 0.804 121 E CB 0.149 29.889 29.700 0.067 0.000 0.745 121 E HN 0.078 nan 8.360 nan 0.000 0.458 122 L N 1.364 122.654 121.223 0.111 0.000 2.093 122 L HA -0.127 4.207 4.340 -0.009 0.000 0.208 122 L C 2.038 178.974 176.870 0.111 0.000 1.085 122 L CA 1.617 56.557 54.840 0.167 0.000 0.755 122 L CB -0.492 41.717 42.059 0.250 0.000 0.904 122 L HN 0.141 nan 8.230 nan 0.000 0.435 123 E N -0.667 119.586 120.200 0.088 0.000 2.153 123 E HA -0.186 4.159 4.350 -0.009 0.000 0.194 123 E C 1.706 178.270 176.600 -0.060 0.000 0.988 123 E CA 0.727 57.148 56.400 0.036 0.000 0.811 123 E CB -0.040 29.687 29.700 0.046 0.000 0.746 123 E HN 0.429 nan 8.360 nan 0.000 0.466 124 E N 0.359 120.542 120.200 -0.029 0.000 2.478 124 E HA -0.083 4.262 4.350 -0.009 0.000 0.198 124 E C 1.809 178.353 176.600 -0.092 0.000 1.046 124 E CA 0.486 56.869 56.400 -0.029 0.000 0.870 124 E CB 0.099 29.814 29.700 0.026 0.000 0.818 124 E HN 0.427 nan 8.360 nan 0.000 0.527 125 I N 0.675 121.129 120.570 -0.193 0.000 2.716 125 I HA -0.077 4.087 4.170 -0.009 0.000 0.259 125 I C 1.344 177.179 176.117 -0.470 0.000 1.172 125 I CA 0.131 61.262 61.300 -0.281 0.000 1.478 125 I CB 0.124 37.972 38.000 -0.253 0.000 1.104 125 I HN -0.021 nan 8.210 nan 0.000 0.439 126 E N 2.739 122.525 120.200 -0.691 0.000 2.376 126 E HA -0.030 4.314 4.350 -0.009 0.000 0.266 126 E C -0.235 176.282 176.600 -0.139 0.000 1.009 126 E CA -0.221 55.828 56.400 -0.586 0.000 0.902 126 E CB 0.671 30.112 29.700 -0.432 0.000 0.972 126 E HN 0.075 nan 8.360 nan 0.000 0.439 127 E N 3.346 123.564 120.200 0.030 0.000 2.354 127 E HA 0.081 4.426 4.350 -0.009 0.000 0.269 127 E C -0.836 175.877 176.600 0.187 0.000 1.036 127 E CA -0.212 56.288 56.400 0.167 0.000 0.876 127 E CB 0.811 30.701 29.700 0.317 0.000 1.009 127 E HN 0.490 nan 8.360 nan 0.000 0.416 128 D N 0.578 121.062 120.400 0.141 0.000 2.382 128 D HA 0.213 4.848 4.640 -0.009 0.000 0.245 128 D C -0.412 175.926 176.300 0.064 0.000 1.120 128 D CA 0.038 54.091 54.000 0.087 0.000 0.890 128 D CB 0.724 41.562 40.800 0.064 0.000 1.201 128 D HN 0.374 nan 8.370 nan 0.000 0.433 129 A N 2.116 124.920 122.820 -0.026 0.000 2.798 129 A HA 0.485 4.799 4.320 -0.009 0.000 0.316 129 A C 0.921 178.346 177.584 -0.264 0.000 1.506 129 A CA -0.514 51.300 52.037 -0.371 0.000 1.162 129 A CB -0.248 18.620 19.000 -0.219 0.000 1.138 129 A HN 0.522 nan 8.150 nan 0.000 0.532 130 G N 1.950 110.544 108.800 -0.343 0.000 3.541 130 G HA2 0.409 4.363 3.960 -0.009 0.000 0.253 130 G HA3 0.409 4.363 3.960 -0.009 0.000 0.253 130 G C 0.302 174.933 174.900 -0.449 0.000 1.017 130 G CA -0.283 44.672 45.100 -0.243 0.000 1.832 130 G HN 0.692 nan 8.290 nan 0.000 0.649 131 L N 1.419 122.451 121.223 -0.318 0.000 2.939 131 L HA 0.382 4.716 4.340 -0.009 0.000 0.239 131 L C 1.049 177.851 176.870 -0.113 0.000 1.325 131 L CA -0.216 54.555 54.840 -0.116 0.000 1.170 131 L CB -0.374 41.741 42.059 0.093 0.000 1.538 131 L HN 0.348 nan 8.230 nan 0.000 0.452 132 G N -1.253 107.249 108.800 -0.496 0.000 2.623 132 G HA2 0.197 4.152 3.960 -0.009 0.000 0.290 132 G HA3 0.197 4.152 3.960 -0.009 0.000 0.290 132 G C -0.182 174.319 174.900 -0.665 0.000 1.437 132 G CA -0.445 44.384 45.100 -0.452 0.000 0.798 132 G HN -0.083 nan 8.290 nan 0.000 0.488 133 N N -0.876 117.655 118.700 -0.280 0.000 2.439 133 N HA 0.233 4.968 4.740 -0.009 0.000 0.176 133 N C 1.111 176.640 175.510 0.032 0.000 1.029 133 N CA 1.260 54.222 53.050 -0.148 0.000 0.886 133 N CB 1.379 39.862 38.487 -0.006 0.000 1.057 133 N HN 0.848 nan 8.380 nan 0.000 0.437 134 G N -0.694 108.193 108.800 0.145 0.000 2.725 134 G HA2 0.206 4.160 3.960 -0.009 0.000 0.098 134 G HA3 0.206 4.160 3.960 -0.009 0.000 0.098 134 G C 0.719 175.721 174.900 0.170 0.000 1.188 134 G CA 0.217 45.454 45.100 0.229 0.000 1.237 134 G HN 0.137 nan 8.290 nan 0.000 0.596 135 G N 0.394 109.246 108.800 0.086 0.000 2.476 135 G HA2 -0.131 3.824 3.960 -0.009 0.000 0.218 135 G HA3 -0.131 3.824 3.960 -0.009 0.000 0.218 135 G C 1.889 176.773 174.900 -0.027 0.000 1.164 135 G CA 1.566 46.679 45.100 0.021 0.000 0.768 135 G HN 0.803 nan 8.290 nan 0.000 0.560 136 L N 0.596 121.782 121.223 -0.062 0.000 2.046 136 L HA 0.089 4.423 4.340 -0.009 0.000 0.208 136 L C 2.836 179.637 176.870 -0.116 0.000 1.077 136 L CA 1.939 56.663 54.840 -0.193 0.000 0.747 136 L CB -0.531 41.370 42.059 -0.264 0.000 0.896 136 L HN 0.245 nan 8.230 nan 0.000 0.432 137 G N -0.812 107.982 108.800 -0.011 0.000 2.403 137 G HA2 -0.243 3.712 3.960 -0.009 0.000 0.216 137 G HA3 -0.243 3.712 3.960 -0.009 0.000 0.216 137 G C 1.689 176.650 174.900 0.101 0.000 1.154 137 G CA 0.265 45.385 45.100 0.032 0.000 0.784 137 G HN 0.182 nan 8.290 nan 0.000 0.538 138 R N 0.182 120.757 120.500 0.126 0.000 2.115 138 R HA 0.109 4.444 4.340 -0.009 0.000 0.226 138 R C 2.407 178.702 176.300 -0.007 0.000 1.100 138 R CA 0.670 56.825 56.100 0.090 0.000 0.980 138 R CB -1.018 29.303 30.300 0.035 0.000 0.875 138 R HN 0.380 nan 8.270 nan 0.000 0.445 139 L N 0.684 121.833 121.223 -0.125 0.000 2.042 139 L HA -0.068 4.266 4.340 -0.009 0.000 0.210 139 L C 2.169 178.734 176.870 -0.509 0.000 1.076 139 L CA 2.213 56.833 54.840 -0.367 0.000 0.749 139 L CB -0.791 41.014 42.059 -0.424 0.000 0.893 139 L HN 0.197 nan 8.230 nan 0.000 0.432 140 A N -0.696 121.967 122.820 -0.262 0.000 1.902 140 A HA -0.124 4.191 4.320 -0.009 0.000 0.217 140 A C 2.436 180.072 177.584 0.086 0.000 1.181 140 A CA 1.800 53.757 52.037 -0.134 0.000 0.623 140 A CB -1.108 17.787 19.000 -0.176 0.000 0.818 140 A HN 0.563 nan 8.150 nan 0.000 0.443 141 A N -1.093 121.810 122.820 0.140 0.000 1.898 141 A HA -0.147 4.167 4.320 -0.009 0.000 0.216 141 A C 2.303 179.962 177.584 0.124 0.000 1.181 141 A CA 1.621 53.769 52.037 0.185 0.000 0.620 141 A CB -1.239 17.858 19.000 0.162 0.000 0.819 141 A HN 0.589 nan 8.150 nan 0.000 0.442 142 C N -1.470 117.899 119.300 0.116 0.000 2.425 142 C HA -0.052 4.402 4.460 -0.009 0.000 0.277 142 C C 2.421 177.572 174.990 0.268 0.000 1.280 142 C CA 0.576 59.703 59.018 0.181 0.000 1.744 142 C CB -1.598 26.270 27.740 0.214 0.000 1.989 142 C HN 0.606 nan 8.230 nan 0.000 0.491 143 F N 1.188 121.118 119.950 -0.034 0.000 2.134 143 F HA -0.076 4.445 4.527 -0.009 0.000 0.299 143 F C 2.248 177.984 175.800 -0.106 0.000 1.097 143 F CA 1.008 58.935 58.000 -0.121 0.000 1.264 143 F CB -1.381 37.410 39.000 -0.349 0.000 1.001 143 F HN 0.195 nan 8.300 nan 0.000 0.479 144 L N -0.390 120.906 121.223 0.121 0.000 2.042 144 L HA -0.258 4.076 4.340 -0.009 0.000 0.210 144 L C 2.175 179.052 176.870 0.011 0.000 1.076 144 L CA 1.981 56.845 54.840 0.040 0.000 0.749 144 L CB -0.780 41.302 42.059 0.038 0.000 0.893 144 L HN 0.107 nan 8.230 nan 0.000 0.432 145 D N -0.454 119.963 120.400 0.029 0.000 2.097 145 D HA -0.177 4.457 4.640 -0.009 0.000 0.195 145 D C 2.210 178.521 176.300 0.019 0.000 0.989 145 D CA 1.570 55.573 54.000 0.005 0.000 0.827 145 D CB 0.189 40.992 40.800 0.005 0.000 0.966 145 D HN 0.075 nan 8.370 nan 0.000 0.456 146 S N -0.741 114.986 115.700 0.046 0.000 2.383 146 S HA -0.111 4.353 4.470 -0.009 0.000 0.227 146 S C 2.003 176.609 174.600 0.010 0.000 1.026 146 S CA 0.902 59.120 58.200 0.030 0.000 0.981 146 S CB -0.231 62.990 63.200 0.035 0.000 0.818 146 S HN 0.347 nan 8.310 nan 0.000 0.472 147 M N 0.954 120.553 119.600 -0.003 0.000 2.159 147 M HA -0.099 4.375 4.480 -0.009 0.000 0.263 147 M C 2.433 178.728 176.300 -0.009 0.000 1.063 147 M CA 1.408 56.703 55.300 -0.009 0.000 1.110 147 M CB -0.516 32.058 32.600 -0.042 0.000 1.374 147 M HN 0.394 nan 8.290 nan 0.000 0.411 148 A N -0.312 122.500 122.820 -0.014 0.000 1.929 148 A HA -0.098 4.216 4.320 -0.009 0.000 0.216 148 A C 2.152 179.746 177.584 0.015 0.000 1.176 148 A CA 1.849 53.881 52.037 -0.008 0.000 0.628 148 A CB -0.974 18.005 19.000 -0.035 0.000 0.816 148 A HN 0.409 nan 8.150 nan 0.000 0.444 149 T N 0.239 114.807 114.554 0.024 0.000 2.962 149 T HA 0.036 4.381 4.350 -0.009 0.000 0.270 149 T C 1.219 175.946 174.700 0.043 0.000 1.088 149 T CA 0.958 63.086 62.100 0.048 0.000 1.127 149 T CB -0.247 68.657 68.868 0.061 0.000 0.883 149 T HN 0.337 nan 8.240 nan 0.000 0.493 150 L N 0.452 121.696 121.223 0.035 0.000 2.685 150 L HA 0.325 4.659 4.340 -0.009 0.000 0.233 150 L C 1.563 178.460 176.870 0.046 0.000 1.173 150 L CA -0.205 54.658 54.840 0.039 0.000 0.961 150 L CB -0.313 41.768 42.059 0.037 0.000 1.217 150 L HN 0.351 nan 8.230 nan 0.000 0.478 151 G N 1.251 110.082 108.800 0.052 0.000 2.283 151 G HA2 -0.289 3.666 3.960 -0.009 0.000 0.280 151 G HA3 -0.289 3.666 3.960 -0.009 0.000 0.280 151 G C 0.087 175.032 174.900 0.074 0.000 1.029 151 G CA 0.127 45.276 45.100 0.082 0.000 0.840 151 G HN 0.297 nan 8.290 nan 0.000 0.505 152 L N -0.220 121.014 121.223 0.019 0.000 2.334 152 L HA 0.611 4.946 4.340 -0.009 0.000 0.277 152 L C 1.185 177.928 176.870 -0.211 0.000 1.075 152 L CA -0.422 54.379 54.840 -0.064 0.000 0.804 152 L CB 1.668 43.703 42.059 -0.041 0.000 1.174 152 L HN 0.249 nan 8.230 nan 0.000 0.438 153 A N 3.157 125.708 122.820 -0.448 0.000 3.026 153 A HA 0.551 4.866 4.320 -0.009 0.000 0.272 153 A C 0.348 177.564 177.584 -0.613 0.000 1.782 153 A CA -0.148 51.331 52.037 -0.931 0.000 1.451 153 A CB -0.664 17.665 19.000 -1.118 0.000 1.081 153 A HN 0.704 nan 8.150 nan 0.000 0.611 154 A N 1.344 123.854 122.820 -0.516 0.000 2.325 154 A HA 0.810 5.125 4.320 -0.009 0.000 0.333 154 A C -0.989 176.284 177.584 -0.518 0.000 1.155 154 A CA -0.463 51.323 52.037 -0.418 0.000 0.814 154 A CB 0.759 19.596 19.000 -0.272 0.000 1.206 154 A HN 0.617 nan 8.150 nan 0.000 0.482 155 Y N 0.036 120.247 120.300 -0.149 0.000 2.406 155 Y HA 0.540 5.085 4.550 -0.009 0.000 0.340 155 Y C 0.782 176.723 175.900 0.069 0.000 0.975 155 Y CA -0.510 57.558 58.100 -0.053 0.000 1.056 155 Y CB 2.449 40.938 38.460 0.049 0.000 1.210 155 Y HN 0.844 nan 8.280 nan 0.000 0.448 156 G N 2.048 110.893 108.800 0.074 0.000 2.332 156 G HA2 0.482 4.436 3.960 -0.009 0.000 0.310 156 G HA3 0.482 4.436 3.960 -0.009 0.000 0.310 156 G C -1.835 173.062 174.900 -0.005 0.000 1.123 156 G CA -0.310 44.884 45.100 0.158 0.000 0.873 156 G HN 0.506 nan 8.290 nan 0.000 0.460 157 Y N 0.955 121.485 120.300 0.384 0.000 2.350 157 Y HA 0.633 5.178 4.550 -0.009 0.000 0.338 157 Y C 0.744 176.951 175.900 0.511 0.000 0.961 157 Y CA 0.156 58.451 58.100 0.325 0.000 1.100 157 Y CB 2.645 41.316 38.460 0.352 0.000 1.179 157 Y HN 0.872 nan 8.280 nan 0.000 0.454 158 G N 2.333 111.464 108.800 0.552 0.000 2.871 158 G HA2 0.615 4.569 3.960 -0.009 0.000 0.282 158 G HA3 0.615 4.569 3.960 -0.009 0.000 0.282 158 G C -1.715 173.419 174.900 0.391 0.000 1.212 158 G CA -0.803 44.640 45.100 0.573 0.000 0.812 158 G HN 0.419 nan 8.290 nan 0.000 0.547 159 I N 0.520 121.209 120.570 0.199 0.000 2.474 159 I HA 0.431 4.596 4.170 -0.009 0.000 0.294 159 I C 0.183 176.197 176.117 -0.173 0.000 1.005 159 I CA -0.729 60.577 61.300 0.010 0.000 1.113 159 I CB 2.317 40.143 38.000 -0.290 0.000 1.289 159 I HN 0.367 nan 8.210 nan 0.000 0.436 160 R N 6.031 126.536 120.500 0.009 0.000 2.608 160 R HA 0.234 4.569 4.340 -0.009 0.000 0.277 160 R C -1.257 175.098 176.300 0.092 0.000 1.341 160 R CA -0.426 55.712 56.100 0.063 0.000 1.199 160 R CB -0.045 30.263 30.300 0.014 0.000 1.156 160 R HN 0.386 nan 8.270 nan 0.000 0.558 161 Y N 1.499 121.956 120.300 0.262 0.000 2.511 161 Y HA -0.073 4.471 4.550 -0.009 0.000 0.332 161 Y C 1.554 177.634 175.900 0.298 0.000 1.177 161 Y CA 0.067 58.313 58.100 0.244 0.000 1.422 161 Y CB 0.819 39.398 38.460 0.198 0.000 1.271 161 Y HN 0.587 nan 8.280 nan 0.000 0.550 162 E N 2.017 122.412 120.200 0.324 0.000 2.152 162 E HA -0.050 4.294 4.350 -0.009 0.000 0.192 162 E C -0.745 175.744 176.600 -0.185 0.000 0.983 162 E CA 0.680 57.078 56.400 -0.003 0.000 0.818 162 E CB 0.195 29.821 29.700 -0.124 0.000 0.758 162 E HN 0.492 nan 8.360 nan 0.000 0.467 163 F N -0.394 119.773 119.950 0.360 0.000 2.507 163 F HA 0.432 4.953 4.527 -0.009 0.000 0.328 163 F C 0.746 176.633 175.800 0.146 0.000 1.136 163 F CA -0.875 57.295 58.000 0.284 0.000 0.930 163 F CB 1.860 40.957 39.000 0.162 0.000 1.166 163 F HN -0.121 nan 8.300 nan 0.000 0.436 164 G N 1.813 110.712 108.800 0.166 0.000 2.531 164 G HA2 0.352 4.306 3.960 -0.009 0.000 0.253 164 G HA3 0.352 4.306 3.960 -0.009 0.000 0.253 164 G C -0.513 174.338 174.900 -0.082 0.000 1.439 164 G CA -0.695 44.349 45.100 -0.094 0.000 1.056 164 G HN 0.551 nan 8.290 nan 0.000 0.555 165 I N 0.964 121.401 120.570 -0.221 0.000 2.752 165 I HA 0.196 4.360 4.170 -0.009 0.000 0.289 165 I C 0.542 176.558 176.117 -0.170 0.000 1.197 165 I CA -1.160 59.983 61.300 -0.260 0.000 1.432 165 I CB -0.356 37.390 38.000 -0.423 0.000 1.359 165 I HN 0.330 nan 8.210 nan 0.000 0.571 166 F N 6.385 126.346 119.950 0.017 0.000 2.589 166 F HA 0.254 4.776 4.527 -0.009 0.000 0.352 166 F C 0.474 176.326 175.800 0.087 0.000 1.168 166 F CA -0.536 57.498 58.000 0.057 0.000 1.353 166 F CB -0.312 38.710 39.000 0.036 0.000 1.116 166 F HN 0.434 nan 8.300 nan 0.000 0.608 167 N N 2.240 121.133 118.700 0.321 0.000 2.488 167 N HA 0.068 4.802 4.740 -0.009 0.000 0.274 167 N C -0.888 174.864 175.510 0.404 0.000 1.111 167 N CA -0.317 52.888 53.050 0.259 0.000 0.974 167 N CB 1.245 39.869 38.487 0.228 0.000 1.089 167 N HN 0.758 nan 8.380 nan 0.000 0.465 168 Q N 2.466 122.475 119.800 0.347 0.000 2.278 168 Q HA 0.187 4.522 4.340 -0.009 0.000 0.257 168 Q C -0.976 175.194 176.000 0.283 0.000 0.928 168 Q CA -0.445 55.595 55.803 0.395 0.000 0.932 168 Q CB 0.726 29.708 28.738 0.406 0.000 1.221 168 Q HN 0.225 nan 8.270 nan 0.000 0.434 169 K N 4.017 124.557 120.400 0.233 0.000 2.203 169 K HA 0.487 4.802 4.320 -0.009 0.000 0.251 169 K C -0.667 176.027 176.600 0.157 0.000 0.944 169 K CA -0.872 55.527 56.287 0.187 0.000 0.829 169 K CB 1.592 34.182 32.500 0.149 0.000 1.125 169 K HN 0.631 nan 8.250 nan 0.000 0.430 170 I N 2.462 123.115 120.570 0.139 0.000 2.330 170 I HA 0.217 4.381 4.170 -0.009 0.000 0.289 170 I C -0.392 175.777 176.117 0.086 0.000 1.001 170 I CA -0.628 60.723 61.300 0.086 0.000 1.193 170 I CB 0.772 38.806 38.000 0.056 0.000 1.345 170 I HN 0.401 nan 8.210 nan 0.000 0.461 171 C N 3.952 123.313 119.300 0.102 0.000 2.322 171 C HA 0.592 5.047 4.460 -0.009 0.000 0.324 171 C C 1.153 176.241 174.990 0.163 0.000 1.249 171 C CA -0.499 58.586 59.018 0.111 0.000 1.453 171 C CB 0.550 28.350 27.740 0.100 0.000 2.145 171 C HN 1.085 nan 8.230 nan 0.000 0.466 172 G N 2.371 111.241 108.800 0.118 0.000 2.225 172 G HA2 0.113 4.068 3.960 -0.009 0.000 0.267 172 G HA3 0.113 4.068 3.960 -0.009 0.000 0.267 172 G C 1.075 176.005 174.900 0.050 0.000 1.024 172 G CA 0.952 46.136 45.100 0.139 0.000 0.784 172 G HN 2.415 nan 8.290 nan 0.000 0.507 173 G N -3.016 105.749 108.800 -0.058 0.000 2.179 173 G HA2 -0.281 3.674 3.960 -0.009 0.000 0.260 173 G HA3 -0.281 3.674 3.960 -0.009 0.000 0.260 173 G C 0.298 174.946 174.900 -0.419 0.000 0.977 173 G CA 0.689 45.629 45.100 -0.267 0.000 0.641 173 G HN 1.218 nan 8.290 nan 0.000 0.533 174 W N 0.488 121.727 121.300 -0.101 0.000 2.570 174 W HA 0.667 5.321 4.660 -0.009 0.000 0.337 174 W C 0.540 176.997 176.519 -0.103 0.000 1.067 174 W CA -0.968 56.310 57.345 -0.111 0.000 1.229 174 W CB 0.936 30.348 29.460 -0.081 0.000 1.355 174 W HN 0.246 nan 8.180 nan 0.000 0.555 175 Q N 3.020 122.908 119.800 0.146 0.000 2.304 175 Q HA 0.288 4.623 4.340 -0.009 0.000 0.260 175 Q C -0.636 175.412 176.000 0.081 0.000 0.965 175 Q CA 0.166 56.022 55.803 0.088 0.000 0.898 175 Q CB 0.586 29.368 28.738 0.073 0.000 1.196 175 Q HN 0.319 nan 8.270 nan 0.000 0.402 176 M N 3.110 122.752 119.600 0.071 0.000 2.465 176 M HA 0.396 4.871 4.480 -0.009 0.000 0.316 176 M C -1.188 175.114 176.300 0.004 0.000 1.121 176 M CA -0.651 54.661 55.300 0.021 0.000 0.934 176 M CB 1.899 34.527 32.600 0.047 0.000 1.692 176 M HN 0.637 nan 8.290 nan 0.000 0.444 177 E N 1.607 121.743 120.200 -0.107 0.000 2.191 177 E HA 0.539 4.884 4.350 -0.009 0.000 0.274 177 E C -0.764 175.826 176.600 -0.016 0.000 0.948 177 E CA -0.639 55.668 56.400 -0.156 0.000 0.802 177 E CB 1.931 31.284 29.700 -0.580 0.000 1.137 177 E HN 0.536 nan 8.360 nan 0.000 0.397 178 E N 0.828 121.096 120.200 0.113 0.000 2.331 178 E HA 0.686 5.030 4.350 -0.009 0.000 0.275 178 E C -1.192 175.503 176.600 0.158 0.000 0.895 178 E CA -1.418 55.042 56.400 0.102 0.000 0.753 178 E CB 1.404 31.172 29.700 0.113 0.000 1.216 178 E HN 0.486 nan 8.360 nan 0.000 0.434 179 A N 2.381 125.256 122.820 0.092 0.000 2.565 179 A HA 0.049 4.364 4.320 -0.009 0.000 0.237 179 A C -0.014 177.751 177.584 0.301 0.000 1.053 179 A CA 0.414 52.526 52.037 0.125 0.000 0.755 179 A CB 0.006 18.954 19.000 -0.086 0.000 0.980 179 A HN 0.680 nan 8.150 nan 0.000 0.506 180 D N 1.737 122.385 120.400 0.413 0.000 2.522 180 D HA 0.199 4.833 4.640 -0.009 0.000 0.218 180 D C -0.414 176.205 176.300 0.531 0.000 1.149 180 D CA -0.218 54.019 54.000 0.396 0.000 0.981 180 D CB 0.305 41.272 40.800 0.278 0.000 1.041 180 D HN 0.401 nan 8.370 nan 0.000 0.518 181 D N 3.627 124.298 120.400 0.452 0.000 2.801 181 D HA -0.027 4.608 4.640 -0.009 0.000 0.232 181 D C 1.263 177.672 176.300 0.181 0.000 1.128 181 D CA -0.553 53.608 54.000 0.267 0.000 1.003 181 D CB -0.203 40.765 40.800 0.281 0.000 1.110 181 D HN 0.526 nan 8.370 nan 0.000 0.477 182 W N 1.727 123.041 121.300 0.023 0.000 2.468 182 W HA -0.064 4.590 4.660 -0.009 0.000 0.262 182 W C 0.014 176.571 176.519 0.062 0.000 1.241 182 W CA 0.193 57.578 57.345 0.067 0.000 1.232 182 W CB -0.723 28.784 29.460 0.079 0.000 1.124 182 W HN 0.207 nan 8.180 nan 0.000 0.597 183 L N 0.858 121.708 121.223 -0.622 0.000 2.607 183 L HA 0.186 4.520 4.340 -0.009 0.000 0.228 183 L C 2.734 179.423 176.870 -0.302 0.000 1.123 183 L CA -0.075 54.377 54.840 -0.647 0.000 0.890 183 L CB -0.623 40.935 42.059 -0.834 0.000 1.103 183 L HN -0.113 nan 8.230 nan 0.000 0.468 184 R N 0.782 121.148 120.500 -0.224 0.000 2.133 184 R HA -0.248 4.087 4.340 -0.009 0.000 0.245 184 R C 1.380 177.478 176.300 -0.336 0.000 1.137 184 R CA 2.237 58.160 56.100 -0.295 0.000 0.947 184 R CB -0.254 29.821 30.300 -0.374 0.000 0.865 184 R HN 0.293 nan 8.270 nan 0.000 0.437 185 Y N -0.357 119.959 120.300 0.027 0.000 2.461 185 Y HA 0.321 4.865 4.550 -0.009 0.000 0.277 185 Y C 0.824 176.732 175.900 0.013 0.000 1.182 185 Y CA 0.495 58.621 58.100 0.044 0.000 1.276 185 Y CB 0.642 39.233 38.460 0.218 0.000 1.087 185 Y HN 0.472 nan 8.280 nan 0.000 0.519 186 G N 1.276 110.126 108.800 0.083 0.000 2.690 186 G HA2 -0.218 3.736 3.960 -0.009 0.000 0.686 186 G HA3 -0.218 3.736 3.960 -0.009 0.000 0.686 186 G C -1.208 173.777 174.900 0.143 0.000 1.277 186 G CA -0.832 44.295 45.100 0.046 0.000 0.799 186 G HN 0.257 nan 8.290 nan 0.000 0.613 187 N N 1.423 120.146 118.700 0.039 0.000 2.569 187 N HA 0.547 5.282 4.740 -0.009 0.000 0.254 187 N C -0.541 174.968 175.510 -0.001 0.000 1.004 187 N CA -1.917 51.164 53.050 0.051 0.000 0.904 187 N CB 2.029 40.485 38.487 -0.052 0.000 1.165 187 N HN 0.265 nan 8.380 nan 0.000 0.513 188 P HA -0.016 nan 4.420 nan 0.000 0.226 188 P C 0.663 177.640 177.300 -0.539 0.000 1.153 188 P CA 0.793 63.575 63.100 -0.530 0.000 0.777 188 P CB 0.135 31.207 31.700 -1.046 0.000 0.794 189 W N 2.021 123.320 121.300 -0.000 0.000 2.476 189 W HA 0.031 4.686 4.660 -0.009 0.000 0.281 189 W C 1.396 177.951 176.519 0.059 0.000 1.230 189 W CA -0.264 57.081 57.345 -0.000 0.000 1.287 189 W CB -0.406 29.055 29.460 0.001 0.000 1.108 189 W HN 0.025 nan 8.180 nan 0.000 0.567 190 E N 1.743 122.114 120.200 0.286 0.000 2.349 190 E HA 0.313 4.658 4.350 -0.009 0.000 0.262 190 E C -0.587 176.180 176.600 0.279 0.000 1.088 190 E CA -0.666 55.912 56.400 0.298 0.000 0.899 190 E CB 1.222 31.113 29.700 0.318 0.000 1.044 190 E HN -0.320 nan 8.360 nan 0.000 0.420 191 K N 1.290 121.867 120.400 0.295 0.000 2.579 191 K HA 0.414 4.729 4.320 -0.009 0.000 0.250 191 K C -1.298 175.327 176.600 0.042 0.000 0.952 191 K CA -0.441 55.956 56.287 0.183 0.000 0.857 191 K CB 1.602 34.219 32.500 0.196 0.000 1.123 191 K HN 0.671 nan 8.250 nan 0.000 0.433 192 A N 4.018 126.771 122.820 -0.111 0.000 2.477 192 A HA 0.393 4.708 4.320 -0.009 0.000 0.246 192 A C -0.246 177.178 177.584 -0.266 0.000 1.078 192 A CA -0.141 51.579 52.037 -0.527 0.000 0.770 192 A CB 0.238 18.902 19.000 -0.560 0.000 1.011 192 A HN 0.654 nan 8.150 nan 0.000 0.494 193 R N 3.094 123.444 120.500 -0.251 0.000 2.886 193 R HA 0.197 4.531 4.340 -0.009 0.000 0.306 193 R C -2.301 173.995 176.300 -0.007 0.000 1.300 193 R CA -1.710 54.378 56.100 -0.020 0.000 1.441 193 R CB 0.579 30.986 30.300 0.180 0.000 1.328 193 R HN 0.606 nan 8.270 nan 0.000 0.629 194 P HA -0.213 nan 4.420 nan 0.000 0.220 194 P C 0.846 178.116 177.300 -0.049 0.000 1.144 194 P CA 1.241 64.313 63.100 -0.046 0.000 0.800 194 P CB 0.380 32.044 31.700 -0.060 0.000 0.772 195 E N -0.304 119.806 120.200 -0.150 0.000 2.268 195 E HA -0.136 4.209 4.350 -0.009 0.000 0.195 195 E C 0.865 177.241 176.600 -0.374 0.000 0.995 195 E CA 0.855 57.069 56.400 -0.310 0.000 0.836 195 E CB -0.913 28.484 29.700 -0.506 0.000 0.763 195 E HN 0.293 nan 8.360 nan 0.000 0.491 196 F N 2.003 121.967 119.950 0.024 0.000 2.639 196 F HA 0.230 4.751 4.527 -0.009 0.000 0.300 196 F C 0.523 176.417 175.800 0.156 0.000 1.109 196 F CA -0.262 57.783 58.000 0.075 0.000 1.335 196 F CB 0.205 39.244 39.000 0.065 0.000 1.014 196 F HN -0.288 nan 8.300 nan 0.000 0.537 197 T N 2.685 117.379 114.554 0.234 0.000 2.934 197 T HA 0.242 4.587 4.350 -0.009 0.000 0.306 197 T C -0.208 174.592 174.700 0.166 0.000 1.042 197 T CA 0.404 62.641 62.100 0.228 0.000 1.145 197 T CB 0.547 69.498 68.868 0.137 0.000 0.982 197 T HN -0.163 nan 8.240 nan 0.000 0.544 198 L N 5.635 126.925 121.223 0.112 0.000 2.370 198 L HA 0.576 4.910 4.340 -0.009 0.000 0.266 198 L C -2.203 174.609 176.870 -0.097 0.000 1.002 198 L CA -2.412 52.415 54.840 -0.022 0.000 0.818 198 L CB 2.081 44.059 42.059 -0.135 0.000 1.325 198 L HN 0.389 nan 8.230 nan 0.000 0.418 199 P HA 0.398 nan 4.420 nan 0.000 0.288 199 P C -1.306 175.822 177.300 -0.287 0.000 1.267 199 P CA -0.423 62.569 63.100 -0.180 0.000 0.815 199 P CB 2.035 33.628 31.700 -0.178 0.000 0.989 200 V N 3.747 123.473 119.914 -0.312 0.000 2.656 200 V HA 0.335 4.450 4.120 -0.009 0.000 0.307 200 V C 0.175 175.993 176.094 -0.459 0.000 1.051 200 V CA -0.626 61.468 62.300 -0.343 0.000 0.893 200 V CB 1.576 33.261 31.823 -0.231 0.000 0.999 200 V HN 0.611 nan 8.190 nan 0.000 0.426 201 H N 3.647 122.530 119.070 -0.311 0.000 2.479 201 H HA 0.641 5.192 4.556 -0.009 0.000 0.335 201 H C -1.299 173.717 175.328 -0.520 0.000 1.142 201 H CA -0.178 55.607 56.048 -0.438 0.000 1.234 201 H CB 1.943 31.190 29.762 -0.859 0.000 1.503 201 H HN 0.480 nan 8.280 nan 0.000 0.510 202 F N 0.073 120.063 119.950 0.066 0.000 2.613 202 F HA 0.207 4.729 4.527 -0.009 0.000 0.314 202 F C -0.287 175.616 175.800 0.172 0.000 1.075 202 F CA -0.569 57.481 58.000 0.083 0.000 0.945 202 F CB 1.090 40.040 39.000 -0.084 0.000 1.310 202 F HN 0.539 nan 8.300 nan 0.000 0.467 203 Y N 0.232 120.841 120.300 0.514 0.000 2.904 203 Y HA -0.006 4.538 4.550 -0.009 0.000 0.466 203 Y C 1.347 177.508 175.900 0.435 0.000 1.202 203 Y CA 0.699 59.020 58.100 0.368 0.000 2.492 203 Y CB -1.899 36.707 38.460 0.243 0.000 1.237 203 Y HN 1.310 nan 8.280 nan 0.000 0.633 204 G N 0.633 109.718 108.800 0.476 0.000 2.593 204 G HA2 0.117 4.072 3.960 -0.009 0.000 0.237 204 G HA3 0.117 4.072 3.960 -0.009 0.000 0.237 204 G C -0.575 174.541 174.900 0.360 0.000 1.312 204 G CA 0.908 46.210 45.100 0.336 0.000 0.896 204 G HN 1.376 nan 8.290 nan 0.000 0.574 205 R N -2.519 118.187 120.500 0.343 0.000 2.733 205 R HA 0.697 5.032 4.340 -0.009 0.000 0.272 205 R C -1.304 175.122 176.300 0.211 0.000 1.029 205 R CA -0.976 55.262 56.100 0.230 0.000 0.888 205 R CB 1.256 31.640 30.300 0.140 0.000 1.251 205 R HN 0.889 nan 8.270 nan 0.000 0.464 206 V N 0.787 120.739 119.914 0.063 0.000 2.439 206 V HA 0.359 4.474 4.120 -0.009 0.000 0.282 206 V C -0.155 175.862 176.094 -0.129 0.000 1.039 206 V CA -0.476 61.786 62.300 -0.064 0.000 0.913 206 V CB 1.342 33.049 31.823 -0.192 0.000 0.983 206 V HN 0.710 nan 8.190 nan 0.000 0.460 207 E N 2.684 122.787 120.200 -0.162 0.000 2.176 207 E HA 0.389 4.733 4.350 -0.009 0.000 0.267 207 E C -1.113 175.355 176.600 -0.220 0.000 0.893 207 E CA -0.714 55.612 56.400 -0.123 0.000 0.761 207 E CB 0.903 30.586 29.700 -0.028 0.000 1.133 207 E HN 0.696 nan 8.360 nan 0.000 0.409 208 H N 2.841 121.926 119.070 0.024 0.000 2.641 208 H HA 0.173 4.724 4.556 -0.009 0.000 0.295 208 H C 0.245 175.582 175.328 0.015 0.000 1.070 208 H CA -0.167 55.891 56.048 0.016 0.000 1.257 208 H CB 0.861 30.628 29.762 0.008 0.000 1.393 208 H HN 0.557 nan 8.280 nan 0.000 0.464 209 T N -0.620 113.998 114.554 0.105 0.000 2.893 209 T HA 0.207 4.552 4.350 -0.009 0.000 0.279 209 T C 1.599 176.337 174.700 0.064 0.000 0.991 209 T CA -0.619 61.522 62.100 0.068 0.000 0.950 209 T CB 1.016 69.909 68.868 0.041 0.000 1.223 209 T HN 0.324 nan 8.240 nan 0.000 0.585 210 S N 0.243 115.969 115.700 0.043 0.000 2.369 210 S HA -0.129 4.336 4.470 -0.009 0.000 0.225 210 S C 0.903 175.525 174.600 0.036 0.000 1.043 210 S CA 1.442 59.662 58.200 0.034 0.000 1.074 210 S CB -0.503 62.713 63.200 0.026 0.000 0.962 210 S HN 0.734 nan 8.310 nan 0.000 0.433 211 Q N 0.197 120.018 119.800 0.036 0.000 2.462 211 Q HA 0.554 4.888 4.340 -0.009 0.000 0.247 211 Q C 0.052 176.078 176.000 0.043 0.000 1.044 211 Q CA 0.427 56.252 55.803 0.037 0.000 0.803 211 Q CB 0.811 29.566 28.738 0.029 0.000 1.190 211 Q HN 0.516 nan 8.270 nan 0.000 0.507 212 G N 1.591 110.426 108.800 0.058 0.000 2.781 212 G HA2 0.094 4.049 3.960 -0.009 0.000 0.683 212 G HA3 0.094 4.049 3.960 -0.009 0.000 0.683 212 G C -0.705 174.242 174.900 0.078 0.000 1.390 212 G CA -0.596 44.545 45.100 0.068 0.000 0.850 212 G HN 0.819 nan 8.290 nan 0.000 0.557 213 A N 0.529 123.389 122.820 0.068 0.000 2.279 213 A HA 0.864 5.179 4.320 -0.009 0.000 0.303 213 A C 0.384 177.941 177.584 -0.045 0.000 1.108 213 A CA 0.003 52.023 52.037 -0.028 0.000 0.830 213 A CB 0.968 19.916 19.000 -0.086 0.000 1.106 213 A HN 0.879 nan 8.150 nan 0.000 0.493 214 K N 0.237 120.593 120.400 -0.074 0.000 2.468 214 K HA 0.239 4.553 4.320 -0.009 0.000 0.252 214 K C -1.881 174.756 176.600 0.062 0.000 0.932 214 K CA -0.368 55.917 56.287 -0.003 0.000 0.794 214 K CB 2.208 34.708 32.500 -0.001 0.000 1.241 214 K HN 0.689 nan 8.250 nan 0.000 0.428 215 W N 5.266 126.487 121.300 -0.132 0.000 2.308 215 W HA 0.362 5.016 4.660 -0.009 0.000 0.311 215 W C -0.694 175.760 176.519 -0.108 0.000 1.088 215 W CA -0.824 56.448 57.345 -0.122 0.000 1.309 215 W CB 0.218 29.595 29.460 -0.139 0.000 1.229 215 W HN 0.360 nan 8.180 nan 0.000 0.427 216 V N 2.713 122.693 119.914 0.110 0.000 3.158 216 V HA 0.609 4.723 4.120 -0.009 0.000 0.315 216 V C -0.039 176.043 176.094 -0.021 0.000 1.148 216 V CA -0.891 61.391 62.300 -0.030 0.000 1.042 216 V CB 1.907 33.736 31.823 0.009 0.000 1.101 216 V HN 0.452 nan 8.190 nan 0.000 0.448 217 D N 0.251 120.636 120.400 -0.024 0.000 2.772 217 D HA -0.141 4.493 4.640 -0.009 0.000 0.233 217 D C 0.556 176.871 176.300 0.025 0.000 1.143 217 D CA 1.504 55.513 54.000 0.015 0.000 0.700 217 D CB -1.619 39.211 40.800 0.050 0.000 1.076 217 D HN 1.290 nan 8.370 nan 0.000 0.430 218 T N -2.861 111.658 114.554 -0.058 0.000 2.874 218 T HA 0.486 4.831 4.350 -0.009 0.000 0.281 218 T C 0.429 175.195 174.700 0.111 0.000 0.994 218 T CA -0.755 61.326 62.100 -0.033 0.000 1.015 218 T CB 2.069 70.731 68.868 -0.344 0.000 1.028 218 T HN 0.028 nan 8.240 nan 0.000 0.523 219 Q N 0.670 120.608 119.800 0.229 0.000 2.241 219 Q HA 0.569 4.903 4.340 -0.009 0.000 0.254 219 Q C -0.939 175.204 176.000 0.237 0.000 0.917 219 Q CA -0.898 55.072 55.803 0.277 0.000 0.919 219 Q CB 1.951 30.938 28.738 0.414 0.000 1.237 219 Q HN 0.513 nan 8.270 nan 0.000 0.434 220 V N 2.876 122.893 119.914 0.171 0.000 2.483 220 V HA 0.445 4.560 4.120 -0.009 0.000 0.295 220 V C -0.305 175.847 176.094 0.097 0.000 1.035 220 V CA -0.662 61.652 62.300 0.025 0.000 0.896 220 V CB 1.781 33.559 31.823 -0.073 0.000 0.986 220 V HN 0.487 nan 8.190 nan 0.000 0.447 221 V N 5.759 125.729 119.914 0.093 0.000 2.588 221 V HA 0.477 4.591 4.120 -0.009 0.000 0.304 221 V C -0.228 175.936 176.094 0.117 0.000 1.042 221 V CA -0.583 61.786 62.300 0.115 0.000 0.877 221 V CB 1.925 33.895 31.823 0.245 0.000 0.996 221 V HN 0.645 nan 8.190 nan 0.000 0.425 222 L N 3.586 124.870 121.223 0.101 0.000 2.375 222 L HA 0.753 5.088 4.340 -0.009 0.000 0.271 222 L C 0.472 177.503 176.870 0.268 0.000 1.107 222 L CA -0.340 54.571 54.840 0.119 0.000 0.806 222 L CB 1.339 43.451 42.059 0.087 0.000 1.146 222 L HN 0.753 nan 8.230 nan 0.000 0.447 223 A N 4.889 127.820 122.820 0.184 0.000 2.267 223 A HA 0.579 4.894 4.320 -0.009 0.000 0.315 223 A C -0.503 177.351 177.584 0.451 0.000 1.297 223 A CA -0.469 51.720 52.037 0.253 0.000 0.865 223 A CB 0.930 19.638 19.000 -0.486 0.000 1.165 223 A HN 0.782 nan 8.150 nan 0.000 0.513 224 M N 6.216 126.135 119.600 0.532 0.000 2.129 224 M HA 0.443 4.918 4.480 -0.009 0.000 0.348 224 M C -2.571 173.999 176.300 0.451 0.000 1.116 224 M CA -2.124 53.434 55.300 0.430 0.000 1.022 224 M CB 2.039 34.819 32.600 0.299 0.000 1.599 224 M HN 0.385 nan 8.290 nan 0.000 0.449 225 P HA 0.242 nan 4.420 nan 0.000 0.286 225 P C -1.963 175.278 177.300 -0.100 0.000 1.261 225 P CA -0.114 62.897 63.100 -0.149 0.000 0.821 225 P CB 0.717 32.099 31.700 -0.531 0.000 1.013 226 Y N 0.619 120.852 120.300 -0.112 0.000 2.338 226 Y HA 0.312 4.857 4.550 -0.009 0.000 0.333 226 Y C 0.186 176.067 175.900 -0.030 0.000 0.968 226 Y CA -0.288 57.805 58.100 -0.010 0.000 1.123 226 Y CB 1.400 39.886 38.460 0.045 0.000 1.165 226 Y HN 0.221 nan 8.280 nan 0.000 0.452 227 D N 1.926 122.421 120.400 0.157 0.000 2.168 227 D HA 0.435 5.070 4.640 -0.009 0.000 0.246 227 D C -0.596 175.915 176.300 0.351 0.000 1.050 227 D CA -0.191 53.938 54.000 0.216 0.000 0.857 227 D CB 1.767 42.716 40.800 0.249 0.000 1.169 227 D HN 0.369 nan 8.370 nan 0.000 0.453 228 T N 3.104 117.775 114.554 0.194 0.000 2.824 228 T HA 0.461 4.805 4.350 -0.009 0.000 0.282 228 T C -2.544 171.987 174.700 -0.282 0.000 0.993 228 T CA -1.424 60.691 62.100 0.025 0.000 0.967 228 T CB 2.140 71.020 68.868 0.020 0.000 0.960 228 T HN 0.181 nan 8.240 nan 0.000 0.441 229 P HA 0.323 nan 4.420 nan 0.000 0.275 229 P C -1.025 175.937 177.300 -0.563 0.000 1.227 229 P CA -0.393 62.023 63.100 -1.141 0.000 0.781 229 P CB 0.895 31.679 31.700 -1.527 0.000 0.906 230 V N 5.025 124.667 119.914 -0.453 0.000 2.340 230 V HA 0.261 4.375 4.120 -0.009 0.000 0.277 230 V C -2.036 173.918 176.094 -0.232 0.000 1.017 230 V CA -1.878 60.253 62.300 -0.281 0.000 0.820 230 V CB 1.410 33.113 31.823 -0.200 0.000 1.028 230 V HN 0.556 nan 8.190 nan 0.000 0.436 231 P HA 0.277 nan 4.420 nan 0.000 0.280 231 P C 0.319 177.565 177.300 -0.090 0.000 1.244 231 P CA 0.305 63.313 63.100 -0.153 0.000 0.784 231 P CB 1.826 33.433 31.700 -0.155 0.000 0.913 232 G N 2.299 111.064 108.800 -0.058 0.000 2.562 232 G HA2 0.155 4.109 3.960 -0.009 0.000 0.275 232 G HA3 0.155 4.109 3.960 -0.009 0.000 0.275 232 G C -1.202 173.710 174.900 0.020 0.000 1.196 232 G CA -0.639 44.457 45.100 -0.007 0.000 0.908 232 G HN 0.524 nan 8.290 nan 0.000 0.524 233 Y N 0.477 120.737 120.300 -0.066 0.000 2.624 233 Y HA 0.271 4.815 4.550 -0.009 0.000 0.354 233 Y C 1.198 177.060 175.900 -0.064 0.000 1.051 233 Y CA -0.238 57.819 58.100 -0.071 0.000 1.377 233 Y CB 0.098 38.514 38.460 -0.073 0.000 1.168 233 Y HN 0.695 nan 8.280 nan 0.000 0.525 234 R N 2.845 123.049 120.500 -0.494 0.000 3.502 234 R HA -0.317 4.017 4.340 -0.009 0.000 0.266 234 R C -0.008 176.157 176.300 -0.224 0.000 1.077 234 R CA 1.467 57.304 56.100 -0.438 0.000 0.718 234 R CB -1.872 28.007 30.300 -0.702 0.000 1.120 234 R HN 0.943 nan 8.270 nan 0.000 0.457 235 N N -1.383 117.237 118.700 -0.134 0.000 2.170 235 N HA 0.066 4.801 4.740 -0.009 0.000 0.222 235 N C -0.243 175.222 175.510 -0.076 0.000 1.218 235 N CA -0.399 52.603 53.050 -0.080 0.000 0.889 235 N CB 0.527 38.993 38.487 -0.035 0.000 1.083 235 N HN 0.086 nan 8.380 nan 0.000 0.520 236 N N -0.069 118.581 118.700 -0.084 0.000 2.753 236 N HA -0.134 4.601 4.740 -0.009 0.000 0.251 236 N C -0.932 174.537 175.510 -0.067 0.000 1.097 236 N CA 0.583 53.591 53.050 -0.070 0.000 0.786 236 N CB -1.256 37.191 38.487 -0.068 0.000 1.137 236 N HN 0.191 nan 8.380 nan 0.000 0.566 237 V N 1.109 120.986 119.914 -0.060 0.000 2.509 237 V HA 0.454 4.568 4.120 -0.009 0.000 0.284 237 V C 0.592 176.656 176.094 -0.051 0.000 1.047 237 V CA -0.476 61.794 62.300 -0.049 0.000 0.952 237 V CB 2.183 34.002 31.823 -0.007 0.000 0.988 237 V HN -0.037 nan 8.190 nan 0.000 0.469 238 V N 5.304 125.192 119.914 -0.043 0.000 2.462 238 V HA 0.427 4.541 4.120 -0.009 0.000 0.288 238 V C -0.129 175.948 176.094 -0.028 0.000 1.020 238 V CA -0.864 61.382 62.300 -0.091 0.000 0.857 238 V CB 1.439 33.191 31.823 -0.119 0.000 1.013 238 V HN 0.845 nan 8.190 nan 0.000 0.431 239 N N 1.936 120.592 118.700 -0.074 0.000 2.418 239 N HA 0.570 5.305 4.740 -0.009 0.000 0.283 239 N C -0.024 175.458 175.510 -0.046 0.000 1.267 239 N CA -0.281 52.746 53.050 -0.038 0.000 0.975 239 N CB 1.121 39.544 38.487 -0.108 0.000 1.167 239 N HN 0.577 nan 8.380 nan 0.000 0.581 240 T N 0.692 115.229 114.554 -0.028 0.000 2.841 240 T HA 0.432 4.776 4.350 -0.009 0.000 0.283 240 T C -0.343 174.313 174.700 -0.073 0.000 1.000 240 T CA -0.523 61.623 62.100 0.077 0.000 0.977 240 T CB 1.210 70.255 68.868 0.295 0.000 0.979 240 T HN 0.323 nan 8.240 nan 0.000 0.446 241 M N 3.639 123.164 119.600 -0.125 0.000 2.114 241 M HA 0.524 4.999 4.480 -0.009 0.000 0.332 241 M C -0.607 175.542 176.300 -0.252 0.000 1.014 241 M CA -0.745 54.392 55.300 -0.273 0.000 0.956 241 M CB 0.837 33.225 32.600 -0.353 0.000 1.551 241 M HN 0.488 nan 8.290 nan 0.000 0.427 242 R N 5.801 126.053 120.500 -0.413 0.000 2.295 242 R HA 0.637 4.972 4.340 -0.009 0.000 0.324 242 R C -1.939 174.112 176.300 -0.417 0.000 0.968 242 R CA -0.426 55.399 56.100 -0.457 0.000 0.837 242 R CB 0.913 30.782 30.300 -0.718 0.000 1.133 242 R HN 0.823 nan 8.270 nan 0.000 0.450 243 L N 5.119 126.184 121.223 -0.264 0.000 2.322 243 L HA 0.500 4.835 4.340 -0.009 0.000 0.281 243 L C -0.825 176.003 176.870 -0.071 0.000 1.014 243 L CA -0.927 53.850 54.840 -0.105 0.000 0.815 243 L CB 1.460 43.538 42.059 0.031 0.000 1.247 243 L HN 0.591 nan 8.230 nan 0.000 0.421 244 W N 1.791 123.212 121.300 0.201 0.000 2.316 244 W HA 0.496 5.150 4.660 -0.009 0.000 0.321 244 W C 0.545 177.282 176.519 0.364 0.000 1.203 244 W CA -0.210 57.274 57.345 0.231 0.000 1.214 244 W CB 1.415 30.868 29.460 -0.011 0.000 1.169 244 W HN 0.337 nan 8.180 nan 0.000 0.561 245 S N 1.675 117.779 115.700 0.674 0.000 2.500 245 S HA 0.771 5.235 4.470 -0.009 0.000 0.301 245 S C -0.527 174.406 174.600 0.555 0.000 1.092 245 S CA -0.732 57.767 58.200 0.498 0.000 1.030 245 S CB 0.649 64.085 63.200 0.393 0.000 1.031 245 S HN 0.550 nan 8.310 nan 0.000 0.483 246 A N 4.801 127.791 122.820 0.284 0.000 2.366 246 A HA 0.656 4.970 4.320 -0.009 0.000 0.272 246 A C -0.119 177.521 177.584 0.094 0.000 1.135 246 A CA -0.250 51.846 52.037 0.099 0.000 0.804 246 A CB 0.342 19.130 19.000 -0.353 0.000 1.064 246 A HN 0.656 nan 8.150 nan 0.000 0.499 247 K N 1.066 121.529 120.400 0.105 0.000 2.468 247 K HA 0.609 4.924 4.320 -0.009 0.000 0.252 247 K C -0.557 176.016 176.600 -0.044 0.000 0.932 247 K CA -0.402 55.911 56.287 0.044 0.000 0.794 247 K CB 2.250 34.810 32.500 0.101 0.000 1.241 247 K HN 0.837 nan 8.250 nan 0.000 0.428 248 A N 4.270 127.005 122.820 -0.141 0.000 2.340 248 A HA 0.514 4.829 4.320 -0.009 0.000 0.268 248 A C -2.133 175.391 177.584 -0.099 0.000 1.100 248 A CA -1.150 50.708 52.037 -0.299 0.000 0.803 248 A CB -0.150 18.510 19.000 -0.566 0.000 1.043 248 A HN 0.368 nan 8.150 nan 0.000 0.488 249 P HA 0.093 nan 4.420 nan 0.000 0.272 249 P C -0.025 177.350 177.300 0.125 0.000 1.230 249 P CA -0.405 62.740 63.100 0.075 0.000 0.788 249 P CB 0.614 32.383 31.700 0.116 0.000 0.949 250 N N 0.933 119.695 118.700 0.103 0.000 2.459 250 N HA -0.098 4.636 4.740 -0.009 0.000 0.181 250 N C 0.863 176.453 175.510 0.132 0.000 1.046 250 N CA 0.944 54.060 53.050 0.110 0.000 0.904 250 N CB -0.275 38.260 38.487 0.080 0.000 0.964 250 N HN 0.587 nan 8.380 nan 0.000 0.444 251 D N -0.749 119.733 120.400 0.137 0.000 2.340 251 D HA -0.069 4.565 4.640 -0.009 0.000 0.217 251 D C 0.272 176.654 176.300 0.137 0.000 1.081 251 D CA -0.576 53.493 54.000 0.115 0.000 0.842 251 D CB -0.681 40.169 40.800 0.084 0.000 0.934 251 D HN -0.025 nan 8.370 nan 0.000 0.511 252 F N 2.299 122.267 119.950 0.031 0.000 2.623 252 F HA 0.019 4.541 4.527 -0.009 0.000 0.383 252 F C 0.974 176.785 175.800 0.019 0.000 1.077 252 F CA 0.359 58.375 58.000 0.026 0.000 1.268 252 F CB -0.020 38.994 39.000 0.025 0.000 1.053 252 F HN -0.114 nan 8.300 nan 0.000 0.571 253 N N 2.012 120.313 118.700 -0.664 0.000 2.765 253 N HA -0.284 4.450 4.740 -0.009 0.000 0.248 253 N C -0.780 174.626 175.510 -0.173 0.000 1.063 253 N CA 1.492 54.255 53.050 -0.479 0.000 0.862 253 N CB -1.025 37.169 38.487 -0.489 0.000 1.145 253 N HN 0.514 nan 8.380 nan 0.000 0.581 262 Y N 0.515 120.815 120.300 0.000 0.000 2.097 262 Y HA -0.109 4.435 4.550 -0.009 0.000 0.282 262 Y C 2.608 178.516 175.900 0.013 0.000 1.152 262 Y CA 2.263 60.367 58.100 0.006 0.000 1.136 262 Y CB -0.044 38.420 38.460 0.007 0.000 0.975 262 Y HN 0.286 nan 8.280 nan 0.000 0.498 263 I N 0.534 121.032 120.570 -0.120 0.000 2.163 263 I HA -0.323 3.841 4.170 -0.009 0.000 0.243 263 I C 2.397 178.409 176.117 -0.176 0.000 1.085 263 I CA 1.550 62.725 61.300 -0.208 0.000 1.347 263 I CB -1.415 36.571 38.000 -0.024 0.000 1.044 263 I HN 0.388 nan 8.210 nan 0.000 0.408 264 Q N 0.477 120.224 119.800 -0.089 0.000 2.084 264 Q HA -0.129 4.205 4.340 -0.009 0.000 0.202 264 Q C 2.392 178.349 176.000 -0.072 0.000 0.978 264 Q CA 1.898 57.665 55.803 -0.060 0.000 0.844 264 Q CB -0.352 28.368 28.738 -0.030 0.000 0.898 264 Q HN 0.554 nan 8.270 nan 0.000 0.426 265 A N -0.031 122.729 122.820 -0.100 0.000 1.908 265 A HA -0.140 4.174 4.320 -0.009 0.000 0.218 265 A C 2.398 179.942 177.584 -0.066 0.000 1.181 265 A CA 1.674 53.658 52.037 -0.087 0.000 0.627 265 A CB -0.625 18.326 19.000 -0.082 0.000 0.818 265 A HN 0.230 nan 8.150 nan 0.000 0.445 266 V N 0.107 119.911 119.914 -0.183 0.000 2.358 266 V HA -0.214 3.900 4.120 -0.009 0.000 0.246 266 V C 2.517 178.585 176.094 -0.044 0.000 1.047 266 V CA 1.778 63.994 62.300 -0.140 0.000 1.035 266 V CB -0.715 30.927 31.823 -0.301 0.000 0.658 266 V HN 0.566 nan 8.190 nan 0.000 0.452 267 L N -0.241 120.949 121.223 -0.055 0.000 2.141 267 L HA -0.143 4.192 4.340 -0.009 0.000 0.209 267 L C 1.993 178.883 176.870 0.034 0.000 1.094 267 L CA 1.244 56.076 54.840 -0.012 0.000 0.763 267 L CB -0.696 41.350 42.059 -0.020 0.000 0.908 267 L HN 0.321 nan 8.230 nan 0.000 0.437 268 D N 0.099 120.535 120.400 0.061 0.000 2.392 268 D HA -0.081 4.553 4.640 -0.009 0.000 0.228 268 D C 2.089 178.547 176.300 0.264 0.000 1.003 268 D CA 0.470 54.548 54.000 0.130 0.000 0.917 268 D CB -0.019 40.842 40.800 0.102 0.000 0.890 268 D HN 0.243 nan 8.370 nan 0.000 0.532 269 R N 0.160 120.785 120.500 0.208 0.000 2.193 269 R HA -0.039 4.295 4.340 -0.009 0.000 0.229 269 R C 1.673 177.946 176.300 -0.045 0.000 1.110 269 R CA 0.791 56.942 56.100 0.085 0.000 0.988 269 R CB -0.213 30.107 30.300 0.033 0.000 0.871 269 R HN 0.344 nan 8.270 nan 0.000 0.458 270 N N 0.351 119.061 118.700 0.018 0.000 2.205 270 N HA -0.180 4.555 4.740 -0.009 0.000 0.186 270 N C 1.231 176.737 175.510 -0.006 0.000 1.015 270 N CA 0.628 53.679 53.050 0.003 0.000 0.862 270 N CB -0.088 38.413 38.487 0.024 0.000 0.986 270 N HN 0.013 nan 8.380 nan 0.000 0.429 271 L N 1.130 122.374 121.223 0.034 0.000 2.013 271 L HA -0.186 4.149 4.340 -0.009 0.000 0.212 271 L C 2.415 179.266 176.870 -0.032 0.000 1.073 271 L CA 1.572 56.438 54.840 0.043 0.000 0.753 271 L CB -0.930 41.213 42.059 0.140 0.000 0.890 271 L HN 0.186 nan 8.230 nan 0.000 0.432 272 A N -1.166 121.570 122.820 -0.141 0.000 1.930 272 A HA -0.119 4.196 4.320 -0.009 0.000 0.215 272 A C 2.083 179.543 177.584 -0.206 0.000 1.176 272 A CA 1.072 52.964 52.037 -0.241 0.000 0.632 272 A CB -0.374 18.297 19.000 -0.547 0.000 0.819 272 A HN 0.523 nan 8.150 nan 0.000 0.445 273 E N 0.212 120.313 120.200 -0.164 0.000 2.427 273 E HA -0.065 4.280 4.350 -0.009 0.000 0.196 273 E C 0.853 177.415 176.600 -0.064 0.000 1.028 273 E CA 0.154 56.490 56.400 -0.107 0.000 0.864 273 E CB -0.148 29.515 29.700 -0.061 0.000 0.813 273 E HN 0.436 nan 8.360 nan 0.000 0.514 274 N N 1.110 119.779 118.700 -0.051 0.000 2.453 274 N HA -0.069 4.665 4.740 -0.009 0.000 0.183 274 N C 1.624 177.130 175.510 -0.008 0.000 1.041 274 N CA 0.558 53.607 53.050 -0.002 0.000 0.900 274 N CB -0.021 38.470 38.487 0.007 0.000 0.961 274 N HN 0.275 nan 8.380 nan 0.000 0.443 275 I N 0.341 120.845 120.570 -0.110 0.000 2.208 275 I HA -0.247 3.918 4.170 -0.009 0.000 0.245 275 I C 1.433 177.516 176.117 -0.056 0.000 1.097 275 I CA 1.253 62.457 61.300 -0.159 0.000 1.363 275 I CB -0.219 37.509 38.000 -0.454 0.000 1.051 275 I HN 0.127 nan 8.210 nan 0.000 0.413 276 S N -0.419 115.245 115.700 -0.060 0.000 2.583 276 S HA 0.184 4.649 4.470 -0.009 0.000 0.239 276 S C 1.456 176.194 174.600 0.230 0.000 0.966 276 S CA -0.534 57.724 58.200 0.097 0.000 0.973 276 S CB 0.252 63.496 63.200 0.073 0.000 0.794 276 S HN 0.211 nan 8.310 nan 0.000 0.463 277 R N 1.220 121.855 120.500 0.225 0.000 2.062 277 R HA 0.287 4.622 4.340 -0.009 0.000 0.229 277 R C 0.424 176.975 176.300 0.418 0.000 1.128 277 R CA 1.148 57.424 56.100 0.294 0.000 0.960 277 R CB -0.215 30.216 30.300 0.218 0.000 0.855 277 R HN 0.402 nan 8.270 nan 0.000 0.432 278 V N 0.206 120.320 119.914 0.334 0.000 3.012 278 V HA 0.372 4.487 4.120 -0.009 0.000 0.307 278 V C -1.641 174.428 176.094 -0.042 0.000 1.166 278 V CA -1.382 61.043 62.300 0.208 0.000 0.974 278 V CB 1.797 33.668 31.823 0.081 0.000 1.040 278 V HN 0.145 nan 8.190 nan 0.000 0.428 279 L N 6.269 127.246 121.223 -0.410 0.000 2.367 279 L HA 0.494 4.829 4.340 -0.009 0.000 0.275 279 L C -0.884 175.830 176.870 -0.260 0.000 1.129 279 L CA 0.400 54.786 54.840 -0.755 0.000 0.839 279 L CB 0.582 42.105 42.059 -0.893 0.000 1.133 279 L HN 0.684 nan 8.230 nan 0.000 0.453 280 Y N 6.804 127.014 120.300 -0.149 0.000 2.465 280 Y HA 0.209 4.753 4.550 -0.009 0.000 0.331 280 Y C -1.327 174.568 175.900 -0.009 0.000 1.102 280 Y CA -1.284 56.803 58.100 -0.020 0.000 1.358 280 Y CB 0.425 38.899 38.460 0.023 0.000 1.213 280 Y HN 0.576 nan 8.280 nan 0.000 0.525 281 P HA -0.025 nan 4.420 nan 0.000 0.258 281 P C -0.756 176.675 177.300 0.218 0.000 1.403 281 P CA 0.283 63.488 63.100 0.174 0.000 0.826 281 P CB 0.165 32.057 31.700 0.321 0.000 1.414 282 N N 1.284 120.125 118.700 0.234 0.000 2.518 282 N HA 0.184 4.918 4.740 -0.009 0.000 0.283 282 N C -0.660 174.995 175.510 0.242 0.000 1.119 282 N CA 0.217 53.425 53.050 0.264 0.000 0.983 282 N CB 1.087 39.770 38.487 0.327 0.000 1.139 282 N HN 0.065 nan 8.380 nan 0.000 0.465 283 D N 0.341 120.910 120.400 0.282 0.000 2.593 283 D HA 0.226 4.861 4.640 -0.009 0.000 0.251 283 D C -0.572 175.938 176.300 0.349 0.000 1.140 283 D CA -0.407 53.756 54.000 0.273 0.000 0.855 283 D CB 0.370 41.324 40.800 0.257 0.000 1.267 283 D HN 0.315 nan 8.370 nan 0.000 0.532 284 N N 2.868 121.741 118.700 0.289 0.000 2.725 284 N HA -0.244 4.490 4.740 -0.009 0.000 0.251 284 N C -1.395 174.351 175.510 0.394 0.000 1.031 284 N CA 0.824 54.037 53.050 0.272 0.000 0.720 284 N CB -0.809 37.805 38.487 0.211 0.000 0.930 284 N HN 0.403 nan 8.380 nan 0.000 0.543 285 F N 0.596 120.646 119.950 0.167 0.000 2.670 285 F HA 0.372 4.893 4.527 -0.009 0.000 0.332 285 F C -1.296 174.582 175.800 0.130 0.000 1.179 285 F CA -1.074 56.998 58.000 0.121 0.000 1.076 285 F CB 0.767 39.791 39.000 0.040 0.000 1.322 285 F HN -0.015 nan 8.300 nan 0.000 0.515 286 F N 6.088 125.597 119.950 -0.734 0.000 2.411 286 F HA 0.461 4.982 4.527 -0.009 0.000 0.350 286 F C -0.345 175.016 175.800 -0.732 0.000 1.114 286 F CA -0.102 57.540 58.000 -0.597 0.000 1.135 286 F CB 0.720 39.416 39.000 -0.506 0.000 1.120 286 F HN 0.606 nan 8.300 nan 0.000 0.495 287 E N 4.497 124.065 120.200 -1.053 0.000 2.186 287 E HA 0.304 4.648 4.350 -0.009 0.000 0.255 287 E C -0.163 175.696 176.600 -1.234 0.000 0.881 287 E CA -0.742 55.148 56.400 -0.849 0.000 0.752 287 E CB 1.207 30.787 29.700 -0.200 0.000 1.176 287 E HN 0.906 nan 8.360 nan 0.000 0.421 288 G N 5.358 113.322 108.800 -1.394 0.000 3.197 288 G HA2 0.026 3.980 3.960 -0.009 0.000 0.257 288 G HA3 0.026 3.980 3.960 -0.009 0.000 0.257 288 G C -0.058 174.750 174.900 -0.154 0.000 0.835 288 G CA -0.217 44.279 45.100 -1.007 0.000 2.001 288 G HN 0.210 nan 8.290 nan 0.000 0.625 289 K N 0.508 120.884 120.400 -0.040 0.000 2.130 289 K HA 0.182 4.497 4.320 -0.009 0.000 0.268 289 K C 0.989 177.725 176.600 0.228 0.000 0.983 289 K CA -0.638 55.719 56.287 0.117 0.000 0.893 289 K CB 2.199 34.767 32.500 0.114 0.000 1.066 289 K HN 0.444 nan 8.250 nan 0.000 0.450 290 E N 1.660 121.966 120.200 0.177 0.000 2.085 290 E HA -0.222 4.123 4.350 -0.009 0.000 0.194 290 E C 1.533 178.166 176.600 0.055 0.000 0.994 290 E CA 1.099 57.561 56.400 0.103 0.000 0.801 290 E CB 0.157 29.919 29.700 0.103 0.000 0.743 290 E HN 0.393 nan 8.360 nan 0.000 0.453 291 L N 1.308 122.602 121.223 0.118 0.000 2.079 291 L HA -0.180 4.154 4.340 -0.009 0.000 0.210 291 L C 2.450 179.399 176.870 0.131 0.000 1.081 291 L CA 1.814 56.738 54.840 0.139 0.000 0.752 291 L CB -0.528 41.690 42.059 0.265 0.000 0.896 291 L HN 0.014 nan 8.230 nan 0.000 0.433 292 R N -0.625 119.889 120.500 0.023 0.000 2.096 292 R HA -0.158 4.177 4.340 -0.009 0.000 0.235 292 R C 2.100 178.427 176.300 0.046 0.000 1.127 292 R CA 1.823 57.858 56.100 -0.108 0.000 0.968 292 R CB -0.993 29.043 30.300 -0.439 0.000 0.861 292 R HN 0.413 nan 8.270 nan 0.000 0.440 293 L N 0.824 121.999 121.223 -0.080 0.000 2.093 293 L HA -0.056 4.279 4.340 -0.009 0.000 0.208 293 L C 1.672 178.479 176.870 -0.105 0.000 1.085 293 L CA 1.879 56.467 54.840 -0.421 0.000 0.755 293 L CB -0.380 41.160 42.059 -0.865 0.000 0.904 293 L HN 0.148 nan 8.230 nan 0.000 0.435 294 K N -0.954 119.432 120.400 -0.023 0.000 2.057 294 K HA -0.186 4.129 4.320 -0.009 0.000 0.207 294 K C 2.069 178.822 176.600 0.254 0.000 1.049 294 K CA 1.737 58.077 56.287 0.088 0.000 0.931 294 K CB -0.179 32.193 32.500 -0.214 0.000 0.714 294 K HN 0.519 nan 8.250 nan 0.000 0.440 295 Q N 0.705 120.620 119.800 0.191 0.000 2.084 295 Q HA -0.188 4.147 4.340 -0.009 0.000 0.202 295 Q C 1.960 178.149 176.000 0.314 0.000 0.978 295 Q CA 1.433 57.406 55.803 0.283 0.000 0.844 295 Q CB -0.052 28.872 28.738 0.309 0.000 0.898 295 Q HN 0.387 nan 8.270 nan 0.000 0.426 296 E N -0.114 120.223 120.200 0.230 0.000 2.077 296 E HA -0.215 4.129 4.350 -0.009 0.000 0.193 296 E C 1.733 178.443 176.600 0.184 0.000 0.989 296 E CA 1.084 57.604 56.400 0.200 0.000 0.800 296 E CB -0.137 29.657 29.700 0.156 0.000 0.746 296 E HN 0.329 nan 8.360 nan 0.000 0.452 297 Y N 0.246 120.588 120.300 0.070 0.000 2.314 297 Y HA -0.168 4.376 4.550 -0.009 0.000 0.293 297 Y C 1.909 177.837 175.900 0.047 0.000 1.129 297 Y CA 0.798 58.893 58.100 -0.008 0.000 1.201 297 Y CB -0.291 38.127 38.460 -0.070 0.000 0.999 297 Y HN 0.007 nan 8.280 nan 0.000 0.541 298 F N -0.307 119.622 119.950 -0.035 0.000 2.069 298 F HA -0.229 4.292 4.527 -0.009 0.000 0.298 298 F C 2.474 178.115 175.800 -0.266 0.000 1.113 298 F CA 1.989 59.918 58.000 -0.117 0.000 1.214 298 F CB -1.059 38.026 39.000 0.142 0.000 0.978 298 F HN -0.066 nan 8.300 nan 0.000 0.474 299 V N -0.443 119.423 119.914 -0.081 0.000 2.427 299 V HA -0.202 3.913 4.120 -0.009 0.000 0.248 299 V C 2.181 178.116 176.094 -0.265 0.000 1.051 299 V CA 1.988 64.204 62.300 -0.139 0.000 1.048 299 V CB -0.400 31.534 31.823 0.185 0.000 0.666 299 V HN 0.253 nan 8.190 nan 0.000 0.456 300 V N 0.433 120.204 119.914 -0.238 0.000 2.358 300 V HA -0.158 3.957 4.120 -0.009 0.000 0.246 300 V C 2.805 178.641 176.094 -0.430 0.000 1.047 300 V CA 2.056 64.204 62.300 -0.253 0.000 1.035 300 V CB -1.052 30.692 31.823 -0.131 0.000 0.658 300 V HN 0.646 nan 8.190 nan 0.000 0.452 301 A N -0.092 122.301 122.820 -0.712 0.000 1.873 301 A HA -0.085 4.230 4.320 -0.009 0.000 0.215 301 A C 2.409 179.607 177.584 -0.643 0.000 1.186 301 A CA 2.049 53.655 52.037 -0.718 0.000 0.616 301 A CB -0.807 17.538 19.000 -1.092 0.000 0.823 301 A HN 0.550 nan 8.150 nan 0.000 0.442 302 A N -1.035 121.232 122.820 -0.922 0.000 1.898 302 A HA -0.063 4.252 4.320 -0.009 0.000 0.216 302 A C 2.314 179.373 177.584 -0.874 0.000 1.181 302 A CA 2.279 53.579 52.037 -1.228 0.000 0.620 302 A CB -1.296 16.280 19.000 -2.373 0.000 0.819 302 A HN 0.426 nan 8.150 nan 0.000 0.442 303 T N 0.566 114.735 114.554 -0.641 0.000 2.708 303 T HA -0.110 4.235 4.350 -0.009 0.000 0.266 303 T C 1.822 176.244 174.700 -0.463 0.000 1.037 303 T CA 1.497 63.332 62.100 -0.440 0.000 1.146 303 T CB -0.407 68.204 68.868 -0.427 0.000 0.865 303 T HN 0.345 nan 8.240 nan 0.000 0.435 304 L N 0.725 121.729 121.223 -0.365 0.000 2.083 304 L HA -0.161 4.173 4.340 -0.009 0.000 0.209 304 L C 2.899 179.656 176.870 -0.188 0.000 1.083 304 L CA 1.386 56.070 54.840 -0.260 0.000 0.752 304 L CB -0.549 41.398 42.059 -0.185 0.000 0.899 304 L HN 0.376 nan 8.230 nan 0.000 0.433 305 Q N -0.601 119.083 119.800 -0.193 0.000 2.119 305 Q HA -0.237 4.098 4.340 -0.009 0.000 0.201 305 Q C 1.744 177.717 176.000 -0.045 0.000 0.972 305 Q CA 1.598 57.341 55.803 -0.101 0.000 0.847 305 Q CB -0.103 28.561 28.738 -0.122 0.000 0.903 305 Q HN 0.390 nan 8.270 nan 0.000 0.433 306 D N 0.662 121.023 120.400 -0.065 0.000 2.117 306 D HA -0.098 4.536 4.640 -0.009 0.000 0.198 306 D C 1.670 177.931 176.300 -0.066 0.000 0.982 306 D CA 0.869 54.884 54.000 0.025 0.000 0.828 306 D CB -0.009 40.900 40.800 0.182 0.000 0.967 306 D HN 0.159 nan 8.370 nan 0.000 0.464 307 I N 0.181 120.607 120.570 -0.240 0.000 2.179 307 I HA -0.233 3.932 4.170 -0.009 0.000 0.242 307 I C 2.296 178.438 176.117 0.043 0.000 1.088 307 I CA 0.752 61.861 61.300 -0.318 0.000 1.357 307 I CB -0.140 37.519 38.000 -0.569 0.000 1.051 307 I HN 0.052 nan 8.210 nan 0.000 0.409 308 I N 0.272 120.918 120.570 0.126 0.000 2.315 308 I HA -0.276 3.888 4.170 -0.009 0.000 0.248 308 I C 2.761 179.050 176.117 0.288 0.000 1.117 308 I CA 1.106 62.597 61.300 0.318 0.000 1.404 308 I CB -0.417 37.718 38.000 0.225 0.000 1.071 308 I HN 0.206 nan 8.210 nan 0.000 0.419 309 R N 1.328 121.926 120.500 0.164 0.000 2.073 309 R HA -0.205 4.130 4.340 -0.009 0.000 0.234 309 R C 2.504 178.887 176.300 0.138 0.000 1.134 309 R CA 1.619 57.803 56.100 0.139 0.000 0.952 309 R CB -0.233 30.136 30.300 0.114 0.000 0.850 309 R HN 0.186 nan 8.270 nan 0.000 0.433 310 R N -0.610 119.970 120.500 0.134 0.000 2.115 310 R HA -0.151 4.184 4.340 -0.009 0.000 0.230 310 R C 2.079 178.487 176.300 0.180 0.000 1.111 310 R CA 1.493 57.674 56.100 0.135 0.000 0.976 310 R CB -0.347 30.017 30.300 0.107 0.000 0.870 310 R HN 0.289 nan 8.270 nan 0.000 0.445 311 F N 1.584 121.585 119.950 0.086 0.000 2.102 311 F HA -0.108 4.413 4.527 -0.009 0.000 0.298 311 F C 1.614 177.439 175.800 0.042 0.000 1.105 311 F CA 1.591 59.638 58.000 0.078 0.000 1.239 311 F CB -0.040 39.066 39.000 0.176 0.000 0.991 311 F HN -0.131 nan 8.300 nan 0.000 0.474 312 K N -0.362 119.978 120.400 -0.099 0.000 2.211 312 K HA -0.022 4.292 4.320 -0.009 0.000 0.203 312 K C 1.341 177.848 176.600 -0.155 0.000 1.050 312 K CA 1.192 57.340 56.287 -0.233 0.000 0.945 312 K CB -0.259 32.224 32.500 -0.030 0.000 0.732 312 K HN 0.114 nan 8.250 nan 0.000 0.451 313 S N 1.162 116.839 115.700 -0.039 0.000 2.677 313 S HA 0.138 4.602 4.470 -0.009 0.000 0.246 313 S C -0.085 174.554 174.600 0.066 0.000 1.005 313 S CA -0.331 57.891 58.200 0.037 0.000 1.062 313 S CB 0.287 63.547 63.200 0.101 0.000 0.778 313 S HN 0.095 nan 8.310 nan 0.000 0.461 325 N N 0.910 119.531 118.700 -0.132 0.000 3.105 325 N HA 0.280 5.014 4.740 -0.009 0.000 0.256 325 N C -0.108 175.471 175.510 0.114 0.000 1.174 325 N CA -0.154 52.910 53.050 0.022 0.000 1.030 325 N CB 0.032 38.539 38.487 0.033 0.000 1.305 325 N HN 0.075 nan 8.380 nan 0.000 0.509 326 F N 0.946 121.032 119.950 0.227 0.000 2.699 326 F HA 0.009 4.530 4.527 -0.009 0.000 0.298 326 F C 1.414 177.283 175.800 0.116 0.000 1.154 326 F CA 0.395 58.484 58.000 0.150 0.000 1.457 326 F CB 0.176 39.150 39.000 -0.043 0.000 1.106 326 F HN 0.425 nan 8.300 nan 0.000 0.585 327 D N 0.082 120.626 120.400 0.241 0.000 2.178 327 D HA -0.113 4.521 4.640 -0.009 0.000 0.202 327 D C 2.135 178.527 176.300 0.154 0.000 0.974 327 D CA 1.212 55.309 54.000 0.162 0.000 0.841 327 D CB -0.133 40.737 40.800 0.117 0.000 0.953 327 D HN 0.216 nan 8.370 nan 0.000 0.478 328 A N -0.759 122.178 122.820 0.195 0.000 2.275 328 A HA 0.117 4.431 4.320 -0.009 0.000 0.212 328 A C 1.520 179.207 177.584 0.172 0.000 1.201 328 A CA -0.323 51.821 52.037 0.179 0.000 0.843 328 A CB -0.779 18.337 19.000 0.194 0.000 0.873 328 A HN 0.224 nan 8.150 nan 0.000 0.492 329 F N 1.874 121.778 119.950 -0.076 0.000 2.091 329 F HA -0.119 4.403 4.527 -0.009 0.000 0.299 329 F C -0.835 174.845 175.800 -0.200 0.000 1.103 329 F CA 2.346 60.090 58.000 -0.427 0.000 1.228 329 F CB -0.525 38.248 39.000 -0.378 0.000 0.984 329 F HN 0.198 nan 8.300 nan 0.000 0.477 330 P HA -0.099 nan 4.420 nan 0.000 0.226 330 P C 0.711 177.962 177.300 -0.083 0.000 1.153 330 P CA 1.467 64.531 63.100 -0.060 0.000 0.777 330 P CB -0.040 31.657 31.700 -0.005 0.000 0.794 331 D N -0.971 119.403 120.400 -0.044 0.000 2.323 331 D HA -0.016 4.618 4.640 -0.009 0.000 0.209 331 D C 1.427 177.711 176.300 -0.028 0.000 0.973 331 D CA 0.873 54.862 54.000 -0.017 0.000 0.874 331 D CB 0.148 40.961 40.800 0.022 0.000 0.930 331 D HN 0.141 nan 8.370 nan 0.000 0.521 332 K N 0.129 120.487 120.400 -0.071 0.000 2.402 332 K HA 0.221 4.535 4.320 -0.009 0.000 0.203 332 K C -0.103 176.407 176.600 -0.149 0.000 1.077 332 K CA 0.017 56.277 56.287 -0.045 0.000 1.051 332 K CB 2.374 34.955 32.500 0.134 0.000 0.907 332 K HN -0.066 nan 8.250 nan 0.000 0.554 333 V N 0.773 120.504 119.914 -0.305 0.000 2.760 333 V HA 0.652 4.767 4.120 -0.009 0.000 0.309 333 V C -1.219 174.776 176.094 -0.165 0.000 1.077 333 V CA -1.278 60.843 62.300 -0.297 0.000 0.910 333 V CB 1.957 33.306 31.823 -0.789 0.000 1.008 333 V HN 0.104 nan 8.190 nan 0.000 0.424 334 A N 5.437 128.225 122.820 -0.053 0.000 2.359 334 A HA 0.917 5.231 4.320 -0.009 0.000 0.303 334 A C -1.074 176.540 177.584 0.050 0.000 1.066 334 A CA -0.428 51.609 52.037 -0.000 0.000 0.730 334 A CB 1.051 19.999 19.000 -0.086 0.000 1.211 334 A HN 0.756 nan 8.150 nan 0.000 0.439 335 I N 1.926 122.571 120.570 0.125 0.000 2.382 335 I HA 0.316 4.480 4.170 -0.009 0.000 0.286 335 I C -0.344 175.871 176.117 0.164 0.000 1.002 335 I CA -0.571 60.815 61.300 0.143 0.000 1.135 335 I CB 1.960 40.027 38.000 0.112 0.000 1.288 335 I HN 0.704 nan 8.210 nan 0.000 0.448 336 Q N 6.885 126.777 119.800 0.154 0.000 2.314 336 Q HA 0.513 4.847 4.340 -0.009 0.000 0.259 336 Q C -1.378 174.623 176.000 0.001 0.000 0.951 336 Q CA -0.280 55.643 55.803 0.201 0.000 0.909 336 Q CB 1.387 30.360 28.738 0.392 0.000 1.236 336 Q HN 0.571 nan 8.270 nan 0.000 0.444 337 L N 3.781 125.047 121.223 0.071 0.000 2.260 337 L HA 0.405 4.739 4.340 -0.009 0.000 0.289 337 L C 0.060 176.959 176.870 0.048 0.000 1.057 337 L CA -0.766 54.105 54.840 0.052 0.000 0.811 337 L CB 0.721 42.866 42.059 0.143 0.000 1.184 337 L HN 0.578 nan 8.230 nan 0.000 0.429 338 N N 3.608 122.256 118.700 -0.087 0.000 2.508 338 N HA 0.100 4.834 4.740 -0.009 0.000 0.253 338 N C -0.212 175.321 175.510 0.037 0.000 1.145 338 N CA 0.458 53.514 53.050 0.009 0.000 0.973 338 N CB -0.094 38.323 38.487 -0.117 0.000 1.305 338 N HN 0.717 nan 8.380 nan 0.000 0.506 339 D N -0.438 120.088 120.400 0.210 0.000 4.199 339 D HA -0.249 4.386 4.640 -0.009 0.000 0.291 339 D C 0.387 176.822 176.300 0.224 0.000 2.213 339 D CA 1.858 55.986 54.000 0.212 0.000 1.174 339 D CB -0.470 40.212 40.800 -0.195 0.000 1.012 339 D HN 0.491 nan 8.370 nan 0.000 1.213 340 T N -3.053 111.589 114.554 0.146 0.000 3.129 340 T HA 0.099 4.443 4.350 -0.009 0.000 0.251 340 T C 1.472 176.285 174.700 0.189 0.000 1.117 340 T CA 1.385 63.540 62.100 0.091 0.000 1.034 340 T CB -0.484 68.398 68.868 0.023 0.000 0.968 340 T HN 0.515 nan 8.240 nan 0.000 0.526 341 H N 2.636 121.799 119.070 0.156 0.000 2.357 341 H HA -0.030 4.520 4.556 -0.009 0.000 0.296 341 H C -0.774 174.644 175.328 0.150 0.000 1.108 341 H CA 1.175 57.328 56.048 0.174 0.000 1.273 341 H CB -0.757 29.105 29.762 0.167 0.000 1.367 341 H HN 0.453 nan 8.280 nan 0.000 0.498 342 P HA 0.089 nan 4.420 nan 0.000 0.266 342 P C 0.752 178.102 177.300 0.083 0.000 1.561 342 P CA 0.376 63.561 63.100 0.143 0.000 1.089 342 P CB 0.466 32.239 31.700 0.121 0.000 1.534 343 S N 0.017 115.762 115.700 0.074 0.000 2.440 343 S HA -0.137 4.327 4.470 -0.009 0.000 0.238 343 S C 1.794 176.399 174.600 0.008 0.000 1.010 343 S CA 0.803 59.006 58.200 0.005 0.000 0.972 343 S CB -1.496 61.684 63.200 -0.034 0.000 0.774 343 S HN 0.153 nan 8.310 nan 0.000 0.501 344 L N 0.940 122.181 121.223 0.029 0.000 2.549 344 L HA 0.025 4.360 4.340 -0.009 0.000 0.230 344 L C 2.879 179.785 176.870 0.061 0.000 1.162 344 L CA 0.603 55.461 54.840 0.030 0.000 0.834 344 L CB -0.737 41.339 42.059 0.027 0.000 0.947 344 L HN 0.480 nan 8.230 nan 0.000 0.452 345 A N 0.464 123.303 122.820 0.032 0.000 1.972 345 A HA -0.168 4.147 4.320 -0.009 0.000 0.219 345 A C 2.183 179.770 177.584 0.006 0.000 1.169 345 A CA 1.305 53.348 52.037 0.010 0.000 0.635 345 A CB -0.399 18.599 19.000 -0.004 0.000 0.810 345 A HN 0.364 nan 8.150 nan 0.000 0.446 346 I N 0.352 120.926 120.570 0.006 0.000 2.113 346 I HA -0.150 4.015 4.170 -0.009 0.000 0.238 346 I C -0.308 175.826 176.117 0.027 0.000 1.070 346 I CA 1.598 62.898 61.300 0.000 0.000 1.332 346 I CB -0.997 37.006 38.000 0.005 0.000 1.044 346 I HN 0.257 nan 8.210 nan 0.000 0.402 347 P HA -0.160 nan 4.420 nan 0.000 0.222 347 P C 1.256 178.573 177.300 0.029 0.000 1.153 347 P CA 1.448 64.578 63.100 0.050 0.000 0.798 347 P CB 0.055 31.804 31.700 0.082 0.000 0.796 348 E N 0.419 120.704 120.200 0.141 0.000 2.072 348 E HA -0.150 4.194 4.350 -0.009 0.000 0.191 348 E C 1.942 178.531 176.600 -0.018 0.000 0.985 348 E CA 0.670 57.172 56.400 0.170 0.000 0.801 348 E CB -1.211 28.636 29.700 0.246 0.000 0.750 348 E HN 0.001 nan 8.360 nan 0.000 0.452 349 L N -0.042 121.141 121.223 -0.065 0.000 2.046 349 L HA -0.091 4.244 4.340 -0.009 0.000 0.208 349 L C 2.078 178.811 176.870 -0.229 0.000 1.077 349 L CA 1.743 56.487 54.840 -0.161 0.000 0.747 349 L CB -0.527 41.441 42.059 -0.153 0.000 0.896 349 L HN 0.236 nan 8.230 nan 0.000 0.432 350 M N -0.830 118.649 119.600 -0.203 0.000 2.117 350 M HA -0.193 4.282 4.480 -0.009 0.000 0.262 350 M C 2.427 178.560 176.300 -0.278 0.000 1.065 350 M CA 1.492 56.616 55.300 -0.293 0.000 1.114 350 M CB -1.156 31.251 32.600 -0.322 0.000 1.361 350 M HN 0.340 nan 8.290 nan 0.000 0.408 351 R N 0.059 120.422 120.500 -0.228 0.000 2.083 351 R HA -0.130 4.205 4.340 -0.009 0.000 0.237 351 R C 2.061 178.258 176.300 -0.171 0.000 1.137 351 R CA 1.662 57.631 56.100 -0.218 0.000 0.951 351 R CB -0.185 29.937 30.300 -0.297 0.000 0.851 351 R HN 0.195 nan 8.270 nan 0.000 0.434 352 V N 1.490 121.303 119.914 -0.168 0.000 2.295 352 V HA -0.257 3.857 4.120 -0.009 0.000 0.246 352 V C 2.429 178.368 176.094 -0.259 0.000 1.049 352 V CA 1.784 63.981 62.300 -0.173 0.000 1.024 352 V CB -0.430 31.289 31.823 -0.173 0.000 0.648 352 V HN 0.346 nan 8.190 nan 0.000 0.447 353 L N -0.585 120.418 121.223 -0.367 0.000 2.046 353 L HA -0.140 4.194 4.340 -0.009 0.000 0.208 353 L C 2.391 179.082 176.870 -0.298 0.000 1.077 353 L CA 1.159 55.718 54.840 -0.468 0.000 0.747 353 L CB -0.632 41.105 42.059 -0.538 0.000 0.896 353 L HN 0.212 nan 8.230 nan 0.000 0.432 354 V N -0.589 119.189 119.914 -0.228 0.000 2.300 354 V HA -0.182 3.932 4.120 -0.009 0.000 0.241 354 V C 2.004 178.056 176.094 -0.070 0.000 1.034 354 V CA 1.686 63.912 62.300 -0.124 0.000 1.021 354 V CB -0.372 31.399 31.823 -0.086 0.000 0.662 354 V HN 0.342 nan 8.190 nan 0.000 0.458 355 D N 0.100 120.455 120.400 -0.074 0.000 2.123 355 D HA -0.035 4.600 4.640 -0.009 0.000 0.200 355 D C 2.062 178.339 176.300 -0.038 0.000 0.976 355 D CA 1.251 55.226 54.000 -0.042 0.000 0.831 355 D CB -0.015 40.758 40.800 -0.045 0.000 0.974 355 D HN 0.325 nan 8.370 nan 0.000 0.469 356 L N 0.220 121.406 121.223 -0.062 0.000 2.286 356 L HA 0.092 4.426 4.340 -0.009 0.000 0.203 356 L C 1.934 178.779 176.870 -0.041 0.000 1.068 356 L CA 0.557 55.372 54.840 -0.043 0.000 0.811 356 L CB -0.055 41.980 42.059 -0.041 0.000 0.989 356 L HN -0.179 nan 8.230 nan 0.000 0.467 357 E N 0.344 120.487 120.200 -0.096 0.000 2.442 357 E HA 0.009 4.354 4.350 -0.009 0.000 0.195 357 E C 0.157 176.731 176.600 -0.043 0.000 1.030 357 E CA 0.004 56.359 56.400 -0.075 0.000 0.869 357 E CB 0.279 29.827 29.700 -0.253 0.000 0.857 357 E HN 0.188 nan 8.360 nan 0.000 0.505 358 R N -0.372 120.095 120.500 -0.055 0.000 3.656 358 R HA -0.180 4.154 4.340 -0.009 0.000 0.297 358 R C -0.411 175.879 176.300 -0.017 0.000 1.166 358 R CA 0.231 56.319 56.100 -0.020 0.000 0.799 358 R CB -2.822 27.484 30.300 0.010 0.000 1.285 358 R HN 0.077 nan 8.270 nan 0.000 0.477 359 L N 2.004 123.189 121.223 -0.063 0.000 2.418 359 L HA 0.191 4.525 4.340 -0.009 0.000 0.265 359 L C 1.404 178.269 176.870 -0.008 0.000 1.143 359 L CA 0.099 54.912 54.840 -0.044 0.000 0.809 359 L CB 0.419 42.407 42.059 -0.118 0.000 1.124 359 L HN 0.125 nan 8.230 nan 0.000 0.456 360 D N 0.456 120.875 120.400 0.032 0.000 2.362 360 D HA -0.130 4.505 4.640 -0.009 0.000 0.242 360 D C 0.951 177.318 176.300 0.113 0.000 1.132 360 D CA -0.525 53.527 54.000 0.087 0.000 0.907 360 D CB 0.758 41.614 40.800 0.093 0.000 1.195 360 D HN 0.607 nan 8.370 nan 0.000 0.429 361 W N 2.238 123.541 121.300 0.005 0.000 2.301 361 W HA -0.257 4.398 4.660 -0.009 0.000 0.325 361 W C 1.041 177.603 176.519 0.071 0.000 1.250 361 W CA 2.053 59.408 57.345 0.017 0.000 1.261 361 W CB -0.340 29.110 29.460 -0.017 0.000 1.157 361 W HN 0.462 nan 8.180 nan 0.000 0.473 362 D N 0.280 120.892 120.400 0.353 0.000 2.133 362 D HA -0.220 4.414 4.640 -0.009 0.000 0.195 362 D C 1.881 178.285 176.300 0.173 0.000 0.997 362 D CA 2.152 56.326 54.000 0.291 0.000 0.840 362 D CB -0.480 40.457 40.800 0.228 0.000 0.947 362 D HN 0.089 nan 8.370 nan 0.000 0.452 363 K N 1.181 121.641 120.400 0.100 0.000 2.057 363 K HA -0.000 4.314 4.320 -0.009 0.000 0.206 363 K C 1.838 178.431 176.600 -0.011 0.000 1.050 363 K CA 1.482 57.801 56.287 0.052 0.000 0.935 363 K CB -0.577 31.948 32.500 0.042 0.000 0.715 363 K HN 0.009 nan 8.250 nan 0.000 0.439 364 A N 0.525 123.296 122.820 -0.082 0.000 1.902 364 A HA -0.181 4.133 4.320 -0.009 0.000 0.217 364 A C 2.259 179.750 177.584 -0.155 0.000 1.181 364 A CA 1.481 53.399 52.037 -0.198 0.000 0.623 364 A CB -1.207 17.602 19.000 -0.318 0.000 0.818 364 A HN 0.698 nan 8.150 nan 0.000 0.443 365 W N 0.622 121.716 121.300 -0.343 0.000 2.363 365 W HA -0.157 4.498 4.660 -0.009 0.000 0.296 365 W C 1.969 178.433 176.519 -0.092 0.000 1.212 365 W CA 1.740 58.937 57.345 -0.247 0.000 1.260 365 W CB -0.069 29.297 29.460 -0.156 0.000 1.131 365 W HN 0.608 nan 8.180 nan 0.000 0.530 366 E N 0.112 120.306 120.200 -0.010 0.000 2.051 366 E HA -0.224 4.121 4.350 -0.009 0.000 0.192 366 E C 2.055 178.578 176.600 -0.128 0.000 0.991 366 E CA 1.894 58.251 56.400 -0.071 0.000 0.799 366 E CB -0.315 29.400 29.700 0.025 0.000 0.748 366 E HN 0.052 nan 8.360 nan 0.000 0.449 367 V N 0.769 120.625 119.914 -0.097 0.000 2.295 367 V HA -0.264 3.851 4.120 -0.009 0.000 0.246 367 V C 2.406 178.440 176.094 -0.100 0.000 1.049 367 V CA 2.192 64.455 62.300 -0.063 0.000 1.024 367 V CB -0.791 30.987 31.823 -0.074 0.000 0.648 367 V HN 0.383 nan 8.190 nan 0.000 0.447 368 T N 0.132 114.556 114.554 -0.216 0.000 2.652 368 T HA -0.190 4.155 4.350 -0.009 0.000 0.267 368 T C 1.948 176.478 174.700 -0.284 0.000 1.039 368 T CA 1.847 63.795 62.100 -0.253 0.000 1.153 368 T CB -0.329 68.332 68.868 -0.345 0.000 0.863 368 T HN 0.284 nan 8.240 nan 0.000 0.428 369 V N 1.491 121.115 119.914 -0.484 0.000 2.332 369 V HA -0.186 3.929 4.120 -0.009 0.000 0.248 369 V C 2.333 178.382 176.094 -0.075 0.000 1.055 369 V CA 1.651 63.726 62.300 -0.375 0.000 1.038 369 V CB -0.530 30.993 31.823 -0.501 0.000 0.651 369 V HN 0.486 nan 8.190 nan 0.000 0.450 370 K N -0.460 119.873 120.400 -0.110 0.000 2.288 370 K HA -0.074 4.241 4.320 -0.009 0.000 0.201 370 K C 2.078 178.630 176.600 -0.079 0.000 1.048 370 K CA 1.478 57.671 56.287 -0.156 0.000 0.956 370 K CB -0.196 32.221 32.500 -0.139 0.000 0.746 370 K HN 0.474 nan 8.250 nan 0.000 0.461 371 T N 0.260 114.839 114.554 0.042 0.000 2.976 371 T HA 0.021 4.365 4.350 -0.009 0.000 0.257 371 T C 0.958 175.769 174.700 0.186 0.000 1.051 371 T CA 0.374 62.538 62.100 0.107 0.000 1.141 371 T CB 0.089 69.057 68.868 0.167 0.000 0.881 371 T HN 0.169 nan 8.240 nan 0.000 0.461 372 C N 2.315 121.709 119.300 0.158 0.000 2.405 372 C HA 0.874 5.329 4.460 -0.009 0.000 0.365 372 C C 0.583 175.635 174.990 0.104 0.000 1.233 372 C CA -1.238 57.856 59.018 0.126 0.000 2.230 372 C CB 0.108 27.861 27.740 0.021 0.000 2.443 372 C HN 0.591 nan 8.230 nan 0.000 0.556 373 A N 1.951 124.824 122.820 0.089 0.000 2.486 373 A HA 0.738 5.053 4.320 -0.009 0.000 0.300 373 A C -1.515 176.148 177.584 0.131 0.000 1.048 373 A CA -0.408 51.630 52.037 0.001 0.000 0.696 373 A CB 0.997 20.028 19.000 0.051 0.000 1.278 373 A HN 0.949 nan 8.150 nan 0.000 0.405 374 Y N 1.247 121.503 120.300 -0.073 0.000 2.376 374 Y HA 0.652 5.197 4.550 -0.009 0.000 0.340 374 Y C -0.513 175.381 175.900 -0.010 0.000 0.965 374 Y CA -0.319 57.757 58.100 -0.041 0.000 1.078 374 Y CB 2.061 40.459 38.460 -0.103 0.000 1.193 374 Y HN 0.564 nan 8.280 nan 0.000 0.452 375 T N 6.607 120.959 114.554 -0.337 0.000 2.770 375 T HA 0.195 4.539 4.350 -0.009 0.000 0.283 375 T C -0.820 173.418 174.700 -0.771 0.000 0.988 375 T CA -0.814 61.016 62.100 -0.451 0.000 0.957 375 T CB 0.449 69.277 68.868 -0.066 0.000 0.930 375 T HN 0.661 nan 8.240 nan 0.000 0.443 376 N N 1.815 120.059 118.700 -0.761 0.000 2.473 376 N HA 0.148 4.882 4.740 -0.009 0.000 0.291 376 N C -0.119 175.240 175.510 -0.250 0.000 1.083 376 N CA -0.370 52.456 53.050 -0.373 0.000 0.951 376 N CB 0.829 39.273 38.487 -0.071 0.000 1.164 376 N HN 0.682 nan 8.380 nan 0.000 0.480 377 H N 0.973 120.067 119.070 0.040 0.000 2.785 377 H HA 0.199 4.750 4.556 -0.009 0.000 0.268 377 H C -0.291 174.948 175.328 -0.148 0.000 1.153 377 H CA -0.152 55.863 56.048 -0.055 0.000 1.111 377 H CB 1.030 30.765 29.762 -0.045 0.000 1.633 377 H HN 0.530 nan 8.280 nan 0.000 0.576 378 T N 0.270 114.847 114.554 0.038 0.000 2.831 378 T HA 0.204 4.548 4.350 -0.009 0.000 0.333 378 T C 0.143 174.858 174.700 0.025 0.000 1.684 378 T CA -0.277 61.798 62.100 -0.042 0.000 1.049 378 T CB 1.227 70.065 68.868 -0.050 0.000 1.518 378 T HN -0.024 nan 8.240 nan 0.000 0.491 379 V N 1.046 120.935 119.914 -0.041 0.000 3.432 379 V HA 0.564 4.679 4.120 -0.009 0.000 0.298 379 V C 0.496 176.552 176.094 -0.064 0.000 1.464 379 V CA -0.105 62.157 62.300 -0.063 0.000 1.046 379 V CB -0.229 31.559 31.823 -0.059 0.000 0.887 379 V HN 0.674 nan 8.190 nan 0.000 0.441 380 L N 3.382 124.560 121.223 -0.074 0.000 2.477 380 L HA 0.249 4.583 4.340 -0.009 0.000 0.272 380 L C -0.501 176.370 176.870 0.002 0.000 1.157 380 L CA -1.098 53.723 54.840 -0.031 0.000 0.889 380 L CB 0.932 42.958 42.059 -0.055 0.000 1.158 380 L HN 0.118 nan 8.230 nan 0.000 0.473 381 P HA -0.232 nan 4.420 nan 0.000 0.216 381 P C 0.934 178.238 177.300 0.008 0.000 1.153 381 P CA 1.373 64.478 63.100 0.008 0.000 0.858 381 P CB 0.064 31.774 31.700 0.018 0.000 0.789 382 E N 0.268 120.499 120.200 0.053 0.000 2.478 382 E HA -0.042 4.302 4.350 -0.009 0.000 0.198 382 E C 1.584 178.167 176.600 -0.028 0.000 1.046 382 E CA 1.026 57.445 56.400 0.031 0.000 0.870 382 E CB -0.641 29.166 29.700 0.179 0.000 0.818 382 E HN 0.222 nan 8.360 nan 0.000 0.527 383 A N 1.120 123.955 122.820 0.024 0.000 2.220 383 A HA 0.255 4.569 4.320 -0.009 0.000 0.211 383 A C 1.246 178.822 177.584 -0.013 0.000 1.176 383 A CA -0.334 51.727 52.037 0.041 0.000 0.834 383 A CB 0.004 19.049 19.000 0.075 0.000 0.868 383 A HN 0.143 nan 8.150 nan 0.000 0.488 384 L N 1.464 122.638 121.223 -0.082 0.000 2.380 384 L HA 0.177 4.512 4.340 -0.009 0.000 0.273 384 L C -0.098 176.473 176.870 -0.499 0.000 1.138 384 L CA -0.265 54.473 54.840 -0.171 0.000 0.832 384 L CB 0.672 42.661 42.059 -0.116 0.000 1.124 384 L HN 0.310 nan 8.230 nan 0.000 0.454 385 E N 3.970 123.781 120.200 -0.648 0.000 2.257 385 E HA 0.231 4.576 4.350 -0.009 0.000 0.278 385 E C -0.639 175.333 176.600 -1.048 0.000 1.049 385 E CA -0.149 55.408 56.400 -1.406 0.000 0.876 385 E CB 0.711 29.931 29.700 -0.800 0.000 1.035 385 E HN 0.405 nan 8.360 nan 0.000 0.419 386 R N 3.716 123.435 120.500 -1.302 0.000 2.576 386 R HA 0.185 4.519 4.340 -0.009 0.000 0.283 386 R C -1.305 174.814 176.300 -0.302 0.000 1.493 386 R CA -0.557 55.235 56.100 -0.514 0.000 1.170 386 R CB 0.748 30.875 30.300 -0.288 0.000 1.189 386 R HN 0.453 nan 8.270 nan 0.000 0.542 387 W N 3.990 125.234 121.300 -0.094 0.000 2.287 387 W HA 0.276 4.930 4.660 -0.009 0.000 0.313 387 W C -1.931 174.563 176.519 -0.043 0.000 1.267 387 W CA -2.066 55.292 57.345 0.023 0.000 1.201 387 W CB 0.576 30.028 29.460 -0.014 0.000 1.196 387 W HN 0.226 nan 8.180 nan 0.000 0.536 388 P HA -0.065 nan 4.420 nan 0.000 0.267 388 P C 0.773 178.004 177.300 -0.115 0.000 1.205 388 P CA 0.131 63.197 63.100 -0.056 0.000 0.765 388 P CB 0.799 32.307 31.700 -0.320 0.000 0.828 389 V N 3.220 123.118 119.914 -0.027 0.000 2.392 389 V HA -0.287 3.827 4.120 -0.009 0.000 0.249 389 V C 2.107 178.206 176.094 0.007 0.000 1.059 389 V CA 2.509 64.817 62.300 0.013 0.000 1.051 389 V CB -1.756 30.138 31.823 0.118 0.000 0.658 389 V HN 0.760 nan 8.190 nan 0.000 0.455 390 H N -0.949 118.182 119.070 0.100 0.000 2.456 390 H HA -0.094 4.456 4.556 -0.009 0.000 0.296 390 H C 1.979 177.359 175.328 0.086 0.000 1.079 390 H CA 1.642 57.744 56.048 0.091 0.000 1.322 390 H CB -0.555 29.261 29.762 0.090 0.000 1.388 390 H HN 0.369 nan 8.280 nan 0.000 0.538 391 L N -0.109 120.998 121.223 -0.193 0.000 2.044 391 L HA -0.053 4.281 4.340 -0.009 0.000 0.205 391 L C 2.385 179.224 176.870 -0.052 0.000 1.075 391 L CA 0.898 55.715 54.840 -0.038 0.000 0.747 391 L CB -0.229 41.794 42.059 -0.059 0.000 0.903 391 L HN 0.317 nan 8.230 nan 0.000 0.435 392 L N -0.485 120.674 121.223 -0.106 0.000 2.083 392 L HA -0.245 4.089 4.340 -0.009 0.000 0.209 392 L C 2.499 179.310 176.870 -0.097 0.000 1.083 392 L CA 1.200 55.947 54.840 -0.155 0.000 0.752 392 L CB -0.459 41.494 42.059 -0.177 0.000 0.899 392 L HN 0.349 nan 8.230 nan 0.000 0.433 393 E N -0.343 119.842 120.200 -0.024 0.000 2.085 393 E HA -0.212 4.132 4.350 -0.009 0.000 0.194 393 E C 1.909 178.550 176.600 0.068 0.000 0.994 393 E CA 1.887 58.304 56.400 0.029 0.000 0.801 393 E CB 0.152 29.908 29.700 0.094 0.000 0.743 393 E HN 0.432 nan 8.360 nan 0.000 0.453 394 T N 0.687 115.307 114.554 0.109 0.000 2.894 394 T HA -0.062 4.282 4.350 -0.009 0.000 0.258 394 T C 1.700 176.527 174.700 0.211 0.000 1.043 394 T CA 0.612 62.827 62.100 0.193 0.000 1.141 394 T CB -0.092 68.922 68.868 0.243 0.000 0.873 394 T HN 0.070 nan 8.240 nan 0.000 0.449 395 L N 0.113 121.365 121.223 0.048 0.000 2.131 395 L HA 0.348 4.682 4.340 -0.009 0.000 0.206 395 L C 0.405 177.228 176.870 -0.079 0.000 1.087 395 L CA 1.592 56.346 54.840 -0.143 0.000 0.767 395 L CB 0.025 41.961 42.059 -0.206 0.000 0.917 395 L HN 0.171 nan 8.230 nan 0.000 0.441 396 L N 0.809 121.943 121.223 -0.150 0.000 2.551 396 L HA 0.285 4.619 4.340 -0.009 0.000 0.248 396 L C -1.643 175.050 176.870 -0.294 0.000 1.509 396 L CA -0.938 53.722 54.840 -0.299 0.000 0.842 396 L CB 0.880 42.606 42.059 -0.554 0.000 1.087 396 L HN -0.054 nan 8.230 nan 0.000 0.512 397 P HA -0.238 nan 4.420 nan 0.000 0.216 397 P C 1.465 178.573 177.300 -0.321 0.000 1.153 397 P CA 1.345 64.328 63.100 -0.196 0.000 0.858 397 P CB 0.379 32.038 31.700 -0.069 0.000 0.789 398 R N -0.309 119.817 120.500 -0.624 0.000 2.075 398 R HA -0.146 4.189 4.340 -0.009 0.000 0.232 398 R C 2.376 178.365 176.300 -0.518 0.000 1.126 398 R CA 1.605 57.340 56.100 -0.608 0.000 0.963 398 R CB -1.447 28.309 30.300 -0.907 0.000 0.858 398 R HN 0.231 nan 8.270 nan 0.000 0.435 399 H N -0.213 118.537 119.070 -0.534 0.000 2.387 399 H HA -0.050 4.501 4.556 -0.009 0.000 0.299 399 H C 1.790 176.937 175.328 -0.302 0.000 1.090 399 H CA 1.613 57.432 56.048 -0.382 0.000 1.332 399 H CB -0.097 29.400 29.762 -0.440 0.000 1.386 399 H HN 0.112 nan 8.280 nan 0.000 0.516 400 L N 0.478 121.569 121.223 -0.220 0.000 2.046 400 L HA -0.244 4.090 4.340 -0.009 0.000 0.208 400 L C 1.860 178.523 176.870 -0.344 0.000 1.077 400 L CA 1.558 56.198 54.840 -0.332 0.000 0.747 400 L CB -0.245 41.643 42.059 -0.285 0.000 0.896 400 L HN 0.443 nan 8.230 nan 0.000 0.432 401 Q N -0.256 119.457 119.800 -0.145 0.000 2.084 401 Q HA -0.233 4.101 4.340 -0.009 0.000 0.202 401 Q C 2.173 178.188 176.000 0.025 0.000 0.978 401 Q CA 1.660 57.473 55.803 0.017 0.000 0.844 401 Q CB -0.122 28.633 28.738 0.030 0.000 0.898 401 Q HN 0.560 nan 8.270 nan 0.000 0.426 402 I N 0.529 121.090 120.570 -0.014 0.000 2.286 402 I HA -0.272 3.892 4.170 -0.009 0.000 0.248 402 I C 2.179 178.366 176.117 0.116 0.000 1.115 402 I CA 1.059 62.431 61.300 0.120 0.000 1.392 402 I CB -0.184 37.830 38.000 0.024 0.000 1.065 402 I HN 0.201 nan 8.210 nan 0.000 0.418 403 I N -0.462 120.092 120.570 -0.027 0.000 2.286 403 I HA -0.308 3.857 4.170 -0.009 0.000 0.248 403 I C 2.393 178.520 176.117 0.018 0.000 1.115 403 I CA 1.412 62.686 61.300 -0.043 0.000 1.392 403 I CB -0.365 37.537 38.000 -0.164 0.000 1.065 403 I HN 0.156 nan 8.210 nan 0.000 0.418 404 Y N 0.820 121.124 120.300 0.007 0.000 2.181 404 Y HA -0.255 4.290 4.550 -0.009 0.000 0.288 404 Y C 2.588 178.454 175.900 -0.056 0.000 1.146 404 Y CA 1.431 59.522 58.100 -0.015 0.000 1.164 404 Y CB -0.759 37.685 38.460 -0.027 0.000 0.982 404 Y HN 0.185 nan 8.280 nan 0.000 0.515 405 E N 0.473 120.715 120.200 0.069 0.000 2.077 405 E HA -0.147 4.197 4.350 -0.009 0.000 0.193 405 E C 2.036 178.548 176.600 -0.146 0.000 0.989 405 E CA 1.309 57.608 56.400 -0.170 0.000 0.800 405 E CB -0.542 28.897 29.700 -0.435 0.000 0.746 405 E HN 0.478 nan 8.360 nan 0.000 0.452 406 I N 0.591 121.177 120.570 0.027 0.000 2.179 406 I HA -0.277 3.887 4.170 -0.009 0.000 0.242 406 I C 2.283 178.403 176.117 0.005 0.000 1.088 406 I CA 1.413 62.691 61.300 -0.038 0.000 1.357 406 I CB -0.407 37.582 38.000 -0.019 0.000 1.051 406 I HN 0.216 nan 8.210 nan 0.000 0.409 407 N N 0.745 119.495 118.700 0.084 0.000 2.120 407 N HA -0.271 4.463 4.740 -0.009 0.000 0.188 407 N C 1.872 177.468 175.510 0.143 0.000 1.024 407 N CA 1.548 54.699 53.050 0.167 0.000 0.852 407 N CB -0.120 38.481 38.487 0.190 0.000 1.003 407 N HN 0.296 nan 8.380 nan 0.000 0.424 408 Q N -0.073 119.756 119.800 0.048 0.000 2.061 408 Q HA -0.108 4.226 4.340 -0.009 0.000 0.204 408 Q C 2.005 177.985 176.000 -0.033 0.000 0.984 408 Q CA 1.462 57.256 55.803 -0.015 0.000 0.846 408 Q CB 0.020 28.708 28.738 -0.084 0.000 0.902 408 Q HN 0.391 nan 8.270 nan 0.000 0.421 409 R N -0.759 119.698 120.500 -0.072 0.000 2.092 409 R HA -0.111 4.223 4.340 -0.009 0.000 0.231 409 R C 2.165 178.483 176.300 0.030 0.000 1.119 409 R CA 1.148 57.203 56.100 -0.076 0.000 0.970 409 R CB -0.342 29.857 30.300 -0.168 0.000 0.864 409 R HN 0.273 nan 8.270 nan 0.000 0.440 410 F N 1.669 121.589 119.950 -0.049 0.000 2.113 410 F HA -0.097 4.424 4.527 -0.009 0.000 0.297 410 F C 1.872 177.696 175.800 0.041 0.000 1.103 410 F CA 1.330 59.352 58.000 0.036 0.000 1.248 410 F CB -0.229 38.825 39.000 0.090 0.000 0.999 410 F HN -0.129 nan 8.300 nan 0.000 0.475 411 L N 0.015 121.249 121.223 0.017 0.000 2.191 411 L HA -0.231 4.103 4.340 -0.009 0.000 0.212 411 L C 1.960 178.764 176.870 -0.111 0.000 1.103 411 L CA 1.469 56.258 54.840 -0.085 0.000 0.769 411 L CB -0.879 41.195 42.059 0.025 0.000 0.908 411 L HN 0.272 nan 8.230 nan 0.000 0.438 412 N N -0.244 118.407 118.700 -0.082 0.000 2.244 412 N HA -0.143 4.591 4.740 -0.009 0.000 0.183 412 N C 1.935 177.388 175.510 -0.096 0.000 1.016 412 N CA 0.600 53.604 53.050 -0.076 0.000 0.866 412 N CB 0.051 38.500 38.487 -0.064 0.000 0.980 412 N HN 0.266 nan 8.380 nan 0.000 0.430 413 R N 0.540 120.961 120.500 -0.132 0.000 2.075 413 R HA -0.026 4.308 4.340 -0.009 0.000 0.232 413 R C 2.170 178.364 176.300 -0.175 0.000 1.126 413 R CA 0.773 56.789 56.100 -0.139 0.000 0.963 413 R CB -0.186 30.034 30.300 -0.134 0.000 0.858 413 R HN 0.044 nan 8.270 nan 0.000 0.435 414 V N 0.770 120.529 119.914 -0.259 0.000 2.343 414 V HA -0.242 3.872 4.120 -0.009 0.000 0.247 414 V C 2.353 178.441 176.094 -0.011 0.000 1.051 414 V CA 1.995 64.210 62.300 -0.141 0.000 1.036 414 V CB -0.693 30.987 31.823 -0.239 0.000 0.654 414 V HN 0.429 nan 8.190 nan 0.000 0.451 415 A N -0.087 122.701 122.820 -0.054 0.000 1.972 415 A HA -0.084 4.230 4.320 -0.009 0.000 0.219 415 A C 2.354 179.914 177.584 -0.042 0.000 1.169 415 A CA 1.999 54.022 52.037 -0.024 0.000 0.635 415 A CB -0.619 18.359 19.000 -0.037 0.000 0.810 415 A HN 0.580 nan 8.150 nan 0.000 0.446 416 A N -0.664 122.110 122.820 -0.077 0.000 2.016 416 A HA 0.346 4.660 4.320 -0.009 0.000 0.217 416 A C 2.323 179.811 177.584 -0.159 0.000 1.162 416 A CA 1.575 53.554 52.037 -0.095 0.000 0.662 416 A CB -0.581 18.368 19.000 -0.086 0.000 0.812 416 A HN 0.921 nan 8.150 nan 0.000 0.450 417 A N -1.619 121.057 122.820 -0.241 0.000 1.984 417 A HA 0.403 4.718 4.320 -0.009 0.000 0.214 417 A C 0.429 177.540 177.584 -0.789 0.000 1.173 417 A CA 0.493 52.210 52.037 -0.533 0.000 0.673 417 A CB -0.113 18.481 19.000 -0.676 0.000 0.830 417 A HN 0.407 nan 8.150 nan 0.000 0.453 418 F N -0.059 119.846 119.950 -0.076 0.000 2.584 418 F HA 0.343 4.864 4.527 -0.009 0.000 0.328 418 F C -2.771 172.993 175.800 -0.060 0.000 1.407 418 F CA -2.929 55.031 58.000 -0.067 0.000 1.145 418 F CB 0.578 39.530 39.000 -0.080 0.000 1.440 418 F HN -0.073 nan 8.300 nan 0.000 0.580 419 P HA 0.136 nan 4.420 nan 0.000 0.262 419 P C 1.033 178.354 177.300 0.034 0.000 1.182 419 P CA 1.275 64.386 63.100 0.018 0.000 0.761 419 P CB 0.705 32.397 31.700 -0.012 0.000 0.795 420 G N 2.600 111.413 108.800 0.020 0.000 2.205 420 G HA2 -0.252 3.703 3.960 -0.009 0.000 0.261 420 G HA3 -0.252 3.703 3.960 -0.009 0.000 0.261 420 G C 0.365 175.274 174.900 0.016 0.000 0.980 420 G CA 0.082 45.191 45.100 0.014 0.000 0.632 420 G HN 0.607 nan 8.290 nan 0.000 0.533 421 D N 1.393 121.811 120.400 0.030 0.000 2.558 421 D HA 0.383 5.018 4.640 -0.009 0.000 0.221 421 D C 2.122 178.413 176.300 -0.015 0.000 1.143 421 D CA 0.383 54.385 54.000 0.004 0.000 1.010 421 D CB 0.348 41.149 40.800 0.002 0.000 1.068 421 D HN 0.598 nan 8.370 nan 0.000 0.511 422 V N 0.649 120.556 119.914 -0.013 0.000 2.490 422 V HA -0.167 3.948 4.120 -0.009 0.000 0.250 422 V C 1.771 177.853 176.094 -0.019 0.000 1.061 422 V CA 1.659 63.951 62.300 -0.014 0.000 1.064 422 V CB -0.436 31.382 31.823 -0.008 0.000 0.670 422 V HN 0.212 nan 8.190 nan 0.000 0.461 423 D N 0.414 120.798 120.400 -0.027 0.000 2.183 423 D HA -0.165 4.469 4.640 -0.009 0.000 0.203 423 D C 2.334 178.606 176.300 -0.046 0.000 0.969 423 D CA 1.339 55.323 54.000 -0.027 0.000 0.842 423 D CB -0.235 40.549 40.800 -0.027 0.000 0.957 423 D HN 0.469 nan 8.370 nan 0.000 0.484 424 R N -0.114 120.335 120.500 -0.085 0.000 2.096 424 R HA -0.084 4.251 4.340 -0.009 0.000 0.235 424 R C 2.251 178.485 176.300 -0.110 0.000 1.127 424 R CA 0.884 56.897 56.100 -0.145 0.000 0.968 424 R CB -0.252 29.902 30.300 -0.243 0.000 0.861 424 R HN 0.258 nan 8.270 nan 0.000 0.440 425 L N 0.680 121.864 121.223 -0.065 0.000 2.042 425 L HA -0.203 4.132 4.340 -0.009 0.000 0.210 425 L C 2.664 179.540 176.870 0.010 0.000 1.076 425 L CA 1.824 56.645 54.840 -0.032 0.000 0.749 425 L CB -0.468 41.581 42.059 -0.016 0.000 0.893 425 L HN 0.280 nan 8.230 nan 0.000 0.432 426 R N 0.049 120.559 120.500 0.016 0.000 2.115 426 R HA -0.074 4.261 4.340 -0.009 0.000 0.226 426 R C 2.115 178.463 176.300 0.080 0.000 1.100 426 R CA 0.919 57.049 56.100 0.050 0.000 0.980 426 R CB -0.557 29.766 30.300 0.038 0.000 0.875 426 R HN 0.185 nan 8.270 nan 0.000 0.445 427 R N 0.172 120.700 120.500 0.047 0.000 2.090 427 R HA 0.124 4.458 4.340 -0.009 0.000 0.228 427 R C 2.007 178.381 176.300 0.123 0.000 1.110 427 R CA 1.745 57.894 56.100 0.082 0.000 0.973 427 R CB -0.211 30.098 30.300 0.015 0.000 0.869 427 R HN 0.319 nan 8.270 nan 0.000 0.440 428 M N 0.283 119.880 119.600 -0.004 0.000 2.541 428 M HA 0.040 4.515 4.480 -0.009 0.000 0.252 428 M C 0.885 177.340 176.300 0.258 0.000 1.125 428 M CA 0.019 55.272 55.300 -0.078 0.000 1.091 428 M CB 0.400 32.803 32.600 -0.329 0.000 1.420 428 M HN -0.078 nan 8.290 nan 0.000 0.486 429 S N 1.016 116.875 115.700 0.265 0.000 2.563 429 S HA 0.055 4.520 4.470 -0.009 0.000 0.284 429 S C 1.113 175.960 174.600 0.412 0.000 1.331 429 S CA -0.235 58.148 58.200 0.305 0.000 1.047 429 S CB 0.591 63.914 63.200 0.205 0.000 0.859 429 S HN 0.380 nan 8.310 nan 0.000 0.514 430 L N 3.862 125.280 121.223 0.325 0.000 2.313 430 L HA 0.120 4.454 4.340 -0.009 0.000 0.214 430 L C 0.236 177.211 176.870 0.174 0.000 1.119 430 L CA 0.272 55.264 54.840 0.253 0.000 0.809 430 L CB -0.329 41.822 42.059 0.153 0.000 0.933 430 L HN 0.402 nan 8.230 nan 0.000 0.449 431 V N 0.939 120.969 119.914 0.193 0.000 2.350 431 V HA 0.165 4.280 4.120 -0.009 0.000 0.276 431 V C 0.077 176.255 176.094 0.141 0.000 1.028 431 V CA -0.596 61.806 62.300 0.170 0.000 0.860 431 V CB 1.322 33.279 31.823 0.223 0.000 0.990 431 V HN 0.176 nan 8.190 nan 0.000 0.453 432 E N 3.319 123.583 120.200 0.105 0.000 2.174 432 E HA 0.402 4.747 4.350 -0.009 0.000 0.282 432 E C -0.635 176.015 176.600 0.083 0.000 0.992 432 E CA -0.526 55.926 56.400 0.088 0.000 0.803 432 E CB 1.889 31.621 29.700 0.054 0.000 1.090 432 E HN 0.597 nan 8.360 nan 0.000 0.396 433 E N 0.916 121.162 120.200 0.076 0.000 2.314 433 E HA 0.641 4.985 4.350 -0.009 0.000 0.262 433 E C 0.128 176.763 176.600 0.058 0.000 1.093 433 E CA 0.281 56.720 56.400 0.066 0.000 0.908 433 E CB 1.490 31.224 29.700 0.055 0.000 1.091 433 E HN 0.640 nan 8.360 nan 0.000 0.425 434 G N -0.215 108.618 108.800 0.055 0.000 2.302 434 G HA2 0.245 4.199 3.960 -0.009 0.000 0.264 434 G HA3 0.245 4.199 3.960 -0.009 0.000 0.264 434 G C 0.498 175.430 174.900 0.053 0.000 1.335 434 G CA 0.286 45.416 45.100 0.049 0.000 0.982 434 G HN 0.643 nan 8.290 nan 0.000 0.473 435 A N -0.904 121.947 122.820 0.050 0.000 1.873 435 A HA 0.219 4.534 4.320 -0.009 0.000 0.219 435 A C 1.756 179.381 177.584 0.069 0.000 1.269 435 A CA 4.521 56.590 52.037 0.053 0.000 0.671 435 A CB -1.333 17.697 19.000 0.051 0.000 0.842 435 A HN 2.426 nan 8.150 nan 0.000 0.460 436 V N -3.632 116.333 119.914 0.086 0.000 2.656 436 V HA 0.579 4.694 4.120 -0.009 0.000 0.307 436 V C -0.559 175.601 176.094 0.110 0.000 1.051 436 V CA -1.408 60.964 62.300 0.120 0.000 0.893 436 V CB 1.637 33.560 31.823 0.167 0.000 0.999 436 V HN 0.374 nan 8.190 nan 0.000 0.426 437 K N 3.863 124.335 120.400 0.120 0.000 2.382 437 K HA 0.521 4.836 4.320 -0.009 0.000 0.275 437 K C -0.401 176.260 176.600 0.102 0.000 1.009 437 K CA -0.237 56.117 56.287 0.111 0.000 0.970 437 K CB 0.862 33.440 32.500 0.131 0.000 0.934 437 K HN 0.741 nan 8.250 nan 0.000 0.479 438 R N 1.269 121.819 120.500 0.085 0.000 2.836 438 R HA 0.487 4.822 4.340 -0.009 0.000 0.269 438 R C -0.689 175.645 176.300 0.057 0.000 1.010 438 R CA -1.034 55.104 56.100 0.065 0.000 0.930 438 R CB 1.285 31.606 30.300 0.035 0.000 1.218 438 R HN 0.366 nan 8.270 nan 0.000 0.473 439 I N 1.846 122.445 120.570 0.049 0.000 2.354 439 I HA 0.170 4.335 4.170 -0.009 0.000 0.292 439 I C -0.245 175.854 176.117 -0.031 0.000 0.989 439 I CA -0.760 60.556 61.300 0.027 0.000 1.188 439 I CB 1.267 39.281 38.000 0.024 0.000 1.342 439 I HN 0.512 nan 8.210 nan 0.000 0.457 440 N N 7.103 125.754 118.700 -0.082 0.000 2.415 440 N HA 0.089 4.824 4.740 -0.009 0.000 0.250 440 N C 0.833 176.237 175.510 -0.178 0.000 1.127 440 N CA -0.330 52.587 53.050 -0.220 0.000 0.945 440 N CB 0.939 39.143 38.487 -0.471 0.000 1.196 440 N HN 0.376 nan 8.380 nan 0.000 0.499 441 M N 2.362 121.867 119.600 -0.158 0.000 2.296 441 M HA -0.068 4.407 4.480 -0.009 0.000 0.265 441 M C 1.918 178.083 176.300 -0.226 0.000 1.064 441 M CA 0.701 55.925 55.300 -0.126 0.000 1.109 441 M CB -1.541 31.031 32.600 -0.047 0.000 1.396 441 M HN 0.597 nan 8.290 nan 0.000 0.430 442 A N -0.512 122.174 122.820 -0.224 0.000 1.898 442 A HA -0.167 4.148 4.320 -0.009 0.000 0.216 442 A C 1.984 179.360 177.584 -0.348 0.000 1.181 442 A CA 1.434 53.316 52.037 -0.259 0.000 0.620 442 A CB -1.104 17.955 19.000 0.098 0.000 0.819 442 A HN 0.601 nan 8.150 nan 0.000 0.442 443 H N -1.041 117.817 119.070 -0.353 0.000 2.389 443 H HA -0.017 4.534 4.556 -0.009 0.000 0.299 443 H C 2.118 177.207 175.328 -0.398 0.000 1.081 443 H CA 0.908 56.689 56.048 -0.446 0.000 1.345 443 H CB -0.045 29.672 29.762 -0.076 0.000 1.393 443 H HN 0.393 nan 8.280 nan 0.000 0.520 444 L N 0.391 121.524 121.223 -0.151 0.000 2.017 444 L HA -0.223 4.112 4.340 -0.009 0.000 0.208 444 L C 2.181 178.914 176.870 -0.227 0.000 1.073 444 L CA 1.284 56.037 54.840 -0.146 0.000 0.745 444 L CB -0.375 41.627 42.059 -0.095 0.000 0.894 444 L HN 0.433 nan 8.230 nan 0.000 0.432 445 C N 0.045 119.112 119.300 -0.388 0.000 2.429 445 C HA -0.158 4.296 4.460 -0.009 0.000 0.277 445 C C 2.658 177.398 174.990 -0.416 0.000 1.262 445 C CA 0.597 59.312 59.018 -0.504 0.000 1.733 445 C CB -0.739 26.333 27.740 -1.114 0.000 2.010 445 C HN 0.524 nan 8.230 nan 0.000 0.483 446 I N 1.396 121.668 120.570 -0.497 0.000 2.179 446 I HA -0.196 3.969 4.170 -0.009 0.000 0.242 446 I C 2.759 178.717 176.117 -0.266 0.000 1.088 446 I CA 1.634 62.681 61.300 -0.423 0.000 1.357 446 I CB -0.569 37.010 38.000 -0.702 0.000 1.051 446 I HN 0.264 nan 8.210 nan 0.000 0.409 447 A N 0.574 123.204 122.820 -0.317 0.000 1.933 447 A HA -0.105 4.209 4.320 -0.009 0.000 0.218 447 A C 2.193 179.826 177.584 0.081 0.000 1.175 447 A CA 1.896 53.793 52.037 -0.233 0.000 0.628 447 A CB -1.144 17.512 19.000 -0.573 0.000 0.814 447 A HN 0.482 nan 8.150 nan 0.000 0.444 448 G N -1.148 107.640 108.800 -0.020 0.000 3.371 448 G HA2 0.424 4.379 3.960 -0.009 0.000 0.248 448 G HA3 0.424 4.379 3.960 -0.009 0.000 0.248 448 G C 0.047 174.788 174.900 -0.265 0.000 1.161 448 G CA 0.451 45.420 45.100 -0.218 0.000 0.796 448 G HN 0.334 nan 8.290 nan 0.000 0.539 449 S N -0.328 115.271 115.700 -0.170 0.000 2.536 449 S HA 0.325 4.789 4.470 -0.009 0.000 0.298 449 S C 0.700 175.247 174.600 -0.089 0.000 1.083 449 S CA -0.721 57.405 58.200 -0.123 0.000 0.995 449 S CB 1.277 64.410 63.200 -0.112 0.000 1.058 449 S HN 0.505 nan 8.310 nan 0.000 0.488 450 H N -0.066 118.963 119.070 -0.068 0.000 2.548 450 H HA 0.503 5.053 4.556 -0.009 0.000 0.265 450 H C 0.110 175.417 175.328 -0.034 0.000 0.969 450 H CA 0.234 56.266 56.048 -0.027 0.000 1.155 450 H CB 0.152 29.913 29.762 -0.000 0.000 1.394 450 H HN 0.505 nan 8.280 nan 0.000 0.570 451 A N 1.014 123.515 122.820 -0.531 0.000 2.488 451 A HA 0.554 4.868 4.320 -0.009 0.000 0.298 451 A C -1.427 175.956 177.584 -0.336 0.000 1.044 451 A CA -0.574 51.212 52.037 -0.420 0.000 0.693 451 A CB 2.202 20.917 19.000 -0.476 0.000 1.272 451 A HN 0.096 nan 8.150 nan 0.000 0.402 452 V N 4.303 123.989 119.914 -0.381 0.000 2.531 452 V HA 0.542 4.656 4.120 -0.009 0.000 0.301 452 V C -0.744 175.180 176.094 -0.284 0.000 1.034 452 V CA -0.755 61.328 62.300 -0.360 0.000 0.865 452 V CB 1.789 33.257 31.823 -0.592 0.000 0.995 452 V HN 1.020 nan 8.190 nan 0.000 0.424 453 N N 3.148 121.701 118.700 -0.245 0.000 2.262 453 N HA 0.617 5.351 4.740 -0.009 0.000 0.295 453 N C -0.278 175.141 175.510 -0.152 0.000 1.161 453 N CA -0.381 52.563 53.050 -0.176 0.000 0.767 453 N CB 2.870 41.222 38.487 -0.224 0.000 1.499 453 N HN 0.629 nan 8.380 nan 0.000 0.476 454 G N -0.826 107.919 108.800 -0.092 0.000 2.511 454 G HA2 0.425 4.380 3.960 -0.009 0.000 0.316 454 G HA3 0.425 4.380 3.960 -0.009 0.000 0.316 454 G C 0.742 175.703 174.900 0.101 0.000 1.210 454 G CA -0.520 44.568 45.100 -0.019 0.000 0.969 454 G HN 0.620 nan 8.290 nan 0.000 0.492 455 V N -3.555 116.538 119.914 0.297 0.000 3.427 455 V HA 0.691 4.805 4.120 -0.009 0.000 0.305 455 V C 0.558 176.734 176.094 0.137 0.000 1.412 455 V CA 0.311 62.698 62.300 0.146 0.000 1.086 455 V CB -0.815 31.053 31.823 0.075 0.000 0.964 455 V HN 1.334 nan 8.190 nan 0.000 0.439 456 A N -0.107 122.803 122.820 0.151 0.000 2.594 456 A HA 0.626 4.941 4.320 -0.009 0.000 0.296 456 A C 0.680 178.314 177.584 0.082 0.000 1.056 456 A CA -0.117 51.986 52.037 0.110 0.000 0.693 456 A CB 1.201 20.257 19.000 0.093 0.000 1.278 456 A HN 0.032 nan 8.150 nan 0.000 0.408 457 R N 0.975 121.502 120.500 0.045 0.000 2.094 457 R HA -0.175 4.160 4.340 -0.009 0.000 0.239 457 R C 1.691 177.988 176.300 -0.005 0.000 1.137 457 R CA 2.355 58.459 56.100 0.007 0.000 0.943 457 R CB -0.246 30.053 30.300 -0.001 0.000 0.850 457 R HN 0.831 nan 8.270 nan 0.000 0.433 458 I N 0.236 120.813 120.570 0.011 0.000 2.286 458 I HA -0.292 3.872 4.170 -0.009 0.000 0.248 458 I C 2.319 178.444 176.117 0.013 0.000 1.115 458 I CA 1.859 63.158 61.300 -0.001 0.000 1.392 458 I CB -0.217 37.782 38.000 -0.001 0.000 1.065 458 I HN 0.358 nan 8.210 nan 0.000 0.418 459 H N 0.226 119.264 119.070 -0.053 0.000 2.326 459 H HA -0.094 4.456 4.556 -0.009 0.000 0.301 459 H C 2.256 177.540 175.328 -0.073 0.000 1.081 459 H CA 2.132 58.140 56.048 -0.066 0.000 1.334 459 H CB -0.261 29.469 29.762 -0.054 0.000 1.385 459 H HN 0.224 nan 8.280 nan 0.000 0.504 460 S N 0.353 115.924 115.700 -0.215 0.000 2.399 460 S HA -0.116 4.349 4.470 -0.009 0.000 0.231 460 S C 1.856 176.323 174.600 -0.221 0.000 1.022 460 S CA 1.172 59.221 58.200 -0.252 0.000 0.983 460 S CB -0.058 63.073 63.200 -0.115 0.000 0.803 460 S HN 0.481 nan 8.310 nan 0.000 0.480 461 E N 1.153 121.251 120.200 -0.171 0.000 2.107 461 E HA 0.036 4.381 4.350 -0.009 0.000 0.191 461 E C 2.006 178.488 176.600 -0.196 0.000 0.982 461 E CA 0.581 56.873 56.400 -0.179 0.000 0.809 461 E CB -0.318 29.310 29.700 -0.120 0.000 0.756 461 E HN 0.506 nan 8.360 nan 0.000 0.459 462 I N 0.961 121.428 120.570 -0.171 0.000 2.286 462 I HA -0.260 3.905 4.170 -0.009 0.000 0.248 462 I C 2.407 178.393 176.117 -0.219 0.000 1.115 462 I CA 0.722 61.927 61.300 -0.158 0.000 1.392 462 I CB -0.227 37.711 38.000 -0.103 0.000 1.065 462 I HN 0.062 nan 8.210 nan 0.000 0.418 463 L N 0.525 121.568 121.223 -0.299 0.000 2.042 463 L HA -0.243 4.092 4.340 -0.009 0.000 0.210 463 L C 2.465 179.190 176.870 -0.241 0.000 1.076 463 L CA 1.656 56.307 54.840 -0.316 0.000 0.749 463 L CB -0.539 41.364 42.059 -0.260 0.000 0.893 463 L HN 0.214 nan 8.230 nan 0.000 0.432 464 K N -0.151 120.048 120.400 -0.334 0.000 2.288 464 K HA -0.104 4.210 4.320 -0.009 0.000 0.201 464 K C 1.903 178.318 176.600 -0.308 0.000 1.048 464 K CA 0.838 56.820 56.287 -0.509 0.000 0.956 464 K CB 0.091 32.047 32.500 -0.907 0.000 0.746 464 K HN 0.328 nan 8.250 nan 0.000 0.461 465 K N -0.029 120.242 120.400 -0.215 0.000 2.323 465 K HA -0.002 4.313 4.320 -0.009 0.000 0.197 465 K C 1.757 178.308 176.600 -0.081 0.000 1.043 465 K CA 1.144 57.356 56.287 -0.126 0.000 0.997 465 K CB 0.565 32.999 32.500 -0.111 0.000 0.807 465 K HN 0.220 nan 8.250 nan 0.000 0.497 466 T N -0.949 113.548 114.554 -0.095 0.000 2.709 466 T HA 0.081 4.426 4.350 -0.009 0.000 0.174 466 T C 1.904 176.584 174.700 -0.033 0.000 0.774 466 T CA -0.066 61.996 62.100 -0.064 0.000 1.309 466 T CB -0.781 68.039 68.868 -0.080 0.000 2.586 466 T HN 0.096 nan 8.240 nan 0.000 0.401 467 I N -0.764 119.747 120.570 -0.098 0.000 2.315 467 I HA 0.039 4.203 4.170 -0.009 0.000 0.251 467 I C 1.612 177.862 176.117 0.222 0.000 1.125 467 I CA 1.688 62.954 61.300 -0.057 0.000 1.392 467 I CB -0.707 37.113 38.000 -0.300 0.000 1.065 467 I HN 0.296 nan 8.210 nan 0.000 0.424 468 F N 0.760 120.780 119.950 0.117 0.000 2.668 468 F HA 0.283 4.804 4.527 -0.009 0.000 0.301 468 F C 2.096 177.967 175.800 0.119 0.000 1.106 468 F CA -0.658 57.476 58.000 0.224 0.000 1.289 468 F CB 0.174 39.277 39.000 0.172 0.000 1.006 468 F HN -0.045 nan 8.300 nan 0.000 0.535 469 K N 1.154 121.671 120.400 0.197 0.000 2.044 469 K HA -0.222 4.092 4.320 -0.009 0.000 0.210 469 K C 1.357 178.003 176.600 0.077 0.000 1.049 469 K CA 2.243 58.582 56.287 0.087 0.000 0.927 469 K CB -0.029 32.491 32.500 0.032 0.000 0.713 469 K HN 0.146 nan 8.250 nan 0.000 0.443 470 D N -0.171 120.237 120.400 0.013 0.000 2.149 470 D HA -0.164 4.470 4.640 -0.009 0.000 0.198 470 D C 1.840 178.029 176.300 -0.185 0.000 0.990 470 D CA 1.230 55.110 54.000 -0.201 0.000 0.839 470 D CB -0.287 40.287 40.800 -0.377 0.000 0.948 470 D HN 0.243 nan 8.370 nan 0.000 0.460 471 F N -0.026 119.988 119.950 0.105 0.000 2.186 471 F HA -0.148 4.373 4.527 -0.009 0.000 0.299 471 F C 2.355 178.309 175.800 0.257 0.000 1.090 471 F CA 0.532 58.672 58.000 0.234 0.000 1.307 471 F CB -0.729 38.458 39.000 0.311 0.000 1.019 471 F HN -0.034 nan 8.300 nan 0.000 0.489 472 Y N 1.450 121.748 120.300 -0.004 0.000 2.224 472 Y HA -0.191 4.353 4.550 -0.009 0.000 0.289 472 Y C 2.057 177.970 175.900 0.021 0.000 1.146 472 Y CA 1.615 59.565 58.100 -0.252 0.000 1.182 472 Y CB -0.633 37.490 38.460 -0.561 0.000 0.983 472 Y HN 0.164 nan 8.280 nan 0.000 0.524 473 E N -0.525 119.620 120.200 -0.091 0.000 2.208 473 E HA -0.157 4.187 4.350 -0.009 0.000 0.193 473 E C 1.932 178.590 176.600 0.097 0.000 0.988 473 E CA 1.058 57.409 56.400 -0.080 0.000 0.828 473 E CB -0.195 29.500 29.700 -0.008 0.000 0.763 473 E HN 0.432 nan 8.360 nan 0.000 0.478 474 L N 0.935 122.255 121.223 0.161 0.000 2.127 474 L HA -0.002 4.332 4.340 -0.009 0.000 0.203 474 L C 0.267 177.234 176.870 0.161 0.000 1.080 474 L CA 1.603 56.578 54.840 0.224 0.000 0.768 474 L CB 0.445 42.637 42.059 0.221 0.000 0.924 474 L HN -0.132 nan 8.230 nan 0.000 0.444 475 E N 0.266 120.559 120.200 0.155 0.000 3.386 475 E HA 0.189 4.533 4.350 -0.009 0.000 0.236 475 E C -2.008 174.537 176.600 -0.091 0.000 1.227 475 E CA -1.272 55.132 56.400 0.006 0.000 0.970 475 E CB 0.771 30.456 29.700 -0.024 0.000 1.343 475 E HN 0.209 nan 8.360 nan 0.000 0.397 476 P HA -0.258 nan 4.420 nan 0.000 0.218 476 P C 1.195 178.603 177.300 0.181 0.000 1.148 476 P CA 1.446 64.490 63.100 -0.092 0.000 0.822 476 P CB -0.031 31.475 31.700 -0.323 0.000 0.784 477 H N 0.297 119.471 119.070 0.175 0.000 2.489 477 H HA 0.045 4.596 4.556 -0.009 0.000 0.293 477 H C 1.499 176.908 175.328 0.135 0.000 1.066 477 H CA 0.854 56.990 56.048 0.146 0.000 1.305 477 H CB -0.793 29.025 29.762 0.094 0.000 1.386 477 H HN 0.174 nan 8.280 nan 0.000 0.551 478 K N 0.278 120.514 120.400 -0.273 0.000 2.217 478 K HA 0.029 4.344 4.320 -0.009 0.000 0.202 478 K C -0.131 176.279 176.600 -0.316 0.000 1.051 478 K CA 0.250 56.371 56.287 -0.276 0.000 0.952 478 K CB 0.065 32.282 32.500 -0.471 0.000 0.736 478 K HN 0.100 nan 8.250 nan 0.000 0.453 479 F N 1.860 121.832 119.950 0.037 0.000 2.445 479 F HA 0.157 4.678 4.527 -0.009 0.000 0.359 479 F C 0.520 176.321 175.800 0.002 0.000 1.101 479 F CA -0.068 57.959 58.000 0.045 0.000 1.177 479 F CB 0.834 39.914 39.000 0.134 0.000 1.110 479 F HN -0.091 nan 8.300 nan 0.000 0.522 480 Q N 1.792 121.621 119.800 0.048 0.000 2.605 480 Q HA 0.380 4.714 4.340 -0.009 0.000 0.296 480 Q C -1.164 174.797 176.000 -0.064 0.000 1.056 480 Q CA -1.288 54.498 55.803 -0.028 0.000 0.778 480 Q CB 3.089 31.756 28.738 -0.118 0.000 1.497 480 Q HN 0.626 nan 8.270 nan 0.000 0.443 481 N N 0.558 119.200 118.700 -0.097 0.000 2.238 481 N HA 0.296 5.030 4.740 -0.009 0.000 0.302 481 N C -1.536 173.878 175.510 -0.160 0.000 1.072 481 N CA -0.412 52.579 53.050 -0.099 0.000 0.792 481 N CB 1.181 39.632 38.487 -0.061 0.000 1.425 481 N HN 0.288 nan 8.380 nan 0.000 0.478 482 K N 2.656 122.966 120.400 -0.150 0.000 2.723 482 K HA 0.181 4.495 4.320 -0.009 0.000 0.229 482 K C -1.001 175.607 176.600 0.013 0.000 1.022 482 K CA -0.467 55.705 56.287 -0.191 0.000 1.045 482 K CB 1.176 33.344 32.500 -0.553 0.000 1.227 482 K HN 0.559 nan 8.250 nan 0.000 0.516 483 T N 1.983 116.561 114.554 0.040 0.000 2.902 483 T HA 0.055 4.399 4.350 -0.009 0.000 0.301 483 T C 0.830 175.654 174.700 0.206 0.000 1.012 483 T CA 0.381 62.554 62.100 0.122 0.000 1.151 483 T CB 0.334 69.273 68.868 0.117 0.000 0.946 483 T HN 0.352 nan 8.240 nan 0.000 0.542 484 N N 0.473 119.318 118.700 0.242 0.000 2.297 484 N HA 0.424 5.159 4.740 -0.009 0.000 0.232 484 N C 0.468 176.163 175.510 0.310 0.000 1.311 484 N CA -0.187 53.040 53.050 0.296 0.000 0.897 484 N CB 0.381 38.986 38.487 0.196 0.000 1.137 484 N HN 0.764 nan 8.380 nan 0.000 0.449 485 G N -0.747 108.242 108.800 0.316 0.000 2.649 485 G HA2 0.580 4.535 3.960 -0.009 0.000 0.290 485 G HA3 0.580 4.535 3.960 -0.009 0.000 0.290 485 G C -1.482 173.554 174.900 0.226 0.000 1.426 485 G CA -0.736 44.536 45.100 0.287 0.000 0.794 485 G HN 0.597 nan 8.290 nan 0.000 0.483 486 I N -2.312 118.376 120.570 0.196 0.000 2.828 486 I HA 0.753 4.917 4.170 -0.009 0.000 0.302 486 I C -0.248 176.028 176.117 0.265 0.000 1.101 486 I CA -0.948 60.462 61.300 0.183 0.000 1.031 486 I CB 2.426 40.423 38.000 -0.004 0.000 1.231 486 I HN 0.513 nan 8.210 nan 0.000 0.427 487 T N 4.306 119.069 114.554 0.348 0.000 2.814 487 T HA 0.342 4.687 4.350 -0.009 0.000 0.297 487 T C -1.371 173.447 174.700 0.196 0.000 0.956 487 T CA -1.558 60.670 62.100 0.213 0.000 1.123 487 T CB 0.750 69.688 68.868 0.118 0.000 0.902 487 T HN 0.649 nan 8.240 nan 0.000 0.528 488 P HA 0.049 nan 4.420 nan 0.000 0.237 488 P C 1.030 178.299 177.300 -0.052 0.000 1.178 488 P CA 0.278 63.415 63.100 0.060 0.000 0.766 488 P CB 0.388 32.109 31.700 0.035 0.000 0.876 489 R N 0.517 120.941 120.500 -0.125 0.000 2.056 489 R HA 0.030 4.364 4.340 -0.009 0.000 0.227 489 R C 2.710 178.892 176.300 -0.197 0.000 1.149 489 R CA 1.498 57.482 56.100 -0.193 0.000 0.937 489 R CB -1.240 28.951 30.300 -0.182 0.000 0.835 489 R HN 0.034 nan 8.270 nan 0.000 0.430 490 R N -0.731 119.592 120.500 -0.295 0.000 2.075 490 R HA -0.118 4.217 4.340 -0.009 0.000 0.232 490 R C 1.027 176.959 176.300 -0.613 0.000 1.126 490 R CA 1.601 57.371 56.100 -0.550 0.000 0.963 490 R CB -0.183 29.606 30.300 -0.851 0.000 0.858 490 R HN 0.291 nan 8.270 nan 0.000 0.435 491 W N -0.034 121.222 121.300 -0.073 0.000 3.405 491 W HA 0.143 4.797 4.660 -0.010 0.000 0.300 491 W C 0.923 177.412 176.519 -0.051 0.000 1.286 491 W CA -0.655 56.646 57.345 -0.073 0.000 1.762 491 W CB 0.366 29.785 29.460 -0.068 0.000 1.087 491 W HN 0.240 nan 8.180 nan 0.000 0.703 492 L N -2.465 118.806 121.223 0.079 0.000 2.376 492 L HA 0.168 4.502 4.340 -0.009 0.000 0.153 492 L C 1.717 178.603 176.870 0.027 0.000 1.272 492 L CA 0.711 55.599 54.840 0.080 0.000 1.005 492 L CB -0.833 41.299 42.059 0.123 0.000 2.027 492 L HN -0.262 nan 8.230 nan 0.000 0.495 493 V N 1.268 121.176 119.914 -0.010 0.000 2.287 493 V HA -0.263 3.851 4.120 -0.009 0.000 0.248 493 V C 2.430 178.497 176.094 -0.044 0.000 1.053 493 V CA 2.493 64.779 62.300 -0.025 0.000 1.027 493 V CB -0.648 31.133 31.823 -0.070 0.000 0.646 493 V HN 0.514 nan 8.190 nan 0.000 0.447 494 L N 0.488 121.654 121.223 -0.095 0.000 2.023 494 L HA -0.176 4.158 4.340 -0.009 0.000 0.205 494 L C 2.526 179.332 176.870 -0.106 0.000 1.073 494 L CA 2.371 57.140 54.840 -0.119 0.000 0.745 494 L CB -0.280 41.658 42.059 -0.201 0.000 0.900 494 L HN 0.644 nan 8.230 nan 0.000 0.435 495 C N -1.552 117.677 119.300 -0.119 0.000 2.514 495 C HA 0.169 4.624 4.460 -0.009 0.000 0.271 495 C C 1.232 176.206 174.990 -0.026 0.000 1.399 495 C CA -0.216 58.754 59.018 -0.080 0.000 1.765 495 C CB -1.080 26.611 27.740 -0.081 0.000 1.893 495 C HN 0.607 nan 8.230 nan 0.000 0.531 496 N N 1.134 119.829 118.700 -0.007 0.000 2.703 496 N HA 0.270 5.005 4.740 -0.009 0.000 0.283 496 N C -1.648 173.875 175.510 0.022 0.000 1.851 496 N CA -1.613 51.445 53.050 0.013 0.000 0.826 496 N CB 0.688 39.192 38.487 0.028 0.000 1.239 496 N HN 0.259 nan 8.380 nan 0.000 0.495 497 P HA -0.077 nan 4.420 nan 0.000 0.218 497 P C 1.401 178.719 177.300 0.029 0.000 1.148 497 P CA 0.995 64.108 63.100 0.021 0.000 0.822 497 P CB 0.222 31.927 31.700 0.008 0.000 0.784 498 G N 0.637 109.449 108.800 0.020 0.000 2.446 498 G HA2 -0.254 3.701 3.960 -0.009 0.000 0.217 498 G HA3 -0.254 3.701 3.960 -0.009 0.000 0.217 498 G C 1.542 176.454 174.900 0.019 0.000 1.168 498 G CA 0.745 45.854 45.100 0.016 0.000 0.771 498 G HN 0.263 nan 8.290 nan 0.000 0.551 499 L N 1.203 122.439 121.223 0.023 0.000 2.072 499 L HA 0.290 4.625 4.340 -0.009 0.000 0.205 499 L C 3.046 179.951 176.870 0.058 0.000 1.079 499 L CA 1.946 56.799 54.840 0.023 0.000 0.752 499 L CB -0.696 41.376 42.059 0.022 0.000 0.906 499 L HN 0.224 nan 8.230 nan 0.000 0.436 500 A N -0.779 122.096 122.820 0.092 0.000 1.940 500 A HA -0.243 4.071 4.320 -0.009 0.000 0.219 500 A C 2.226 179.909 177.584 0.165 0.000 1.176 500 A CA 1.774 53.918 52.037 0.178 0.000 0.631 500 A CB -0.630 18.465 19.000 0.158 0.000 0.814 500 A HN 0.533 nan 8.150 nan 0.000 0.446 501 E N 0.745 121.003 120.200 0.096 0.000 2.028 501 E HA -0.164 4.180 4.350 -0.009 0.000 0.191 501 E C 1.872 178.512 176.600 0.067 0.000 0.988 501 E CA 1.652 58.098 56.400 0.076 0.000 0.799 501 E CB -0.527 29.199 29.700 0.045 0.000 0.755 501 E HN 0.725 nan 8.360 nan 0.000 0.447 502 I N -1.567 119.039 120.570 0.058 0.000 2.454 502 I HA -0.162 4.002 4.170 -0.009 0.000 0.254 502 I C 2.152 178.334 176.117 0.109 0.000 1.156 502 I CA 1.168 62.515 61.300 0.079 0.000 1.433 502 I CB -0.390 37.649 38.000 0.064 0.000 1.082 502 I HN 0.033 nan 8.210 nan 0.000 0.432 503 I N 1.882 122.496 120.570 0.072 0.000 2.233 503 I HA -0.158 4.007 4.170 -0.009 0.000 0.243 503 I C 3.019 179.083 176.117 -0.087 0.000 1.093 503 I CA 1.227 62.496 61.300 -0.052 0.000 1.380 503 I CB -0.445 37.411 38.000 -0.240 0.000 1.067 503 I HN 0.282 nan 8.210 nan 0.000 0.413 504 A N 0.448 123.311 122.820 0.072 0.000 1.972 504 A HA -0.225 4.089 4.320 -0.009 0.000 0.219 504 A C 2.148 179.762 177.584 0.050 0.000 1.169 504 A CA 1.571 53.704 52.037 0.161 0.000 0.635 504 A CB -0.588 18.539 19.000 0.212 0.000 0.810 504 A HN 0.434 nan 8.150 nan 0.000 0.446 505 E N -0.693 119.516 120.200 0.015 0.000 2.160 505 E HA -0.200 4.144 4.350 -0.009 0.000 0.195 505 E C 2.210 178.768 176.600 -0.070 0.000 0.991 505 E CA 1.133 57.525 56.400 -0.013 0.000 0.810 505 E CB -0.043 29.653 29.700 -0.007 0.000 0.742 505 E HN 0.504 nan 8.360 nan 0.000 0.466 506 R N 0.063 120.465 120.500 -0.164 0.000 2.123 506 R HA 0.093 4.427 4.340 -0.009 0.000 0.209 506 R C 2.312 178.533 176.300 -0.131 0.000 1.078 506 R CA 0.824 56.753 56.100 -0.286 0.000 1.028 506 R CB -0.146 29.668 30.300 -0.811 0.000 0.939 506 R HN 0.302 nan 8.270 nan 0.000 0.463 507 I N -2.736 117.774 120.570 -0.100 0.000 4.081 507 I HA 0.433 4.597 4.170 -0.009 0.000 0.333 507 I C 0.392 176.551 176.117 0.069 0.000 1.413 507 I CA 0.039 61.337 61.300 -0.004 0.000 1.110 507 I CB 0.787 38.774 38.000 -0.021 0.000 1.082 507 I HN 0.174 nan 8.210 nan 0.000 0.402 508 G N 2.189 111.041 108.800 0.085 0.000 2.660 508 G HA2 -0.204 3.750 3.960 -0.009 0.000 0.247 508 G HA3 -0.204 3.750 3.960 -0.009 0.000 0.247 508 G C -0.080 174.955 174.900 0.225 0.000 1.328 508 G CA 0.108 45.281 45.100 0.121 0.000 0.884 508 G HN 0.451 nan 8.290 nan 0.000 0.531 509 E N -0.353 119.929 120.200 0.137 0.000 2.472 509 E HA 0.074 4.419 4.350 -0.009 0.000 0.196 509 E C 1.827 178.386 176.600 -0.068 0.000 1.033 509 E CA 0.011 56.435 56.400 0.041 0.000 0.886 509 E CB 0.303 30.015 29.700 0.019 0.000 0.944 509 E HN 0.454 nan 8.360 nan 0.000 0.492 510 E N 0.798 121.025 120.200 0.046 0.000 2.209 510 E HA -0.200 4.145 4.350 -0.009 0.000 0.196 510 E C 1.781 178.379 176.600 -0.003 0.000 0.993 510 E CA 1.038 57.455 56.400 0.029 0.000 0.819 510 E CB -0.086 29.654 29.700 0.066 0.000 0.745 510 E HN 0.537 nan 8.360 nan 0.000 0.477 511 Y N -0.883 119.422 120.300 0.007 0.000 2.333 511 Y HA -0.059 4.486 4.550 -0.008 0.000 0.290 511 Y C 2.023 177.898 175.900 -0.041 0.000 1.144 511 Y CA 0.648 58.743 58.100 -0.007 0.000 1.228 511 Y CB -0.866 37.594 38.460 0.001 0.000 0.985 511 Y HN -0.081 nan 8.280 nan 0.000 0.542 512 I N 0.976 121.042 120.570 -0.840 0.000 2.423 512 I HA -0.252 3.913 4.170 -0.009 0.000 0.254 512 I C 1.709 177.554 176.117 -0.454 0.000 1.151 512 I CA 1.897 62.761 61.300 -0.726 0.000 1.421 512 I CB -0.421 37.073 38.000 -0.843 0.000 1.079 512 I HN 0.508 nan 8.210 nan 0.000 0.431 513 S N -2.171 113.376 115.700 -0.257 0.000 2.730 513 S HA 0.168 4.633 4.470 -0.009 0.000 0.244 513 S C 0.148 174.725 174.600 -0.037 0.000 1.022 513 S CA -0.490 57.638 58.200 -0.120 0.000 1.014 513 S CB 0.369 63.574 63.200 0.007 0.000 0.963 513 S HN 0.295 nan 8.310 nan 0.000 0.540 514 D N 0.662 121.049 120.400 -0.021 0.000 3.118 514 D HA 0.228 4.863 4.640 -0.009 0.000 0.259 514 D C 0.417 176.756 176.300 0.064 0.000 1.292 514 D CA -0.378 53.636 54.000 0.023 0.000 0.784 514 D CB 0.330 41.150 40.800 0.032 0.000 1.413 514 D HN 0.092 nan 8.370 nan 0.000 0.583 515 L N 1.141 122.402 121.223 0.064 0.000 2.261 515 L HA -0.065 4.269 4.340 -0.009 0.000 0.216 515 L C 1.467 178.389 176.870 0.087 0.000 1.114 515 L CA 1.643 56.551 54.840 0.114 0.000 0.777 515 L CB -0.107 42.011 42.059 0.098 0.000 0.910 515 L HN 0.297 nan 8.230 nan 0.000 0.440 516 D N -0.862 119.565 120.400 0.045 0.000 2.265 516 D HA -0.218 4.417 4.640 -0.009 0.000 0.208 516 D C 1.907 178.228 176.300 0.036 0.000 0.977 516 D CA 0.821 54.834 54.000 0.021 0.000 0.871 516 D CB 0.052 40.851 40.800 -0.001 0.000 0.925 516 D HN 0.566 nan 8.370 nan 0.000 0.485 517 Q N -0.026 119.814 119.800 0.066 0.000 2.439 517 Q HA -0.036 4.299 4.340 -0.009 0.000 0.211 517 Q C 2.245 178.268 176.000 0.038 0.000 0.978 517 Q CA 0.195 56.038 55.803 0.066 0.000 0.897 517 Q CB 0.047 28.852 28.738 0.111 0.000 0.956 517 Q HN 0.384 nan 8.270 nan 0.000 0.483 518 L N 0.075 121.317 121.223 0.031 0.000 2.353 518 L HA -0.174 4.160 4.340 -0.009 0.000 0.220 518 L C 2.408 179.279 176.870 0.002 0.000 1.133 518 L CA 0.789 55.615 54.840 -0.023 0.000 0.798 518 L CB -0.342 41.717 42.059 -0.001 0.000 0.922 518 L HN 0.193 nan 8.230 nan 0.000 0.445 519 R N 0.748 121.256 120.500 0.014 0.000 2.241 519 R HA -0.156 4.179 4.340 -0.009 0.000 0.224 519 R C 2.010 178.315 176.300 0.009 0.000 1.101 519 R CA 0.991 57.099 56.100 0.013 0.000 0.995 519 R CB 0.063 30.366 30.300 0.005 0.000 0.870 519 R HN 0.307 nan 8.270 nan 0.000 0.463 520 K N 0.145 120.550 120.400 0.009 0.000 2.362 520 K HA -0.069 4.245 4.320 -0.009 0.000 0.200 520 K C 1.630 178.260 176.600 0.050 0.000 1.046 520 K CA 0.694 56.989 56.287 0.014 0.000 0.952 520 K CB 0.066 32.583 32.500 0.027 0.000 0.753 520 K HN 0.268 nan 8.250 nan 0.000 0.466 521 L N 0.618 121.873 121.223 0.053 0.000 2.465 521 L HA -0.127 4.207 4.340 -0.009 0.000 0.224 521 L C 1.798 178.738 176.870 0.116 0.000 1.145 521 L CA 0.027 54.928 54.840 0.102 0.000 0.834 521 L CB -0.213 41.869 42.059 0.038 0.000 0.944 521 L HN 0.122 nan 8.230 nan 0.000 0.451 522 L N 0.055 121.306 121.223 0.047 0.000 2.131 522 L HA -0.177 4.158 4.340 -0.009 0.000 0.210 522 L C 2.702 179.553 176.870 -0.032 0.000 1.092 522 L CA 1.890 56.744 54.840 0.024 0.000 0.759 522 L CB -0.790 41.270 42.059 0.002 0.000 0.903 522 L HN 0.349 nan 8.230 nan 0.000 0.435 523 S N -2.593 113.025 115.700 -0.137 0.000 2.603 523 S HA -0.097 4.368 4.470 -0.009 0.000 0.229 523 S C 1.177 175.507 174.600 -0.451 0.000 0.972 523 S CA 0.373 58.392 58.200 -0.301 0.000 0.935 523 S CB -0.556 62.395 63.200 -0.415 0.000 0.769 523 S HN 0.462 nan 8.310 nan 0.000 0.536 524 Y N -0.472 119.772 120.300 -0.094 0.000 2.557 524 Y HA 0.428 4.975 4.550 -0.004 0.000 0.247 524 Y C 1.903 177.851 175.900 0.079 0.000 1.164 524 Y CA -0.682 57.362 58.100 -0.092 0.000 1.218 524 Y CB 0.124 38.335 38.460 -0.415 0.000 1.210 524 Y HN 0.256 nan 8.280 nan 0.000 0.529 525 V N 0.407 120.424 119.914 0.170 0.000 2.720 525 V HA -0.214 3.900 4.120 -0.009 0.000 0.256 525 V C 0.904 177.074 176.094 0.127 0.000 1.082 525 V CA 2.271 64.668 62.300 0.162 0.000 1.101 525 V CB -0.007 31.869 31.823 0.088 0.000 0.693 525 V HN 0.320 nan 8.190 nan 0.000 0.479 526 D N -0.668 119.789 120.400 0.095 0.000 2.395 526 D HA 0.131 4.765 4.640 -0.009 0.000 0.213 526 D C 0.247 176.603 176.300 0.092 0.000 1.110 526 D CA -0.006 54.036 54.000 0.071 0.000 0.835 526 D CB 0.128 40.946 40.800 0.031 0.000 0.965 526 D HN 0.433 nan 8.370 nan 0.000 0.505 527 D N 1.328 121.821 120.400 0.156 0.000 2.336 527 D HA -0.006 4.628 4.640 -0.009 0.000 0.249 527 D C 1.220 177.627 176.300 0.179 0.000 1.213 527 D CA -0.051 54.061 54.000 0.185 0.000 0.870 527 D CB 1.442 42.426 40.800 0.306 0.000 1.076 527 D HN -0.227 nan 8.370 nan 0.000 0.483 528 E N 3.081 123.350 120.200 0.115 0.000 2.118 528 E HA -0.161 4.183 4.350 -0.009 0.000 0.195 528 E C 1.721 178.373 176.600 0.087 0.000 0.992 528 E CA 1.463 57.913 56.400 0.084 0.000 0.804 528 E CB -0.029 29.704 29.700 0.055 0.000 0.741 528 E HN 0.594 nan 8.360 nan 0.000 0.458 529 A N -0.386 122.500 122.820 0.110 0.000 1.873 529 A HA -0.139 4.176 4.320 -0.009 0.000 0.215 529 A C 2.230 179.894 177.584 0.134 0.000 1.186 529 A CA 1.305 53.403 52.037 0.101 0.000 0.616 529 A CB -0.937 18.124 19.000 0.101 0.000 0.823 529 A HN 0.430 nan 8.150 nan 0.000 0.442 530 F N 0.414 120.368 119.950 0.007 0.000 2.102 530 F HA -0.143 4.380 4.527 -0.008 0.000 0.298 530 F C 2.062 177.861 175.800 -0.002 0.000 1.105 530 F CA 1.576 59.563 58.000 -0.021 0.000 1.239 530 F CB -0.099 38.890 39.000 -0.019 0.000 0.991 530 F HN 0.157 nan 8.300 nan 0.000 0.474 531 I N 0.188 120.778 120.570 0.034 0.000 2.208 531 I HA -0.352 3.813 4.170 -0.009 0.000 0.245 531 I C 2.558 178.615 176.117 -0.100 0.000 1.097 531 I CA 1.631 62.896 61.300 -0.060 0.000 1.363 531 I CB -0.493 37.525 38.000 0.030 0.000 1.051 531 I HN 0.126 nan 8.210 nan 0.000 0.413 532 R N 0.867 121.336 120.500 -0.052 0.000 2.075 532 R HA -0.170 4.165 4.340 -0.009 0.000 0.232 532 R C 1.876 178.124 176.300 -0.087 0.000 1.126 532 R CA 1.712 57.781 56.100 -0.052 0.000 0.963 532 R CB -0.081 30.208 30.300 -0.018 0.000 0.858 532 R HN 0.282 nan 8.270 nan 0.000 0.435 533 D N -0.237 120.094 120.400 -0.115 0.000 2.117 533 D HA -0.122 4.512 4.640 -0.009 0.000 0.198 533 D C 1.937 178.116 176.300 -0.202 0.000 0.982 533 D CA 1.182 55.104 54.000 -0.131 0.000 0.828 533 D CB -0.181 40.560 40.800 -0.098 0.000 0.967 533 D HN 0.083 nan 8.370 nan 0.000 0.464 534 V N 1.556 121.255 119.914 -0.359 0.000 2.287 534 V HA -0.253 3.862 4.120 -0.009 0.000 0.248 534 V C 2.529 178.528 176.094 -0.158 0.000 1.053 534 V CA 1.937 64.036 62.300 -0.335 0.000 1.027 534 V CB -0.775 30.768 31.823 -0.467 0.000 0.646 534 V HN 0.191 nan 8.190 nan 0.000 0.447 535 A N -0.670 122.076 122.820 -0.123 0.000 1.969 535 A HA -0.228 4.086 4.320 -0.009 0.000 0.218 535 A C 2.343 179.889 177.584 -0.065 0.000 1.169 535 A CA 1.980 53.978 52.037 -0.066 0.000 0.635 535 A CB -0.430 18.535 19.000 -0.058 0.000 0.810 535 A HN 0.529 nan 8.150 nan 0.000 0.445 536 K N -0.198 120.160 120.400 -0.071 0.000 2.057 536 K HA -0.071 4.243 4.320 -0.009 0.000 0.206 536 K C 1.815 178.388 176.600 -0.045 0.000 1.050 536 K CA 1.483 57.738 56.287 -0.054 0.000 0.935 536 K CB -0.235 32.236 32.500 -0.048 0.000 0.715 536 K HN 0.226 nan 8.250 nan 0.000 0.439 537 V N 1.792 121.674 119.914 -0.053 0.000 2.287 537 V HA -0.256 3.859 4.120 -0.009 0.000 0.248 537 V C 2.374 178.453 176.094 -0.024 0.000 1.053 537 V CA 2.032 64.311 62.300 -0.035 0.000 1.027 537 V CB -0.491 31.306 31.823 -0.043 0.000 0.646 537 V HN 0.350 nan 8.190 nan 0.000 0.447 538 K N 0.532 120.915 120.400 -0.028 0.000 2.032 538 K HA -0.239 4.075 4.320 -0.009 0.000 0.209 538 K C 2.172 178.745 176.600 -0.045 0.000 1.048 538 K CA 1.894 58.170 56.287 -0.019 0.000 0.927 538 K CB -0.549 31.953 32.500 0.003 0.000 0.712 538 K HN 0.393 nan 8.250 nan 0.000 0.441 539 Q N 0.997 120.763 119.800 -0.056 0.000 2.084 539 Q HA -0.128 4.206 4.340 -0.009 0.000 0.202 539 Q C 1.685 177.663 176.000 -0.036 0.000 0.978 539 Q CA 2.058 57.820 55.803 -0.069 0.000 0.844 539 Q CB -0.108 28.593 28.738 -0.062 0.000 0.898 539 Q HN 0.537 nan 8.270 nan 0.000 0.426 540 E N -0.531 119.660 120.200 -0.015 0.000 2.077 540 E HA -0.152 4.192 4.350 -0.009 0.000 0.193 540 E C 1.788 178.410 176.600 0.037 0.000 0.989 540 E CA 0.964 57.370 56.400 0.010 0.000 0.800 540 E CB -0.084 29.620 29.700 0.007 0.000 0.746 540 E HN 0.406 nan 8.360 nan 0.000 0.452 541 N N 1.089 119.808 118.700 0.032 0.000 2.120 541 N HA -0.141 4.593 4.740 -0.009 0.000 0.188 541 N C 1.518 177.105 175.510 0.128 0.000 1.024 541 N CA 1.089 54.179 53.050 0.067 0.000 0.852 541 N CB -0.102 38.408 38.487 0.040 0.000 1.003 541 N HN 0.139 nan 8.380 nan 0.000 0.424 542 K N 0.569 121.007 120.400 0.064 0.000 2.097 542 K HA 0.016 4.330 4.320 -0.009 0.000 0.205 542 K C 2.098 178.824 176.600 0.211 0.000 1.050 542 K CA 0.603 56.945 56.287 0.093 0.000 0.938 542 K CB -0.106 32.188 32.500 -0.343 0.000 0.718 542 K HN 0.128 nan 8.250 nan 0.000 0.442 543 L N 1.086 122.377 121.223 0.113 0.000 2.056 543 L HA -0.172 4.162 4.340 -0.009 0.000 0.207 543 L C 2.616 179.578 176.870 0.154 0.000 1.078 543 L CA 1.235 56.145 54.840 0.117 0.000 0.749 543 L CB -0.302 41.794 42.059 0.061 0.000 0.901 543 L HN 0.162 nan 8.230 nan 0.000 0.433 544 K N -0.223 120.273 120.400 0.161 0.000 2.097 544 K HA -0.234 4.081 4.320 -0.009 0.000 0.206 544 K C 2.172 178.927 176.600 0.258 0.000 1.049 544 K CA 1.517 57.909 56.287 0.175 0.000 0.933 544 K CB -0.125 32.465 32.500 0.150 0.000 0.717 544 K HN 0.082 nan 8.250 nan 0.000 0.442 545 F N 1.106 121.154 119.950 0.163 0.000 2.206 545 F HA 0.024 4.545 4.527 -0.009 0.000 0.298 545 F C 1.988 177.938 175.800 0.249 0.000 1.090 545 F CA 1.080 59.196 58.000 0.193 0.000 1.323 545 F CB -0.434 38.683 39.000 0.195 0.000 1.028 545 F HN 0.073 nan 8.300 nan 0.000 0.492 546 A N 0.232 123.203 122.820 0.251 0.000 1.933 546 A HA -0.064 4.250 4.320 -0.009 0.000 0.218 546 A C 2.389 180.001 177.584 0.045 0.000 1.175 546 A CA 1.740 53.860 52.037 0.138 0.000 0.628 546 A CB -1.443 17.702 19.000 0.242 0.000 0.814 546 A HN 0.448 nan 8.150 nan 0.000 0.444 547 A N -1.552 121.314 122.820 0.077 0.000 1.929 547 A HA -0.039 4.276 4.320 -0.009 0.000 0.216 547 A C 2.112 179.713 177.584 0.029 0.000 1.176 547 A CA 1.499 53.563 52.037 0.046 0.000 0.628 547 A CB -0.769 18.270 19.000 0.064 0.000 0.816 547 A HN 0.738 nan 8.150 nan 0.000 0.444 548 Y N 0.696 120.942 120.300 -0.089 0.000 2.181 548 Y HA -0.157 4.388 4.550 -0.009 0.000 0.288 548 Y C 1.847 177.664 175.900 -0.138 0.000 1.146 548 Y CA 1.724 59.758 58.100 -0.110 0.000 1.164 548 Y CB -0.318 38.080 38.460 -0.104 0.000 0.982 548 Y HN 0.206 nan 8.280 nan 0.000 0.515 549 L N 0.052 121.252 121.223 -0.038 0.000 2.127 549 L HA -0.211 4.123 4.340 -0.009 0.000 0.211 549 L C 2.183 179.050 176.870 -0.005 0.000 1.089 549 L CA 1.777 56.606 54.840 -0.018 0.000 0.757 549 L CB -0.437 41.543 42.059 -0.131 0.000 0.899 549 L HN 0.352 nan 8.230 nan 0.000 0.434 550 E N -0.668 119.511 120.200 -0.035 0.000 2.190 550 E HA -0.082 4.262 4.350 -0.009 0.000 0.191 550 E C 2.219 178.773 176.600 -0.078 0.000 0.978 550 E CA 0.184 56.581 56.400 -0.006 0.000 0.839 550 E CB 0.162 29.860 29.700 -0.003 0.000 0.787 550 E HN 0.426 nan 8.360 nan 0.000 0.473 551 R N 1.107 121.511 120.500 -0.161 0.000 2.082 551 R HA -0.127 4.207 4.340 -0.009 0.000 0.228 551 R C 1.936 178.048 176.300 -0.314 0.000 1.140 551 R CA 1.436 57.408 56.100 -0.214 0.000 0.920 551 R CB -0.089 30.069 30.300 -0.237 0.000 0.828 551 R HN -0.025 nan 8.270 nan 0.000 0.430 552 E N -1.257 118.597 120.200 -0.577 0.000 2.442 552 E HA -0.045 4.300 4.350 -0.009 0.000 0.195 552 E C 0.389 176.495 176.600 -0.823 0.000 1.030 552 E CA 0.750 56.694 56.400 -0.761 0.000 0.869 552 E CB 0.414 29.431 29.700 -1.139 0.000 0.857 552 E HN 0.378 nan 8.360 nan 0.000 0.505 553 Y N -0.351 119.846 120.300 -0.172 0.000 2.563 553 Y HA 0.259 4.803 4.550 -0.009 0.000 0.250 553 Y C -0.289 175.592 175.900 -0.032 0.000 1.126 553 Y CA -0.678 57.381 58.100 -0.069 0.000 1.231 553 Y CB 0.746 39.183 38.460 -0.038 0.000 1.288 553 Y HN -0.318 nan 8.280 nan 0.000 0.537 554 K N 1.310 121.752 120.400 0.069 0.000 4.856 554 K HA -0.101 4.213 4.320 -0.009 0.000 0.306 554 K C -1.011 175.654 176.600 0.108 0.000 0.895 554 K CA 0.845 57.185 56.287 0.087 0.000 0.963 554 K CB -1.808 30.730 32.500 0.064 0.000 1.737 554 K HN 0.247 nan 8.250 nan 0.000 0.424 555 V N -1.384 118.615 119.914 0.142 0.000 2.653 555 V HA 0.336 4.450 4.120 -0.009 0.000 0.298 555 V C 0.103 176.315 176.094 0.196 0.000 1.097 555 V CA -1.006 61.353 62.300 0.099 0.000 0.908 555 V CB 1.480 33.329 31.823 0.044 0.000 1.024 555 V HN 0.488 nan 8.190 nan 0.000 0.435 556 H N 5.630 124.695 119.070 -0.009 0.000 2.722 556 H HA 0.782 5.333 4.556 -0.009 0.000 0.328 556 H C -0.013 175.308 175.328 -0.011 0.000 1.067 556 H CA -0.140 55.905 56.048 -0.005 0.000 1.447 556 H CB 1.788 31.549 29.762 -0.001 0.000 1.469 556 H HN 0.899 nan 8.280 nan 0.000 0.544 557 I N -0.169 120.478 120.570 0.128 0.000 2.894 557 I HA 0.341 4.506 4.170 -0.009 0.000 0.302 557 I C -0.931 175.259 176.117 0.123 0.000 1.188 557 I CA -1.331 60.020 61.300 0.086 0.000 1.014 557 I CB 2.394 40.413 38.000 0.031 0.000 1.242 557 I HN 0.372 nan 8.210 nan 0.000 0.430 558 N N 4.975 123.755 118.700 0.134 0.000 2.437 558 N HA 0.432 5.167 4.740 -0.009 0.000 0.243 558 N C -2.056 173.595 175.510 0.235 0.000 1.041 558 N CA -2.242 50.895 53.050 0.144 0.000 0.940 558 N CB 1.177 39.723 38.487 0.099 0.000 1.133 558 N HN 0.369 nan 8.380 nan 0.000 0.506 559 P HA -0.047 nan 4.420 nan 0.000 0.223 559 P C 0.022 177.315 177.300 -0.012 0.000 1.144 559 P CA 1.166 64.349 63.100 0.138 0.000 0.783 559 P CB 0.149 31.903 31.700 0.089 0.000 0.771 560 N N -1.240 117.484 118.700 0.040 0.000 2.422 560 N HA 0.003 4.737 4.740 -0.009 0.000 0.181 560 N C 0.514 176.057 175.510 0.055 0.000 1.080 560 N CA -0.097 52.964 53.050 0.020 0.000 0.893 560 N CB 0.054 38.562 38.487 0.035 0.000 0.973 560 N HN 0.200 nan 8.380 nan 0.000 0.456 561 S N 0.455 116.204 115.700 0.082 0.000 2.614 561 S HA 0.194 4.658 4.470 -0.009 0.000 0.265 561 S C 0.018 174.595 174.600 -0.038 0.000 1.303 561 S CA -0.845 57.390 58.200 0.058 0.000 1.000 561 S CB 1.188 64.450 63.200 0.102 0.000 0.935 561 S HN 0.166 nan 8.310 nan 0.000 0.551 562 L N 1.903 122.944 121.223 -0.302 0.000 2.360 562 L HA 0.388 4.723 4.340 -0.009 0.000 0.276 562 L C -0.921 175.925 176.870 -0.039 0.000 1.121 562 L CA -0.597 53.863 54.840 -0.634 0.000 0.845 562 L CB -0.131 41.238 42.059 -1.150 0.000 1.143 562 L HN 0.711 nan 8.230 nan 0.000 0.452 563 F N 4.232 124.046 119.950 -0.226 0.000 2.405 563 F HA 0.108 4.631 4.527 -0.008 0.000 0.358 563 F C 0.402 176.131 175.800 -0.118 0.000 1.151 563 F CA -0.834 57.102 58.000 -0.107 0.000 1.161 563 F CB 0.601 39.587 39.000 -0.024 0.000 1.245 563 F HN 0.523 nan 8.300 nan 0.000 0.545 564 D N 4.939 125.340 120.400 0.003 0.000 2.396 564 D HA 0.265 4.900 4.640 -0.009 0.000 0.225 564 D C -1.045 175.195 176.300 -0.101 0.000 1.121 564 D CA -0.067 53.888 54.000 -0.074 0.000 0.853 564 D CB 1.410 42.151 40.800 -0.098 0.000 1.043 564 D HN 0.278 nan 8.370 nan 0.000 0.500 565 V N 2.601 122.435 119.914 -0.133 0.000 2.735 565 V HA 0.597 4.711 4.120 -0.009 0.000 0.310 565 V C -1.490 174.454 176.094 -0.249 0.000 1.061 565 V CA -0.698 61.507 62.300 -0.160 0.000 0.913 565 V CB 1.963 33.743 31.823 -0.072 0.000 1.005 565 V HN 0.525 nan 8.190 nan 0.000 0.428 566 Q N 4.123 123.792 119.800 -0.218 0.000 2.397 566 Q HA 0.674 5.009 4.340 -0.009 0.000 0.260 566 Q C -1.522 174.316 176.000 -0.271 0.000 1.002 566 Q CA -0.636 55.026 55.803 -0.234 0.000 0.716 566 Q CB 1.919 30.546 28.738 -0.185 0.000 1.258 566 Q HN 1.181 nan 8.270 nan 0.000 0.477 567 V N 1.857 121.598 119.914 -0.288 0.000 2.487 567 V HA 0.865 4.980 4.120 -0.009 0.000 0.298 567 V C -0.861 174.965 176.094 -0.447 0.000 1.028 567 V CA -0.570 61.369 62.300 -0.602 0.000 0.860 567 V CB 1.295 32.505 31.823 -1.021 0.000 0.991 567 V HN 0.830 nan 8.190 nan 0.000 0.427 568 K N 2.461 122.643 120.400 -0.364 0.000 3.040 568 K HA 0.393 4.707 4.320 -0.009 0.000 0.300 568 K C -1.301 175.299 176.600 -0.001 0.000 1.092 568 K CA -1.127 55.124 56.287 -0.060 0.000 0.831 568 K CB 0.933 33.386 32.500 -0.078 0.000 1.469 568 K HN 0.473 nan 8.250 nan 0.000 0.365 569 R N 0.854 121.403 120.500 0.082 0.000 2.698 569 R HA 0.177 4.512 4.340 -0.009 0.000 0.266 569 R C 0.409 176.738 176.300 0.049 0.000 1.026 569 R CA -0.297 55.867 56.100 0.107 0.000 1.102 569 R CB -0.127 30.262 30.300 0.149 0.000 0.978 569 R HN 0.464 nan 8.270 nan 0.000 0.436 570 I N 3.762 124.374 120.570 0.070 0.000 2.471 570 I HA 0.112 4.276 4.170 -0.009 0.000 0.286 570 I C 0.721 176.847 176.117 0.015 0.000 1.079 570 I CA 0.535 61.833 61.300 -0.003 0.000 1.398 570 I CB -0.126 37.857 38.000 -0.029 0.000 1.403 570 I HN 0.374 nan 8.210 nan 0.000 0.530 571 H N 5.037 124.016 119.070 -0.151 0.000 3.079 571 H HA 0.206 4.757 4.556 -0.009 0.000 0.356 571 H C 0.310 175.523 175.328 -0.192 0.000 1.221 571 H CA -0.372 55.634 56.048 -0.070 0.000 1.185 571 H CB 1.774 31.489 29.762 -0.078 0.000 1.882 571 H HN 0.601 nan 8.280 nan 0.000 0.543 572 E N 1.957 122.212 120.200 0.093 0.000 2.110 572 E HA -0.221 4.123 4.350 -0.009 0.000 0.193 572 E C 1.311 177.712 176.600 -0.332 0.000 0.988 572 E CA 1.718 58.128 56.400 0.016 0.000 0.804 572 E CB -0.035 29.820 29.700 0.259 0.000 0.745 572 E HN 0.568 nan 8.360 nan 0.000 0.458 573 Y N 0.820 120.730 120.300 -0.650 0.000 2.421 573 Y HA 0.006 4.550 4.550 -0.009 0.000 0.292 573 Y C 1.496 177.134 175.900 -0.436 0.000 1.136 573 Y CA 0.782 58.210 58.100 -1.119 0.000 1.255 573 Y CB -0.078 37.747 38.460 -1.058 0.000 0.991 573 Y HN -0.211 nan 8.280 nan 0.000 0.552 574 K N 0.751 120.679 120.400 -0.786 0.000 2.432 574 K HA 0.067 4.382 4.320 -0.009 0.000 0.196 574 K C 0.122 176.551 176.600 -0.285 0.000 1.038 574 K CA 0.510 56.452 56.287 -0.575 0.000 0.986 574 K CB -0.039 32.113 32.500 -0.580 0.000 0.782 574 K HN 0.245 nan 8.250 nan 0.000 0.485 575 R N 0.497 120.862 120.500 -0.226 0.000 3.336 575 R HA -0.227 4.107 4.340 -0.009 0.000 0.260 575 R C 0.231 176.456 176.300 -0.125 0.000 1.032 575 R CA 0.170 56.190 56.100 -0.133 0.000 0.693 575 R CB -1.848 28.392 30.300 -0.100 0.000 1.134 575 R HN 0.289 nan 8.270 nan 0.000 0.433 576 Q N 0.319 120.044 119.800 -0.126 0.000 2.291 576 Q HA -0.025 4.310 4.340 -0.009 0.000 0.206 576 Q C 2.017 177.970 176.000 -0.078 0.000 0.976 576 Q CA 1.267 57.008 55.803 -0.103 0.000 0.875 576 Q CB 0.060 28.740 28.738 -0.096 0.000 0.927 576 Q HN 0.582 nan 8.270 nan 0.000 0.450 577 L N -0.606 120.574 121.223 -0.071 0.000 2.083 577 L HA -0.176 4.159 4.340 -0.009 0.000 0.209 577 L C 1.980 178.852 176.870 0.004 0.000 1.083 577 L CA 0.543 55.356 54.840 -0.046 0.000 0.752 577 L CB -0.328 41.714 42.059 -0.027 0.000 0.899 577 L HN 0.314 nan 8.230 nan 0.000 0.433 578 L N 0.009 121.228 121.223 -0.007 0.000 2.083 578 L HA -0.230 4.105 4.340 -0.009 0.000 0.209 578 L C 2.016 178.941 176.870 0.091 0.000 1.083 578 L CA 1.880 56.730 54.840 0.016 0.000 0.752 578 L CB -0.820 41.142 42.059 -0.162 0.000 0.899 578 L HN 0.284 nan 8.230 nan 0.000 0.433 579 N N -1.678 117.042 118.700 0.034 0.000 2.120 579 N HA -0.230 4.505 4.740 -0.009 0.000 0.188 579 N C 1.935 177.527 175.510 0.136 0.000 1.024 579 N CA 1.576 54.720 53.050 0.158 0.000 0.852 579 N CB -0.136 38.374 38.487 0.039 0.000 1.003 579 N HN 0.490 nan 8.380 nan 0.000 0.424 580 C N 0.587 119.903 119.300 0.027 0.000 2.413 580 C HA -0.071 4.384 4.460 -0.009 0.000 0.276 580 C C 2.588 177.569 174.990 -0.015 0.000 1.248 580 C CA 0.380 59.366 59.018 -0.053 0.000 1.742 580 C CB -1.251 26.406 27.740 -0.138 0.000 2.017 580 C HN 0.511 nan 8.230 nan 0.000 0.481 581 L N -0.387 120.889 121.223 0.088 0.000 2.083 581 L HA -0.194 4.141 4.340 -0.009 0.000 0.209 581 L C 2.758 179.775 176.870 0.245 0.000 1.083 581 L CA 1.747 56.682 54.840 0.159 0.000 0.752 581 L CB -1.021 41.200 42.059 0.269 0.000 0.899 581 L HN 0.590 nan 8.230 nan 0.000 0.433 582 H N -0.054 119.123 119.070 0.179 0.000 2.326 582 H HA -0.127 4.423 4.556 -0.009 0.000 0.301 582 H C 2.241 177.560 175.328 -0.015 0.000 1.081 582 H CA 1.842 57.918 56.048 0.047 0.000 1.334 582 H CB 0.334 30.057 29.762 -0.066 0.000 1.385 582 H HN 0.090 nan 8.280 nan 0.000 0.504 583 V N 1.665 121.496 119.914 -0.138 0.000 2.287 583 V HA -0.282 3.832 4.120 -0.009 0.000 0.248 583 V C 2.822 178.839 176.094 -0.128 0.000 1.053 583 V CA 1.928 64.111 62.300 -0.196 0.000 1.027 583 V CB -0.516 31.236 31.823 -0.117 0.000 0.646 583 V HN 0.404 nan 8.190 nan 0.000 0.447 584 I N -0.222 120.303 120.570 -0.075 0.000 2.394 584 I HA -0.198 3.966 4.170 -0.009 0.000 0.251 584 I C 2.463 178.619 176.117 0.065 0.000 1.136 584 I CA 1.583 62.898 61.300 0.026 0.000 1.425 584 I CB -0.639 37.350 38.000 -0.017 0.000 1.079 584 I HN 0.329 nan 8.210 nan 0.000 0.425 585 T N 1.161 115.712 114.554 -0.005 0.000 2.777 585 T HA -0.124 4.220 4.350 -0.009 0.000 0.266 585 T C 1.880 176.524 174.700 -0.092 0.000 1.040 585 T CA 1.112 63.205 62.100 -0.012 0.000 1.141 585 T CB -0.205 68.684 68.868 0.036 0.000 0.868 585 T HN 0.085 nan 8.240 nan 0.000 0.444 586 L N 0.157 121.253 121.223 -0.211 0.000 2.083 586 L HA -0.000 4.335 4.340 -0.009 0.000 0.209 586 L C 2.078 178.899 176.870 -0.082 0.000 1.083 586 L CA 1.534 56.247 54.840 -0.211 0.000 0.752 586 L CB -0.899 40.962 42.059 -0.331 0.000 0.899 586 L HN 0.362 nan 8.230 nan 0.000 0.433 587 Y N 0.045 120.270 120.300 -0.124 0.000 2.163 587 Y HA -0.255 4.290 4.550 -0.009 0.000 0.288 587 Y C 2.409 178.279 175.900 -0.050 0.000 1.136 587 Y CA 1.744 59.810 58.100 -0.057 0.000 1.147 587 Y CB -0.079 38.389 38.460 0.013 0.000 0.987 587 Y HN 0.260 nan 8.280 nan 0.000 0.509 588 N N 0.501 119.153 118.700 -0.080 0.000 2.166 588 N HA -0.139 4.596 4.740 -0.009 0.000 0.186 588 N C 1.814 177.210 175.510 -0.191 0.000 1.019 588 N CA 1.432 54.374 53.050 -0.181 0.000 0.856 588 N CB -0.351 38.089 38.487 -0.077 0.000 0.993 588 N HN 0.446 nan 8.380 nan 0.000 0.426 589 R N 0.418 120.831 120.500 -0.144 0.000 2.092 589 R HA 0.069 4.403 4.340 -0.009 0.000 0.231 589 R C 2.207 178.418 176.300 -0.148 0.000 1.119 589 R CA 0.749 56.773 56.100 -0.127 0.000 0.970 589 R CB -0.221 30.014 30.300 -0.108 0.000 0.864 589 R HN 0.248 nan 8.270 nan 0.000 0.440 590 I N 0.927 121.386 120.570 -0.185 0.000 2.202 590 I HA -0.253 3.912 4.170 -0.009 0.000 0.242 590 I C 2.034 178.030 176.117 -0.202 0.000 1.091 590 I CA 1.148 62.339 61.300 -0.181 0.000 1.368 590 I CB -0.190 37.702 38.000 -0.180 0.000 1.058 590 I HN 0.018 nan 8.210 nan 0.000 0.410 591 K N 0.924 121.139 120.400 -0.308 0.000 2.209 591 K HA -0.196 4.119 4.320 -0.009 0.000 0.204 591 K C 1.969 178.469 176.600 -0.166 0.000 1.048 591 K CA 1.106 57.229 56.287 -0.274 0.000 0.940 591 K CB -0.275 31.986 32.500 -0.399 0.000 0.729 591 K HN 0.350 nan 8.250 nan 0.000 0.451 592 K N 1.123 121.433 120.400 -0.150 0.000 2.076 592 K HA -0.060 4.255 4.320 -0.009 0.000 0.204 592 K C 0.000 176.553 176.600 -0.078 0.000 1.051 592 K CA 0.947 57.172 56.287 -0.102 0.000 0.949 592 K CB 0.409 32.853 32.500 -0.095 0.000 0.726 592 K HN 0.047 nan 8.250 nan 0.000 0.443 593 E N 0.251 120.403 120.200 -0.081 0.000 3.374 593 E HA 0.122 4.466 4.350 -0.009 0.000 0.223 593 E C -2.368 174.196 176.600 -0.060 0.000 1.210 593 E CA -1.600 54.765 56.400 -0.058 0.000 0.987 593 E CB 1.750 31.422 29.700 -0.046 0.000 1.322 593 E HN 0.102 nan 8.360 nan 0.000 0.404 594 P HA -0.183 nan 4.420 nan 0.000 0.216 594 P C 0.257 177.538 177.300 -0.030 0.000 1.153 594 P CA 1.317 64.385 63.100 -0.054 0.000 0.858 594 P CB 0.168 31.841 31.700 -0.045 0.000 0.789 595 N N -1.161 117.530 118.700 -0.015 0.000 2.322 595 N HA 0.008 4.743 4.740 -0.009 0.000 0.216 595 N C 0.381 175.907 175.510 0.026 0.000 1.144 595 N CA 0.069 53.124 53.050 0.008 0.000 0.830 595 N CB -0.113 38.379 38.487 0.008 0.000 1.034 595 N HN 0.025 nan 8.380 nan 0.000 0.484 596 K N 1.158 121.566 120.400 0.014 0.000 2.156 596 K HA 0.164 4.478 4.320 -0.009 0.000 0.271 596 K C -0.942 175.693 176.600 0.058 0.000 0.995 596 K CA -0.646 55.664 56.287 0.037 0.000 0.890 596 K CB 0.620 33.122 32.500 0.002 0.000 1.073 596 K HN -0.028 nan 8.250 nan 0.000 0.454 597 F N 4.678 124.613 119.950 -0.024 0.000 2.484 597 F HA 0.213 4.734 4.527 -0.009 0.000 0.360 597 F C -0.359 175.426 175.800 -0.026 0.000 1.101 597 F CA 0.034 58.021 58.000 -0.022 0.000 1.251 597 F CB 0.610 39.600 39.000 -0.016 0.000 1.132 597 F HN 0.199 nan 8.300 nan 0.000 0.570 598 V N 4.104 123.411 119.914 -1.012 0.000 2.888 598 V HA 0.502 4.617 4.120 -0.009 0.000 0.309 598 V C -0.831 174.659 176.094 -1.007 0.000 1.114 598 V CA -1.251 60.610 62.300 -0.733 0.000 0.940 598 V CB 0.838 32.441 31.823 -0.367 0.000 1.021 598 V HN 0.598 nan 8.190 nan 0.000 0.426 599 V N 4.707 124.279 119.914 -0.571 0.000 2.493 599 V HA 0.174 4.289 4.120 -0.009 0.000 0.292 599 V C -1.821 174.107 176.094 -0.276 0.000 1.016 599 V CA -0.333 61.773 62.300 -0.322 0.000 1.097 599 V CB 0.362 32.127 31.823 -0.096 0.000 0.947 599 V HN 0.898 nan 8.190 nan 0.000 0.479 600 P HA 0.293 nan 4.420 nan 0.000 0.268 600 P C -0.349 176.867 177.300 -0.140 0.000 1.204 600 P CA 0.090 63.107 63.100 -0.138 0.000 0.768 600 P CB 0.498 32.168 31.700 -0.050 0.000 0.842 601 R N 1.231 121.660 120.500 -0.119 0.000 2.725 601 R HA 0.598 4.932 4.340 -0.009 0.000 0.277 601 R C -0.873 175.389 176.300 -0.063 0.000 0.987 601 R CA -0.665 55.366 56.100 -0.114 0.000 0.901 601 R CB 2.097 32.312 30.300 -0.142 0.000 1.207 601 R HN 0.273 nan 8.270 nan 0.000 0.463 602 T N 1.800 116.328 114.554 -0.043 0.000 2.864 602 T HA 0.247 4.592 4.350 -0.009 0.000 0.310 602 T C -0.488 174.131 174.700 -0.135 0.000 1.040 602 T CA -0.479 61.561 62.100 -0.100 0.000 0.977 602 T CB 1.228 69.978 68.868 -0.196 0.000 0.976 602 T HN 0.136 nan 8.240 nan 0.000 0.459 603 V N 5.815 125.658 119.914 -0.119 0.000 2.385 603 V HA 0.438 4.553 4.120 -0.009 0.000 0.269 603 V C 0.065 176.083 176.094 -0.127 0.000 1.043 603 V CA -0.375 61.858 62.300 -0.111 0.000 0.906 603 V CB 0.746 32.517 31.823 -0.086 0.000 0.995 603 V HN 0.845 nan 8.190 nan 0.000 0.467 604 M N 6.627 126.140 119.600 -0.144 0.000 2.243 604 M HA 0.621 5.095 4.480 -0.009 0.000 0.324 604 M C -1.018 175.173 176.300 -0.182 0.000 1.031 604 M CA -0.186 55.019 55.300 -0.159 0.000 0.949 604 M CB 2.049 34.552 32.600 -0.161 0.000 1.615 604 M HN 0.424 nan 8.290 nan 0.000 0.430 605 I N 1.836 122.275 120.570 -0.218 0.000 2.533 605 I HA 0.806 4.970 4.170 -0.009 0.000 0.290 605 I C 0.013 175.794 176.117 -0.559 0.000 1.056 605 I CA -0.640 60.500 61.300 -0.266 0.000 1.057 605 I CB 2.326 40.257 38.000 -0.115 0.000 1.240 605 I HN 0.799 nan 8.210 nan 0.000 0.423 606 G N 2.955 111.400 108.800 -0.592 0.000 2.660 606 G HA2 0.850 4.805 3.960 -0.009 0.000 0.294 606 G HA3 0.850 4.805 3.960 -0.009 0.000 0.294 606 G C -0.988 173.622 174.900 -0.483 0.000 1.369 606 G CA -0.829 43.787 45.100 -0.808 0.000 0.912 606 G HN 0.992 nan 8.290 nan 0.000 0.479 607 G N -0.377 108.293 108.800 -0.217 0.000 2.329 607 G HA2 0.395 4.349 3.960 -0.009 0.000 0.308 607 G HA3 0.395 4.349 3.960 -0.009 0.000 0.308 607 G C -1.237 173.803 174.900 0.234 0.000 1.587 607 G CA -1.020 44.120 45.100 0.066 0.000 0.978 607 G HN 0.609 nan 8.290 nan 0.000 0.685 608 K N -0.135 120.400 120.400 0.226 0.000 2.098 608 K HA 0.783 5.097 4.320 -0.009 0.000 0.258 608 K C 0.228 176.981 176.600 0.255 0.000 0.973 608 K CA -0.228 56.215 56.287 0.260 0.000 0.898 608 K CB 2.075 34.637 32.500 0.103 0.000 1.057 608 K HN 0.896 nan 8.250 nan 0.000 0.447 609 A N 1.196 124.202 122.820 0.309 0.000 2.337 609 A HA 0.665 4.980 4.320 -0.009 0.000 0.329 609 A C -0.583 177.196 177.584 0.325 0.000 1.146 609 A CA -0.761 51.406 52.037 0.216 0.000 0.800 609 A CB 1.159 20.199 19.000 0.066 0.000 1.220 609 A HN 0.763 nan 8.150 nan 0.000 0.472 610 A N 3.226 126.229 122.820 0.305 0.000 2.511 610 A HA 0.490 4.804 4.320 -0.009 0.000 0.242 610 A C -1.411 176.268 177.584 0.158 0.000 1.069 610 A CA -0.853 51.354 52.037 0.284 0.000 0.763 610 A CB -0.384 18.754 19.000 0.231 0.000 1.001 610 A HN 0.595 nan 8.150 nan 0.000 0.498 611 P HA -0.170 nan 4.420 nan 0.000 0.217 611 P C 1.265 178.557 177.300 -0.012 0.000 1.151 611 P CA 2.117 65.167 63.100 -0.083 0.000 0.849 611 P CB 0.212 31.816 31.700 -0.160 0.000 0.787 612 G N -3.218 105.596 108.800 0.024 0.000 3.189 612 G HA2 -0.054 3.900 3.960 -0.009 0.000 0.225 612 G HA3 -0.054 3.900 3.960 -0.009 0.000 0.225 612 G C -0.279 174.656 174.900 0.058 0.000 1.159 612 G CA -0.131 44.984 45.100 0.025 0.000 0.763 612 G HN 0.305 nan 8.290 nan 0.000 0.549 613 Y N 1.784 122.030 120.300 -0.090 0.000 2.691 613 Y HA 0.172 4.717 4.550 -0.009 0.000 0.338 613 Y C 1.659 177.539 175.900 -0.034 0.000 1.148 613 Y CA -1.060 56.965 58.100 -0.125 0.000 1.430 613 Y CB 0.117 38.481 38.460 -0.161 0.000 1.303 613 Y HN 0.308 nan 8.280 nan 0.000 0.499 614 H N 4.053 123.228 119.070 0.175 0.000 2.289 614 H HA -0.236 4.314 4.556 -0.009 0.000 0.296 614 H C 1.851 177.191 175.328 0.020 0.000 1.091 614 H CA 2.449 58.546 56.048 0.081 0.000 1.274 614 H CB 0.321 30.128 29.762 0.075 0.000 1.364 614 H HN 0.722 nan 8.280 nan 0.000 0.490 615 M N 1.014 120.619 119.600 0.009 0.000 2.149 615 M HA -0.089 4.385 4.480 -0.009 0.000 0.261 615 M C 2.501 178.554 176.300 -0.412 0.000 1.064 615 M CA 1.823 57.035 55.300 -0.147 0.000 1.102 615 M CB -0.693 31.934 32.600 0.046 0.000 1.369 615 M HN 0.346 nan 8.290 nan 0.000 0.408 616 A N -0.599 121.727 122.820 -0.824 0.000 1.930 616 A HA -0.169 4.145 4.320 -0.009 0.000 0.217 616 A C 2.200 179.571 177.584 -0.355 0.000 1.175 616 A CA 1.736 53.315 52.037 -0.764 0.000 0.627 616 A CB -0.595 17.733 19.000 -1.121 0.000 0.815 616 A HN 0.579 nan 8.150 nan 0.000 0.443 617 K N -1.113 119.129 120.400 -0.262 0.000 2.155 617 K HA 0.009 4.323 4.320 -0.009 0.000 0.203 617 K C 1.832 178.361 176.600 -0.119 0.000 1.052 617 K CA 1.024 57.240 56.287 -0.119 0.000 0.948 617 K CB -0.155 32.335 32.500 -0.017 0.000 0.728 617 K HN 0.339 nan 8.250 nan 0.000 0.448 618 M N 0.463 119.947 119.600 -0.193 0.000 2.254 618 M HA -0.057 4.418 4.480 -0.009 0.000 0.265 618 M C 2.032 178.261 176.300 -0.118 0.000 1.066 618 M CA 1.345 56.575 55.300 -0.116 0.000 1.123 618 M CB -0.521 32.011 32.600 -0.114 0.000 1.388 618 M HN 0.126 nan 8.290 nan 0.000 0.425 619 I N -0.207 120.258 120.570 -0.175 0.000 2.315 619 I HA -0.284 3.880 4.170 -0.009 0.000 0.248 619 I C 2.271 178.260 176.117 -0.214 0.000 1.117 619 I CA 1.003 62.193 61.300 -0.184 0.000 1.404 619 I CB -0.281 37.611 38.000 -0.181 0.000 1.071 619 I HN 0.170 nan 8.210 nan 0.000 0.419 620 I N 0.752 121.175 120.570 -0.244 0.000 2.179 620 I HA -0.297 3.868 4.170 -0.009 0.000 0.242 620 I C 2.613 178.450 176.117 -0.466 0.000 1.088 620 I CA 1.245 62.310 61.300 -0.391 0.000 1.357 620 I CB -0.318 37.425 38.000 -0.429 0.000 1.051 620 I HN 0.154 nan 8.210 nan 0.000 0.409 621 K N 1.630 121.762 120.400 -0.448 0.000 2.057 621 K HA -0.159 4.156 4.320 -0.009 0.000 0.207 621 K C 2.053 178.489 176.600 -0.272 0.000 1.049 621 K CA 1.494 57.438 56.287 -0.571 0.000 0.931 621 K CB -0.576 31.316 32.500 -1.014 0.000 0.714 621 K HN 0.243 nan 8.250 nan 0.000 0.440 622 L N 0.326 121.422 121.223 -0.213 0.000 2.046 622 L HA -0.156 4.179 4.340 -0.009 0.000 0.208 622 L C 2.167 178.795 176.870 -0.402 0.000 1.077 622 L CA 1.623 56.166 54.840 -0.496 0.000 0.747 622 L CB -0.243 41.435 42.059 -0.635 0.000 0.896 622 L HN 0.274 nan 8.230 nan 0.000 0.432 623 I N -0.182 120.208 120.570 -0.299 0.000 2.179 623 I HA -0.321 3.843 4.170 -0.009 0.000 0.242 623 I C 2.611 178.623 176.117 -0.176 0.000 1.088 623 I CA 1.903 63.079 61.300 -0.206 0.000 1.357 623 I CB -0.537 37.425 38.000 -0.064 0.000 1.051 623 I HN 0.427 nan 8.210 nan 0.000 0.409 624 T N -0.872 113.552 114.554 -0.217 0.000 2.867 624 T HA -0.049 4.295 4.350 -0.009 0.000 0.268 624 T C 1.980 176.613 174.700 -0.112 0.000 1.057 624 T CA 0.891 62.895 62.100 -0.160 0.000 1.136 624 T CB -0.449 68.280 68.868 -0.233 0.000 0.874 624 T HN 0.335 nan 8.240 nan 0.000 0.466 625 A N 1.637 124.384 122.820 -0.122 0.000 1.902 625 A HA 0.128 4.442 4.320 -0.009 0.000 0.217 625 A C 2.388 179.973 177.584 0.003 0.000 1.181 625 A CA 1.298 53.330 52.037 -0.008 0.000 0.623 625 A CB -0.825 18.257 19.000 0.137 0.000 0.818 625 A HN 0.585 nan 8.150 nan 0.000 0.443 626 I N -0.348 120.109 120.570 -0.187 0.000 2.179 626 I HA -0.203 3.962 4.170 -0.009 0.000 0.242 626 I C 2.717 178.782 176.117 -0.087 0.000 1.088 626 I CA 1.154 62.303 61.300 -0.253 0.000 1.357 626 I CB -0.675 37.063 38.000 -0.438 0.000 1.051 626 I HN 0.401 nan 8.210 nan 0.000 0.409 627 G N 0.399 109.150 108.800 -0.081 0.000 2.440 627 G HA2 -0.258 3.696 3.960 -0.009 0.000 0.218 627 G HA3 -0.258 3.696 3.960 -0.009 0.000 0.218 627 G C 1.254 176.175 174.900 0.035 0.000 1.154 627 G CA 0.916 45.991 45.100 -0.041 0.000 0.767 627 G HN 0.279 nan 8.290 nan 0.000 0.552 628 D N 0.039 120.483 120.400 0.073 0.000 2.149 628 D HA -0.094 4.540 4.640 -0.009 0.000 0.198 628 D C 2.710 179.129 176.300 0.199 0.000 0.990 628 D CA 0.797 54.889 54.000 0.153 0.000 0.839 628 D CB -0.194 40.636 40.800 0.051 0.000 0.948 628 D HN 0.253 nan 8.370 nan 0.000 0.460 629 V N 0.100 120.077 119.914 0.105 0.000 2.331 629 V HA -0.135 3.980 4.120 -0.009 0.000 0.242 629 V C 2.616 178.707 176.094 -0.005 0.000 1.034 629 V CA 0.735 63.059 62.300 0.040 0.000 1.027 629 V CB -0.349 31.492 31.823 0.030 0.000 0.667 629 V HN 0.021 nan 8.190 nan 0.000 0.457 630 V N 1.086 120.931 119.914 -0.115 0.000 2.295 630 V HA -0.231 3.883 4.120 -0.009 0.000 0.246 630 V C 2.172 178.252 176.094 -0.023 0.000 1.049 630 V CA 2.121 64.346 62.300 -0.126 0.000 1.024 630 V CB -0.910 30.821 31.823 -0.153 0.000 0.648 630 V HN 0.576 nan 8.190 nan 0.000 0.447 631 N N -0.278 118.365 118.700 -0.095 0.000 2.520 631 N HA -0.097 4.637 4.740 -0.009 0.000 0.185 631 N C 1.120 176.354 175.510 -0.460 0.000 1.068 631 N CA 0.939 53.825 53.050 -0.273 0.000 0.911 631 N CB -0.266 37.991 38.487 -0.384 0.000 0.961 631 N HN 0.691 nan 8.380 nan 0.000 0.446 632 H N -1.427 117.646 119.070 0.005 0.000 2.674 632 H HA 0.209 4.759 4.556 -0.009 0.000 0.274 632 H C -0.575 174.771 175.328 0.030 0.000 1.121 632 H CA -0.518 55.533 56.048 0.006 0.000 1.132 632 H CB 0.547 30.301 29.762 -0.013 0.000 1.606 632 H HN -0.013 nan 8.280 nan 0.000 0.558 633 D N 1.689 122.168 120.400 0.132 0.000 2.339 633 D HA 0.056 4.691 4.640 -0.009 0.000 0.241 633 D C -1.632 174.726 176.300 0.096 0.000 1.183 633 D CA -2.047 52.043 54.000 0.150 0.000 0.859 633 D CB 1.680 42.648 40.800 0.279 0.000 1.067 633 D HN 0.082 nan 8.370 nan 0.000 0.484 634 P HA -0.173 nan 4.420 nan 0.000 0.216 634 P C 1.587 178.907 177.300 0.034 0.000 1.153 634 P CA 0.577 63.704 63.100 0.045 0.000 0.858 634 P CB 0.388 32.110 31.700 0.038 0.000 0.789 635 V N -0.782 119.151 119.914 0.033 0.000 2.490 635 V HA -0.174 3.941 4.120 -0.009 0.000 0.250 635 V C 2.392 178.488 176.094 0.003 0.000 1.061 635 V CA 1.556 63.861 62.300 0.009 0.000 1.064 635 V CB -1.007 30.809 31.823 -0.012 0.000 0.670 635 V HN -0.006 nan 8.190 nan 0.000 0.461 636 V N -0.274 119.658 119.914 0.030 0.000 2.453 636 V HA 0.137 4.251 4.120 -0.009 0.000 0.247 636 V C 1.758 177.858 176.094 0.011 0.000 1.048 636 V CA 1.373 63.690 62.300 0.027 0.000 1.049 636 V CB -1.238 30.648 31.823 0.104 0.000 0.672 636 V HN 0.729 nan 8.190 nan 0.000 0.457 637 G N 1.560 110.371 108.800 0.017 0.000 2.566 637 G HA2 -0.398 3.557 3.960 -0.009 0.000 0.280 637 G HA3 -0.398 3.557 3.960 -0.009 0.000 0.280 637 G C 0.221 175.122 174.900 0.002 0.000 1.225 637 G CA 0.551 45.657 45.100 0.010 0.000 0.966 637 G HN 0.743 nan 8.290 nan 0.000 0.560 638 D N -0.309 120.094 120.400 0.005 0.000 2.336 638 D HA 0.282 4.916 4.640 -0.009 0.000 0.228 638 D C 1.853 178.148 176.300 -0.008 0.000 1.120 638 D CA 0.228 54.232 54.000 0.006 0.000 0.839 638 D CB 0.104 40.919 40.800 0.024 0.000 0.932 638 D HN 0.537 nan 8.370 nan 0.000 0.509 639 R N -0.622 119.862 120.500 -0.026 0.000 2.193 639 R HA 0.221 4.556 4.340 -0.009 0.000 0.213 639 R C -0.236 176.023 176.300 -0.069 0.000 1.055 639 R CA 0.271 56.333 56.100 -0.064 0.000 0.995 639 R CB 0.175 30.420 30.300 -0.091 0.000 0.893 639 R HN 0.215 nan 8.270 nan 0.000 0.459 640 L N 0.482 121.681 121.223 -0.041 0.000 2.543 640 L HA 0.386 4.721 4.340 -0.009 0.000 0.265 640 L C -1.708 175.140 176.870 -0.036 0.000 0.945 640 L CA -0.533 54.282 54.840 -0.042 0.000 0.869 640 L CB 1.833 43.878 42.059 -0.022 0.000 1.294 640 L HN -0.197 nan 8.230 nan 0.000 0.405 641 R N 3.806 124.273 120.500 -0.056 0.000 2.621 641 R HA 0.767 5.102 4.340 -0.009 0.000 0.284 641 R C -1.628 174.623 176.300 -0.082 0.000 0.998 641 R CA -0.787 55.271 56.100 -0.069 0.000 0.895 641 R CB 2.338 32.597 30.300 -0.068 0.000 1.195 641 R HN 0.389 nan 8.270 nan 0.000 0.450 642 V N 4.833 124.697 119.914 -0.083 0.000 2.350 642 V HA 0.452 4.567 4.120 -0.009 0.000 0.285 642 V C -0.325 175.732 176.094 -0.062 0.000 1.014 642 V CA -0.688 61.564 62.300 -0.080 0.000 0.831 642 V CB 1.401 33.173 31.823 -0.086 0.000 1.000 642 V HN 0.511 nan 8.190 nan 0.000 0.433 643 I N 4.917 125.448 120.570 -0.065 0.000 2.474 643 I HA 0.459 4.623 4.170 -0.009 0.000 0.294 643 I C -0.603 175.501 176.117 -0.021 0.000 1.005 643 I CA -0.454 60.821 61.300 -0.042 0.000 1.113 643 I CB 1.838 39.793 38.000 -0.075 0.000 1.289 643 I HN 0.539 nan 8.210 nan 0.000 0.436 644 F N 6.960 126.849 119.950 -0.102 0.000 2.385 644 F HA 0.503 5.025 4.527 -0.009 0.000 0.360 644 F C -0.631 175.106 175.800 -0.105 0.000 1.122 644 F CA -0.774 57.165 58.000 -0.101 0.000 1.090 644 F CB 0.657 39.599 39.000 -0.097 0.000 1.150 644 F HN 0.144 nan 8.300 nan 0.000 0.472 645 L N 5.998 126.828 121.223 -0.656 0.000 2.407 645 L HA 0.142 4.477 4.340 -0.009 0.000 0.282 645 L C 0.358 176.957 176.870 -0.451 0.000 1.110 645 L CA 0.211 54.790 54.840 -0.434 0.000 0.863 645 L CB -0.024 41.864 42.059 -0.285 0.000 1.207 645 L HN 0.620 nan 8.230 nan 0.000 0.454 646 E N 3.321 123.393 120.200 -0.213 0.000 2.373 646 E HA -0.025 4.320 4.350 -0.009 0.000 0.267 646 E C 0.512 177.164 176.600 0.087 0.000 1.032 646 E CA -0.220 56.199 56.400 0.031 0.000 0.889 646 E CB 0.303 29.998 29.700 -0.008 0.000 0.984 646 E HN 0.539 nan 8.360 nan 0.000 0.425 647 N N 2.644 121.464 118.700 0.199 0.000 2.725 647 N HA -0.284 4.450 4.740 -0.009 0.000 0.251 647 N C -1.524 174.090 175.510 0.172 0.000 1.031 647 N CA 0.534 53.702 53.050 0.197 0.000 0.720 647 N CB -1.570 37.051 38.487 0.222 0.000 0.930 647 N HN 0.481 nan 8.380 nan 0.000 0.543 648 Y N 1.492 121.805 120.300 0.022 0.000 2.721 648 Y HA 0.149 4.694 4.550 -0.009 0.000 0.329 648 Y C 1.143 177.067 175.900 0.040 0.000 1.211 648 Y CA 0.653 58.753 58.100 -0.001 0.000 1.512 648 Y CB 0.290 38.717 38.460 -0.056 0.000 1.249 648 Y HN 0.378 nan 8.280 nan 0.000 0.549 649 R N 2.471 122.664 120.500 -0.513 0.000 2.762 649 R HA 0.476 4.811 4.340 -0.009 0.000 0.271 649 R C -0.360 175.614 176.300 -0.543 0.000 1.038 649 R CA -0.605 55.261 56.100 -0.389 0.000 0.906 649 R CB 0.331 30.592 30.300 -0.065 0.000 1.259 649 R HN 0.349 nan 8.270 nan 0.000 0.457 650 V N 1.108 120.720 119.914 -0.504 0.000 2.252 650 V HA -0.303 3.812 4.120 -0.009 0.000 0.249 650 V C 2.588 178.553 176.094 -0.216 0.000 1.056 650 V CA 2.875 64.935 62.300 -0.400 0.000 1.022 650 V CB -0.855 30.688 31.823 -0.467 0.000 0.641 650 V HN 0.936 nan 8.190 nan 0.000 0.445 651 S N 0.078 115.679 115.700 -0.166 0.000 2.400 651 S HA -0.199 4.266 4.470 -0.009 0.000 0.232 651 S C 1.918 176.477 174.600 -0.069 0.000 1.025 651 S CA 1.783 59.920 58.200 -0.104 0.000 0.993 651 S CB -0.556 62.616 63.200 -0.046 0.000 0.808 651 S HN 0.401 nan 8.310 nan 0.000 0.478 652 L N 1.855 123.040 121.223 -0.062 0.000 2.131 652 L HA 0.348 4.682 4.340 -0.009 0.000 0.206 652 L C 2.663 179.546 176.870 0.021 0.000 1.087 652 L CA 1.331 56.175 54.840 0.008 0.000 0.767 652 L CB -1.237 40.881 42.059 0.098 0.000 0.917 652 L HN 0.342 nan 8.230 nan 0.000 0.441 653 A N -0.609 122.195 122.820 -0.026 0.000 1.940 653 A HA -0.236 4.079 4.320 -0.009 0.000 0.219 653 A C 2.110 179.759 177.584 0.108 0.000 1.176 653 A CA 1.844 53.945 52.037 0.107 0.000 0.631 653 A CB -0.612 18.429 19.000 0.068 0.000 0.814 653 A HN 0.603 nan 8.150 nan 0.000 0.446 654 E N -0.437 119.806 120.200 0.071 0.000 2.333 654 E HA -0.153 4.191 4.350 -0.009 0.000 0.198 654 E C 1.826 178.400 176.600 -0.043 0.000 1.007 654 E CA 1.119 57.520 56.400 0.002 0.000 0.845 654 E CB -0.046 29.561 29.700 -0.154 0.000 0.766 654 E HN 0.627 nan 8.360 nan 0.000 0.507 655 K N 0.041 120.400 120.400 -0.068 0.000 2.141 655 K HA 0.036 4.350 4.320 -0.009 0.000 0.202 655 K C 2.135 178.569 176.600 -0.276 0.000 1.045 655 K CA 0.389 56.623 56.287 -0.090 0.000 0.971 655 K CB 0.079 32.529 32.500 -0.083 0.000 0.795 655 K HN -0.049 nan 8.250 nan 0.000 0.459 656 V N 1.856 121.518 119.914 -0.420 0.000 2.591 656 V HA -0.101 4.014 4.120 -0.009 0.000 0.249 656 V C 1.849 177.701 176.094 -0.403 0.000 1.053 656 V CA 1.122 62.942 62.300 -0.800 0.000 1.068 656 V CB -0.154 31.313 31.823 -0.593 0.000 0.689 656 V HN 0.235 nan 8.190 nan 0.000 0.462 657 I N 0.747 121.146 120.570 -0.286 0.000 2.226 657 I HA -0.120 4.044 4.170 -0.009 0.000 0.245 657 I C -0.294 175.718 176.117 -0.175 0.000 1.100 657 I CA 1.555 62.630 61.300 -0.374 0.000 1.374 657 I CB -1.448 36.212 38.000 -0.565 0.000 1.057 657 I HN 0.368 nan 8.210 nan 0.000 0.413 658 P HA -0.091 nan 4.420 nan 0.000 0.225 658 P C 0.896 178.192 177.300 -0.006 0.000 1.148 658 P CA 1.093 64.172 63.100 -0.035 0.000 0.779 658 P CB 0.070 31.758 31.700 -0.020 0.000 0.780 659 A N -1.230 121.568 122.820 -0.038 0.000 2.308 659 A HA 0.499 4.813 4.320 -0.009 0.000 0.217 659 A C 1.129 178.809 177.584 0.160 0.000 1.216 659 A CA 0.040 52.105 52.037 0.047 0.000 0.864 659 A CB -0.577 18.454 19.000 0.051 0.000 0.902 659 A HN 0.187 nan 8.150 nan 0.000 0.499 660 A N -0.185 122.732 122.820 0.161 0.000 2.340 660 A HA 0.493 4.807 4.320 -0.009 0.000 0.268 660 A C 0.338 178.064 177.584 0.237 0.000 1.100 660 A CA -0.169 52.026 52.037 0.263 0.000 0.803 660 A CB 0.385 19.628 19.000 0.405 0.000 1.043 660 A HN 0.255 nan 8.150 nan 0.000 0.488 661 D N 0.266 120.805 120.400 0.231 0.000 2.431 661 D HA 0.134 4.768 4.640 -0.009 0.000 0.235 661 D C -0.001 176.509 176.300 0.350 0.000 0.980 661 D CA 0.691 54.877 54.000 0.311 0.000 0.912 661 D CB 0.305 41.199 40.800 0.157 0.000 1.056 661 D HN 0.358 nan 8.370 nan 0.000 0.494 662 L N 1.138 122.450 121.223 0.148 0.000 2.356 662 L HA 0.305 4.640 4.340 -0.009 0.000 0.277 662 L C -0.832 175.913 176.870 -0.209 0.000 0.996 662 L CA -0.303 54.548 54.840 0.018 0.000 0.822 662 L CB 2.071 44.120 42.059 -0.015 0.000 1.256 662 L HN -0.179 nan 8.230 nan 0.000 0.413 663 S N 4.307 119.793 115.700 -0.356 0.000 2.422 663 S HA 0.322 4.786 4.470 -0.009 0.000 0.308 663 S C -0.388 173.935 174.600 -0.462 0.000 1.097 663 S CA -0.678 57.063 58.200 -0.764 0.000 1.099 663 S CB 0.619 63.303 63.200 -0.860 0.000 0.976 663 S HN 0.554 nan 8.310 nan 0.000 0.471 664 E N 4.125 124.069 120.200 -0.427 0.000 2.089 664 E HA 0.208 4.552 4.350 -0.009 0.000 0.284 664 E C -0.540 175.949 176.600 -0.185 0.000 1.023 664 E CA -0.388 55.886 56.400 -0.211 0.000 0.819 664 E CB 0.959 30.564 29.700 -0.158 0.000 1.076 664 E HN 0.597 nan 8.360 nan 0.000 0.396 665 Q N 2.813 122.558 119.800 -0.091 0.000 3.064 665 Q HA 0.268 4.603 4.340 -0.009 0.000 0.258 665 Q C 0.535 176.524 176.000 -0.019 0.000 0.972 665 Q CA -0.131 55.632 55.803 -0.067 0.000 0.761 665 Q CB 0.317 29.028 28.738 -0.045 0.000 1.281 665 Q HN 0.617 nan 8.270 nan 0.000 0.455 666 I N -1.510 119.036 120.570 -0.041 0.000 3.637 666 I HA 0.287 4.451 4.170 -0.009 0.000 0.342 666 I C 0.368 176.436 176.117 -0.083 0.000 1.545 666 I CA -0.664 60.620 61.300 -0.027 0.000 1.126 666 I CB 0.355 38.346 38.000 -0.015 0.000 1.375 666 I HN 0.007 nan 8.210 nan 0.000 0.467 667 S N 0.339 115.991 115.700 -0.079 0.000 2.584 667 S HA 0.215 4.679 4.470 -0.009 0.000 0.270 667 S C 0.555 175.142 174.600 -0.022 0.000 1.346 667 S CA -0.297 57.877 58.200 -0.043 0.000 1.018 667 S CB 0.487 63.711 63.200 0.040 0.000 0.899 667 S HN 0.394 nan 8.310 nan 0.000 0.542 668 T N 2.580 117.158 114.554 0.041 0.000 2.888 668 T HA 0.400 4.745 4.350 -0.009 0.000 0.301 668 T C 0.722 175.437 174.700 0.024 0.000 1.001 668 T CA 0.202 62.330 62.100 0.048 0.000 1.147 668 T CB 0.075 69.045 68.868 0.171 0.000 0.931 668 T HN 0.996 nan 8.240 nan 0.000 0.541 669 A N 2.706 125.507 122.820 -0.031 0.000 2.580 669 A HA 0.443 4.757 4.320 -0.009 0.000 0.244 669 A C 1.629 179.207 177.584 -0.010 0.000 1.045 669 A CA 0.334 52.348 52.037 -0.038 0.000 0.761 669 A CB -0.932 18.032 19.000 -0.060 0.000 0.962 669 A HN 1.685 nan 8.150 nan 0.000 0.512 670 G N 1.454 110.248 108.800 -0.012 0.000 2.176 670 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.232 670 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.232 670 G C 0.832 175.720 174.900 -0.020 0.000 0.986 670 G CA 1.072 46.166 45.100 -0.010 0.000 0.643 670 G HN 1.975 nan 8.290 nan 0.000 0.522 671 T N -2.562 111.978 114.554 -0.023 0.000 3.018 671 T HA 0.412 4.756 4.350 -0.009 0.000 0.246 671 T C 0.730 175.273 174.700 -0.261 0.000 1.026 671 T CA 1.031 63.050 62.100 -0.135 0.000 1.081 671 T CB 0.579 69.417 68.868 -0.050 0.000 0.970 671 T HN 0.260 nan 8.240 nan 0.000 0.475 672 E N 1.607 121.784 120.200 -0.038 0.000 1.996 672 E HA 0.668 5.012 4.350 -0.009 0.000 0.280 672 E C 1.186 177.733 176.600 -0.089 0.000 1.092 672 E CA 0.046 56.467 56.400 0.034 0.000 0.862 672 E CB 0.732 30.508 29.700 0.127 0.000 1.066 672 E HN 0.343 nan 8.360 nan 0.000 0.396 673 A N 3.404 126.091 122.820 -0.222 0.000 1.903 673 A HA -0.247 4.067 4.320 -0.009 0.000 0.219 673 A C 1.980 179.431 177.584 -0.221 0.000 1.191 673 A CA 2.396 54.160 52.037 -0.454 0.000 0.638 673 A CB -0.301 18.218 19.000 -0.802 0.000 0.823 673 A HN 0.610 nan 8.150 nan 0.000 0.451 674 S N -4.076 111.558 115.700 -0.111 0.000 3.984 674 S HA 0.458 4.922 4.470 -0.009 0.000 0.221 674 S C 0.640 175.229 174.600 -0.018 0.000 1.149 674 S CA 1.388 59.570 58.200 -0.030 0.000 0.950 674 S CB -0.045 63.161 63.200 0.010 0.000 1.216 674 S HN 2.321 nan 8.310 nan 0.000 0.547 675 G N 0.285 109.079 108.800 -0.010 0.000 2.719 675 G HA2 -0.002 3.953 3.960 -0.009 0.000 0.686 675 G HA3 -0.002 3.953 3.960 -0.009 0.000 0.686 675 G C 0.216 175.097 174.900 -0.032 0.000 1.201 675 G CA 0.453 45.544 45.100 -0.015 0.000 0.768 675 G HN 1.326 nan 8.290 nan 0.000 0.629 676 T N -1.915 112.606 114.554 -0.056 0.000 3.010 676 T HA 0.372 4.717 4.350 -0.009 0.000 0.253 676 T C 2.375 176.974 174.700 -0.167 0.000 0.939 676 T CA 1.270 63.309 62.100 -0.102 0.000 0.910 676 T CB 0.273 69.074 68.868 -0.112 0.000 1.226 676 T HN 1.893 nan 8.240 nan 0.000 0.508 677 G N 3.113 111.840 108.800 -0.122 0.000 2.442 677 G HA2 -0.264 3.690 3.960 -0.009 0.000 0.219 677 G HA3 -0.264 3.690 3.960 -0.009 0.000 0.219 677 G C 1.463 176.400 174.900 0.062 0.000 1.141 677 G CA 1.178 46.217 45.100 -0.101 0.000 0.763 677 G HN 0.833 nan 8.290 nan 0.000 0.554 678 N N 0.185 118.915 118.700 0.050 0.000 2.094 678 N HA -0.163 4.572 4.740 -0.009 0.000 0.191 678 N C 2.212 177.728 175.510 0.009 0.000 1.023 678 N CA 1.397 54.485 53.050 0.063 0.000 0.857 678 N CB -0.369 38.105 38.487 -0.021 0.000 1.013 678 N HN 0.350 nan 8.380 nan 0.000 0.426 679 M N 0.778 120.313 119.600 -0.109 0.000 2.175 679 M HA -0.028 4.447 4.480 -0.009 0.000 0.264 679 M C 1.981 178.228 176.300 -0.089 0.000 1.063 679 M CA 1.430 56.646 55.300 -0.141 0.000 1.119 679 M CB -0.090 32.434 32.600 -0.127 0.000 1.377 679 M HN 0.115 nan 8.290 nan 0.000 0.415 680 K N 0.029 120.305 120.400 -0.207 0.000 2.057 680 K HA -0.106 4.208 4.320 -0.009 0.000 0.207 680 K C 1.701 178.175 176.600 -0.211 0.000 1.049 680 K CA 1.349 57.447 56.287 -0.314 0.000 0.931 680 K CB -0.269 31.809 32.500 -0.702 0.000 0.714 680 K HN 0.157 nan 8.250 nan 0.000 0.440 681 F N 1.108 120.990 119.950 -0.113 0.000 2.146 681 F HA -0.100 4.421 4.527 -0.010 0.000 0.298 681 F C 2.547 178.323 175.800 -0.040 0.000 1.096 681 F CA 1.153 59.111 58.000 -0.070 0.000 1.275 681 F CB -0.295 38.653 39.000 -0.087 0.000 1.008 681 F HN -0.014 nan 8.300 nan 0.000 0.480 682 M N -0.467 119.220 119.600 0.145 0.000 2.117 682 M HA -0.181 4.293 4.480 -0.009 0.000 0.262 682 M C 2.060 178.417 176.300 0.096 0.000 1.065 682 M CA 1.552 56.911 55.300 0.099 0.000 1.114 682 M CB -0.213 32.439 32.600 0.087 0.000 1.361 682 M HN 0.259 nan 8.290 nan 0.000 0.408 683 L N 0.742 122.018 121.223 0.088 0.000 2.291 683 L HA -0.051 4.284 4.340 -0.009 0.000 0.214 683 L C 1.226 178.145 176.870 0.080 0.000 1.120 683 L CA 1.527 56.425 54.840 0.098 0.000 0.799 683 L CB -0.547 41.580 42.059 0.112 0.000 0.925 683 L HN 0.340 nan 8.230 nan 0.000 0.446 684 N N -0.110 118.628 118.700 0.064 0.000 2.251 684 N HA 0.178 4.913 4.740 -0.009 0.000 0.217 684 N C 0.839 176.388 175.510 0.065 0.000 1.124 684 N CA 0.776 53.858 53.050 0.053 0.000 0.843 684 N CB 0.565 39.063 38.487 0.018 0.000 1.024 684 N HN 0.399 nan 8.380 nan 0.000 0.501 685 G N 0.499 109.342 108.800 0.072 0.000 2.142 685 G HA2 -0.194 3.761 3.960 -0.009 0.000 0.225 685 G HA3 -0.194 3.761 3.960 -0.009 0.000 0.225 685 G C -0.042 174.928 174.900 0.116 0.000 1.015 685 G CA 0.140 45.284 45.100 0.072 0.000 0.716 685 G HN 0.525 nan 8.290 nan 0.000 0.508 686 A N -0.331 122.567 122.820 0.129 0.000 2.340 686 A HA 0.891 5.206 4.320 -0.009 0.000 0.331 686 A C 0.325 177.916 177.584 0.011 0.000 1.140 686 A CA -0.662 51.467 52.037 0.154 0.000 0.801 686 A CB 1.153 20.302 19.000 0.249 0.000 1.234 686 A HN 0.686 nan 8.150 nan 0.000 0.469 687 L N 0.737 121.928 121.223 -0.055 0.000 2.421 687 L HA 0.479 4.814 4.340 -0.009 0.000 0.263 687 L C 0.208 176.941 176.870 -0.227 0.000 1.122 687 L CA -0.365 54.338 54.840 -0.229 0.000 0.804 687 L CB 1.554 43.391 42.059 -0.368 0.000 1.150 687 L HN 0.698 nan 8.230 nan 0.000 0.457 688 T N 2.451 116.736 114.554 -0.449 0.000 2.797 688 T HA 0.484 4.828 4.350 -0.009 0.000 0.279 688 T C -0.511 174.034 174.700 -0.259 0.000 0.991 688 T CA -0.273 61.537 62.100 -0.482 0.000 0.979 688 T CB 1.631 69.987 68.868 -0.853 0.000 0.943 688 T HN 0.358 nan 8.240 nan 0.000 0.444 689 I N 2.808 123.335 120.570 -0.072 0.000 2.362 689 I HA 0.732 4.896 4.170 -0.009 0.000 0.289 689 I C 0.004 176.262 176.117 0.236 0.000 0.994 689 I CA 0.043 61.424 61.300 0.135 0.000 1.158 689 I CB 0.417 38.440 38.000 0.038 0.000 1.315 689 I HN 0.800 nan 8.210 nan 0.000 0.451 690 G N 3.917 112.932 108.800 0.359 0.000 2.559 690 G HA2 0.439 4.394 3.960 -0.009 0.000 0.291 690 G HA3 0.439 4.394 3.960 -0.009 0.000 0.291 690 G C -0.933 173.898 174.900 -0.115 0.000 1.424 690 G CA -0.356 44.873 45.100 0.214 0.000 0.786 690 G HN 0.574 nan 8.290 nan 0.000 0.485 691 T N -1.494 112.871 114.554 -0.316 0.000 2.874 691 T HA 0.521 4.866 4.350 -0.009 0.000 0.281 691 T C 0.712 175.304 174.700 -0.179 0.000 0.994 691 T CA -0.667 61.174 62.100 -0.430 0.000 1.015 691 T CB 1.153 69.780 68.868 -0.401 0.000 1.028 691 T HN 0.264 nan 8.240 nan 0.000 0.523 692 M N 2.888 122.393 119.600 -0.159 0.000 3.436 692 M HA 0.322 4.797 4.480 -0.009 0.000 0.240 692 M C -0.450 175.803 176.300 -0.079 0.000 1.469 692 M CA -0.051 55.191 55.300 -0.096 0.000 1.622 692 M CB -1.736 30.814 32.600 -0.083 0.000 1.098 692 M HN 0.741 nan 8.290 nan 0.000 0.568 693 D N -0.049 120.311 120.400 -0.067 0.000 2.601 693 D HA 0.682 5.316 4.640 -0.009 0.000 0.230 693 D C 0.695 176.977 176.300 -0.030 0.000 1.106 693 D CA 0.703 54.676 54.000 -0.045 0.000 0.873 693 D CB 1.728 42.502 40.800 -0.043 0.000 1.515 693 D HN 0.596 nan 8.370 nan 0.000 0.468 694 G N 1.579 110.369 108.800 -0.017 0.000 2.627 694 G HA2 -0.248 3.707 3.960 -0.009 0.000 0.312 694 G HA3 -0.248 3.707 3.960 -0.009 0.000 0.312 694 G C 1.050 175.945 174.900 -0.008 0.000 1.299 694 G CA 1.109 46.203 45.100 -0.010 0.000 0.989 694 G HN 1.084 nan 8.290 nan 0.000 0.547 695 A N -0.397 122.415 122.820 -0.013 0.000 2.168 695 A HA 0.063 4.377 4.320 -0.009 0.000 0.215 695 A C 2.126 179.655 177.584 -0.092 0.000 1.152 695 A CA 1.933 53.959 52.037 -0.019 0.000 0.716 695 A CB -0.469 18.510 19.000 -0.035 0.000 0.794 695 A HN 0.627 nan 8.150 nan 0.000 0.465 696 N N 0.462 119.116 118.700 -0.077 0.000 2.137 696 N HA -0.150 4.585 4.740 -0.009 0.000 0.190 696 N C 1.592 176.994 175.510 -0.180 0.000 1.017 696 N CA 1.589 54.592 53.050 -0.079 0.000 0.859 696 N CB -0.598 37.893 38.487 0.006 0.000 1.002 696 N HN 0.288 nan 8.380 nan 0.000 0.428 697 V N 1.286 121.131 119.914 -0.115 0.000 2.332 697 V HA -0.215 3.899 4.120 -0.009 0.000 0.248 697 V C 1.932 177.955 176.094 -0.118 0.000 1.055 697 V CA 1.697 63.925 62.300 -0.119 0.000 1.038 697 V CB -0.480 31.305 31.823 -0.064 0.000 0.651 697 V HN 0.367 nan 8.190 nan 0.000 0.450 698 E N -0.650 119.530 120.200 -0.032 0.000 2.158 698 E HA -0.119 4.225 4.350 -0.009 0.000 0.191 698 E C 2.202 178.889 176.600 0.145 0.000 0.982 698 E CA 0.974 57.421 56.400 0.080 0.000 0.823 698 E CB -0.175 29.653 29.700 0.212 0.000 0.766 698 E HN 0.543 nan 8.360 nan 0.000 0.468 699 M N 0.539 120.112 119.600 -0.045 0.000 2.086 699 M HA -0.132 4.342 4.480 -0.009 0.000 0.261 699 M C 2.501 178.518 176.300 -0.472 0.000 1.067 699 M CA 1.554 56.740 55.300 -0.189 0.000 1.116 699 M CB -0.189 32.170 32.600 -0.402 0.000 1.348 699 M HN 0.137 nan 8.290 nan 0.000 0.407 700 A N -0.208 122.064 122.820 -0.914 0.000 1.972 700 A HA -0.214 4.101 4.320 -0.009 0.000 0.219 700 A C 1.979 179.349 177.584 -0.357 0.000 1.169 700 A CA 1.927 53.396 52.037 -0.947 0.000 0.635 700 A CB -0.782 17.735 19.000 -0.806 0.000 0.810 700 A HN 0.594 nan 8.150 nan 0.000 0.446 701 E N -0.436 119.631 120.200 -0.221 0.000 2.106 701 E HA -0.193 4.151 4.350 -0.009 0.000 0.192 701 E C 1.747 178.309 176.600 -0.063 0.000 0.984 701 E CA 1.133 57.468 56.400 -0.108 0.000 0.806 701 E CB -0.042 29.617 29.700 -0.068 0.000 0.750 701 E HN 0.550 nan 8.360 nan 0.000 0.458 702 E N 0.107 120.292 120.200 -0.024 0.000 2.072 702 E HA -0.111 4.234 4.350 -0.009 0.000 0.190 702 E C 1.843 178.453 176.600 0.016 0.000 0.982 702 E CA 1.120 57.529 56.400 0.016 0.000 0.803 702 E CB -0.134 29.626 29.700 0.101 0.000 0.755 702 E HN 0.347 nan 8.360 nan 0.000 0.453 703 A N 0.362 123.190 122.820 0.014 0.000 2.081 703 A HA 0.344 4.659 4.320 -0.009 0.000 0.214 703 A C 1.034 178.622 177.584 0.007 0.000 1.158 703 A CA 1.089 53.151 52.037 0.041 0.000 0.724 703 A CB 0.064 19.140 19.000 0.128 0.000 0.826 703 A HN 0.250 nan 8.150 nan 0.000 0.463 704 G N -0.505 108.271 108.800 -0.039 0.000 3.067 704 G HA2 -0.076 3.879 3.960 -0.009 0.000 0.686 704 G HA3 -0.076 3.879 3.960 -0.009 0.000 0.686 704 G C -0.055 174.818 174.900 -0.045 0.000 1.119 704 G CA -0.021 45.054 45.100 -0.041 0.000 0.790 704 G HN 0.236 nan 8.290 nan 0.000 0.605 705 E N 0.938 121.102 120.200 -0.059 0.000 2.209 705 E HA -0.168 4.177 4.350 -0.009 0.000 0.196 705 E C 1.953 178.534 176.600 -0.031 0.000 0.993 705 E CA 1.716 58.091 56.400 -0.042 0.000 0.819 705 E CB 0.090 29.765 29.700 -0.042 0.000 0.745 705 E HN 0.759 nan 8.360 nan 0.000 0.477 706 E N 0.671 120.841 120.200 -0.050 0.000 2.338 706 E HA -0.078 4.267 4.350 -0.009 0.000 0.197 706 E C 0.953 177.463 176.600 -0.150 0.000 1.007 706 E CA 0.583 56.933 56.400 -0.083 0.000 0.849 706 E CB -0.008 29.657 29.700 -0.059 0.000 0.774 706 E HN 0.157 nan 8.360 nan 0.000 0.506 707 N N -0.363 118.277 118.700 -0.100 0.000 2.251 707 N HA 0.142 4.877 4.740 -0.009 0.000 0.217 707 N C -0.937 174.495 175.510 -0.129 0.000 1.124 707 N CA 0.077 53.042 53.050 -0.140 0.000 0.843 707 N CB 0.412 38.875 38.487 -0.041 0.000 1.024 707 N HN 0.046 nan 8.380 nan 0.000 0.501 708 F N -0.363 119.358 119.950 -0.382 0.000 2.588 708 F HA 0.418 4.939 4.527 -0.010 0.000 0.314 708 F C -0.785 174.763 175.800 -0.420 0.000 1.069 708 F CA -1.147 56.663 58.000 -0.318 0.000 0.931 708 F CB 1.319 40.234 39.000 -0.142 0.000 1.260 708 F HN -0.223 nan 8.300 nan 0.000 0.465 709 F N 4.964 124.907 119.950 -0.011 0.000 2.359 709 F HA 0.424 4.945 4.527 -0.009 0.000 0.355 709 F C -0.440 175.478 175.800 0.197 0.000 1.132 709 F CA -0.563 57.471 58.000 0.056 0.000 1.246 709 F CB -0.075 38.905 39.000 -0.032 0.000 1.569 709 F HN 0.017 nan 8.300 nan 0.000 0.561 710 I N 3.904 124.667 120.570 0.323 0.000 2.440 710 I HA 0.443 4.607 4.170 -0.009 0.000 0.294 710 I C -0.113 176.191 176.117 0.311 0.000 0.995 710 I CA -0.599 60.861 61.300 0.267 0.000 1.306 710 I CB 0.559 38.641 38.000 0.138 0.000 1.407 710 I HN 0.344 nan 8.210 nan 0.000 0.501 711 F N 2.510 122.524 119.950 0.106 0.000 2.745 711 F HA 0.916 5.437 4.527 -0.010 0.000 0.316 711 F C 0.074 175.913 175.800 0.065 0.000 1.155 711 F CA -0.670 57.383 58.000 0.088 0.000 0.937 711 F CB 0.786 39.851 39.000 0.109 0.000 1.361 711 F HN 0.906 nan 8.300 nan 0.000 0.472 712 G N 0.906 109.757 108.800 0.085 0.000 2.782 712 G HA2 -0.091 3.864 3.960 -0.009 0.000 0.228 712 G HA3 -0.091 3.864 3.960 -0.009 0.000 0.228 712 G C -0.836 174.028 174.900 -0.060 0.000 1.372 712 G CA -0.544 44.537 45.100 -0.033 0.000 0.862 712 G HN 0.956 nan 8.290 nan 0.000 0.547 713 M N 0.708 120.284 119.600 -0.039 0.000 2.248 713 M HA 0.275 4.749 4.480 -0.009 0.000 0.337 713 M C 1.172 177.436 176.300 -0.060 0.000 1.121 713 M CA 0.047 55.333 55.300 -0.023 0.000 1.155 713 M CB 0.362 32.958 32.600 -0.007 0.000 1.514 713 M HN 0.511 nan 8.290 nan 0.000 0.452 714 R N 1.414 121.893 120.500 -0.036 0.000 2.549 714 R HA 0.314 4.648 4.340 -0.009 0.000 0.259 714 R C 1.195 177.476 176.300 -0.031 0.000 1.095 714 R CA -0.576 55.498 56.100 -0.042 0.000 1.148 714 R CB 0.208 30.490 30.300 -0.029 0.000 1.181 714 R HN 0.574 nan 8.270 nan 0.000 0.571 715 V N 1.528 121.422 119.914 -0.032 0.000 2.324 715 V HA -0.276 3.839 4.120 -0.009 0.000 0.250 715 V C 1.814 177.898 176.094 -0.017 0.000 1.060 715 V CA 2.027 64.312 62.300 -0.025 0.000 1.042 715 V CB -0.460 31.346 31.823 -0.027 0.000 0.650 715 V HN 0.622 nan 8.190 nan 0.000 0.450 716 E N 0.143 120.335 120.200 -0.014 0.000 2.110 716 E HA -0.181 4.164 4.350 -0.009 0.000 0.193 716 E C 1.959 178.562 176.600 0.005 0.000 0.988 716 E CA 1.341 57.738 56.400 -0.005 0.000 0.804 716 E CB -0.405 29.292 29.700 -0.004 0.000 0.745 716 E HN 0.619 nan 8.360 nan 0.000 0.458 717 D N -0.192 120.213 120.400 0.007 0.000 2.144 717 D HA -0.094 4.541 4.640 -0.009 0.000 0.200 717 D C 1.965 178.279 176.300 0.024 0.000 0.978 717 D CA 0.811 54.825 54.000 0.023 0.000 0.833 717 D CB -0.070 40.747 40.800 0.027 0.000 0.961 717 D HN 0.062 nan 8.370 nan 0.000 0.470 718 V N 1.895 121.811 119.914 0.003 0.000 2.343 718 V HA -0.198 3.916 4.120 -0.009 0.000 0.247 718 V C 1.978 178.072 176.094 -0.000 0.000 1.051 718 V CA 1.606 63.901 62.300 -0.009 0.000 1.036 718 V CB -0.358 31.450 31.823 -0.025 0.000 0.654 718 V HN 0.070 nan 8.190 nan 0.000 0.451 719 D N -0.131 120.270 120.400 0.001 0.000 2.117 719 D HA -0.146 4.489 4.640 -0.009 0.000 0.197 719 D C 2.410 178.722 176.300 0.020 0.000 0.987 719 D CA 1.166 55.169 54.000 0.005 0.000 0.829 719 D CB -0.188 40.612 40.800 -0.001 0.000 0.961 719 D HN 0.380 nan 8.370 nan 0.000 0.460 720 R N 0.252 120.769 120.500 0.028 0.000 2.081 720 R HA -0.025 4.310 4.340 -0.009 0.000 0.235 720 R C 2.554 178.890 176.300 0.061 0.000 1.131 720 R CA 0.499 56.624 56.100 0.041 0.000 0.960 720 R CB -0.342 29.985 30.300 0.044 0.000 0.856 720 R HN 0.181 nan 8.270 nan 0.000 0.436 721 L N 0.671 121.939 121.223 0.075 0.000 2.083 721 L HA -0.219 4.116 4.340 -0.009 0.000 0.209 721 L C 1.565 178.501 176.870 0.111 0.000 1.083 721 L CA 1.330 56.242 54.840 0.119 0.000 0.752 721 L CB -0.278 41.863 42.059 0.137 0.000 0.899 721 L HN 0.253 nan 8.230 nan 0.000 0.433 722 D N -0.614 119.825 120.400 0.065 0.000 2.117 722 D HA -0.191 4.443 4.640 -0.009 0.000 0.198 722 D C 2.206 178.538 176.300 0.053 0.000 0.982 722 D CA 1.061 55.093 54.000 0.054 0.000 0.828 722 D CB -0.061 40.749 40.800 0.018 0.000 0.967 722 D HN 0.447 nan 8.370 nan 0.000 0.464 723 Q N 0.128 119.954 119.800 0.044 0.000 2.124 723 Q HA -0.118 4.216 4.340 -0.009 0.000 0.202 723 Q C 2.201 178.228 176.000 0.046 0.000 0.977 723 Q CA 0.887 56.713 55.803 0.038 0.000 0.850 723 Q CB 0.026 28.782 28.738 0.030 0.000 0.901 723 Q HN 0.163 nan 8.270 nan 0.000 0.429 724 R N -0.106 120.430 120.500 0.060 0.000 2.127 724 R HA 0.048 4.383 4.340 -0.009 0.000 0.217 724 R C -0.153 176.191 176.300 0.073 0.000 1.074 724 R CA 0.884 57.022 56.100 0.063 0.000 0.991 724 R CB 0.406 30.750 30.300 0.073 0.000 0.895 724 R HN 0.241 nan 8.270 nan 0.000 0.450 725 G N 0.415 109.273 108.800 0.097 0.000 3.434 725 G HA2 -0.252 3.702 3.960 -0.009 0.000 0.686 725 G HA3 -0.252 3.702 3.960 -0.009 0.000 0.686 725 G C -1.375 173.624 174.900 0.165 0.000 1.099 725 G CA -0.368 44.798 45.100 0.110 0.000 0.931 725 G HN 0.276 nan 8.290 nan 0.000 0.520 726 Y N 3.868 124.205 120.300 0.062 0.000 2.436 726 Y HA 0.545 5.089 4.550 -0.009 0.000 0.336 726 Y C 0.350 176.310 175.900 0.100 0.000 1.049 726 Y CA -0.879 57.276 58.100 0.092 0.000 1.294 726 Y CB 0.921 39.415 38.460 0.057 0.000 1.179 726 Y HN 0.562 nan 8.280 nan 0.000 0.520 727 N N 5.275 123.756 118.700 -0.365 0.000 2.569 727 N HA 0.267 5.001 4.740 -0.009 0.000 0.254 727 N C 0.165 175.427 175.510 -0.412 0.000 1.004 727 N CA 0.352 53.202 53.050 -0.334 0.000 0.904 727 N CB 1.549 39.970 38.487 -0.111 0.000 1.165 727 N HN 0.885 nan 8.380 nan 0.000 0.513 728 A N 3.012 125.481 122.820 -0.586 0.000 1.972 728 A HA -0.215 4.100 4.320 -0.009 0.000 0.219 728 A C 1.920 179.626 177.584 0.203 0.000 1.169 728 A CA 1.425 53.359 52.037 -0.172 0.000 0.635 728 A CB -0.332 18.494 19.000 -0.290 0.000 0.810 728 A HN 0.735 nan 8.150 nan 0.000 0.446 729 Q N 0.308 120.123 119.800 0.025 0.000 2.152 729 Q HA -0.243 4.091 4.340 -0.009 0.000 0.206 729 Q C 1.878 177.946 176.000 0.114 0.000 0.985 729 Q CA 2.361 58.194 55.803 0.051 0.000 0.863 729 Q CB -0.384 28.341 28.738 -0.021 0.000 0.904 729 Q HN 0.787 nan 8.270 nan 0.000 0.422 730 E N -1.446 118.773 120.200 0.032 0.000 2.085 730 E HA -0.236 4.108 4.350 -0.009 0.000 0.194 730 E C 1.542 178.084 176.600 -0.097 0.000 0.994 730 E CA 1.421 57.773 56.400 -0.080 0.000 0.801 730 E CB -0.237 29.323 29.700 -0.233 0.000 0.743 730 E HN 0.595 nan 8.360 nan 0.000 0.453 731 Y N -1.075 119.291 120.300 0.111 0.000 2.242 731 Y HA -0.191 4.353 4.550 -0.009 0.000 0.291 731 Y C 2.192 178.097 175.900 0.009 0.000 1.137 731 Y CA 1.467 59.621 58.100 0.090 0.000 1.181 731 Y CB -0.629 37.931 38.460 0.167 0.000 0.989 731 Y HN 0.242 nan 8.280 nan 0.000 0.527 732 Y N 1.257 121.589 120.300 0.054 0.000 2.224 732 Y HA -0.235 4.310 4.550 -0.009 0.000 0.289 732 Y C 1.688 177.557 175.900 -0.052 0.000 1.146 732 Y CA 1.713 59.768 58.100 -0.074 0.000 1.182 732 Y CB -0.348 38.117 38.460 0.009 0.000 0.983 732 Y HN 0.077 nan 8.280 nan 0.000 0.524 733 D N -0.327 120.194 120.400 0.202 0.000 2.224 733 D HA -0.068 4.566 4.640 -0.009 0.000 0.205 733 D C 1.784 178.074 176.300 -0.017 0.000 0.965 733 D CA 1.052 55.109 54.000 0.095 0.000 0.852 733 D CB -0.078 40.781 40.800 0.099 0.000 0.947 733 D HN 0.473 nan 8.370 nan 0.000 0.494 734 R N -0.092 120.392 120.500 -0.027 0.000 2.312 734 R HA 0.281 4.616 4.340 -0.009 0.000 0.205 734 R C 0.395 176.676 176.300 -0.032 0.000 0.904 734 R CA 0.104 56.183 56.100 -0.035 0.000 1.052 734 R CB 1.170 31.444 30.300 -0.045 0.000 1.014 734 R HN 0.146 nan 8.270 nan 0.000 0.503 735 I N 2.030 122.562 120.570 -0.063 0.000 2.464 735 I HA 0.224 4.388 4.170 -0.009 0.000 0.277 735 I C -1.977 174.048 176.117 -0.153 0.000 1.040 735 I CA -2.356 58.910 61.300 -0.058 0.000 1.153 735 I CB 2.121 40.121 38.000 -0.000 0.000 1.274 735 I HN -0.309 nan 8.210 nan 0.000 0.469 736 P HA -0.198 nan 4.420 nan 0.000 0.215 736 P C 1.195 178.398 177.300 -0.160 0.000 1.157 736 P CA 1.540 64.551 63.100 -0.148 0.000 0.874 736 P CB 0.297 31.944 31.700 -0.089 0.000 0.790 737 E N -1.129 119.015 120.200 -0.093 0.000 2.110 737 E HA -0.179 4.165 4.350 -0.009 0.000 0.193 737 E C 1.885 178.383 176.600 -0.169 0.000 0.988 737 E CA 0.732 57.089 56.400 -0.070 0.000 0.804 737 E CB -0.610 29.119 29.700 0.048 0.000 0.745 737 E HN 0.122 nan 8.360 nan 0.000 0.458 738 L N 1.241 122.281 121.223 -0.304 0.000 2.072 738 L HA -0.121 4.214 4.340 -0.009 0.000 0.205 738 L C 2.352 178.936 176.870 -0.478 0.000 1.079 738 L CA 1.630 56.117 54.840 -0.588 0.000 0.752 738 L CB -0.317 41.258 42.059 -0.807 0.000 0.906 738 L HN -0.092 nan 8.230 nan 0.000 0.436 739 R N -0.731 119.460 120.500 -0.515 0.000 2.091 739 R HA -0.251 4.084 4.340 -0.009 0.000 0.238 739 R C 2.388 178.488 176.300 -0.334 0.000 1.136 739 R CA 2.016 57.701 56.100 -0.691 0.000 0.959 739 R CB -0.368 29.458 30.300 -0.790 0.000 0.856 739 R HN 0.648 nan 8.270 nan 0.000 0.437 740 Q N 0.493 120.148 119.800 -0.241 0.000 2.096 740 Q HA -0.191 4.144 4.340 -0.009 0.000 0.204 740 Q C 2.061 177.995 176.000 -0.110 0.000 0.982 740 Q CA 2.034 57.746 55.803 -0.151 0.000 0.850 740 Q CB -0.146 28.510 28.738 -0.136 0.000 0.901 740 Q HN 0.486 nan 8.270 nan 0.000 0.422 741 I N 0.622 121.123 120.570 -0.115 0.000 2.179 741 I HA -0.279 3.886 4.170 -0.009 0.000 0.242 741 I C 2.132 178.260 176.117 0.017 0.000 1.088 741 I CA 0.684 61.956 61.300 -0.047 0.000 1.357 741 I CB -0.311 37.637 38.000 -0.086 0.000 1.051 741 I HN 0.321 nan 8.210 nan 0.000 0.409 742 I N 0.811 121.390 120.570 0.015 0.000 2.361 742 I HA -0.227 3.937 4.170 -0.009 0.000 0.251 742 I C 2.402 178.614 176.117 0.158 0.000 1.133 742 I CA 1.633 63.016 61.300 0.138 0.000 1.413 742 I CB -1.192 36.981 38.000 0.289 0.000 1.073 742 I HN 0.366 nan 8.210 nan 0.000 0.424 743 E N 0.246 120.514 120.200 0.113 0.000 2.152 743 E HA -0.188 4.156 4.350 -0.009 0.000 0.192 743 E C 2.101 178.758 176.600 0.094 0.000 0.983 743 E CA 0.631 57.095 56.400 0.107 0.000 0.818 743 E CB -0.062 29.676 29.700 0.062 0.000 0.758 743 E HN 0.591 nan 8.360 nan 0.000 0.467 744 Q N 0.480 120.315 119.800 0.059 0.000 2.119 744 Q HA -0.090 4.245 4.340 -0.009 0.000 0.201 744 Q C 2.303 178.452 176.000 0.248 0.000 0.972 744 Q CA 0.878 56.717 55.803 0.058 0.000 0.847 744 Q CB 0.025 28.681 28.738 -0.137 0.000 0.903 744 Q HN 0.294 nan 8.270 nan 0.000 0.433 745 L N -0.128 121.258 121.223 0.271 0.000 2.056 745 L HA -0.145 4.189 4.340 -0.009 0.000 0.207 745 L C 2.358 179.403 176.870 0.293 0.000 1.078 745 L CA 0.904 55.938 54.840 0.323 0.000 0.749 745 L CB -0.260 41.918 42.059 0.198 0.000 0.901 745 L HN 0.125 nan 8.230 nan 0.000 0.433 746 S N -0.388 115.440 115.700 0.213 0.000 2.406 746 S HA -0.123 4.341 4.470 -0.009 0.000 0.228 746 S C 2.058 176.753 174.600 0.158 0.000 1.020 746 S CA 1.359 59.665 58.200 0.177 0.000 0.965 746 S CB -0.145 63.140 63.200 0.143 0.000 0.798 746 S HN 0.582 nan 8.310 nan 0.000 0.488 747 S N 0.486 116.281 115.700 0.158 0.000 2.562 747 S HA 0.333 4.797 4.470 -0.009 0.000 0.221 747 S C 1.440 176.123 174.600 0.137 0.000 0.975 747 S CA 0.625 58.904 58.200 0.131 0.000 0.918 747 S CB -0.079 63.192 63.200 0.119 0.000 0.772 747 S HN 0.774 nan 8.310 nan 0.000 0.531 748 G N 0.704 109.617 108.800 0.188 0.000 2.131 748 G HA2 -0.286 3.668 3.960 -0.009 0.000 0.223 748 G HA3 -0.286 3.668 3.960 -0.009 0.000 0.223 748 G C 0.177 175.161 174.900 0.138 0.000 0.990 748 G CA 0.119 45.320 45.100 0.168 0.000 0.671 748 G HN 0.528 nan 8.290 nan 0.000 0.521 749 F N 0.338 120.278 119.950 -0.017 0.000 2.161 749 F HA 0.199 4.721 4.527 -0.009 0.000 0.300 749 F C 1.806 177.401 175.800 -0.341 0.000 1.089 749 F CA 1.836 59.702 58.000 -0.224 0.000 1.282 749 F CB -0.057 38.717 39.000 -0.376 0.000 1.010 749 F HN 0.161 nan 8.300 nan 0.000 0.485 750 F N -0.224 119.891 119.950 0.275 0.000 2.693 750 F HA 0.211 4.733 4.527 -0.009 0.000 0.303 750 F C 0.705 176.619 175.800 0.190 0.000 1.097 750 F CA 0.272 58.383 58.000 0.185 0.000 1.330 750 F CB -0.180 38.934 39.000 0.189 0.000 1.067 750 F HN 0.006 nan 8.300 nan 0.000 0.565 751 S N -2.185 113.660 115.700 0.242 0.000 2.605 751 S HA 0.310 4.774 4.470 -0.009 0.000 0.142 751 S C -2.409 172.209 174.600 0.030 0.000 1.452 751 S CA -0.989 57.285 58.200 0.123 0.000 1.240 751 S CB 0.732 63.971 63.200 0.065 0.000 1.538 751 S HN -0.172 nan 8.310 nan 0.000 0.394 752 P HA -0.168 nan 4.420 nan 0.000 0.216 752 P C 1.219 178.504 177.300 -0.026 0.000 1.157 752 P CA 1.564 64.635 63.100 -0.048 0.000 0.880 752 P CB 0.080 31.727 31.700 -0.089 0.000 0.791 753 K N -1.214 119.173 120.400 -0.022 0.000 2.288 753 K HA -0.041 4.273 4.320 -0.009 0.000 0.201 753 K C 0.676 177.270 176.600 -0.010 0.000 1.048 753 K CA 0.878 57.156 56.287 -0.015 0.000 0.956 753 K CB -0.037 32.456 32.500 -0.012 0.000 0.746 753 K HN 0.342 nan 8.250 nan 0.000 0.461 754 Q N -0.340 119.453 119.800 -0.013 0.000 3.122 754 Q HA 0.151 4.485 4.340 -0.009 0.000 0.282 754 Q C -2.371 173.617 176.000 -0.020 0.000 0.947 754 Q CA -1.587 54.203 55.803 -0.021 0.000 0.812 754 Q CB 1.534 30.250 28.738 -0.036 0.000 1.333 754 Q HN -0.091 nan 8.270 nan 0.000 0.430 755 P HA -0.259 nan 4.420 nan 0.000 0.218 755 P C 0.664 177.996 177.300 0.053 0.000 1.154 755 P CA 1.683 64.806 63.100 0.039 0.000 0.872 755 P CB 0.176 31.898 31.700 0.035 0.000 0.790 756 D N -1.581 118.836 120.400 0.028 0.000 2.358 756 D HA -0.007 4.627 4.640 -0.009 0.000 0.224 756 D C 1.554 177.852 176.300 -0.003 0.000 1.123 756 D CA -0.240 53.784 54.000 0.041 0.000 0.833 756 D CB -0.852 39.973 40.800 0.041 0.000 0.946 756 D HN 0.026 nan 8.370 nan 0.000 0.505 757 L N -0.091 121.067 121.223 -0.109 0.000 2.043 757 L HA -0.067 4.268 4.340 -0.009 0.000 0.212 757 L C 1.083 177.737 176.870 -0.361 0.000 1.075 757 L CA 1.693 56.352 54.840 -0.302 0.000 0.752 757 L CB -0.662 41.042 42.059 -0.592 0.000 0.891 757 L HN 0.013 nan 8.230 nan 0.000 0.432 758 F N -0.377 119.628 119.950 0.092 0.000 2.730 758 F HA 0.140 4.662 4.527 -0.009 0.000 0.295 758 F C 1.832 177.683 175.800 0.085 0.000 1.143 758 F CA -0.152 57.893 58.000 0.075 0.000 1.367 758 F CB -0.362 38.672 39.000 0.056 0.000 0.970 758 F HN 0.124 nan 8.300 nan 0.000 0.514 759 K N -0.368 120.146 120.400 0.191 0.000 2.097 759 K HA -0.176 4.138 4.320 -0.009 0.000 0.206 759 K C 0.953 177.653 176.600 0.167 0.000 1.049 759 K CA 1.893 58.276 56.287 0.160 0.000 0.933 759 K CB -0.251 32.319 32.500 0.117 0.000 0.717 759 K HN 0.112 nan 8.250 nan 0.000 0.442 760 D N 1.356 121.870 120.400 0.189 0.000 2.144 760 D HA -0.090 4.545 4.640 -0.009 0.000 0.199 760 D C 2.088 178.500 176.300 0.186 0.000 0.984 760 D CA 1.142 55.267 54.000 0.208 0.000 0.834 760 D CB -0.102 40.864 40.800 0.278 0.000 0.955 760 D HN 0.322 nan 8.370 nan 0.000 0.465 761 I N 0.596 121.275 120.570 0.183 0.000 2.202 761 I HA -0.206 3.959 4.170 -0.009 0.000 0.242 761 I C 2.474 178.634 176.117 0.072 0.000 1.091 761 I CA 0.587 61.959 61.300 0.121 0.000 1.368 761 I CB -0.211 37.857 38.000 0.112 0.000 1.058 761 I HN -0.127 nan 8.210 nan 0.000 0.410 762 V N 1.274 121.248 119.914 0.100 0.000 2.343 762 V HA -0.298 3.816 4.120 -0.009 0.000 0.247 762 V C 2.244 178.325 176.094 -0.021 0.000 1.051 762 V CA 2.355 64.693 62.300 0.063 0.000 1.036 762 V CB -0.971 30.916 31.823 0.107 0.000 0.654 762 V HN 0.481 nan 8.190 nan 0.000 0.451 763 N N -0.104 118.612 118.700 0.027 0.000 2.084 763 N HA -0.208 4.526 4.740 -0.009 0.000 0.190 763 N C 1.854 177.215 175.510 -0.249 0.000 1.030 763 N CA 1.859 54.919 53.050 0.017 0.000 0.849 763 N CB -0.288 38.295 38.487 0.160 0.000 1.012 763 N HN 0.328 nan 8.380 nan 0.000 0.423 764 M N -0.187 119.300 119.600 -0.188 0.000 2.067 764 M HA -0.104 4.370 4.480 -0.009 0.000 0.260 764 M C 1.512 177.610 176.300 -0.338 0.000 1.069 764 M CA 1.307 56.409 55.300 -0.331 0.000 1.117 764 M CB -0.709 31.936 32.600 0.076 0.000 1.334 764 M HN 0.221 nan 8.290 nan 0.000 0.407 765 L N 0.764 121.835 121.223 -0.254 0.000 2.042 765 L HA -0.227 4.108 4.340 -0.009 0.000 0.210 765 L C 2.462 178.981 176.870 -0.586 0.000 1.076 765 L CA 1.727 56.319 54.840 -0.415 0.000 0.749 765 L CB -0.998 40.863 42.059 -0.331 0.000 0.893 765 L HN 0.357 nan 8.230 nan 0.000 0.432 766 M N -2.116 117.186 119.600 -0.496 0.000 2.334 766 M HA -0.047 4.428 4.480 -0.009 0.000 0.266 766 M C 1.807 177.660 176.300 -0.745 0.000 1.082 766 M CA 1.329 56.258 55.300 -0.618 0.000 1.141 766 M CB -0.735 31.419 32.600 -0.744 0.000 1.380 766 M HN 0.335 nan 8.290 nan 0.000 0.440 767 H N -1.774 117.112 119.070 -0.307 0.000 2.927 767 H HA 0.194 4.744 4.556 -0.009 0.000 0.255 767 H C 0.074 175.316 175.328 -0.144 0.000 0.974 767 H CA 0.637 56.549 56.048 -0.228 0.000 1.199 767 H CB 0.287 29.959 29.762 -0.150 0.000 1.447 767 H HN 0.545 nan 8.280 nan 0.000 0.467 768 H N -1.216 117.910 119.070 0.093 0.000 2.947 768 H HA 0.267 4.817 4.556 -0.009 0.000 0.222 768 H C -1.167 174.187 175.328 0.043 0.000 1.414 768 H CA -0.682 55.411 56.048 0.074 0.000 1.224 768 H CB -0.098 29.710 29.762 0.077 0.000 2.100 768 H HN -0.112 nan 8.280 nan 0.000 0.524 769 D N 1.360 121.795 120.400 0.058 0.000 2.411 769 D HA 0.140 4.774 4.640 -0.009 0.000 0.225 769 D C 0.861 177.122 176.300 -0.064 0.000 1.156 769 D CA -0.451 53.564 54.000 0.025 0.000 0.874 769 D CB 0.755 41.540 40.800 -0.025 0.000 1.034 769 D HN 0.460 nan 8.370 nan 0.000 0.502 770 R N 2.353 122.723 120.500 -0.215 0.000 2.237 770 R HA -0.024 4.311 4.340 -0.009 0.000 0.219 770 R C 0.625 176.422 176.300 -0.839 0.000 1.080 770 R CA 0.815 56.578 56.100 -0.561 0.000 0.995 770 R CB 0.087 29.883 30.300 -0.840 0.000 0.875 770 R HN 0.409 nan 8.270 nan 0.000 0.462 771 F N 0.648 120.570 119.950 -0.047 0.000 2.639 771 F HA 0.254 4.775 4.527 -0.009 0.000 0.302 771 F C 0.071 175.755 175.800 -0.193 0.000 1.097 771 F CA -0.663 57.291 58.000 -0.076 0.000 1.294 771 F CB 0.089 39.104 39.000 0.025 0.000 1.027 771 F HN -0.242 nan 8.300 nan 0.000 0.550 772 K N -0.352 119.852 120.400 -0.327 0.000 3.278 772 K HA -0.187 4.128 4.320 -0.009 0.000 0.270 772 K C 1.013 177.498 176.600 -0.192 0.000 0.955 772 K CA 0.177 56.105 56.287 -0.599 0.000 0.723 772 K CB -1.812 30.253 32.500 -0.724 0.000 1.382 772 K HN 0.217 nan 8.250 nan 0.000 0.461 773 V N 0.013 119.895 119.914 -0.052 0.000 2.287 773 V HA -0.280 3.834 4.120 -0.009 0.000 0.248 773 V C 1.965 178.206 176.094 0.245 0.000 1.053 773 V CA 2.241 64.590 62.300 0.082 0.000 1.027 773 V CB -0.495 31.380 31.823 0.086 0.000 0.646 773 V HN 0.510 nan 8.190 nan 0.000 0.447 774 F N 0.233 120.190 119.950 0.011 0.000 2.171 774 F HA -0.179 4.342 4.527 -0.009 0.000 0.300 774 F C 2.538 178.139 175.800 -0.332 0.000 1.090 774 F CA 0.636 58.590 58.000 -0.078 0.000 1.293 774 F CB -0.395 38.572 39.000 -0.055 0.000 1.013 774 F HN 0.199 nan 8.300 nan 0.000 0.486 775 A N -0.487 122.179 122.820 -0.257 0.000 2.024 775 A HA -0.207 4.108 4.320 -0.009 0.000 0.220 775 A C 1.445 179.020 177.584 -0.016 0.000 1.164 775 A CA 1.947 53.753 52.037 -0.385 0.000 0.643 775 A CB -0.463 18.439 19.000 -0.164 0.000 0.806 775 A HN 0.251 nan 8.150 nan 0.000 0.451 776 D N -2.982 117.471 120.400 0.088 0.000 2.398 776 D HA 0.098 4.733 4.640 -0.009 0.000 0.210 776 D C 1.116 177.577 176.300 0.270 0.000 1.094 776 D CA -0.099 54.024 54.000 0.205 0.000 0.839 776 D CB -0.096 40.834 40.800 0.217 0.000 0.963 776 D HN 0.585 nan 8.370 nan 0.000 0.506 777 Y N 2.103 122.484 120.300 0.135 0.000 2.097 777 Y HA -0.233 4.312 4.550 -0.009 0.000 0.282 777 Y C 2.138 178.123 175.900 0.141 0.000 1.152 777 Y CA 1.926 60.115 58.100 0.149 0.000 1.136 777 Y CB 0.205 38.716 38.460 0.086 0.000 0.975 777 Y HN -0.105 nan 8.280 nan 0.000 0.498 778 E N -0.279 119.980 120.200 0.099 0.000 2.038 778 E HA -0.233 4.112 4.350 -0.009 0.000 0.195 778 E C 2.097 178.665 176.600 -0.054 0.000 1.000 778 E CA 1.443 57.831 56.400 -0.020 0.000 0.803 778 E CB -0.087 29.703 29.700 0.149 0.000 0.750 778 E HN 0.513 nan 8.360 nan 0.000 0.448 779 E N -0.014 120.232 120.200 0.077 0.000 2.153 779 E HA -0.186 4.158 4.350 -0.009 0.000 0.194 779 E C 1.802 178.403 176.600 0.001 0.000 0.988 779 E CA 0.724 57.190 56.400 0.110 0.000 0.811 779 E CB -0.325 29.527 29.700 0.253 0.000 0.746 779 E HN 0.366 nan 8.360 nan 0.000 0.466 780 Y N 1.408 121.534 120.300 -0.291 0.000 2.163 780 Y HA -0.185 4.360 4.550 -0.009 0.000 0.288 780 Y C 2.256 177.761 175.900 -0.659 0.000 1.136 780 Y CA 0.978 58.578 58.100 -0.834 0.000 1.147 780 Y CB -0.469 37.556 38.460 -0.726 0.000 0.987 780 Y HN -0.203 nan 8.280 nan 0.000 0.509 781 V N 0.473 120.034 119.914 -0.588 0.000 2.343 781 V HA -0.298 3.817 4.120 -0.009 0.000 0.247 781 V C 2.349 178.205 176.094 -0.398 0.000 1.051 781 V CA 2.305 64.267 62.300 -0.565 0.000 1.036 781 V CB -0.656 30.870 31.823 -0.494 0.000 0.654 781 V HN 0.202 nan 8.190 nan 0.000 0.451 782 K N -0.507 119.728 120.400 -0.274 0.000 2.057 782 K HA -0.177 4.138 4.320 -0.009 0.000 0.207 782 K C 2.242 178.741 176.600 -0.169 0.000 1.049 782 K CA 1.821 58.012 56.287 -0.160 0.000 0.931 782 K CB -0.985 31.471 32.500 -0.072 0.000 0.714 782 K HN 0.544 nan 8.250 nan 0.000 0.440 783 C N 0.728 119.898 119.300 -0.216 0.000 2.425 783 C HA -0.072 4.383 4.460 -0.009 0.000 0.277 783 C C 2.434 177.226 174.990 -0.330 0.000 1.280 783 C CA 0.690 59.604 59.018 -0.172 0.000 1.744 783 C CB -0.691 26.968 27.740 -0.135 0.000 1.989 783 C HN 0.469 nan 8.230 nan 0.000 0.491 784 Q N 0.454 119.922 119.800 -0.552 0.000 2.170 784 Q HA -0.156 4.178 4.340 -0.009 0.000 0.203 784 Q C 2.012 177.803 176.000 -0.348 0.000 0.976 784 Q CA 1.550 56.990 55.803 -0.605 0.000 0.858 784 Q CB -0.361 27.777 28.738 -1.000 0.000 0.907 784 Q HN 0.765 nan 8.270 nan 0.000 0.433 785 E N 0.174 120.227 120.200 -0.245 0.000 2.106 785 E HA -0.127 4.218 4.350 -0.009 0.000 0.192 785 E C 2.050 178.593 176.600 -0.094 0.000 0.984 785 E CA 0.499 56.818 56.400 -0.134 0.000 0.806 785 E CB -0.035 29.608 29.700 -0.094 0.000 0.750 785 E HN 0.267 nan 8.360 nan 0.000 0.458 786 R N 0.545 120.992 120.500 -0.089 0.000 2.115 786 R HA -0.072 4.263 4.340 -0.009 0.000 0.230 786 R C 2.413 178.682 176.300 -0.052 0.000 1.111 786 R CA 0.794 56.902 56.100 0.013 0.000 0.976 786 R CB -0.264 30.117 30.300 0.135 0.000 0.870 786 R HN 0.053 nan 8.270 nan 0.000 0.445 787 V N 0.585 120.277 119.914 -0.369 0.000 2.295 787 V HA -0.235 3.879 4.120 -0.009 0.000 0.246 787 V C 2.160 178.227 176.094 -0.045 0.000 1.049 787 V CA 1.963 63.951 62.300 -0.520 0.000 1.024 787 V CB -0.345 31.076 31.823 -0.670 0.000 0.648 787 V HN 0.282 nan 8.190 nan 0.000 0.447 788 S N 0.160 115.808 115.700 -0.087 0.000 2.382 788 S HA -0.169 4.295 4.470 -0.009 0.000 0.228 788 S C 2.192 176.845 174.600 0.088 0.000 1.027 788 S CA 1.359 59.548 58.200 -0.018 0.000 0.991 788 S CB -0.475 62.684 63.200 -0.069 0.000 0.823 788 S HN 0.652 nan 8.310 nan 0.000 0.469 789 A N 1.304 124.175 122.820 0.085 0.000 1.902 789 A HA 0.014 4.329 4.320 -0.009 0.000 0.217 789 A C 2.095 179.787 177.584 0.181 0.000 1.181 789 A CA 1.052 53.160 52.037 0.120 0.000 0.623 789 A CB -0.654 18.406 19.000 0.100 0.000 0.818 789 A HN 0.465 nan 8.150 nan 0.000 0.443 790 L N -2.122 119.265 121.223 0.273 0.000 2.109 790 L HA -0.133 4.201 4.340 -0.009 0.000 0.207 790 L C 2.463 179.603 176.870 0.450 0.000 1.086 790 L CA 1.613 56.690 54.840 0.395 0.000 0.760 790 L CB -0.388 42.012 42.059 0.569 0.000 0.910 790 L HN 0.576 nan 8.230 nan 0.000 0.437 791 Y N 1.091 121.529 120.300 0.231 0.000 2.315 791 Y HA -0.271 4.274 4.550 -0.008 0.000 0.288 791 Y C 2.330 178.163 175.900 -0.112 0.000 1.154 791 Y CA 1.601 59.575 58.100 -0.210 0.000 1.229 791 Y CB -0.082 38.058 38.460 -0.533 0.000 0.980 791 Y HN 0.084 nan 8.280 nan 0.000 0.540 792 K N -0.221 120.215 120.400 0.060 0.000 2.442 792 K HA -0.109 4.206 4.320 -0.009 0.000 0.198 792 K C 0.412 176.995 176.600 -0.029 0.000 1.042 792 K CA 0.652 56.955 56.287 0.028 0.000 0.958 792 K CB -0.059 32.504 32.500 0.106 0.000 0.766 792 K HN 0.058 nan 8.250 nan 0.000 0.474 793 N N 0.602 119.301 118.700 -0.002 0.000 2.976 793 N HA 0.133 4.868 4.740 -0.009 0.000 0.255 793 N C -2.448 173.064 175.510 0.003 0.000 1.312 793 N CA -2.110 50.946 53.050 0.011 0.000 0.897 793 N CB 1.112 39.638 38.487 0.065 0.000 1.184 793 N HN -0.196 nan 8.380 nan 0.000 0.497 794 P HA -0.240 nan 4.420 nan 0.000 0.219 794 P C 1.421 178.731 177.300 0.017 0.000 1.161 794 P CA 1.424 64.453 63.100 -0.118 0.000 0.909 794 P CB 0.309 31.916 31.700 -0.157 0.000 0.793 795 R N -0.129 120.380 120.500 0.015 0.000 2.083 795 R HA -0.180 4.155 4.340 -0.009 0.000 0.237 795 R C 1.986 178.327 176.300 0.069 0.000 1.137 795 R CA 1.593 57.714 56.100 0.035 0.000 0.951 795 R CB -0.455 29.857 30.300 0.021 0.000 0.851 795 R HN 0.110 nan 8.270 nan 0.000 0.434 796 E N -0.096 120.155 120.200 0.085 0.000 2.152 796 E HA -0.209 4.136 4.350 -0.009 0.000 0.192 796 E C 1.602 178.280 176.600 0.131 0.000 0.983 796 E CA 0.636 57.091 56.400 0.091 0.000 0.818 796 E CB -0.424 29.328 29.700 0.087 0.000 0.758 796 E HN 0.535 nan 8.360 nan 0.000 0.467 797 W N 2.201 123.498 121.300 -0.004 0.000 2.355 797 W HA -0.165 4.489 4.660 -0.010 0.000 0.309 797 W C 1.567 178.092 176.519 0.010 0.000 1.206 797 W CA 2.006 59.364 57.345 0.021 0.000 1.284 797 W CB -0.430 29.015 29.460 -0.025 0.000 1.145 797 W HN 0.014 nan 8.180 nan 0.000 0.502 798 T N 1.333 116.035 114.554 0.245 0.000 2.788 798 T HA -0.170 4.174 4.350 -0.009 0.000 0.268 798 T C 1.848 176.560 174.700 0.020 0.000 1.044 798 T CA 1.721 63.894 62.100 0.120 0.000 1.139 798 T CB -0.280 68.638 68.868 0.083 0.000 0.867 798 T HN 0.180 nan 8.240 nan 0.000 0.454 799 R N 0.443 120.959 120.500 0.028 0.000 2.092 799 R HA 0.109 4.444 4.340 -0.009 0.000 0.231 799 R C 2.491 178.782 176.300 -0.016 0.000 1.119 799 R CA 1.137 57.250 56.100 0.023 0.000 0.970 799 R CB -0.333 29.987 30.300 0.033 0.000 0.864 799 R HN 0.364 nan 8.270 nan 0.000 0.440 800 M N 0.506 120.061 119.600 -0.074 0.000 2.175 800 M HA -0.127 4.347 4.480 -0.009 0.000 0.264 800 M C 1.882 178.093 176.300 -0.148 0.000 1.063 800 M CA 1.314 56.533 55.300 -0.135 0.000 1.119 800 M CB 0.209 32.670 32.600 -0.233 0.000 1.377 800 M HN -0.019 nan 8.290 nan 0.000 0.415 801 V N 0.864 120.673 119.914 -0.174 0.000 2.295 801 V HA -0.304 3.810 4.120 -0.009 0.000 0.246 801 V C 2.214 178.291 176.094 -0.028 0.000 1.049 801 V CA 1.949 64.176 62.300 -0.121 0.000 1.024 801 V CB -0.586 31.191 31.823 -0.077 0.000 0.648 801 V HN 0.507 nan 8.190 nan 0.000 0.447 802 I N -0.557 120.016 120.570 0.004 0.000 2.264 802 I HA -0.274 3.891 4.170 -0.009 0.000 0.248 802 I C 2.705 178.872 176.117 0.083 0.000 1.111 802 I CA 1.586 62.935 61.300 0.081 0.000 1.382 802 I CB -0.444 37.649 38.000 0.154 0.000 1.060 802 I HN 0.219 nan 8.210 nan 0.000 0.418 803 R N 0.440 120.966 120.500 0.044 0.000 2.148 803 R HA -0.108 4.227 4.340 -0.009 0.000 0.227 803 R C 2.009 178.342 176.300 0.054 0.000 1.103 803 R CA 1.083 57.208 56.100 0.041 0.000 0.983 803 R CB -0.330 29.978 30.300 0.013 0.000 0.874 803 R HN 0.538 nan 8.270 nan 0.000 0.451 804 N N 0.507 119.234 118.700 0.046 0.000 2.148 804 N HA -0.058 4.677 4.740 -0.009 0.000 0.186 804 N C 1.944 177.515 175.510 0.102 0.000 1.031 804 N CA 0.976 54.076 53.050 0.084 0.000 0.848 804 N CB 0.018 38.532 38.487 0.045 0.000 1.005 804 N HN 0.113 nan 8.380 nan 0.000 0.427 805 I N 1.666 122.284 120.570 0.081 0.000 2.208 805 I HA -0.241 3.923 4.170 -0.009 0.000 0.245 805 I C 2.452 178.623 176.117 0.090 0.000 1.097 805 I CA 0.896 62.249 61.300 0.088 0.000 1.363 805 I CB -0.317 37.728 38.000 0.076 0.000 1.051 805 I HN 0.092 nan 8.210 nan 0.000 0.413 806 A N 0.322 123.195 122.820 0.088 0.000 2.019 806 A HA -0.169 4.145 4.320 -0.009 0.000 0.219 806 A C 2.090 179.713 177.584 0.065 0.000 1.164 806 A CA 2.074 54.154 52.037 0.071 0.000 0.644 806 A CB -0.857 18.188 19.000 0.075 0.000 0.805 806 A HN 0.539 nan 8.150 nan 0.000 0.449 807 T N -2.929 111.677 114.554 0.086 0.000 3.176 807 T HA 0.193 4.538 4.350 -0.009 0.000 0.263 807 T C 1.093 175.882 174.700 0.149 0.000 1.021 807 T CA 0.625 62.778 62.100 0.088 0.000 0.905 807 T CB -0.188 68.728 68.868 0.081 0.000 1.057 807 T HN 0.477 nan 8.240 nan 0.000 0.558 808 S N -0.030 115.778 115.700 0.180 0.000 2.593 808 S HA 0.266 4.731 4.470 -0.009 0.000 0.217 808 S C 2.188 176.916 174.600 0.214 0.000 0.966 808 S CA 0.221 58.607 58.200 0.310 0.000 0.914 808 S CB -0.558 62.800 63.200 0.263 0.000 0.776 808 S HN 0.518 nan 8.310 nan 0.000 0.523 809 G N 2.756 111.603 108.800 0.079 0.000 2.469 809 G HA2 -0.294 3.660 3.960 -0.009 0.000 0.220 809 G HA3 -0.294 3.660 3.960 -0.009 0.000 0.220 809 G C 1.323 176.169 174.900 -0.090 0.000 1.136 809 G CA 1.044 46.156 45.100 0.020 0.000 0.759 809 G HN 0.608 nan 8.290 nan 0.000 0.562 810 K N -0.115 120.110 120.400 -0.291 0.000 2.281 810 K HA -0.035 4.280 4.320 -0.009 0.000 0.203 810 K C 1.236 177.486 176.600 -0.584 0.000 1.046 810 K CA 0.710 56.688 56.287 -0.514 0.000 0.938 810 K CB -0.272 31.755 32.500 -0.789 0.000 0.737 810 K HN 0.412 nan 8.250 nan 0.000 0.458 811 F N 0.947 120.924 119.950 0.045 0.000 2.693 811 F HA 0.117 4.638 4.527 -0.010 0.000 0.303 811 F C 0.807 176.650 175.800 0.072 0.000 1.143 811 F CA -0.534 57.499 58.000 0.056 0.000 1.389 811 F CB 0.354 39.384 39.000 0.050 0.000 1.060 811 F HN -0.115 nan 8.300 nan 0.000 0.535 812 S N 0.279 116.053 115.700 0.124 0.000 2.545 812 S HA 0.087 4.552 4.470 -0.009 0.000 0.275 812 S C 1.424 176.100 174.600 0.126 0.000 1.299 812 S CA -0.259 58.014 58.200 0.123 0.000 1.048 812 S CB 0.856 64.098 63.200 0.071 0.000 0.938 812 S HN 0.340 nan 8.310 nan 0.000 0.496 813 S N 3.263 119.063 115.700 0.168 0.000 2.507 813 S HA -0.082 4.382 4.470 -0.009 0.000 0.235 813 S C 0.921 175.569 174.600 0.080 0.000 0.988 813 S CA 0.743 59.061 58.200 0.197 0.000 0.944 813 S CB -0.335 63.054 63.200 0.315 0.000 0.762 813 S HN 0.787 nan 8.310 nan 0.000 0.526 814 D N 1.802 122.235 120.400 0.055 0.000 2.144 814 D HA -0.058 4.576 4.640 -0.009 0.000 0.200 814 D C 2.116 178.416 176.300 -0.000 0.000 0.978 814 D CA 0.706 54.716 54.000 0.016 0.000 0.833 814 D CB -0.303 40.505 40.800 0.012 0.000 0.961 814 D HN 0.297 nan 8.370 nan 0.000 0.470 815 R N 0.861 121.363 120.500 0.004 0.000 2.066 815 R HA -0.074 4.261 4.340 -0.009 0.000 0.232 815 R C 1.838 178.127 176.300 -0.019 0.000 1.131 815 R CA 1.299 57.388 56.100 -0.019 0.000 0.955 815 R CB -0.777 29.499 30.300 -0.041 0.000 0.851 815 R HN 0.094 nan 8.270 nan 0.000 0.432 816 T N 2.305 116.869 114.554 0.017 0.000 2.652 816 T HA -0.122 4.223 4.350 -0.009 0.000 0.267 816 T C 1.923 176.622 174.700 -0.001 0.000 1.039 816 T CA 1.444 63.572 62.100 0.047 0.000 1.153 816 T CB -0.133 68.834 68.868 0.165 0.000 0.863 816 T HN 0.108 nan 8.240 nan 0.000 0.428 817 I N 1.624 122.114 120.570 -0.135 0.000 2.286 817 I HA -0.097 4.067 4.170 -0.009 0.000 0.248 817 I C 2.890 178.963 176.117 -0.074 0.000 1.115 817 I CA 0.945 62.132 61.300 -0.189 0.000 1.392 817 I CB -1.591 36.297 38.000 -0.186 0.000 1.065 817 I HN 0.196 nan 8.210 nan 0.000 0.418 818 A N 0.203 122.996 122.820 -0.045 0.000 1.933 818 A HA -0.226 4.089 4.320 -0.009 0.000 0.218 818 A C 2.248 179.790 177.584 -0.070 0.000 1.175 818 A CA 1.345 53.364 52.037 -0.031 0.000 0.628 818 A CB -0.504 18.482 19.000 -0.023 0.000 0.814 818 A HN 0.507 nan 8.150 nan 0.000 0.444 819 Q N -1.879 117.861 119.800 -0.100 0.000 2.083 819 Q HA -0.152 4.183 4.340 -0.009 0.000 0.198 819 Q C 1.909 177.744 176.000 -0.275 0.000 0.969 819 Q CA 1.561 57.266 55.803 -0.164 0.000 0.838 819 Q CB -0.300 28.330 28.738 -0.179 0.000 0.900 819 Q HN 0.816 nan 8.270 nan 0.000 0.436 820 Y N 0.633 120.643 120.300 -0.482 0.000 2.165 820 Y HA -0.277 4.267 4.550 -0.009 0.000 0.286 820 Y C 2.460 177.788 175.900 -0.953 0.000 1.155 820 Y CA 1.267 58.827 58.100 -0.901 0.000 1.164 820 Y CB -0.360 37.255 38.460 -1.409 0.000 0.978 820 Y HN 0.159 nan 8.280 nan 0.000 0.513 821 A N 0.298 122.902 122.820 -0.359 0.000 1.877 821 A HA -0.209 4.105 4.320 -0.009 0.000 0.216 821 A C 2.247 179.846 177.584 0.025 0.000 1.186 821 A CA 1.952 54.015 52.037 0.043 0.000 0.620 821 A CB -0.512 18.587 19.000 0.164 0.000 0.822 821 A HN 0.415 nan 8.150 nan 0.000 0.443 822 R N -0.545 119.932 120.500 -0.040 0.000 2.075 822 R HA -0.026 4.309 4.340 -0.009 0.000 0.226 822 R C 1.822 178.098 176.300 -0.040 0.000 1.114 822 R CA 1.408 57.495 56.100 -0.021 0.000 0.972 822 R CB -0.215 30.068 30.300 -0.029 0.000 0.869 822 R HN 0.664 nan 8.270 nan 0.000 0.437 823 E N -0.253 119.883 120.200 -0.107 0.000 2.400 823 E HA 0.070 4.415 4.350 -0.009 0.000 0.195 823 E C 1.489 178.035 176.600 -0.090 0.000 1.012 823 E CA 0.541 56.880 56.400 -0.101 0.000 0.875 823 E CB 0.470 30.082 29.700 -0.147 0.000 0.859 823 E HN 0.325 nan 8.360 nan 0.000 0.498 824 I N -1.147 119.335 120.570 -0.147 0.000 3.739 824 I HA 0.018 4.182 4.170 -0.009 0.000 0.272 824 I C 1.346 177.586 176.117 0.205 0.000 1.167 824 I CA -0.092 61.176 61.300 -0.053 0.000 1.386 824 I CB 0.222 38.046 38.000 -0.293 0.000 1.490 824 I HN 0.104 nan 8.210 nan 0.000 0.452 825 W N 1.633 123.025 121.300 0.155 0.000 2.658 825 W HA 0.297 4.952 4.660 -0.009 0.000 0.263 825 W C 1.493 178.050 176.519 0.064 0.000 1.274 825 W CA 0.883 58.301 57.345 0.123 0.000 1.343 825 W CB -1.113 28.407 29.460 0.100 0.000 1.106 825 W HN 0.336 nan 8.180 nan 0.000 0.615 826 G N 1.108 110.047 108.800 0.230 0.000 2.256 826 G HA2 -0.099 3.855 3.960 -0.009 0.000 0.272 826 G HA3 -0.099 3.855 3.960 -0.009 0.000 0.272 826 G C -0.334 174.638 174.900 0.120 0.000 1.076 826 G CA 0.221 45.399 45.100 0.131 0.000 0.882 826 G HN 0.445 nan 8.290 nan 0.000 0.497 827 V N -4.284 115.719 119.914 0.149 0.000 2.925 827 V HA 0.901 5.015 4.120 -0.009 0.000 0.311 827 V C -0.373 175.779 176.094 0.096 0.000 1.104 827 V CA -1.689 60.679 62.300 0.114 0.000 0.954 827 V CB 2.336 34.236 31.823 0.128 0.000 1.022 827 V HN 0.132 nan 8.190 nan 0.000 0.427 828 E N 4.103 124.343 120.200 0.065 0.000 2.174 828 E HA 0.497 4.842 4.350 -0.009 0.000 0.282 828 E C -2.464 174.169 176.600 0.056 0.000 0.992 828 E CA -1.736 54.696 56.400 0.053 0.000 0.803 828 E CB 1.828 31.552 29.700 0.039 0.000 1.090 828 E HN 0.768 nan 8.360 nan 0.000 0.396 829 P HA 0.093 nan 4.420 nan 0.000 0.272 829 P C -0.492 176.835 177.300 0.044 0.000 1.223 829 P CA -0.313 62.818 63.100 0.052 0.000 0.784 829 P CB 1.047 32.773 31.700 0.043 0.000 0.923 830 S N 0.952 116.680 115.700 0.046 0.000 2.547 830 S HA 0.358 4.823 4.470 -0.009 0.000 0.281 830 S C 0.304 174.928 174.600 0.039 0.000 1.118 830 S CA -0.753 57.473 58.200 0.044 0.000 0.947 830 S CB 0.974 64.207 63.200 0.056 0.000 1.053 830 S HN 0.288 nan 8.310 nan 0.000 0.482 831 R N 2.499 123.018 120.500 0.032 0.000 2.552 831 R HA 0.218 4.552 4.340 -0.009 0.000 0.314 831 R C -0.273 176.039 176.300 0.020 0.000 1.041 831 R CA -0.032 56.085 56.100 0.029 0.000 1.076 831 R CB 0.289 30.606 30.300 0.028 0.000 1.290 831 R HN 0.666 nan 8.270 nan 0.000 0.563 832 Q N 0.997 120.809 119.800 0.020 0.000 2.286 832 Q HA 0.184 4.518 4.340 -0.009 0.000 0.257 832 Q C -0.287 175.706 176.000 -0.010 0.000 0.941 832 Q CA -0.151 55.657 55.803 0.008 0.000 0.912 832 Q CB 1.227 29.975 28.738 0.016 0.000 1.192 832 Q HN -0.182 nan 8.270 nan 0.000 0.410 833 R N 1.484 121.970 120.500 -0.024 0.000 2.641 833 R HA 0.294 4.628 4.340 -0.009 0.000 0.269 833 R C -0.481 175.779 176.300 -0.066 0.000 1.074 833 R CA 0.083 56.156 56.100 -0.045 0.000 1.133 833 R CB 0.432 30.703 30.300 -0.047 0.000 1.029 833 R HN 0.493 nan 8.270 nan 0.000 0.488 834 L N 4.232 125.400 121.223 -0.092 0.000 2.334 834 L HA 0.483 4.818 4.340 -0.009 0.000 0.275 834 L C -1.864 174.948 176.870 -0.097 0.000 1.036 834 L CA -2.272 52.486 54.840 -0.137 0.000 0.807 834 L CB 1.870 43.813 42.059 -0.195 0.000 1.231 834 L HN 0.467 nan 8.230 nan 0.000 0.438 835 P HA 0.085 nan 4.420 nan 0.000 0.266 835 P C -0.708 176.564 177.300 -0.048 0.000 1.215 835 P CA -0.087 62.979 63.100 -0.056 0.000 0.763 835 P CB 1.056 32.730 31.700 -0.043 0.000 0.806 836 A N 0.000 122.799 122.820 -0.035 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.009 0.000 0.244 836 A CA 0.000 52.025 52.037 -0.021 0.000 0.836 836 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486