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 2f3q_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 -0.029 0.000 1.003 12 Q CA 0.000 55.773 55.803 -0.049 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.058 0.000 1.108 13 I N -0.222 120.336 120.570 -0.020 0.000 2.525 13 I HA 0.571 4.736 4.170 -0.008 0.000 0.301 13 I C 1.013 177.130 176.117 -0.000 0.000 0.992 13 I CA -0.219 61.077 61.300 -0.006 0.000 1.162 13 I CB 1.943 39.944 38.000 0.001 0.000 1.332 13 I HN 0.290 nan 8.210 nan 0.000 0.458 14 S N 3.794 119.499 115.700 0.008 0.000 2.377 14 S HA -0.206 4.259 4.470 -0.008 0.000 0.224 14 S C 1.821 176.431 174.600 0.017 0.000 1.042 14 S CA 2.553 60.761 58.200 0.013 0.000 1.086 14 S CB -0.681 62.532 63.200 0.023 0.000 0.995 14 S HN 0.861 nan 8.310 nan 0.000 0.428 15 V N 0.259 120.191 119.914 0.030 0.000 2.944 15 V HA -0.017 4.098 4.120 -0.008 0.000 0.265 15 V C 1.922 178.031 176.094 0.025 0.000 1.125 15 V CA 1.813 64.134 62.300 0.035 0.000 1.145 15 V CB -1.145 30.707 31.823 0.049 0.000 0.725 15 V HN 0.411 nan 8.190 nan 0.000 0.510 16 R N 1.141 121.646 120.500 0.010 0.000 2.320 16 R HA 0.429 4.764 4.340 -0.008 0.000 0.211 16 R C 1.143 177.434 176.300 -0.015 0.000 0.931 16 R CA 0.540 56.639 56.100 -0.002 0.000 1.071 16 R CB -0.001 30.294 30.300 -0.009 0.000 1.025 16 R HN 0.789 nan 8.270 nan 0.000 0.495 17 G N 0.690 109.481 108.800 -0.015 0.000 2.757 17 G HA2 -0.219 3.736 3.960 -0.008 0.000 0.638 17 G HA3 -0.219 3.736 3.960 -0.008 0.000 0.638 17 G C -0.799 174.086 174.900 -0.026 0.000 1.344 17 G CA -1.057 44.026 45.100 -0.028 0.000 0.855 17 G HN -0.018 nan 8.290 nan 0.000 0.537 18 L N 0.140 121.346 121.223 -0.029 0.000 2.379 18 L HA 0.701 5.036 4.340 -0.008 0.000 0.269 18 L C 1.207 178.063 176.870 -0.024 0.000 1.084 18 L CA 0.294 55.120 54.840 -0.023 0.000 0.802 18 L CB 1.102 43.148 42.059 -0.021 0.000 1.175 18 L HN 1.589 nan 8.230 nan 0.000 0.448 19 A N 1.652 124.460 122.820 -0.018 0.000 3.150 19 A HA 0.569 4.884 4.320 -0.008 0.000 0.328 19 A C 0.691 178.270 177.584 -0.007 0.000 1.104 19 A CA -0.339 51.689 52.037 -0.015 0.000 0.937 19 A CB -0.324 18.667 19.000 -0.015 0.000 1.073 19 A HN 0.801 nan 8.150 nan 0.000 0.497 20 G N -0.466 108.330 108.800 -0.007 0.000 2.559 20 G HA2 0.290 4.245 3.960 -0.008 0.000 0.235 20 G HA3 0.290 4.245 3.960 -0.008 0.000 0.235 20 G C 1.128 176.031 174.900 0.006 0.000 1.266 20 G CA 0.323 45.422 45.100 -0.000 0.000 0.847 20 G HN 0.806 nan 8.290 nan 0.000 0.583 21 V N 1.376 121.295 119.914 0.008 0.000 2.295 21 V HA -0.141 3.974 4.120 -0.008 0.000 0.246 21 V C 2.656 178.759 176.094 0.016 0.000 1.049 21 V CA 2.871 65.178 62.300 0.012 0.000 1.024 21 V CB -0.465 31.365 31.823 0.010 0.000 0.648 21 V HN 0.860 nan 8.190 nan 0.000 0.447 22 E N 0.399 120.609 120.200 0.017 0.000 2.058 22 E HA -0.216 4.129 4.350 -0.008 0.000 0.194 22 E C 1.989 178.609 176.600 0.034 0.000 0.997 22 E CA 2.077 58.491 56.400 0.023 0.000 0.801 22 E CB -0.326 29.387 29.700 0.022 0.000 0.746 22 E HN 0.706 nan 8.360 nan 0.000 0.450 23 N N -0.841 117.877 118.700 0.031 0.000 2.120 23 N HA -0.124 4.611 4.740 -0.008 0.000 0.188 23 N C 1.636 177.170 175.510 0.041 0.000 1.024 23 N CA 1.092 54.166 53.050 0.040 0.000 0.852 23 N CB -0.141 38.356 38.487 0.016 0.000 1.003 23 N HN -0.017 nan 8.380 nan 0.000 0.424 24 V N 0.259 120.188 119.914 0.026 0.000 2.343 24 V HA -0.223 3.892 4.120 -0.008 0.000 0.247 24 V C 1.999 178.113 176.094 0.034 0.000 1.051 24 V CA 1.833 64.147 62.300 0.024 0.000 1.036 24 V CB -0.879 30.954 31.823 0.017 0.000 0.654 24 V HN 0.408 nan 8.190 nan 0.000 0.451 25 T N -0.618 113.957 114.554 0.034 0.000 2.777 25 T HA -0.205 4.140 4.350 -0.008 0.000 0.266 25 T C 1.925 176.659 174.700 0.056 0.000 1.040 25 T CA 1.719 63.841 62.100 0.037 0.000 1.141 25 T CB -0.178 68.707 68.868 0.029 0.000 0.868 25 T HN 0.469 nan 8.240 nan 0.000 0.444 26 E N 1.093 121.333 120.200 0.068 0.000 2.072 26 E HA -0.020 4.325 4.350 -0.008 0.000 0.191 26 E C 2.048 178.726 176.600 0.130 0.000 0.985 26 E CA 0.947 57.402 56.400 0.091 0.000 0.801 26 E CB -0.547 29.214 29.700 0.102 0.000 0.750 26 E HN 0.437 nan 8.360 nan 0.000 0.452 27 L N 0.185 121.491 121.223 0.139 0.000 2.017 27 L HA -0.204 4.131 4.340 -0.008 0.000 0.208 27 L C 2.472 179.450 176.870 0.180 0.000 1.073 27 L CA 1.601 56.546 54.840 0.175 0.000 0.745 27 L CB -0.383 41.745 42.059 0.115 0.000 0.894 27 L HN 0.089 nan 8.230 nan 0.000 0.432 28 K N 0.504 120.970 120.400 0.110 0.000 2.063 28 K HA -0.208 4.107 4.320 -0.008 0.000 0.208 28 K C 2.118 178.822 176.600 0.173 0.000 1.048 28 K CA 1.809 58.155 56.287 0.099 0.000 0.928 28 K CB -0.125 32.393 32.500 0.030 0.000 0.713 28 K HN 0.410 nan 8.250 nan 0.000 0.442 29 K N 0.342 120.821 120.400 0.132 0.000 2.097 29 K HA -0.058 4.257 4.320 -0.008 0.000 0.205 29 K C 1.601 178.286 176.600 0.142 0.000 1.050 29 K CA 1.312 57.671 56.287 0.120 0.000 0.938 29 K CB -0.173 32.371 32.500 0.075 0.000 0.718 29 K HN 0.022 nan 8.250 nan 0.000 0.442 30 N N 0.469 119.266 118.700 0.162 0.000 2.331 30 N HA -0.099 4.636 4.740 -0.008 0.000 0.180 30 N C 1.563 177.219 175.510 0.243 0.000 1.019 30 N CA 0.847 53.985 53.050 0.147 0.000 0.881 30 N CB -0.216 38.371 38.487 0.168 0.000 0.972 30 N HN 0.208 nan 8.380 nan 0.000 0.435 31 F N 2.538 122.584 119.950 0.160 0.000 2.113 31 F HA -0.062 4.460 4.527 -0.008 0.000 0.297 31 F C 1.988 177.891 175.800 0.172 0.000 1.103 31 F CA 1.234 59.345 58.000 0.185 0.000 1.248 31 F CB -0.168 38.913 39.000 0.136 0.000 0.999 31 F HN -0.046 nan 8.300 nan 0.000 0.475 32 N N 0.518 119.428 118.700 0.350 0.000 2.244 32 N HA -0.181 4.554 4.740 -0.008 0.000 0.183 32 N C 2.026 177.603 175.510 0.112 0.000 1.016 32 N CA 1.118 54.296 53.050 0.213 0.000 0.866 32 N CB -0.521 38.080 38.487 0.190 0.000 0.980 32 N HN 0.382 nan 8.380 nan 0.000 0.430 33 R N 0.350 120.918 120.500 0.115 0.000 2.073 33 R HA -0.097 4.237 4.340 -0.008 0.000 0.234 33 R C 1.819 178.196 176.300 0.127 0.000 1.134 33 R CA 1.485 57.676 56.100 0.152 0.000 0.952 33 R CB -0.236 30.087 30.300 0.039 0.000 0.850 33 R HN 0.363 nan 8.270 nan 0.000 0.433 34 H N -0.418 118.689 119.070 0.061 0.000 2.389 34 H HA -0.119 4.432 4.556 -0.009 0.000 0.299 34 H C 1.873 177.133 175.328 -0.114 0.000 1.081 34 H CA 1.400 57.422 56.048 -0.043 0.000 1.345 34 H CB 0.093 29.795 29.762 -0.101 0.000 1.393 34 H HN 0.138 nan 8.280 nan 0.000 0.520 35 L N -0.074 121.121 121.223 -0.046 0.000 2.083 35 L HA -0.184 4.151 4.340 -0.008 0.000 0.209 35 L C 2.181 179.017 176.870 -0.056 0.000 1.083 35 L CA 1.835 56.614 54.840 -0.103 0.000 0.752 35 L CB -0.417 41.577 42.059 -0.109 0.000 0.899 35 L HN 0.296 nan 8.230 nan 0.000 0.433 36 H N -1.665 117.316 119.070 -0.147 0.000 2.276 36 H HA -0.060 4.491 4.556 -0.009 0.000 0.307 36 H C 1.799 176.919 175.328 -0.347 0.000 1.061 36 H CA 2.288 58.157 56.048 -0.297 0.000 1.336 36 H CB -0.294 29.192 29.762 -0.461 0.000 1.396 36 H HN 0.284 nan 8.280 nan 0.000 0.503 37 F N -0.399 119.536 119.950 -0.026 0.000 2.293 37 F HA -0.025 4.496 4.527 -0.009 0.000 0.297 37 F C 2.585 178.313 175.800 -0.121 0.000 1.089 37 F CA 1.379 59.320 58.000 -0.098 0.000 1.377 37 F CB -0.402 38.578 39.000 -0.034 0.000 1.051 37 F HN 0.185 nan 8.300 nan 0.000 0.511 38 T N -0.106 114.485 114.554 0.061 0.000 2.901 38 T HA 0.067 4.412 4.350 -0.008 0.000 0.252 38 T C 1.959 176.569 174.700 -0.150 0.000 1.035 38 T CA 0.839 62.901 62.100 -0.062 0.000 1.142 38 T CB -0.298 68.500 68.868 -0.117 0.000 0.869 38 T HN 0.107 nan 8.240 nan 0.000 0.442 39 L N 1.221 122.353 121.223 -0.152 0.000 2.529 39 L HA 0.202 4.536 4.340 -0.008 0.000 0.223 39 L C 0.283 177.052 176.870 -0.168 0.000 1.113 39 L CA -0.100 54.637 54.840 -0.172 0.000 0.861 39 L CB -0.061 41.901 42.059 -0.162 0.000 1.012 39 L HN -0.020 nan 8.230 nan 0.000 0.461 40 V N 0.832 120.631 119.914 -0.191 0.000 6.016 40 V HA -0.297 3.818 4.120 -0.008 0.000 0.265 40 V C -0.046 175.928 176.094 -0.200 0.000 0.621 40 V CA 1.144 63.301 62.300 -0.238 0.000 0.592 40 V CB -2.256 29.456 31.823 -0.185 0.000 0.298 40 V HN 0.499 nan 8.190 nan 0.000 0.615 41 K N 0.526 120.814 120.400 -0.187 0.000 2.548 41 K HA 0.685 5.000 4.320 -0.008 0.000 0.282 41 K C -0.756 175.804 176.600 -0.067 0.000 1.006 41 K CA -0.521 55.691 56.287 -0.126 0.000 0.892 41 K CB 2.746 35.168 32.500 -0.130 0.000 1.499 41 K HN 0.502 nan 8.250 nan 0.000 0.433 42 D N -0.969 119.412 120.400 -0.030 0.000 2.423 42 D HA 0.318 4.953 4.640 -0.008 0.000 0.235 42 D C 0.576 176.905 176.300 0.047 0.000 1.011 42 D CA -0.788 53.229 54.000 0.029 0.000 0.963 42 D CB 1.026 41.844 40.800 0.029 0.000 1.349 42 D HN 0.120 nan 8.370 nan 0.000 0.508 43 R N 0.371 120.935 120.500 0.105 0.000 2.303 43 R HA -0.029 4.306 4.340 -0.008 0.000 0.225 43 R C 0.603 176.979 176.300 0.126 0.000 1.114 43 R CA 0.504 56.709 56.100 0.174 0.000 1.007 43 R CB -0.763 29.644 30.300 0.177 0.000 0.861 43 R HN 0.530 nan 8.270 nan 0.000 0.471 44 N N 0.077 118.816 118.700 0.066 0.000 2.415 44 N HA -0.062 4.673 4.740 -0.008 0.000 0.176 44 N C 1.495 177.020 175.510 0.025 0.000 1.042 44 N CA 1.159 54.236 53.050 0.046 0.000 0.902 44 N CB 0.480 38.984 38.487 0.028 0.000 0.986 44 N HN 0.202 nan 8.380 nan 0.000 0.447 45 V N -2.858 117.056 119.914 -0.001 0.000 3.477 45 V HA 0.539 4.654 4.120 -0.008 0.000 0.297 45 V C 0.710 176.760 176.094 -0.073 0.000 1.433 45 V CA -0.611 61.673 62.300 -0.027 0.000 1.052 45 V CB -0.201 31.601 31.823 -0.034 0.000 0.895 45 V HN 0.019 nan 8.190 nan 0.000 0.438 46 A N 2.093 124.845 122.820 -0.114 0.000 2.440 46 A HA 0.612 4.927 4.320 -0.008 0.000 0.251 46 A C 0.720 178.112 177.584 -0.320 0.000 1.089 46 A CA 0.754 52.605 52.037 -0.310 0.000 0.779 46 A CB -0.001 18.664 19.000 -0.559 0.000 1.022 46 A HN 0.835 nan 8.150 nan 0.000 0.492 47 T N 0.041 114.411 114.554 -0.306 0.000 2.948 47 T HA 0.579 4.924 4.350 -0.008 0.000 0.285 47 T C -2.146 172.478 174.700 -0.127 0.000 1.019 47 T CA -1.784 60.231 62.100 -0.141 0.000 1.013 47 T CB 1.280 70.108 68.868 -0.067 0.000 1.117 47 T HN 0.236 nan 8.240 nan 0.000 0.533 48 P HA -0.094 nan 4.420 nan 0.000 0.216 48 P C 1.615 179.034 177.300 0.199 0.000 1.150 48 P CA 0.985 64.223 63.100 0.231 0.000 0.843 48 P CB 0.049 31.848 31.700 0.166 0.000 0.787 49 R N -0.115 120.448 120.500 0.105 0.000 2.096 49 R HA -0.144 4.191 4.340 -0.008 0.000 0.235 49 R C 1.613 178.096 176.300 0.305 0.000 1.127 49 R CA 1.743 57.952 56.100 0.181 0.000 0.968 49 R CB -0.663 29.653 30.300 0.026 0.000 0.861 49 R HN 0.084 nan 8.270 nan 0.000 0.440 50 D N -0.304 120.137 120.400 0.068 0.000 2.117 50 D HA -0.180 4.455 4.640 -0.008 0.000 0.197 50 D C 1.690 178.010 176.300 0.033 0.000 0.987 50 D CA 1.305 55.291 54.000 -0.024 0.000 0.829 50 D CB -0.332 40.303 40.800 -0.275 0.000 0.961 50 D HN 0.298 nan 8.370 nan 0.000 0.460 51 Y N -0.078 120.329 120.300 0.179 0.000 2.242 51 Y HA -0.188 4.357 4.550 -0.008 0.000 0.291 51 Y C 2.287 178.333 175.900 0.242 0.000 1.137 51 Y CA 0.322 58.569 58.100 0.245 0.000 1.181 51 Y CB -1.037 37.620 38.460 0.329 0.000 0.989 51 Y HN 0.092 nan 8.280 nan 0.000 0.527 52 Y N -0.527 119.935 120.300 0.269 0.000 2.145 52 Y HA -0.265 4.280 4.550 -0.009 0.000 0.286 52 Y C 1.920 177.813 175.900 -0.011 0.000 1.145 52 Y CA 1.236 59.396 58.100 0.100 0.000 1.148 52 Y CB -1.119 37.311 38.460 -0.049 0.000 0.981 52 Y HN 0.037 nan 8.280 nan 0.000 0.507 53 F N 0.298 120.030 119.950 -0.363 0.000 2.171 53 F HA -0.120 4.402 4.527 -0.008 0.000 0.300 53 F C 2.640 178.287 175.800 -0.254 0.000 1.090 53 F CA 1.354 59.093 58.000 -0.435 0.000 1.293 53 F CB -0.891 38.030 39.000 -0.131 0.000 1.013 53 F HN 0.202 nan 8.300 nan 0.000 0.486 54 A N -0.170 122.610 122.820 -0.067 0.000 1.902 54 A HA -0.179 4.136 4.320 -0.008 0.000 0.217 54 A C 2.078 179.572 177.584 -0.150 0.000 1.181 54 A CA 1.588 53.467 52.037 -0.263 0.000 0.623 54 A CB -1.018 17.491 19.000 -0.819 0.000 0.818 54 A HN 0.339 nan 8.150 nan 0.000 0.443 55 L N -0.265 120.987 121.223 0.047 0.000 2.056 55 L HA -0.007 4.328 4.340 -0.008 0.000 0.207 55 L C 2.658 179.520 176.870 -0.014 0.000 1.078 55 L CA 2.134 57.108 54.840 0.224 0.000 0.749 55 L CB -0.945 41.295 42.059 0.302 0.000 0.901 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.202 121.424 122.820 -0.324 0.000 1.883 56 A HA -0.280 4.034 4.320 -0.008 0.000 0.217 56 A C 2.146 179.381 177.584 -0.581 0.000 1.186 56 A CA 2.011 53.732 52.037 -0.527 0.000 0.624 56 A CB -1.096 17.255 19.000 -1.083 0.000 0.822 56 A HN 0.669 nan 8.150 nan 0.000 0.444 57 H N -0.821 117.940 119.070 -0.514 0.000 2.421 57 H HA -0.051 4.500 4.556 -0.008 0.000 0.298 57 H C 2.313 177.405 175.328 -0.392 0.000 1.087 57 H CA 1.921 57.598 56.048 -0.617 0.000 1.330 57 H CB -0.162 28.949 29.762 -1.085 0.000 1.388 57 H HN 0.463 nan 8.280 nan 0.000 0.526 58 T N -0.381 114.153 114.554 -0.034 0.000 2.777 58 T HA -0.124 4.221 4.350 -0.008 0.000 0.266 58 T C 2.251 177.128 174.700 0.295 0.000 1.040 58 T CA 1.328 63.581 62.100 0.254 0.000 1.141 58 T CB -0.351 68.722 68.868 0.342 0.000 0.868 58 T HN 0.099 nan 8.240 nan 0.000 0.444 59 V N 1.544 121.591 119.914 0.222 0.000 2.358 59 V HA -0.117 3.998 4.120 -0.008 0.000 0.246 59 V C 2.598 178.869 176.094 0.295 0.000 1.047 59 V CA 1.601 64.069 62.300 0.278 0.000 1.035 59 V CB -0.636 31.345 31.823 0.263 0.000 0.658 59 V HN 0.371 nan 8.190 nan 0.000 0.452 60 R N 0.338 120.951 120.500 0.189 0.000 2.103 60 R HA -0.234 4.101 4.340 -0.008 0.000 0.242 60 R C 1.980 178.380 176.300 0.166 0.000 1.142 60 R CA 2.230 58.434 56.100 0.173 0.000 0.960 60 R CB -0.460 29.776 30.300 -0.108 0.000 0.858 60 R HN 0.464 nan 8.270 nan 0.000 0.439 61 D N -0.114 120.372 120.400 0.143 0.000 2.158 61 D HA -0.182 4.453 4.640 -0.008 0.000 0.197 61 D C 1.703 178.018 176.300 0.024 0.000 0.995 61 D CA 1.193 55.248 54.000 0.093 0.000 0.846 61 D CB -0.411 40.437 40.800 0.080 0.000 0.941 61 D HN 0.470 nan 8.370 nan 0.000 0.456 62 H N -0.402 118.733 119.070 0.109 0.000 2.521 62 H HA 0.040 4.591 4.556 -0.008 0.000 0.286 62 H C 2.152 177.523 175.328 0.071 0.000 1.034 62 H CA 0.387 56.482 56.048 0.080 0.000 1.278 62 H CB 0.342 30.143 29.762 0.065 0.000 1.386 62 H HN 0.213 nan 8.280 nan 0.000 0.567 63 L N 0.337 121.669 121.223 0.182 0.000 2.202 63 L HA -0.099 4.236 4.340 -0.008 0.000 0.205 63 L C 2.767 179.748 176.870 0.185 0.000 1.083 63 L CA 0.412 55.328 54.840 0.128 0.000 0.790 63 L CB -0.177 41.927 42.059 0.075 0.000 0.942 63 L HN 0.091 nan 8.230 nan 0.000 0.452 64 V N -1.648 118.400 119.914 0.224 0.000 2.250 64 V HA -0.238 3.877 4.120 -0.008 0.000 0.250 64 V C 2.308 178.516 176.094 0.191 0.000 1.060 64 V CA 2.260 64.723 62.300 0.271 0.000 1.030 64 V CB -1.912 30.022 31.823 0.185 0.000 0.643 64 V HN 0.406 nan 8.190 nan 0.000 0.445 65 G N 0.277 109.143 108.800 0.110 0.000 2.476 65 G HA2 -0.262 3.692 3.960 -0.008 0.000 0.218 65 G HA3 -0.262 3.692 3.960 -0.008 0.000 0.218 65 G C 1.756 176.703 174.900 0.078 0.000 1.164 65 G CA 1.103 46.244 45.100 0.068 0.000 0.768 65 G HN 0.580 nan 8.290 nan 0.000 0.560 66 R N -1.486 119.069 120.500 0.092 0.000 2.092 66 R HA -0.068 4.267 4.340 -0.008 0.000 0.231 66 R C 2.273 178.655 176.300 0.136 0.000 1.119 66 R CA 1.079 57.221 56.100 0.070 0.000 0.970 66 R CB -0.337 29.988 30.300 0.041 0.000 0.864 66 R HN 0.490 nan 8.270 nan 0.000 0.440 67 W N 1.662 122.943 121.300 -0.031 0.000 2.379 67 W HA -0.042 4.613 4.660 -0.008 0.000 0.307 67 W C 1.698 178.193 176.519 -0.041 0.000 1.200 67 W CA 0.796 58.120 57.345 -0.034 0.000 1.297 67 W CB -0.533 28.925 29.460 -0.003 0.000 1.140 67 W HN -0.058 nan 8.180 nan 0.000 0.507 68 I N 1.078 121.707 120.570 0.099 0.000 2.226 68 I HA -0.331 3.834 4.170 -0.008 0.000 0.245 68 I C 2.639 178.740 176.117 -0.027 0.000 1.100 68 I CA 1.929 63.199 61.300 -0.049 0.000 1.374 68 I CB -0.557 37.418 38.000 -0.042 0.000 1.057 68 I HN -0.019 nan 8.210 nan 0.000 0.413 69 R N 0.112 120.611 120.500 -0.000 0.000 2.148 69 R HA -0.031 4.304 4.340 -0.008 0.000 0.223 69 R C 1.926 178.192 176.300 -0.056 0.000 1.088 69 R CA 1.372 57.462 56.100 -0.017 0.000 0.985 69 R CB -1.104 29.185 30.300 -0.018 0.000 0.880 69 R HN 0.171 nan 8.270 nan 0.000 0.451 70 T N 1.590 116.091 114.554 -0.088 0.000 2.708 70 T HA -0.097 4.248 4.350 -0.008 0.000 0.266 70 T C 1.804 176.257 174.700 -0.411 0.000 1.037 70 T CA 1.289 63.230 62.100 -0.265 0.000 1.146 70 T CB -0.101 68.649 68.868 -0.196 0.000 0.865 70 T HN 0.225 nan 8.240 nan 0.000 0.435 71 Q N 0.811 120.511 119.800 -0.167 0.000 2.124 71 Q HA -0.084 4.251 4.340 -0.008 0.000 0.202 71 Q C 2.326 178.346 176.000 0.034 0.000 0.977 71 Q CA 1.272 57.051 55.803 -0.040 0.000 0.850 71 Q CB -0.493 28.245 28.738 0.001 0.000 0.901 71 Q HN 0.489 nan 8.270 nan 0.000 0.429 72 Q N -0.005 119.805 119.800 0.016 0.000 2.119 72 Q HA -0.173 4.162 4.340 -0.008 0.000 0.201 72 Q C 1.880 177.971 176.000 0.152 0.000 0.972 72 Q CA 1.767 57.624 55.803 0.090 0.000 0.847 72 Q CB -0.317 28.454 28.738 0.054 0.000 0.903 72 Q HN 0.532 nan 8.270 nan 0.000 0.433 73 H N -0.924 118.120 119.070 -0.044 0.000 2.319 73 H HA -0.175 4.376 4.556 -0.008 0.000 0.299 73 H C 1.136 176.523 175.328 0.099 0.000 1.092 73 H CA 2.302 58.330 56.048 -0.034 0.000 1.302 73 H CB -0.351 29.312 29.762 -0.164 0.000 1.373 73 H HN 0.353 nan 8.280 nan 0.000 0.497 74 Y N -1.049 119.297 120.300 0.076 0.000 2.274 74 Y HA -0.191 4.354 4.550 -0.009 0.000 0.290 74 Y C 2.409 178.341 175.900 0.053 0.000 1.145 74 Y CA 1.028 59.139 58.100 0.019 0.000 1.203 74 Y CB -1.261 37.268 38.460 0.115 0.000 0.984 74 Y HN 0.365 nan 8.280 nan 0.000 0.533 75 Y N 1.273 121.655 120.300 0.135 0.000 2.200 75 Y HA -0.157 4.388 4.550 -0.009 0.000 0.290 75 Y C 2.106 178.017 175.900 0.019 0.000 1.137 75 Y CA 1.587 59.731 58.100 0.073 0.000 1.163 75 Y CB -0.111 38.384 38.460 0.057 0.000 0.988 75 Y HN 0.035 nan 8.280 nan 0.000 0.518 76 E N 0.489 120.675 120.200 -0.023 0.000 2.047 76 E HA -0.178 4.167 4.350 -0.008 0.000 0.191 76 E C 2.004 178.507 176.600 -0.162 0.000 0.987 76 E CA 1.486 57.813 56.400 -0.122 0.000 0.799 76 E CB -0.297 29.390 29.700 -0.023 0.000 0.752 76 E HN 0.517 nan 8.360 nan 0.000 0.449 77 K N 0.518 120.812 120.400 -0.177 0.000 2.305 77 K HA -0.068 4.247 4.320 -0.008 0.000 0.199 77 K C 0.050 176.585 176.600 -0.107 0.000 1.047 77 K CA 0.496 56.687 56.287 -0.161 0.000 0.976 77 K CB 0.046 32.398 32.500 -0.247 0.000 0.765 77 K HN -0.006 nan 8.250 nan 0.000 0.474 78 D N 0.978 121.327 120.400 -0.085 0.000 2.735 78 D HA -0.103 4.532 4.640 -0.008 0.000 0.235 78 D C -2.387 173.888 176.300 -0.042 0.000 1.175 78 D CA 0.054 54.019 54.000 -0.058 0.000 0.683 78 D CB -0.065 40.672 40.800 -0.104 0.000 1.008 78 D HN 0.172 nan 8.370 nan 0.000 0.416 79 P HA 0.108 nan 4.420 nan 0.000 0.277 79 P C -0.189 177.072 177.300 -0.066 0.000 1.271 79 P CA -0.645 62.421 63.100 -0.056 0.000 0.795 79 P CB 0.650 32.305 31.700 -0.074 0.000 1.101 80 K N 0.896 121.258 120.400 -0.063 0.000 2.412 80 K HA 0.090 4.405 4.320 -0.008 0.000 0.281 80 K C -0.053 176.461 176.600 -0.142 0.000 1.027 80 K CA -0.098 56.146 56.287 -0.072 0.000 0.989 80 K CB 0.245 32.718 32.500 -0.045 0.000 0.935 80 K HN 0.237 nan 8.250 nan 0.000 0.475 81 R N 3.484 123.887 120.500 -0.161 0.000 2.368 81 R HA 0.353 4.688 4.340 -0.008 0.000 0.302 81 R C -0.544 175.481 176.300 -0.459 0.000 1.002 81 R CA -0.444 55.476 56.100 -0.301 0.000 0.929 81 R CB 0.818 30.948 30.300 -0.283 0.000 1.073 81 R HN 0.500 nan 8.270 nan 0.000 0.464 82 I N 4.403 124.639 120.570 -0.557 0.000 2.339 82 I HA 0.225 4.390 4.170 -0.008 0.000 0.290 82 I C -0.710 175.087 176.117 -0.533 0.000 0.994 82 I CA -0.780 60.149 61.300 -0.620 0.000 1.191 82 I CB 0.982 38.500 38.000 -0.804 0.000 1.343 82 I HN 0.536 nan 8.210 nan 0.000 0.458 83 Y N 5.946 126.213 120.300 -0.055 0.000 2.345 83 Y HA 0.291 4.836 4.550 -0.008 0.000 0.331 83 Y C -0.327 175.684 175.900 0.185 0.000 0.959 83 Y CA -0.753 57.445 58.100 0.162 0.000 1.204 83 Y CB 1.182 39.711 38.460 0.115 0.000 1.135 83 Y HN 0.391 nan 8.280 nan 0.000 0.477 84 Y N 4.569 125.047 120.300 0.297 0.000 2.454 84 Y HA 0.483 5.028 4.550 -0.008 0.000 0.345 84 Y C -1.238 174.924 175.900 0.436 0.000 0.970 84 Y CA -1.002 57.281 58.100 0.305 0.000 1.204 84 Y CB 0.299 38.939 38.460 0.300 0.000 1.122 84 Y HN 0.498 nan 8.280 nan 0.000 0.514 85 L N 5.023 126.311 121.223 0.108 0.000 2.265 85 L HA 0.485 4.820 4.340 -0.008 0.000 0.288 85 L C -0.123 176.770 176.870 0.038 0.000 1.058 85 L CA 0.113 55.066 54.840 0.188 0.000 0.809 85 L CB 1.275 43.410 42.059 0.126 0.000 1.179 85 L HN 0.575 nan 8.230 nan 0.000 0.429 86 S N 2.337 118.149 115.700 0.186 0.000 2.541 86 S HA 0.523 4.988 4.470 -0.008 0.000 0.271 86 S C 0.164 174.865 174.600 0.169 0.000 1.133 86 S CA -0.502 57.706 58.200 0.013 0.000 0.876 86 S CB 1.041 64.020 63.200 -0.368 0.000 1.105 86 S HN 0.452 nan 8.310 nan 0.000 0.470 87 L N 2.679 124.032 121.223 0.217 0.000 2.591 87 L HA 0.467 4.802 4.340 -0.008 0.000 0.228 87 L C 0.273 177.348 176.870 0.343 0.000 1.133 87 L CA 0.947 55.983 54.840 0.328 0.000 0.880 87 L CB -0.137 42.132 42.059 0.350 0.000 1.033 87 L HN 0.646 nan 8.230 nan 0.000 0.450 88 E N -1.308 118.961 120.200 0.114 0.000 2.292 88 E HA 0.415 4.760 4.350 -0.008 0.000 0.272 88 E C -1.393 175.064 176.600 -0.238 0.000 0.881 88 E CA -0.449 55.993 56.400 0.071 0.000 0.754 88 E CB 1.943 31.659 29.700 0.027 0.000 1.201 88 E HN -0.170 nan 8.360 nan 0.000 0.425 89 F N 2.132 122.187 119.950 0.175 0.000 2.902 89 F HA 0.162 4.684 4.527 -0.009 0.000 0.368 89 F C -0.872 175.014 175.800 0.143 0.000 1.202 89 F CA -0.720 57.373 58.000 0.154 0.000 1.109 89 F CB 0.931 40.014 39.000 0.138 0.000 1.418 89 F HN 0.493 nan 8.300 nan 0.000 0.527 90 Y N 5.141 125.506 120.300 0.108 0.000 2.636 90 Y HA 0.183 4.728 4.550 -0.008 0.000 0.334 90 Y C 1.111 177.028 175.900 0.027 0.000 1.286 90 Y CA -0.894 57.224 58.100 0.030 0.000 1.688 90 Y CB 0.218 38.679 38.460 0.001 0.000 1.662 90 Y HN 0.530 nan 8.280 nan 0.000 0.465 91 M N 0.983 120.700 119.600 0.196 0.000 2.254 91 M HA 0.085 4.560 4.480 -0.008 0.000 0.265 91 M C 1.598 177.863 176.300 -0.058 0.000 1.066 91 M CA 1.128 56.456 55.300 0.047 0.000 1.123 91 M CB -1.247 31.363 32.600 0.017 0.000 1.388 91 M HN 0.643 nan 8.290 nan 0.000 0.425 92 G N 1.072 109.843 108.800 -0.050 0.000 2.562 92 G HA2 -0.266 3.689 3.960 -0.008 0.000 0.250 92 G HA3 -0.266 3.689 3.960 -0.008 0.000 0.250 92 G C -0.292 174.554 174.900 -0.089 0.000 1.269 92 G CA -0.314 44.721 45.100 -0.108 0.000 0.919 92 G HN 0.437 nan 8.290 nan 0.000 0.574 93 R N -0.683 119.748 120.500 -0.115 0.000 2.531 93 R HA 0.572 4.907 4.340 -0.008 0.000 0.273 93 R C 1.107 177.286 176.300 -0.202 0.000 1.070 93 R CA 0.319 56.362 56.100 -0.095 0.000 1.112 93 R CB 0.716 30.970 30.300 -0.076 0.000 1.049 93 R HN 0.528 nan 8.270 nan 0.000 0.508 94 T N 1.194 115.575 114.554 -0.289 0.000 2.978 94 T HA -0.009 4.336 4.350 -0.008 0.000 0.248 94 T C 1.453 175.756 174.700 -0.663 0.000 1.018 94 T CA -0.157 61.557 62.100 -0.643 0.000 1.026 94 T CB 0.123 68.212 68.868 -1.298 0.000 1.032 94 T HN 0.308 nan 8.240 nan 0.000 0.485 95 L N 2.066 123.130 121.223 -0.264 0.000 1.956 95 L HA -0.099 4.236 4.340 -0.008 0.000 0.216 95 L C 2.502 179.332 176.870 -0.066 0.000 1.073 95 L CA 2.061 56.903 54.840 0.004 0.000 0.762 95 L CB -0.746 41.519 42.059 0.343 0.000 0.889 95 L HN 0.198 nan 8.230 nan 0.000 0.433 96 Q N -0.816 118.948 119.800 -0.058 0.000 2.084 96 Q HA -0.261 4.074 4.340 -0.008 0.000 0.202 96 Q C 2.227 178.153 176.000 -0.122 0.000 0.978 96 Q CA 1.945 57.706 55.803 -0.070 0.000 0.844 96 Q CB -0.357 28.339 28.738 -0.071 0.000 0.898 96 Q HN 0.711 nan 8.270 nan 0.000 0.426 97 N N -1.062 117.525 118.700 -0.188 0.000 2.149 97 N HA -0.145 4.590 4.740 -0.008 0.000 0.188 97 N C 1.308 176.708 175.510 -0.183 0.000 1.019 97 N CA 1.765 54.694 53.050 -0.201 0.000 0.857 97 N CB 0.060 38.392 38.487 -0.258 0.000 0.997 97 N HN 0.240 nan 8.380 nan 0.000 0.426 98 T N 1.216 115.628 114.554 -0.236 0.000 2.777 98 T HA -0.034 4.311 4.350 -0.008 0.000 0.266 98 T C 2.051 176.688 174.700 -0.105 0.000 1.040 98 T CA 0.983 62.963 62.100 -0.201 0.000 1.141 98 T CB -0.043 68.662 68.868 -0.272 0.000 0.868 98 T HN 0.269 nan 8.240 nan 0.000 0.444 99 M N 0.622 120.176 119.600 -0.076 0.000 2.117 99 M HA -0.075 4.400 4.480 -0.008 0.000 0.262 99 M C 2.462 178.727 176.300 -0.057 0.000 1.065 99 M CA 1.191 56.459 55.300 -0.052 0.000 1.114 99 M CB -0.657 31.927 32.600 -0.027 0.000 1.361 99 M HN 0.103 nan 8.290 nan 0.000 0.408 100 V N 0.969 120.855 119.914 -0.047 0.000 2.295 100 V HA -0.269 3.846 4.120 -0.008 0.000 0.246 100 V C 1.731 177.834 176.094 0.016 0.000 1.049 100 V CA 2.031 64.329 62.300 -0.002 0.000 1.024 100 V CB -0.906 30.920 31.823 0.004 0.000 0.648 100 V HN 0.467 nan 8.190 nan 0.000 0.447 101 N N -0.327 118.369 118.700 -0.006 0.000 2.453 101 N HA -0.054 4.681 4.740 -0.008 0.000 0.183 101 N C 1.036 176.448 175.510 -0.164 0.000 1.041 101 N CA 0.720 53.745 53.050 -0.042 0.000 0.900 101 N CB -0.106 38.366 38.487 -0.024 0.000 0.961 101 N HN 0.286 nan 8.380 nan 0.000 0.443 102 L N -0.368 120.778 121.223 -0.127 0.000 2.640 102 L HA 0.414 4.749 4.340 -0.008 0.000 0.230 102 L C 0.556 177.343 176.870 -0.138 0.000 1.123 102 L CA -0.245 54.520 54.840 -0.126 0.000 0.900 102 L CB -0.694 41.315 42.059 -0.083 0.000 1.146 102 L HN 0.081 nan 8.230 nan 0.000 0.484 103 A N -0.280 122.455 122.820 -0.143 0.000 2.791 103 A HA -0.225 4.090 4.320 -0.008 0.000 0.292 103 A C 1.090 178.617 177.584 -0.097 0.000 1.487 103 A CA 1.196 53.161 52.037 -0.120 0.000 0.760 103 A CB -2.031 16.882 19.000 -0.144 0.000 1.031 103 A HN 0.335 nan 8.150 nan 0.000 0.503 104 L N -1.585 119.581 121.223 -0.094 0.000 2.766 104 L HA 0.166 4.501 4.340 -0.008 0.000 0.242 104 L C 1.875 178.707 176.870 -0.063 0.000 1.136 104 L CA 0.645 55.425 54.840 -0.101 0.000 0.933 104 L CB 0.089 42.056 42.059 -0.153 0.000 1.241 104 L HN 0.639 nan 8.230 nan 0.000 0.522 105 E N 0.911 121.084 120.200 -0.046 0.000 2.038 105 E HA -0.244 4.101 4.350 -0.008 0.000 0.195 105 E C 1.678 178.263 176.600 -0.025 0.000 1.000 105 E CA 1.565 57.948 56.400 -0.028 0.000 0.803 105 E CB 0.246 29.932 29.700 -0.022 0.000 0.750 105 E HN 0.415 nan 8.360 nan 0.000 0.448 106 N N -0.021 118.662 118.700 -0.029 0.000 2.188 106 N HA -0.120 4.615 4.740 -0.008 0.000 0.184 106 N C 1.576 177.070 175.510 -0.026 0.000 1.018 106 N CA 1.174 54.207 53.050 -0.029 0.000 0.858 106 N CB -0.361 38.108 38.487 -0.029 0.000 0.989 106 N HN 0.216 nan 8.380 nan 0.000 0.426 107 A N 0.540 123.342 122.820 -0.031 0.000 1.877 107 A HA -0.155 4.160 4.320 -0.008 0.000 0.216 107 A C 2.672 180.245 177.584 -0.018 0.000 1.186 107 A CA 1.388 53.409 52.037 -0.026 0.000 0.620 107 A CB -1.051 17.923 19.000 -0.042 0.000 0.822 107 A HN 0.436 nan 8.150 nan 0.000 0.443 108 C N -0.900 118.388 119.300 -0.020 0.000 2.440 108 C HA -0.062 4.393 4.460 -0.008 0.000 0.278 108 C C 2.456 177.444 174.990 -0.004 0.000 1.295 108 C CA 1.192 60.208 59.018 -0.004 0.000 1.738 108 C CB -1.168 26.579 27.740 0.012 0.000 1.987 108 C HN 0.741 nan 8.230 nan 0.000 0.492 109 D N 0.670 121.068 120.400 -0.004 0.000 2.117 109 D HA -0.145 4.490 4.640 -0.008 0.000 0.197 109 D C 2.120 178.432 176.300 0.021 0.000 0.987 109 D CA 1.493 55.493 54.000 0.001 0.000 0.829 109 D CB -0.194 40.596 40.800 -0.017 0.000 0.961 109 D HN 0.468 nan 8.370 nan 0.000 0.460 110 E N 0.138 120.346 120.200 0.013 0.000 2.047 110 E HA -0.054 4.291 4.350 -0.008 0.000 0.191 110 E C 1.894 178.539 176.600 0.074 0.000 0.987 110 E CA 1.564 57.997 56.400 0.055 0.000 0.799 110 E CB -0.619 29.096 29.700 0.025 0.000 0.752 110 E HN 0.224 nan 8.360 nan 0.000 0.449 111 A N -0.015 122.810 122.820 0.009 0.000 1.883 111 A HA -0.237 4.078 4.320 -0.008 0.000 0.217 111 A C 2.525 180.035 177.584 -0.123 0.000 1.186 111 A CA 3.056 55.069 52.037 -0.041 0.000 0.624 111 A CB -1.579 17.398 19.000 -0.039 0.000 0.822 111 A HN 0.533 nan 8.150 nan 0.000 0.444 112 T N -3.678 110.794 114.554 -0.138 0.000 2.867 112 T HA -0.216 4.128 4.350 -0.008 0.000 0.268 112 T C 1.834 176.451 174.700 -0.139 0.000 1.057 112 T CA 1.544 63.501 62.100 -0.239 0.000 1.136 112 T CB -0.584 68.181 68.868 -0.171 0.000 0.874 112 T HN 0.471 nan 8.240 nan 0.000 0.466 113 Y N 2.237 122.455 120.300 -0.136 0.000 2.128 113 Y HA -0.115 4.430 4.550 -0.008 0.000 0.284 113 Y C 2.613 178.451 175.900 -0.104 0.000 1.154 113 Y CA 1.592 59.631 58.100 -0.101 0.000 1.149 113 Y CB -0.649 37.771 38.460 -0.068 0.000 0.976 113 Y HN 0.250 nan 8.280 nan 0.000 0.505 114 Q N -0.917 118.768 119.800 -0.192 0.000 2.226 114 Q HA -0.134 4.201 4.340 -0.008 0.000 0.204 114 Q C 1.521 177.369 176.000 -0.253 0.000 0.975 114 Q CA 1.035 56.686 55.803 -0.253 0.000 0.866 114 Q CB -0.107 28.577 28.738 -0.091 0.000 0.915 114 Q HN 0.358 nan 8.270 nan 0.000 0.440 115 L N -0.932 120.136 121.223 -0.257 0.000 2.591 115 L HA 0.148 4.483 4.340 -0.008 0.000 0.228 115 L C 1.027 177.736 176.870 -0.267 0.000 1.133 115 L CA 1.107 55.791 54.840 -0.260 0.000 0.880 115 L CB -0.194 41.636 42.059 -0.382 0.000 1.033 115 L HN 0.290 nan 8.230 nan 0.000 0.450 116 G N -0.138 108.486 108.800 -0.293 0.000 2.182 116 G HA2 -0.242 3.713 3.960 -0.008 0.000 0.248 116 G HA3 -0.242 3.713 3.960 -0.008 0.000 0.248 116 G C -0.006 174.764 174.900 -0.216 0.000 1.042 116 G CA 0.282 45.228 45.100 -0.255 0.000 0.775 116 G HN 0.271 nan 8.290 nan 0.000 0.501 117 L N -0.426 120.669 121.223 -0.213 0.000 2.370 117 L HA 0.600 4.935 4.340 -0.008 0.000 0.266 117 L C -0.723 176.117 176.870 -0.051 0.000 1.002 117 L CA -1.196 53.544 54.840 -0.167 0.000 0.818 117 L CB 2.017 43.910 42.059 -0.277 0.000 1.325 117 L HN 0.101 nan 8.230 nan 0.000 0.418 118 D N 2.068 122.466 120.400 -0.004 0.000 2.396 118 D HA 0.187 4.822 4.640 -0.008 0.000 0.225 118 D C 0.657 176.984 176.300 0.046 0.000 1.121 118 D CA -0.271 53.753 54.000 0.040 0.000 0.853 118 D CB 1.504 42.332 40.800 0.047 0.000 1.043 118 D HN 0.517 nan 8.370 nan 0.000 0.500 119 M N 3.119 122.746 119.600 0.045 0.000 2.149 119 M HA -0.163 4.312 4.480 -0.008 0.000 0.261 119 M C 1.321 177.664 176.300 0.072 0.000 1.064 119 M CA 1.596 56.932 55.300 0.061 0.000 1.102 119 M CB 0.180 32.808 32.600 0.047 0.000 1.369 119 M HN 0.429 nan 8.290 nan 0.000 0.408 120 E N -0.230 120.003 120.200 0.055 0.000 2.110 120 E HA -0.259 4.086 4.350 -0.008 0.000 0.193 120 E C 1.852 178.488 176.600 0.061 0.000 0.988 120 E CA 1.443 57.875 56.400 0.053 0.000 0.804 120 E CB -0.133 29.594 29.700 0.046 0.000 0.745 120 E HN 0.641 nan 8.360 nan 0.000 0.458 121 E N 0.335 120.573 120.200 0.065 0.000 2.106 121 E HA -0.191 4.154 4.350 -0.008 0.000 0.192 121 E C 1.860 178.508 176.600 0.079 0.000 0.984 121 E CA 0.570 57.010 56.400 0.066 0.000 0.806 121 E CB 0.182 29.922 29.700 0.066 0.000 0.750 121 E HN 0.083 nan 8.360 nan 0.000 0.458 122 L N 1.387 122.679 121.223 0.114 0.000 2.093 122 L HA -0.120 4.215 4.340 -0.008 0.000 0.208 122 L C 2.040 178.987 176.870 0.129 0.000 1.085 122 L CA 1.587 56.532 54.840 0.175 0.000 0.755 122 L CB -0.523 41.688 42.059 0.253 0.000 0.904 122 L HN 0.129 nan 8.230 nan 0.000 0.435 123 E N -0.599 119.662 120.200 0.102 0.000 2.153 123 E HA -0.194 4.151 4.350 -0.008 0.000 0.194 123 E C 1.745 178.318 176.600 -0.045 0.000 0.988 123 E CA 0.801 57.233 56.400 0.054 0.000 0.811 123 E CB -0.056 29.677 29.700 0.055 0.000 0.746 123 E HN 0.428 nan 8.360 nan 0.000 0.466 124 E N 0.390 120.579 120.200 -0.018 0.000 2.409 124 E HA -0.103 4.242 4.350 -0.008 0.000 0.198 124 E C 1.838 178.387 176.600 -0.085 0.000 1.024 124 E CA 0.538 56.926 56.400 -0.021 0.000 0.861 124 E CB 0.054 29.772 29.700 0.030 0.000 0.788 124 E HN 0.436 nan 8.360 nan 0.000 0.521 125 I N 0.666 121.124 120.570 -0.187 0.000 2.716 125 I HA -0.079 4.086 4.170 -0.008 0.000 0.259 125 I C 1.361 177.192 176.117 -0.476 0.000 1.172 125 I CA 0.125 61.256 61.300 -0.282 0.000 1.478 125 I CB 0.074 37.916 38.000 -0.262 0.000 1.104 125 I HN -0.015 nan 8.210 nan 0.000 0.439 126 E N 2.737 122.521 120.200 -0.694 0.000 2.384 126 E HA -0.031 4.314 4.350 -0.008 0.000 0.266 126 E C -0.227 176.296 176.600 -0.129 0.000 1.012 126 E CA -0.206 55.849 56.400 -0.576 0.000 0.901 126 E CB 0.686 30.159 29.700 -0.378 0.000 0.967 126 E HN 0.074 nan 8.360 nan 0.000 0.435 127 E N 3.298 123.523 120.200 0.042 0.000 2.331 127 E HA 0.090 4.435 4.350 -0.008 0.000 0.272 127 E C -0.867 175.848 176.600 0.192 0.000 1.036 127 E CA -0.244 56.262 56.400 0.176 0.000 0.864 127 E CB 0.859 30.754 29.700 0.325 0.000 1.035 127 E HN 0.489 nan 8.360 nan 0.000 0.408 128 D N 0.587 121.070 120.400 0.138 0.000 2.382 128 D HA 0.216 4.850 4.640 -0.008 0.000 0.245 128 D C -0.410 175.916 176.300 0.044 0.000 1.120 128 D CA 0.048 54.091 54.000 0.072 0.000 0.890 128 D CB 0.727 41.548 40.800 0.035 0.000 1.201 128 D HN 0.370 nan 8.370 nan 0.000 0.433 129 A N 2.146 124.934 122.820 -0.053 0.000 2.798 129 A HA 0.488 4.803 4.320 -0.008 0.000 0.316 129 A C 0.904 178.317 177.584 -0.285 0.000 1.506 129 A CA -0.531 51.261 52.037 -0.409 0.000 1.162 129 A CB -0.241 18.613 19.000 -0.243 0.000 1.138 129 A HN 0.524 nan 8.150 nan 0.000 0.532 130 G N 1.939 110.543 108.800 -0.326 0.000 3.717 130 G HA2 0.417 4.372 3.960 -0.008 0.000 0.258 130 G HA3 0.417 4.372 3.960 -0.008 0.000 0.258 130 G C 0.279 175.001 174.900 -0.296 0.000 1.088 130 G CA -0.293 44.733 45.100 -0.123 0.000 1.737 130 G HN 0.688 nan 8.290 nan 0.000 0.648 131 L N 1.473 122.566 121.223 -0.216 0.000 2.939 131 L HA 0.394 4.729 4.340 -0.008 0.000 0.239 131 L C 1.020 177.835 176.870 -0.090 0.000 1.325 131 L CA -0.241 54.559 54.840 -0.066 0.000 1.170 131 L CB -0.374 41.769 42.059 0.139 0.000 1.538 131 L HN 0.336 nan 8.230 nan 0.000 0.452 132 G N -1.206 107.317 108.800 -0.463 0.000 2.623 132 G HA2 0.204 4.159 3.960 -0.008 0.000 0.290 132 G HA3 0.204 4.159 3.960 -0.008 0.000 0.290 132 G C -0.186 174.209 174.900 -0.842 0.000 1.437 132 G CA -0.453 44.313 45.100 -0.557 0.000 0.798 132 G HN -0.065 nan 8.290 nan 0.000 0.488 133 N N -0.824 117.612 118.700 -0.440 0.000 2.436 133 N HA 0.217 4.952 4.740 -0.008 0.000 0.178 133 N C 1.136 176.596 175.510 -0.084 0.000 1.026 133 N CA 1.273 54.167 53.050 -0.259 0.000 0.880 133 N CB 1.288 39.747 38.487 -0.047 0.000 1.061 133 N HN 0.819 nan 8.380 nan 0.000 0.434 134 G N -0.702 108.133 108.800 0.059 0.000 2.818 134 G HA2 0.221 4.176 3.960 -0.008 0.000 0.109 134 G HA3 0.221 4.176 3.960 -0.008 0.000 0.109 134 G C 0.728 175.755 174.900 0.211 0.000 1.206 134 G CA 0.237 45.488 45.100 0.251 0.000 1.243 134 G HN 0.145 nan 8.290 nan 0.000 0.609 135 G N 0.405 109.271 108.800 0.110 0.000 2.476 135 G HA2 -0.143 3.812 3.960 -0.008 0.000 0.218 135 G HA3 -0.143 3.812 3.960 -0.008 0.000 0.218 135 G C 1.883 176.771 174.900 -0.020 0.000 1.164 135 G CA 1.552 46.675 45.100 0.038 0.000 0.768 135 G HN 0.769 nan 8.290 nan 0.000 0.560 136 L N 0.578 121.765 121.223 -0.061 0.000 2.017 136 L HA 0.075 4.410 4.340 -0.008 0.000 0.208 136 L C 2.853 179.640 176.870 -0.138 0.000 1.073 136 L CA 1.998 56.712 54.840 -0.210 0.000 0.745 136 L CB -0.565 41.337 42.059 -0.261 0.000 0.894 136 L HN 0.247 nan 8.230 nan 0.000 0.432 137 G N -0.648 108.134 108.800 -0.030 0.000 2.408 137 G HA2 -0.290 3.665 3.960 -0.008 0.000 0.217 137 G HA3 -0.290 3.665 3.960 -0.008 0.000 0.217 137 G C 1.646 176.608 174.900 0.103 0.000 1.150 137 G CA 0.644 45.749 45.100 0.008 0.000 0.776 137 G HN 0.300 nan 8.290 nan 0.000 0.542 138 R N 0.345 120.943 120.500 0.163 0.000 2.115 138 R HA 0.132 4.467 4.340 -0.008 0.000 0.226 138 R C 2.224 178.518 176.300 -0.009 0.000 1.100 138 R CA 0.799 56.968 56.100 0.115 0.000 0.980 138 R CB -1.056 29.280 30.300 0.061 0.000 0.875 138 R HN 0.327 nan 8.270 nan 0.000 0.445 139 L N 0.371 121.515 121.223 -0.131 0.000 2.046 139 L HA 0.053 4.388 4.340 -0.008 0.000 0.208 139 L C 2.108 178.660 176.870 -0.529 0.000 1.077 139 L CA 2.115 56.724 54.840 -0.386 0.000 0.747 139 L CB -0.846 40.944 42.059 -0.449 0.000 0.896 139 L HN 0.244 nan 8.230 nan 0.000 0.432 140 A N -0.561 122.098 122.820 -0.269 0.000 1.902 140 A HA -0.128 4.187 4.320 -0.008 0.000 0.217 140 A C 2.443 180.070 177.584 0.073 0.000 1.181 140 A CA 1.790 53.748 52.037 -0.131 0.000 0.623 140 A CB -1.113 17.774 19.000 -0.189 0.000 0.818 140 A HN 0.565 nan 8.150 nan 0.000 0.443 141 A N -1.041 121.854 122.820 0.124 0.000 1.873 141 A HA -0.156 4.159 4.320 -0.008 0.000 0.215 141 A C 2.313 179.968 177.584 0.119 0.000 1.186 141 A CA 1.635 53.779 52.037 0.178 0.000 0.616 141 A CB -1.275 17.818 19.000 0.155 0.000 0.823 141 A HN 0.591 nan 8.150 nan 0.000 0.442 142 C N -1.404 117.957 119.300 0.102 0.000 2.429 142 C HA -0.069 4.386 4.460 -0.008 0.000 0.277 142 C C 2.436 177.581 174.990 0.258 0.000 1.262 142 C CA 0.624 59.742 59.018 0.167 0.000 1.733 142 C CB -1.613 26.240 27.740 0.188 0.000 2.010 142 C HN 0.606 nan 8.230 nan 0.000 0.483 143 F N 1.175 121.106 119.950 -0.032 0.000 2.134 143 F HA -0.079 4.443 4.527 -0.009 0.000 0.299 143 F C 2.249 177.988 175.800 -0.101 0.000 1.097 143 F CA 1.015 58.943 58.000 -0.120 0.000 1.264 143 F CB -1.419 37.371 39.000 -0.349 0.000 1.001 143 F HN 0.204 nan 8.300 nan 0.000 0.479 144 L N -0.404 120.897 121.223 0.129 0.000 2.046 144 L HA -0.252 4.083 4.340 -0.008 0.000 0.208 144 L C 2.161 179.044 176.870 0.021 0.000 1.077 144 L CA 1.934 56.804 54.840 0.051 0.000 0.747 144 L CB -0.782 41.311 42.059 0.057 0.000 0.896 144 L HN 0.102 nan 8.230 nan 0.000 0.432 145 D N -0.420 120.003 120.400 0.038 0.000 2.097 145 D HA -0.176 4.459 4.640 -0.008 0.000 0.195 145 D C 2.214 178.530 176.300 0.027 0.000 0.989 145 D CA 1.540 55.548 54.000 0.013 0.000 0.827 145 D CB 0.197 41.003 40.800 0.011 0.000 0.966 145 D HN 0.074 nan 8.370 nan 0.000 0.456 146 S N -0.761 114.972 115.700 0.055 0.000 2.383 146 S HA -0.099 4.366 4.470 -0.008 0.000 0.227 146 S C 1.993 176.604 174.600 0.019 0.000 1.026 146 S CA 0.855 59.079 58.200 0.040 0.000 0.981 146 S CB -0.216 63.014 63.200 0.051 0.000 0.818 146 S HN 0.347 nan 8.310 nan 0.000 0.472 147 M N 0.920 120.524 119.600 0.006 0.000 2.159 147 M HA -0.085 4.390 4.480 -0.008 0.000 0.263 147 M C 2.421 178.719 176.300 -0.003 0.000 1.063 147 M CA 1.356 56.655 55.300 -0.002 0.000 1.110 147 M CB -0.494 32.084 32.600 -0.036 0.000 1.374 147 M HN 0.393 nan 8.290 nan 0.000 0.411 148 A N -0.299 122.516 122.820 -0.007 0.000 1.897 148 A HA -0.096 4.219 4.320 -0.008 0.000 0.215 148 A C 2.155 179.751 177.584 0.021 0.000 1.181 148 A CA 1.834 53.870 52.037 -0.001 0.000 0.620 148 A CB -0.967 18.016 19.000 -0.028 0.000 0.821 148 A HN 0.400 nan 8.150 nan 0.000 0.443 149 T N 0.272 114.843 114.554 0.029 0.000 2.915 149 T HA 0.033 4.378 4.350 -0.008 0.000 0.269 149 T C 1.255 175.983 174.700 0.048 0.000 1.071 149 T CA 0.965 63.096 62.100 0.052 0.000 1.132 149 T CB -0.245 68.662 68.868 0.065 0.000 0.878 149 T HN 0.332 nan 8.240 nan 0.000 0.479 150 L N 0.462 121.709 121.223 0.040 0.000 2.653 150 L HA 0.313 4.648 4.340 -0.008 0.000 0.231 150 L C 1.589 178.489 176.870 0.050 0.000 1.153 150 L CA -0.149 54.717 54.840 0.042 0.000 0.933 150 L CB -0.360 41.723 42.059 0.040 0.000 1.175 150 L HN 0.370 nan 8.230 nan 0.000 0.473 151 G N 1.239 110.072 108.800 0.056 0.000 2.283 151 G HA2 -0.289 3.666 3.960 -0.008 0.000 0.280 151 G HA3 -0.289 3.666 3.960 -0.008 0.000 0.280 151 G C 0.102 175.051 174.900 0.082 0.000 1.029 151 G CA 0.120 45.272 45.100 0.087 0.000 0.840 151 G HN 0.294 nan 8.290 nan 0.000 0.505 152 L N -0.234 121.004 121.223 0.025 0.000 2.334 152 L HA 0.612 4.947 4.340 -0.008 0.000 0.277 152 L C 1.200 177.943 176.870 -0.212 0.000 1.075 152 L CA -0.397 54.407 54.840 -0.059 0.000 0.804 152 L CB 1.623 43.658 42.059 -0.039 0.000 1.174 152 L HN 0.250 nan 8.230 nan 0.000 0.438 153 A N 3.042 125.592 122.820 -0.451 0.000 2.981 153 A HA 0.554 4.869 4.320 -0.008 0.000 0.280 153 A C 0.316 177.513 177.584 -0.646 0.000 1.743 153 A CA -0.178 51.290 52.037 -0.949 0.000 1.430 153 A CB -0.661 17.672 19.000 -1.113 0.000 1.085 153 A HN 0.692 nan 8.150 nan 0.000 0.597 154 A N 1.380 123.874 122.820 -0.543 0.000 2.325 154 A HA 0.792 5.107 4.320 -0.008 0.000 0.333 154 A C -1.008 176.259 177.584 -0.528 0.000 1.155 154 A CA -0.433 51.342 52.037 -0.437 0.000 0.814 154 A CB 0.695 19.532 19.000 -0.272 0.000 1.206 154 A HN 0.612 nan 8.150 nan 0.000 0.482 155 Y N 0.174 120.391 120.300 -0.139 0.000 2.406 155 Y HA 0.538 5.084 4.550 -0.008 0.000 0.340 155 Y C 0.788 176.744 175.900 0.093 0.000 0.975 155 Y CA -0.472 57.609 58.100 -0.031 0.000 1.056 155 Y CB 2.454 40.972 38.460 0.095 0.000 1.210 155 Y HN 0.835 nan 8.280 nan 0.000 0.448 156 G N 2.218 111.073 108.800 0.091 0.000 2.322 156 G HA2 0.472 4.427 3.960 -0.008 0.000 0.309 156 G HA3 0.472 4.427 3.960 -0.008 0.000 0.309 156 G C -1.800 173.090 174.900 -0.017 0.000 1.121 156 G CA -0.308 44.887 45.100 0.158 0.000 0.886 156 G HN 0.505 nan 8.290 nan 0.000 0.447 157 Y N 1.101 121.615 120.300 0.356 0.000 2.350 157 Y HA 0.638 5.183 4.550 -0.008 0.000 0.338 157 Y C 0.775 176.960 175.900 0.476 0.000 0.961 157 Y CA 0.202 58.481 58.100 0.300 0.000 1.100 157 Y CB 2.638 41.304 38.460 0.344 0.000 1.179 157 Y HN 0.858 nan 8.280 nan 0.000 0.454 158 G N 2.349 111.454 108.800 0.508 0.000 2.753 158 G HA2 0.608 4.563 3.960 -0.008 0.000 0.303 158 G HA3 0.608 4.563 3.960 -0.008 0.000 0.303 158 G C -1.734 173.400 174.900 0.389 0.000 1.242 158 G CA -0.810 44.624 45.100 0.557 0.000 0.810 158 G HN 0.425 nan 8.290 nan 0.000 0.515 159 I N 0.481 121.178 120.570 0.213 0.000 2.474 159 I HA 0.437 4.602 4.170 -0.008 0.000 0.294 159 I C 0.216 176.238 176.117 -0.158 0.000 1.005 159 I CA -0.733 60.583 61.300 0.028 0.000 1.113 159 I CB 2.311 40.156 38.000 -0.257 0.000 1.289 159 I HN 0.369 nan 8.210 nan 0.000 0.436 160 R N 5.993 126.501 120.500 0.014 0.000 2.608 160 R HA 0.237 4.572 4.340 -0.008 0.000 0.277 160 R C -1.260 175.095 176.300 0.092 0.000 1.341 160 R CA -0.435 55.707 56.100 0.070 0.000 1.199 160 R CB -0.040 30.280 30.300 0.033 0.000 1.156 160 R HN 0.389 nan 8.270 nan 0.000 0.558 161 Y N 1.517 121.980 120.300 0.273 0.000 2.511 161 Y HA -0.081 4.464 4.550 -0.009 0.000 0.332 161 Y C 1.566 177.649 175.900 0.305 0.000 1.177 161 Y CA 0.107 58.359 58.100 0.253 0.000 1.422 161 Y CB 0.808 39.394 38.460 0.210 0.000 1.271 161 Y HN 0.593 nan 8.280 nan 0.000 0.550 162 E N 2.055 122.450 120.200 0.325 0.000 2.152 162 E HA -0.055 4.290 4.350 -0.008 0.000 0.192 162 E C -0.740 175.758 176.600 -0.169 0.000 0.983 162 E CA 0.682 57.081 56.400 -0.003 0.000 0.818 162 E CB 0.190 29.815 29.700 -0.126 0.000 0.758 162 E HN 0.490 nan 8.360 nan 0.000 0.467 163 F N -0.364 119.804 119.950 0.362 0.000 2.477 163 F HA 0.439 4.961 4.527 -0.009 0.000 0.335 163 F C 0.755 176.649 175.800 0.157 0.000 1.130 163 F CA -0.853 57.319 58.000 0.287 0.000 0.948 163 F CB 1.860 40.958 39.000 0.163 0.000 1.154 163 F HN -0.117 nan 8.300 nan 0.000 0.439 164 G N 1.804 110.716 108.800 0.186 0.000 2.531 164 G HA2 0.358 4.313 3.960 -0.008 0.000 0.253 164 G HA3 0.358 4.313 3.960 -0.008 0.000 0.253 164 G C -0.541 174.326 174.900 -0.055 0.000 1.439 164 G CA -0.691 44.370 45.100 -0.066 0.000 1.056 164 G HN 0.549 nan 8.290 nan 0.000 0.555 165 I N 0.966 121.428 120.570 -0.179 0.000 2.752 165 I HA 0.209 4.374 4.170 -0.008 0.000 0.289 165 I C 0.539 176.569 176.117 -0.144 0.000 1.197 165 I CA -1.151 60.016 61.300 -0.222 0.000 1.432 165 I CB -0.312 37.460 38.000 -0.379 0.000 1.359 165 I HN 0.331 nan 8.210 nan 0.000 0.571 166 F N 6.380 126.346 119.950 0.028 0.000 2.589 166 F HA 0.244 4.766 4.527 -0.008 0.000 0.352 166 F C 0.458 176.313 175.800 0.092 0.000 1.168 166 F CA -0.524 57.514 58.000 0.064 0.000 1.353 166 F CB -0.297 38.727 39.000 0.040 0.000 1.116 166 F HN 0.430 nan 8.300 nan 0.000 0.608 167 N N 2.439 121.330 118.700 0.318 0.000 2.458 167 N HA 0.057 4.792 4.740 -0.008 0.000 0.270 167 N C -0.825 174.923 175.510 0.397 0.000 1.102 167 N CA -0.285 52.917 53.050 0.253 0.000 0.967 167 N CB 1.196 39.818 38.487 0.225 0.000 1.078 167 N HN 0.758 nan 8.380 nan 0.000 0.471 168 Q N 2.531 122.535 119.800 0.341 0.000 2.274 168 Q HA 0.165 4.500 4.340 -0.008 0.000 0.256 168 Q C -0.950 175.218 176.000 0.280 0.000 0.927 168 Q CA -0.339 55.700 55.803 0.394 0.000 0.939 168 Q CB 0.662 29.636 28.738 0.392 0.000 1.201 168 Q HN 0.206 nan 8.270 nan 0.000 0.426 169 K N 4.136 124.676 120.400 0.233 0.000 2.259 169 K HA 0.483 4.798 4.320 -0.008 0.000 0.252 169 K C -0.699 175.994 176.600 0.155 0.000 0.936 169 K CA -0.855 55.544 56.287 0.185 0.000 0.810 169 K CB 1.609 34.199 32.500 0.150 0.000 1.143 169 K HN 0.631 nan 8.250 nan 0.000 0.427 170 I N 2.531 123.183 120.570 0.137 0.000 2.330 170 I HA 0.222 4.386 4.170 -0.008 0.000 0.289 170 I C -0.364 175.805 176.117 0.087 0.000 1.001 170 I CA -0.634 60.719 61.300 0.087 0.000 1.193 170 I CB 0.711 38.744 38.000 0.055 0.000 1.345 170 I HN 0.387 nan 8.210 nan 0.000 0.461 171 C N 3.947 123.309 119.300 0.104 0.000 2.322 171 C HA 0.600 5.054 4.460 -0.008 0.000 0.324 171 C C 1.150 176.240 174.990 0.166 0.000 1.249 171 C CA -0.477 58.608 59.018 0.112 0.000 1.453 171 C CB 0.558 28.358 27.740 0.101 0.000 2.145 171 C HN 1.085 nan 8.230 nan 0.000 0.466 172 G N 2.364 111.235 108.800 0.118 0.000 2.225 172 G HA2 0.116 4.071 3.960 -0.008 0.000 0.267 172 G HA3 0.116 4.071 3.960 -0.008 0.000 0.267 172 G C 1.091 176.013 174.900 0.037 0.000 1.024 172 G CA 0.975 46.158 45.100 0.138 0.000 0.784 172 G HN 2.401 nan 8.290 nan 0.000 0.507 173 G N -2.917 105.846 108.800 -0.061 0.000 2.179 173 G HA2 -0.290 3.664 3.960 -0.008 0.000 0.260 173 G HA3 -0.290 3.664 3.960 -0.008 0.000 0.260 173 G C 0.370 175.045 174.900 -0.374 0.000 0.977 173 G CA 0.723 45.667 45.100 -0.260 0.000 0.641 173 G HN 1.227 nan 8.290 nan 0.000 0.533 174 W N 0.702 121.943 121.300 -0.098 0.000 2.516 174 W HA 0.672 5.327 4.660 -0.008 0.000 0.343 174 W C 0.604 177.064 176.519 -0.099 0.000 1.094 174 W CA -0.890 56.390 57.345 -0.107 0.000 1.250 174 W CB 0.807 30.221 29.460 -0.076 0.000 1.308 174 W HN 0.238 nan 8.180 nan 0.000 0.588 175 Q N 2.840 122.734 119.800 0.157 0.000 2.304 175 Q HA 0.278 4.613 4.340 -0.008 0.000 0.260 175 Q C -0.665 175.385 176.000 0.084 0.000 0.965 175 Q CA 0.064 55.925 55.803 0.096 0.000 0.898 175 Q CB 0.581 29.369 28.738 0.082 0.000 1.196 175 Q HN 0.311 nan 8.270 nan 0.000 0.402 176 M N 3.159 122.805 119.600 0.077 0.000 2.393 176 M HA 0.386 4.861 4.480 -0.008 0.000 0.316 176 M C -1.161 175.146 176.300 0.012 0.000 1.087 176 M CA -0.664 54.651 55.300 0.025 0.000 0.937 176 M CB 1.801 34.431 32.600 0.049 0.000 1.668 176 M HN 0.618 nan 8.290 nan 0.000 0.438 177 E N 1.788 121.924 120.200 -0.105 0.000 2.191 177 E HA 0.500 4.844 4.350 -0.008 0.000 0.278 177 E C -0.680 175.910 176.600 -0.017 0.000 0.972 177 E CA -0.576 55.726 56.400 -0.163 0.000 0.804 177 E CB 1.707 31.053 29.700 -0.589 0.000 1.110 177 E HN 0.531 nan 8.360 nan 0.000 0.394 178 E N 0.946 121.217 120.200 0.119 0.000 2.340 178 E HA 0.696 5.041 4.350 -0.008 0.000 0.273 178 E C -1.138 175.560 176.600 0.163 0.000 0.891 178 E CA -1.453 55.010 56.400 0.106 0.000 0.757 178 E CB 1.427 31.198 29.700 0.119 0.000 1.231 178 E HN 0.470 nan 8.360 nan 0.000 0.439 179 A N 2.322 125.202 122.820 0.100 0.000 2.567 179 A HA 0.042 4.357 4.320 -0.008 0.000 0.240 179 A C -0.017 177.754 177.584 0.311 0.000 1.053 179 A CA 0.369 52.489 52.037 0.138 0.000 0.755 179 A CB -0.021 18.953 19.000 -0.045 0.000 0.978 179 A HN 0.688 nan 8.150 nan 0.000 0.507 180 D N 1.752 122.406 120.400 0.423 0.000 2.522 180 D HA 0.193 4.828 4.640 -0.008 0.000 0.218 180 D C -0.386 176.218 176.300 0.507 0.000 1.149 180 D CA -0.214 54.024 54.000 0.396 0.000 0.981 180 D CB 0.233 41.204 40.800 0.285 0.000 1.041 180 D HN 0.403 nan 8.370 nan 0.000 0.518 181 D N 3.322 123.976 120.400 0.423 0.000 2.801 181 D HA -0.033 4.602 4.640 -0.008 0.000 0.232 181 D C 1.250 177.637 176.300 0.146 0.000 1.128 181 D CA -0.534 53.593 54.000 0.211 0.000 1.003 181 D CB -0.194 40.743 40.800 0.229 0.000 1.110 181 D HN 0.522 nan 8.370 nan 0.000 0.477 182 W N 1.804 123.105 121.300 0.002 0.000 2.525 182 W HA -0.057 4.598 4.660 -0.008 0.000 0.259 182 W C 0.072 176.617 176.519 0.044 0.000 1.253 182 W CA 0.160 57.536 57.345 0.051 0.000 1.262 182 W CB -0.736 28.769 29.460 0.074 0.000 1.122 182 W HN 0.204 nan 8.180 nan 0.000 0.607 183 L N 0.907 121.735 121.223 -0.658 0.000 2.607 183 L HA 0.168 4.503 4.340 -0.008 0.000 0.228 183 L C 2.751 179.425 176.870 -0.326 0.000 1.123 183 L CA -0.031 54.405 54.840 -0.674 0.000 0.890 183 L CB -0.634 40.922 42.059 -0.838 0.000 1.103 183 L HN -0.106 nan 8.230 nan 0.000 0.468 184 R N 0.788 121.131 120.500 -0.262 0.000 2.136 184 R HA -0.256 4.079 4.340 -0.008 0.000 0.242 184 R C 1.501 177.596 176.300 -0.341 0.000 1.131 184 R CA 2.298 58.200 56.100 -0.331 0.000 0.937 184 R CB -0.303 29.721 30.300 -0.459 0.000 0.863 184 R HN 0.278 nan 8.270 nan 0.000 0.435 185 Y N -0.357 119.956 120.300 0.021 0.000 2.490 185 Y HA 0.317 4.862 4.550 -0.008 0.000 0.281 185 Y C 0.899 176.796 175.900 -0.005 0.000 1.174 185 Y CA 0.555 58.674 58.100 0.031 0.000 1.295 185 Y CB 0.493 39.073 38.460 0.199 0.000 1.062 185 Y HN 0.500 nan 8.280 nan 0.000 0.522 186 G N 1.120 109.968 108.800 0.080 0.000 2.663 186 G HA2 -0.201 3.754 3.960 -0.008 0.000 0.686 186 G HA3 -0.201 3.754 3.960 -0.008 0.000 0.686 186 G C -1.270 173.716 174.900 0.144 0.000 1.246 186 G CA -0.845 44.279 45.100 0.041 0.000 0.795 186 G HN 0.242 nan 8.290 nan 0.000 0.627 187 N N 1.295 120.022 118.700 0.044 0.000 2.569 187 N HA 0.550 5.285 4.740 -0.008 0.000 0.254 187 N C -0.593 174.920 175.510 0.005 0.000 1.004 187 N CA -1.900 51.184 53.050 0.057 0.000 0.904 187 N CB 2.091 40.547 38.487 -0.052 0.000 1.165 187 N HN 0.267 nan 8.380 nan 0.000 0.513 188 P HA -0.008 nan 4.420 nan 0.000 0.226 188 P C 0.652 177.613 177.300 -0.565 0.000 1.153 188 P CA 0.771 63.554 63.100 -0.529 0.000 0.777 188 P CB 0.143 31.237 31.700 -1.010 0.000 0.794 189 W N 2.013 123.314 121.300 0.003 0.000 2.523 189 W HA 0.037 4.693 4.660 -0.008 0.000 0.278 189 W C 1.370 177.929 176.519 0.066 0.000 1.236 189 W CA -0.255 57.092 57.345 0.003 0.000 1.306 189 W CB -0.418 29.045 29.460 0.005 0.000 1.101 189 W HN 0.023 nan 8.180 nan 0.000 0.577 190 E N 1.717 122.088 120.200 0.285 0.000 2.349 190 E HA 0.328 4.673 4.350 -0.008 0.000 0.262 190 E C -0.560 176.207 176.600 0.279 0.000 1.088 190 E CA -0.681 55.899 56.400 0.299 0.000 0.899 190 E CB 1.196 31.085 29.700 0.314 0.000 1.044 190 E HN -0.324 nan 8.360 nan 0.000 0.420 191 K N 1.235 121.813 120.400 0.296 0.000 2.613 191 K HA 0.420 4.735 4.320 -0.008 0.000 0.248 191 K C -1.316 175.310 176.600 0.043 0.000 0.959 191 K CA -0.446 55.950 56.287 0.182 0.000 0.855 191 K CB 1.642 34.256 32.500 0.189 0.000 1.143 191 K HN 0.677 nan 8.250 nan 0.000 0.437 192 A N 3.984 126.741 122.820 -0.105 0.000 2.462 192 A HA 0.413 4.728 4.320 -0.008 0.000 0.243 192 A C -0.263 177.166 177.584 -0.259 0.000 1.076 192 A CA -0.151 51.585 52.037 -0.502 0.000 0.773 192 A CB 0.241 18.920 19.000 -0.534 0.000 1.010 192 A HN 0.651 nan 8.150 nan 0.000 0.493 193 R N 2.997 123.349 120.500 -0.247 0.000 2.835 193 R HA 0.198 4.533 4.340 -0.008 0.000 0.290 193 R C -2.313 173.970 176.300 -0.029 0.000 1.410 193 R CA -1.716 54.364 56.100 -0.033 0.000 1.590 193 R CB 0.586 31.002 30.300 0.193 0.000 1.288 193 R HN 0.605 nan 8.270 nan 0.000 0.637 194 P HA -0.215 nan 4.420 nan 0.000 0.220 194 P C 0.826 178.078 177.300 -0.080 0.000 1.144 194 P CA 1.248 64.309 63.100 -0.064 0.000 0.800 194 P CB 0.372 32.028 31.700 -0.073 0.000 0.772 195 E N -0.314 119.762 120.200 -0.207 0.000 2.338 195 E HA -0.142 4.203 4.350 -0.008 0.000 0.197 195 E C 0.746 177.079 176.600 -0.445 0.000 1.007 195 E CA 0.877 57.048 56.400 -0.382 0.000 0.849 195 E CB -0.887 28.449 29.700 -0.607 0.000 0.774 195 E HN 0.310 nan 8.360 nan 0.000 0.506 196 F N 1.794 121.759 119.950 0.024 0.000 2.684 196 F HA 0.247 4.769 4.527 -0.008 0.000 0.298 196 F C 0.462 176.357 175.800 0.159 0.000 1.120 196 F CA -0.396 57.651 58.000 0.079 0.000 1.332 196 F CB 0.294 39.337 39.000 0.072 0.000 0.986 196 F HN -0.296 nan 8.300 nan 0.000 0.524 197 T N 2.874 117.565 114.554 0.228 0.000 2.928 197 T HA 0.300 4.645 4.350 -0.008 0.000 0.305 197 T C -0.201 174.597 174.700 0.164 0.000 1.035 197 T CA 0.377 62.611 62.100 0.223 0.000 1.145 197 T CB 0.564 69.511 68.868 0.132 0.000 0.963 197 T HN -0.163 nan 8.240 nan 0.000 0.545 198 L N 5.741 127.032 121.223 0.113 0.000 2.354 198 L HA 0.575 4.910 4.340 -0.008 0.000 0.264 198 L C -2.196 174.623 176.870 -0.085 0.000 1.008 198 L CA -2.441 52.390 54.840 -0.015 0.000 0.819 198 L CB 1.908 43.895 42.059 -0.120 0.000 1.339 198 L HN 0.384 nan 8.230 nan 0.000 0.420 199 P HA 0.375 nan 4.420 nan 0.000 0.288 199 P C -1.260 175.880 177.300 -0.268 0.000 1.267 199 P CA -0.400 62.600 63.100 -0.167 0.000 0.815 199 P CB 1.964 33.562 31.700 -0.169 0.000 0.989 200 V N 3.917 123.662 119.914 -0.282 0.000 2.604 200 V HA 0.321 4.436 4.120 -0.008 0.000 0.305 200 V C 0.191 176.043 176.094 -0.403 0.000 1.043 200 V CA -0.625 61.498 62.300 -0.295 0.000 0.888 200 V CB 1.515 33.248 31.823 -0.151 0.000 0.995 200 V HN 0.612 nan 8.190 nan 0.000 0.429 201 H N 3.827 122.745 119.070 -0.253 0.000 2.479 201 H HA 0.634 5.185 4.556 -0.009 0.000 0.335 201 H C -1.280 173.762 175.328 -0.478 0.000 1.142 201 H CA -0.152 55.662 56.048 -0.390 0.000 1.234 201 H CB 1.873 31.137 29.762 -0.830 0.000 1.503 201 H HN 0.475 nan 8.280 nan 0.000 0.510 202 F N 0.162 120.160 119.950 0.081 0.000 2.613 202 F HA 0.207 4.729 4.527 -0.009 0.000 0.314 202 F C -0.291 175.615 175.800 0.175 0.000 1.075 202 F CA -0.563 57.489 58.000 0.085 0.000 0.945 202 F CB 1.070 40.029 39.000 -0.069 0.000 1.310 202 F HN 0.538 nan 8.300 nan 0.000 0.467 203 Y N 0.237 120.836 120.300 0.499 0.000 2.904 203 Y HA -0.002 4.543 4.550 -0.008 0.000 0.466 203 Y C 1.353 177.512 175.900 0.432 0.000 1.202 203 Y CA 0.694 59.011 58.100 0.361 0.000 2.492 203 Y CB -1.892 36.712 38.460 0.240 0.000 1.237 203 Y HN 1.322 nan 8.280 nan 0.000 0.633 204 G N 0.654 109.738 108.800 0.473 0.000 2.593 204 G HA2 0.105 4.060 3.960 -0.008 0.000 0.237 204 G HA3 0.105 4.060 3.960 -0.008 0.000 0.237 204 G C -0.573 174.542 174.900 0.358 0.000 1.312 204 G CA 0.858 46.159 45.100 0.335 0.000 0.896 204 G HN 1.354 nan 8.290 nan 0.000 0.574 205 R N -2.496 118.207 120.500 0.338 0.000 2.734 205 R HA 0.710 5.045 4.340 -0.008 0.000 0.271 205 R C -1.306 175.120 176.300 0.210 0.000 1.021 205 R CA -1.003 55.233 56.100 0.227 0.000 0.893 205 R CB 1.351 31.733 30.300 0.136 0.000 1.244 205 R HN 0.852 nan 8.270 nan 0.000 0.464 206 V N 0.821 120.771 119.914 0.060 0.000 2.427 206 V HA 0.344 4.459 4.120 -0.008 0.000 0.286 206 V C -0.177 175.829 176.094 -0.146 0.000 1.034 206 V CA -0.451 61.807 62.300 -0.069 0.000 0.893 206 V CB 1.313 33.020 31.823 -0.194 0.000 0.982 206 V HN 0.736 nan 8.190 nan 0.000 0.452 207 E N 2.890 122.986 120.200 -0.172 0.000 2.176 207 E HA 0.382 4.727 4.350 -0.008 0.000 0.267 207 E C -1.107 175.355 176.600 -0.230 0.000 0.893 207 E CA -0.723 55.595 56.400 -0.136 0.000 0.761 207 E CB 0.838 30.519 29.700 -0.031 0.000 1.133 207 E HN 0.711 nan 8.360 nan 0.000 0.409 208 H N 3.012 122.097 119.070 0.025 0.000 2.597 208 H HA 0.186 4.737 4.556 -0.009 0.000 0.303 208 H C 0.196 175.533 175.328 0.015 0.000 1.057 208 H CA -0.188 55.870 56.048 0.016 0.000 1.261 208 H CB 0.992 30.759 29.762 0.008 0.000 1.397 208 H HN 0.560 nan 8.280 nan 0.000 0.461 209 T N -0.644 113.976 114.554 0.110 0.000 2.893 209 T HA 0.200 4.545 4.350 -0.008 0.000 0.279 209 T C 1.562 176.301 174.700 0.064 0.000 0.991 209 T CA -0.666 61.476 62.100 0.070 0.000 0.950 209 T CB 1.053 69.947 68.868 0.043 0.000 1.223 209 T HN 0.331 nan 8.240 nan 0.000 0.585 210 S N 0.129 115.855 115.700 0.043 0.000 2.372 210 S HA -0.120 4.345 4.470 -0.008 0.000 0.227 210 S C 0.913 175.534 174.600 0.035 0.000 1.044 210 S CA 1.401 59.621 58.200 0.033 0.000 1.050 210 S CB -0.443 62.773 63.200 0.025 0.000 0.901 210 S HN 0.727 nan 8.310 nan 0.000 0.447 211 Q N 0.062 119.884 119.800 0.037 0.000 2.508 211 Q HA 0.552 4.887 4.340 -0.008 0.000 0.247 211 Q C -0.011 176.016 176.000 0.044 0.000 1.047 211 Q CA 0.375 56.200 55.803 0.037 0.000 0.783 211 Q CB 0.815 29.570 28.738 0.029 0.000 1.172 211 Q HN 0.467 nan 8.270 nan 0.000 0.515 212 G N 1.387 110.223 108.800 0.059 0.000 2.758 212 G HA2 0.106 4.061 3.960 -0.008 0.000 0.686 212 G HA3 0.106 4.061 3.960 -0.008 0.000 0.686 212 G C -0.677 174.274 174.900 0.084 0.000 1.389 212 G CA -0.595 44.547 45.100 0.071 0.000 0.845 212 G HN 0.798 nan 8.290 nan 0.000 0.572 213 A N 0.751 123.621 122.820 0.083 0.000 2.286 213 A HA 0.830 5.145 4.320 -0.008 0.000 0.286 213 A C 0.436 178.003 177.584 -0.030 0.000 1.097 213 A CA 0.052 52.088 52.037 -0.002 0.000 0.821 213 A CB 0.866 19.841 19.000 -0.042 0.000 1.076 213 A HN 0.843 nan 8.150 nan 0.000 0.490 214 K N 0.442 120.806 120.400 -0.060 0.000 2.427 214 K HA 0.229 4.544 4.320 -0.008 0.000 0.252 214 K C -1.842 174.799 176.600 0.067 0.000 0.931 214 K CA -0.371 55.920 56.287 0.005 0.000 0.793 214 K CB 2.198 34.700 32.500 0.003 0.000 1.211 214 K HN 0.706 nan 8.250 nan 0.000 0.426 215 W N 5.340 126.564 121.300 -0.127 0.000 2.308 215 W HA 0.355 5.010 4.660 -0.009 0.000 0.311 215 W C -0.686 175.771 176.519 -0.103 0.000 1.088 215 W CA -0.802 56.472 57.345 -0.118 0.000 1.309 215 W CB 0.183 29.563 29.460 -0.134 0.000 1.229 215 W HN 0.348 nan 8.180 nan 0.000 0.427 216 V N 2.699 122.678 119.914 0.108 0.000 3.158 216 V HA 0.596 4.711 4.120 -0.008 0.000 0.315 216 V C 0.034 176.114 176.094 -0.023 0.000 1.148 216 V CA -0.888 61.392 62.300 -0.033 0.000 1.042 216 V CB 1.943 33.770 31.823 0.008 0.000 1.101 216 V HN 0.478 nan 8.190 nan 0.000 0.448 217 D N 0.399 120.783 120.400 -0.027 0.000 2.772 217 D HA -0.143 4.492 4.640 -0.008 0.000 0.233 217 D C 0.541 176.855 176.300 0.023 0.000 1.143 217 D CA 1.453 55.461 54.000 0.013 0.000 0.700 217 D CB -1.360 39.468 40.800 0.047 0.000 1.076 217 D HN 1.251 nan 8.370 nan 0.000 0.430 218 T N -2.758 111.763 114.554 -0.055 0.000 2.902 218 T HA 0.497 4.842 4.350 -0.008 0.000 0.280 218 T C 0.419 175.186 174.700 0.113 0.000 0.992 218 T CA -0.739 61.348 62.100 -0.021 0.000 1.015 218 T CB 2.229 70.900 68.868 -0.329 0.000 1.044 218 T HN 0.015 nan 8.240 nan 0.000 0.520 219 Q N 0.611 120.549 119.800 0.232 0.000 2.243 219 Q HA 0.576 4.911 4.340 -0.008 0.000 0.252 219 Q C -0.949 175.195 176.000 0.240 0.000 0.909 219 Q CA -0.882 55.086 55.803 0.275 0.000 0.922 219 Q CB 1.900 30.881 28.738 0.406 0.000 1.215 219 Q HN 0.507 nan 8.270 nan 0.000 0.427 220 V N 2.910 122.929 119.914 0.174 0.000 2.483 220 V HA 0.441 4.556 4.120 -0.008 0.000 0.295 220 V C -0.375 175.785 176.094 0.110 0.000 1.035 220 V CA -0.655 61.668 62.300 0.039 0.000 0.896 220 V CB 1.815 33.601 31.823 -0.060 0.000 0.986 220 V HN 0.487 nan 8.190 nan 0.000 0.447 221 V N 5.814 125.798 119.914 0.117 0.000 2.588 221 V HA 0.477 4.592 4.120 -0.008 0.000 0.304 221 V C -0.206 175.969 176.094 0.133 0.000 1.042 221 V CA -0.600 61.778 62.300 0.130 0.000 0.877 221 V CB 1.941 33.917 31.823 0.254 0.000 0.996 221 V HN 0.640 nan 8.190 nan 0.000 0.425 222 L N 3.595 124.884 121.223 0.111 0.000 2.375 222 L HA 0.726 5.061 4.340 -0.008 0.000 0.271 222 L C 0.491 177.526 176.870 0.276 0.000 1.107 222 L CA -0.304 54.613 54.840 0.128 0.000 0.806 222 L CB 1.304 43.420 42.059 0.094 0.000 1.146 222 L HN 0.757 nan 8.230 nan 0.000 0.447 223 A N 5.080 128.017 122.820 0.195 0.000 2.267 223 A HA 0.565 4.880 4.320 -0.008 0.000 0.315 223 A C -0.482 177.370 177.584 0.448 0.000 1.297 223 A CA -0.463 51.726 52.037 0.254 0.000 0.865 223 A CB 0.861 19.578 19.000 -0.472 0.000 1.165 223 A HN 0.778 nan 8.150 nan 0.000 0.513 224 M N 6.201 126.118 119.600 0.529 0.000 2.129 224 M HA 0.445 4.920 4.480 -0.008 0.000 0.348 224 M C -2.587 173.977 176.300 0.441 0.000 1.116 224 M CA -2.135 53.419 55.300 0.424 0.000 1.022 224 M CB 2.078 34.852 32.600 0.290 0.000 1.599 224 M HN 0.381 nan 8.290 nan 0.000 0.449 225 P HA 0.252 nan 4.420 nan 0.000 0.286 225 P C -1.968 175.253 177.300 -0.132 0.000 1.261 225 P CA -0.117 62.888 63.100 -0.157 0.000 0.821 225 P CB 0.740 32.116 31.700 -0.541 0.000 1.013 226 Y N 0.545 120.776 120.300 -0.116 0.000 2.338 226 Y HA 0.316 4.861 4.550 -0.009 0.000 0.333 226 Y C 0.149 176.029 175.900 -0.033 0.000 0.968 226 Y CA -0.292 57.800 58.100 -0.014 0.000 1.123 226 Y CB 1.438 39.922 38.460 0.040 0.000 1.165 226 Y HN 0.217 nan 8.280 nan 0.000 0.452 227 D N 1.944 122.437 120.400 0.155 0.000 2.193 227 D HA 0.424 5.059 4.640 -0.008 0.000 0.244 227 D C -0.602 175.912 176.300 0.357 0.000 1.064 227 D CA -0.207 53.922 54.000 0.215 0.000 0.845 227 D CB 1.784 42.734 40.800 0.249 0.000 1.148 227 D HN 0.367 nan 8.370 nan 0.000 0.464 228 T N 3.186 117.863 114.554 0.205 0.000 2.824 228 T HA 0.464 4.809 4.350 -0.008 0.000 0.282 228 T C -2.524 172.030 174.700 -0.243 0.000 0.993 228 T CA -1.438 60.693 62.100 0.051 0.000 0.967 228 T CB 2.098 70.987 68.868 0.037 0.000 0.960 228 T HN 0.182 nan 8.240 nan 0.000 0.441 229 P HA 0.318 nan 4.420 nan 0.000 0.275 229 P C -1.024 175.947 177.300 -0.548 0.000 1.227 229 P CA -0.393 62.040 63.100 -1.112 0.000 0.781 229 P CB 0.902 31.688 31.700 -1.523 0.000 0.906 230 V N 5.136 124.785 119.914 -0.442 0.000 2.340 230 V HA 0.257 4.372 4.120 -0.008 0.000 0.277 230 V C -2.011 173.948 176.094 -0.225 0.000 1.017 230 V CA -1.890 60.248 62.300 -0.270 0.000 0.820 230 V CB 1.362 33.072 31.823 -0.187 0.000 1.028 230 V HN 0.558 nan 8.190 nan 0.000 0.436 231 P HA 0.269 nan 4.420 nan 0.000 0.280 231 P C 0.325 177.574 177.300 -0.085 0.000 1.244 231 P CA 0.305 63.316 63.100 -0.148 0.000 0.784 231 P CB 1.768 33.379 31.700 -0.150 0.000 0.913 232 G N 2.157 110.924 108.800 -0.054 0.000 2.562 232 G HA2 0.162 4.117 3.960 -0.008 0.000 0.275 232 G HA3 0.162 4.117 3.960 -0.008 0.000 0.275 232 G C -1.215 173.698 174.900 0.021 0.000 1.196 232 G CA -0.621 44.476 45.100 -0.004 0.000 0.908 232 G HN 0.524 nan 8.290 nan 0.000 0.524 233 Y N 0.515 120.778 120.300 -0.063 0.000 2.584 233 Y HA 0.275 4.819 4.550 -0.009 0.000 0.351 233 Y C 1.218 177.082 175.900 -0.061 0.000 1.030 233 Y CA -0.238 57.821 58.100 -0.069 0.000 1.332 233 Y CB 0.133 38.551 38.460 -0.070 0.000 1.148 233 Y HN 0.703 nan 8.280 nan 0.000 0.528 234 R N 2.773 122.972 120.500 -0.501 0.000 3.610 234 R HA -0.319 4.016 4.340 -0.008 0.000 0.274 234 R C 0.005 176.173 176.300 -0.219 0.000 1.123 234 R CA 1.490 57.329 56.100 -0.435 0.000 0.747 234 R CB -1.900 27.989 30.300 -0.685 0.000 1.149 234 R HN 0.942 nan 8.270 nan 0.000 0.471 235 N N -1.315 117.306 118.700 -0.131 0.000 2.177 235 N HA 0.069 4.804 4.740 -0.008 0.000 0.218 235 N C -0.244 175.222 175.510 -0.074 0.000 1.182 235 N CA -0.381 52.622 53.050 -0.077 0.000 0.882 235 N CB 0.514 38.981 38.487 -0.033 0.000 1.052 235 N HN 0.084 nan 8.380 nan 0.000 0.519 236 N N -0.116 118.535 118.700 -0.082 0.000 2.753 236 N HA -0.134 4.601 4.740 -0.008 0.000 0.251 236 N C -0.952 174.519 175.510 -0.065 0.000 1.097 236 N CA 0.582 53.590 53.050 -0.069 0.000 0.786 236 N CB -1.258 37.189 38.487 -0.067 0.000 1.137 236 N HN 0.191 nan 8.380 nan 0.000 0.566 237 V N 1.090 120.969 119.914 -0.058 0.000 2.481 237 V HA 0.467 4.582 4.120 -0.008 0.000 0.286 237 V C 0.580 176.646 176.094 -0.047 0.000 1.042 237 V CA -0.496 61.776 62.300 -0.045 0.000 0.928 237 V CB 2.218 34.038 31.823 -0.004 0.000 0.986 237 V HN -0.041 nan 8.190 nan 0.000 0.462 238 V N 5.282 125.174 119.914 -0.037 0.000 2.462 238 V HA 0.424 4.539 4.120 -0.008 0.000 0.288 238 V C -0.133 175.952 176.094 -0.016 0.000 1.020 238 V CA -0.858 61.392 62.300 -0.084 0.000 0.857 238 V CB 1.429 33.182 31.823 -0.117 0.000 1.013 238 V HN 0.845 nan 8.190 nan 0.000 0.431 239 N N 1.957 120.621 118.700 -0.061 0.000 2.418 239 N HA 0.576 5.311 4.740 -0.008 0.000 0.283 239 N C -0.015 175.477 175.510 -0.030 0.000 1.267 239 N CA -0.273 52.764 53.050 -0.023 0.000 0.975 239 N CB 1.161 39.590 38.487 -0.097 0.000 1.167 239 N HN 0.578 nan 8.380 nan 0.000 0.581 240 T N 0.648 115.197 114.554 -0.007 0.000 2.863 240 T HA 0.445 4.790 4.350 -0.008 0.000 0.285 240 T C -0.337 174.330 174.700 -0.055 0.000 1.009 240 T CA -0.534 61.623 62.100 0.095 0.000 0.989 240 T CB 1.295 70.352 68.868 0.316 0.000 1.004 240 T HN 0.323 nan 8.240 nan 0.000 0.455 241 M N 3.473 123.007 119.600 -0.110 0.000 2.125 241 M HA 0.524 4.999 4.480 -0.008 0.000 0.321 241 M C -0.684 175.465 176.300 -0.252 0.000 0.983 241 M CA -0.749 54.393 55.300 -0.263 0.000 0.934 241 M CB 0.928 33.327 32.600 -0.336 0.000 1.542 241 M HN 0.503 nan 8.290 nan 0.000 0.424 242 R N 5.906 126.151 120.500 -0.424 0.000 2.265 242 R HA 0.633 4.968 4.340 -0.008 0.000 0.328 242 R C -1.948 174.080 176.300 -0.454 0.000 0.969 242 R CA -0.432 55.382 56.100 -0.478 0.000 0.832 242 R CB 0.912 30.764 30.300 -0.747 0.000 1.139 242 R HN 0.817 nan 8.270 nan 0.000 0.457 243 L N 5.085 126.138 121.223 -0.283 0.000 2.322 243 L HA 0.499 4.834 4.340 -0.008 0.000 0.281 243 L C -0.784 176.032 176.870 -0.090 0.000 1.014 243 L CA -0.939 53.826 54.840 -0.124 0.000 0.815 243 L CB 1.428 43.502 42.059 0.025 0.000 1.247 243 L HN 0.586 nan 8.230 nan 0.000 0.421 244 W N 1.807 123.228 121.300 0.202 0.000 2.316 244 W HA 0.478 5.133 4.660 -0.008 0.000 0.321 244 W C 0.559 177.302 176.519 0.374 0.000 1.203 244 W CA -0.179 57.308 57.345 0.236 0.000 1.214 244 W CB 1.390 30.848 29.460 -0.003 0.000 1.169 244 W HN 0.343 nan 8.180 nan 0.000 0.561 245 S N 1.743 117.851 115.700 0.680 0.000 2.500 245 S HA 0.772 5.237 4.470 -0.008 0.000 0.301 245 S C -0.511 174.424 174.600 0.559 0.000 1.092 245 S CA -0.730 57.771 58.200 0.502 0.000 1.030 245 S CB 0.648 64.087 63.200 0.400 0.000 1.031 245 S HN 0.544 nan 8.310 nan 0.000 0.483 246 A N 4.791 127.780 122.820 0.281 0.000 2.366 246 A HA 0.664 4.979 4.320 -0.008 0.000 0.272 246 A C -0.135 177.506 177.584 0.094 0.000 1.135 246 A CA -0.270 51.828 52.037 0.101 0.000 0.804 246 A CB 0.356 19.141 19.000 -0.358 0.000 1.064 246 A HN 0.658 nan 8.150 nan 0.000 0.499 247 K N 1.042 121.506 120.400 0.107 0.000 2.468 247 K HA 0.609 4.924 4.320 -0.008 0.000 0.252 247 K C -0.545 176.029 176.600 -0.044 0.000 0.932 247 K CA -0.404 55.908 56.287 0.043 0.000 0.794 247 K CB 2.259 34.818 32.500 0.100 0.000 1.241 247 K HN 0.840 nan 8.250 nan 0.000 0.428 248 A N 4.197 126.930 122.820 -0.144 0.000 2.340 248 A HA 0.516 4.831 4.320 -0.008 0.000 0.268 248 A C -2.128 175.396 177.584 -0.098 0.000 1.100 248 A CA -1.123 50.734 52.037 -0.300 0.000 0.803 248 A CB -0.161 18.492 19.000 -0.577 0.000 1.043 248 A HN 0.370 nan 8.150 nan 0.000 0.488 249 P HA 0.103 nan 4.420 nan 0.000 0.274 249 P C 0.022 177.394 177.300 0.120 0.000 1.237 249 P CA -0.444 62.699 63.100 0.073 0.000 0.793 249 P CB 0.629 32.397 31.700 0.112 0.000 0.977 250 N N 0.966 119.726 118.700 0.099 0.000 2.453 250 N HA -0.109 4.626 4.740 -0.008 0.000 0.183 250 N C 0.866 176.454 175.510 0.129 0.000 1.041 250 N CA 1.043 54.156 53.050 0.106 0.000 0.900 250 N CB -0.283 38.250 38.487 0.078 0.000 0.961 250 N HN 0.590 nan 8.380 nan 0.000 0.443 251 D N -0.736 119.745 120.400 0.134 0.000 2.340 251 D HA -0.072 4.563 4.640 -0.008 0.000 0.217 251 D C 0.215 176.597 176.300 0.136 0.000 1.081 251 D CA -0.577 53.492 54.000 0.114 0.000 0.842 251 D CB -0.773 40.077 40.800 0.083 0.000 0.934 251 D HN -0.025 nan 8.370 nan 0.000 0.511 252 F N 2.343 122.309 119.950 0.028 0.000 2.602 252 F HA 0.033 4.555 4.527 -0.008 0.000 0.385 252 F C 0.746 176.554 175.800 0.013 0.000 1.063 252 F CA 0.247 58.260 58.000 0.022 0.000 1.233 252 F CB -0.073 38.940 39.000 0.020 0.000 1.067 252 F HN -0.132 nan 8.300 nan 0.000 0.564 253 N N 2.501 120.840 118.700 -0.602 0.000 2.732 253 N HA -0.270 4.465 4.740 -0.008 0.000 0.250 253 N C -0.927 174.485 175.510 -0.163 0.000 1.097 253 N CA 1.447 54.230 53.050 -0.444 0.000 0.812 253 N CB -1.205 36.997 38.487 -0.474 0.000 1.148 253 N HN 0.533 nan 8.380 nan 0.000 0.572 262 Y N 0.753 121.053 120.300 -0.001 0.000 2.081 262 Y HA -0.134 4.411 4.550 -0.008 0.000 0.280 262 Y C 2.742 178.649 175.900 0.012 0.000 1.163 262 Y CA 2.446 60.548 58.100 0.005 0.000 1.135 262 Y CB -0.123 38.341 38.460 0.007 0.000 0.970 262 Y HN 0.244 nan 8.280 nan 0.000 0.498 263 I N 0.527 121.022 120.570 -0.126 0.000 2.151 263 I HA -0.339 3.826 4.170 -0.008 0.000 0.243 263 I C 2.416 178.424 176.117 -0.182 0.000 1.080 263 I CA 1.614 62.789 61.300 -0.208 0.000 1.339 263 I CB -1.473 36.518 38.000 -0.015 0.000 1.039 263 I HN 0.399 nan 8.210 nan 0.000 0.409 264 Q N 0.424 120.168 119.800 -0.093 0.000 2.096 264 Q HA -0.148 4.187 4.340 -0.008 0.000 0.204 264 Q C 2.392 178.345 176.000 -0.078 0.000 0.982 264 Q CA 1.922 57.686 55.803 -0.064 0.000 0.850 264 Q CB -0.376 28.341 28.738 -0.034 0.000 0.901 264 Q HN 0.566 nan 8.270 nan 0.000 0.422 265 A N 0.055 122.809 122.820 -0.110 0.000 1.908 265 A HA -0.146 4.169 4.320 -0.008 0.000 0.218 265 A C 2.413 179.953 177.584 -0.074 0.000 1.181 265 A CA 1.713 53.691 52.037 -0.099 0.000 0.627 265 A CB -0.665 18.275 19.000 -0.099 0.000 0.818 265 A HN 0.229 nan 8.150 nan 0.000 0.445 266 V N 0.118 119.918 119.914 -0.190 0.000 2.358 266 V HA -0.227 3.887 4.120 -0.008 0.000 0.246 266 V C 2.527 178.595 176.094 -0.044 0.000 1.047 266 V CA 1.836 64.051 62.300 -0.143 0.000 1.035 266 V CB -0.754 30.887 31.823 -0.304 0.000 0.658 266 V HN 0.568 nan 8.190 nan 0.000 0.452 267 L N -0.175 121.014 121.223 -0.057 0.000 2.131 267 L HA -0.157 4.178 4.340 -0.008 0.000 0.210 267 L C 2.017 178.906 176.870 0.033 0.000 1.092 267 L CA 1.257 56.090 54.840 -0.013 0.000 0.759 267 L CB -0.688 41.359 42.059 -0.021 0.000 0.903 267 L HN 0.330 nan 8.230 nan 0.000 0.435 268 D N 0.001 120.437 120.400 0.059 0.000 2.378 268 D HA -0.078 4.556 4.640 -0.008 0.000 0.227 268 D C 2.111 178.575 176.300 0.273 0.000 1.012 268 D CA 0.459 54.538 54.000 0.132 0.000 0.905 268 D CB -0.017 40.843 40.800 0.101 0.000 0.895 268 D HN 0.232 nan 8.370 nan 0.000 0.532 269 R N 0.228 120.859 120.500 0.219 0.000 2.152 269 R HA -0.055 4.280 4.340 -0.008 0.000 0.232 269 R C 1.703 177.975 176.300 -0.046 0.000 1.117 269 R CA 0.826 56.981 56.100 0.091 0.000 0.981 269 R CB -0.232 30.090 30.300 0.036 0.000 0.870 269 R HN 0.346 nan 8.270 nan 0.000 0.451 270 N N 0.309 119.021 118.700 0.020 0.000 2.149 270 N HA -0.187 4.548 4.740 -0.008 0.000 0.188 270 N C 1.281 176.788 175.510 -0.006 0.000 1.019 270 N CA 0.741 53.793 53.050 0.004 0.000 0.857 270 N CB -0.098 38.403 38.487 0.024 0.000 0.997 270 N HN 0.011 nan 8.380 nan 0.000 0.426 271 L N 1.171 122.416 121.223 0.036 0.000 2.013 271 L HA -0.203 4.132 4.340 -0.008 0.000 0.212 271 L C 2.437 179.288 176.870 -0.032 0.000 1.073 271 L CA 1.630 56.495 54.840 0.042 0.000 0.753 271 L CB -0.999 41.140 42.059 0.134 0.000 0.890 271 L HN 0.177 nan 8.230 nan 0.000 0.432 272 A N -1.000 121.738 122.820 -0.136 0.000 1.897 272 A HA -0.150 4.165 4.320 -0.008 0.000 0.215 272 A C 2.102 179.559 177.584 -0.211 0.000 1.181 272 A CA 1.269 53.159 52.037 -0.245 0.000 0.620 272 A CB -0.443 18.217 19.000 -0.566 0.000 0.821 272 A HN 0.537 nan 8.150 nan 0.000 0.443 273 E N 0.210 120.308 120.200 -0.171 0.000 2.482 273 E HA -0.083 4.262 4.350 -0.008 0.000 0.196 273 E C 0.910 177.468 176.600 -0.069 0.000 1.047 273 E CA 0.248 56.581 56.400 -0.112 0.000 0.869 273 E CB -0.176 29.485 29.700 -0.065 0.000 0.836 273 E HN 0.451 nan 8.360 nan 0.000 0.520 274 N N 1.078 119.745 118.700 -0.056 0.000 2.453 274 N HA -0.074 4.661 4.740 -0.008 0.000 0.183 274 N C 1.619 177.122 175.510 -0.013 0.000 1.041 274 N CA 0.560 53.606 53.050 -0.006 0.000 0.900 274 N CB -0.034 38.456 38.487 0.004 0.000 0.961 274 N HN 0.273 nan 8.380 nan 0.000 0.443 275 I N 0.364 120.865 120.570 -0.116 0.000 2.194 275 I HA -0.254 3.911 4.170 -0.008 0.000 0.246 275 I C 1.419 177.498 176.117 -0.064 0.000 1.093 275 I CA 1.280 62.482 61.300 -0.163 0.000 1.355 275 I CB -0.224 37.504 38.000 -0.454 0.000 1.046 275 I HN 0.132 nan 8.210 nan 0.000 0.413 276 S N -0.449 115.208 115.700 -0.073 0.000 2.583 276 S HA 0.180 4.644 4.470 -0.008 0.000 0.239 276 S C 1.465 176.197 174.600 0.220 0.000 0.966 276 S CA -0.524 57.724 58.200 0.080 0.000 0.973 276 S CB 0.254 63.488 63.200 0.056 0.000 0.794 276 S HN 0.210 nan 8.310 nan 0.000 0.463 277 R N 1.284 121.916 120.500 0.219 0.000 2.062 277 R HA 0.275 4.610 4.340 -0.008 0.000 0.229 277 R C 0.446 177.005 176.300 0.432 0.000 1.128 277 R CA 1.172 57.449 56.100 0.296 0.000 0.960 277 R CB -0.244 30.188 30.300 0.220 0.000 0.855 277 R HN 0.404 nan 8.270 nan 0.000 0.432 278 V N 0.072 120.194 119.914 0.346 0.000 3.012 278 V HA 0.371 4.486 4.120 -0.008 0.000 0.307 278 V C -1.651 174.427 176.094 -0.027 0.000 1.166 278 V CA -1.382 61.053 62.300 0.225 0.000 0.974 278 V CB 1.807 33.681 31.823 0.085 0.000 1.040 278 V HN 0.144 nan 8.190 nan 0.000 0.428 279 L N 6.077 127.065 121.223 -0.392 0.000 2.367 279 L HA 0.504 4.839 4.340 -0.008 0.000 0.275 279 L C -0.920 175.797 176.870 -0.255 0.000 1.129 279 L CA 0.388 54.792 54.840 -0.727 0.000 0.839 279 L CB 0.633 42.171 42.059 -0.869 0.000 1.133 279 L HN 0.682 nan 8.230 nan 0.000 0.453 280 Y N 6.686 126.904 120.300 -0.136 0.000 2.496 280 Y HA 0.216 4.761 4.550 -0.009 0.000 0.334 280 Y C -1.399 174.498 175.900 -0.005 0.000 1.080 280 Y CA -1.340 56.753 58.100 -0.012 0.000 1.355 280 Y CB 0.406 38.885 38.460 0.032 0.000 1.193 280 Y HN 0.562 nan 8.280 nan 0.000 0.523 281 P HA -0.003 nan 4.420 nan 0.000 0.249 281 P C -0.866 176.567 177.300 0.223 0.000 1.593 281 P CA 0.205 63.411 63.100 0.176 0.000 0.896 281 P CB 0.067 31.963 31.700 0.327 0.000 1.581 282 N N 1.170 120.010 118.700 0.234 0.000 2.456 282 N HA 0.197 4.932 4.740 -0.008 0.000 0.288 282 N C -0.761 174.901 175.510 0.252 0.000 1.059 282 N CA -0.022 53.193 53.050 0.275 0.000 0.946 282 N CB 1.350 40.052 38.487 0.358 0.000 1.150 282 N HN 0.055 nan 8.380 nan 0.000 0.479 283 D N 0.650 121.225 120.400 0.292 0.000 2.344 283 D HA 0.217 4.852 4.640 -0.008 0.000 0.239 283 D C -0.367 176.155 176.300 0.370 0.000 1.064 283 D CA -0.321 53.849 54.000 0.284 0.000 0.829 283 D CB 0.321 41.284 40.800 0.271 0.000 1.129 283 D HN 0.310 nan 8.370 nan 0.000 0.506 284 N N 3.015 121.894 118.700 0.299 0.000 2.714 284 N HA -0.255 4.480 4.740 -0.008 0.000 0.253 284 N C -1.361 174.392 175.510 0.404 0.000 1.024 284 N CA 0.753 53.969 53.050 0.278 0.000 0.726 284 N CB -0.795 37.809 38.487 0.195 0.000 0.908 284 N HN 0.371 nan 8.380 nan 0.000 0.542 285 F N 0.643 120.702 119.950 0.182 0.000 2.623 285 F HA 0.402 4.924 4.527 -0.009 0.000 0.323 285 F C -1.289 174.601 175.800 0.150 0.000 1.158 285 F CA -1.103 56.983 58.000 0.142 0.000 1.030 285 F CB 0.892 39.939 39.000 0.079 0.000 1.280 285 F HN -0.005 nan 8.300 nan 0.000 0.474 286 F N 5.934 125.447 119.950 -0.729 0.000 2.411 286 F HA 0.468 4.990 4.527 -0.009 0.000 0.350 286 F C -0.403 174.937 175.800 -0.766 0.000 1.114 286 F CA -0.168 57.470 58.000 -0.603 0.000 1.135 286 F CB 0.748 39.445 39.000 -0.505 0.000 1.120 286 F HN 0.605 nan 8.300 nan 0.000 0.495 287 E N 4.453 124.035 120.200 -1.030 0.000 2.186 287 E HA 0.294 4.639 4.350 -0.008 0.000 0.255 287 E C -0.189 175.684 176.600 -1.211 0.000 0.881 287 E CA -0.725 55.163 56.400 -0.852 0.000 0.752 287 E CB 1.235 30.808 29.700 -0.211 0.000 1.176 287 E HN 0.904 nan 8.360 nan 0.000 0.421 288 G N 5.307 113.263 108.800 -1.406 0.000 3.197 288 G HA2 0.027 3.982 3.960 -0.008 0.000 0.257 288 G HA3 0.027 3.982 3.960 -0.008 0.000 0.257 288 G C -0.055 174.739 174.900 -0.177 0.000 0.835 288 G CA -0.196 44.278 45.100 -1.042 0.000 2.001 288 G HN 0.200 nan 8.290 nan 0.000 0.625 289 K N 0.444 120.820 120.400 -0.040 0.000 2.110 289 K HA 0.191 4.506 4.320 -0.008 0.000 0.263 289 K C 0.981 177.729 176.600 0.246 0.000 0.975 289 K CA -0.684 55.678 56.287 0.126 0.000 0.895 289 K CB 2.216 34.791 32.500 0.125 0.000 1.060 289 K HN 0.434 nan 8.250 nan 0.000 0.448 290 E N 1.586 121.901 120.200 0.193 0.000 2.085 290 E HA -0.223 4.122 4.350 -0.008 0.000 0.194 290 E C 1.533 178.179 176.600 0.077 0.000 0.994 290 E CA 1.105 57.577 56.400 0.120 0.000 0.801 290 E CB 0.143 29.912 29.700 0.115 0.000 0.743 290 E HN 0.398 nan 8.360 nan 0.000 0.453 291 L N 1.360 122.666 121.223 0.138 0.000 2.079 291 L HA -0.182 4.153 4.340 -0.008 0.000 0.210 291 L C 2.448 179.422 176.870 0.173 0.000 1.081 291 L CA 1.873 56.810 54.840 0.161 0.000 0.752 291 L CB -0.559 41.661 42.059 0.269 0.000 0.896 291 L HN 0.024 nan 8.230 nan 0.000 0.433 292 R N -0.647 119.909 120.500 0.094 0.000 2.092 292 R HA -0.149 4.186 4.340 -0.008 0.000 0.231 292 R C 2.101 178.450 176.300 0.081 0.000 1.119 292 R CA 1.797 57.880 56.100 -0.029 0.000 0.970 292 R CB -0.971 29.104 30.300 -0.375 0.000 0.864 292 R HN 0.419 nan 8.270 nan 0.000 0.440 293 L N 0.836 122.025 121.223 -0.056 0.000 2.056 293 L HA -0.054 4.281 4.340 -0.008 0.000 0.207 293 L C 1.692 178.511 176.870 -0.085 0.000 1.078 293 L CA 1.885 56.481 54.840 -0.406 0.000 0.749 293 L CB -0.391 41.151 42.059 -0.862 0.000 0.901 293 L HN 0.143 nan 8.230 nan 0.000 0.433 294 K N -0.930 119.475 120.400 0.007 0.000 2.057 294 K HA -0.199 4.116 4.320 -0.008 0.000 0.207 294 K C 2.076 178.845 176.600 0.282 0.000 1.049 294 K CA 1.819 58.188 56.287 0.138 0.000 0.931 294 K CB -0.185 32.224 32.500 -0.153 0.000 0.714 294 K HN 0.524 nan 8.250 nan 0.000 0.440 295 Q N 0.628 120.556 119.800 0.213 0.000 2.084 295 Q HA -0.183 4.152 4.340 -0.008 0.000 0.202 295 Q C 1.947 178.142 176.000 0.325 0.000 0.978 295 Q CA 1.397 57.379 55.803 0.297 0.000 0.844 295 Q CB -0.037 28.896 28.738 0.326 0.000 0.898 295 Q HN 0.387 nan 8.270 nan 0.000 0.426 296 E N -0.129 120.215 120.200 0.239 0.000 2.077 296 E HA -0.212 4.133 4.350 -0.008 0.000 0.193 296 E C 1.711 178.416 176.600 0.175 0.000 0.989 296 E CA 1.046 57.568 56.400 0.202 0.000 0.800 296 E CB -0.117 29.678 29.700 0.158 0.000 0.746 296 E HN 0.327 nan 8.360 nan 0.000 0.452 297 Y N 0.239 120.578 120.300 0.066 0.000 2.286 297 Y HA -0.170 4.375 4.550 -0.008 0.000 0.293 297 Y C 1.923 177.845 175.900 0.036 0.000 1.124 297 Y CA 0.831 58.918 58.100 -0.022 0.000 1.178 297 Y CB -0.306 38.094 38.460 -0.100 0.000 1.010 297 Y HN 0.006 nan 8.280 nan 0.000 0.536 298 F N -0.279 119.660 119.950 -0.019 0.000 2.065 298 F HA -0.246 4.276 4.527 -0.009 0.000 0.298 298 F C 2.470 178.119 175.800 -0.251 0.000 1.112 298 F CA 2.024 59.971 58.000 -0.089 0.000 1.212 298 F CB -1.064 38.032 39.000 0.160 0.000 0.975 298 F HN -0.060 nan 8.300 nan 0.000 0.476 299 V N -0.485 119.387 119.914 -0.070 0.000 2.427 299 V HA -0.197 3.918 4.120 -0.008 0.000 0.248 299 V C 2.187 178.117 176.094 -0.272 0.000 1.051 299 V CA 1.915 64.131 62.300 -0.140 0.000 1.048 299 V CB -0.365 31.573 31.823 0.192 0.000 0.666 299 V HN 0.256 nan 8.190 nan 0.000 0.456 300 V N 0.455 120.217 119.914 -0.252 0.000 2.307 300 V HA -0.170 3.945 4.120 -0.008 0.000 0.245 300 V C 2.810 178.630 176.094 -0.457 0.000 1.045 300 V CA 2.089 64.223 62.300 -0.276 0.000 1.024 300 V CB -1.107 30.615 31.823 -0.168 0.000 0.651 300 V HN 0.640 nan 8.190 nan 0.000 0.449 301 A N -0.072 122.301 122.820 -0.744 0.000 1.877 301 A HA -0.116 4.199 4.320 -0.008 0.000 0.216 301 A C 2.413 179.610 177.584 -0.644 0.000 1.186 301 A CA 2.166 53.763 52.037 -0.733 0.000 0.620 301 A CB -0.842 17.515 19.000 -1.071 0.000 0.822 301 A HN 0.561 nan 8.150 nan 0.000 0.443 302 A N -1.071 121.201 122.820 -0.914 0.000 1.877 302 A HA -0.070 4.245 4.320 -0.008 0.000 0.216 302 A C 2.320 179.372 177.584 -0.888 0.000 1.186 302 A CA 2.301 53.606 52.037 -1.220 0.000 0.620 302 A CB -1.321 16.278 19.000 -2.334 0.000 0.822 302 A HN 0.430 nan 8.150 nan 0.000 0.443 303 T N 0.521 114.682 114.554 -0.655 0.000 2.708 303 T HA -0.108 4.236 4.350 -0.008 0.000 0.266 303 T C 1.823 176.233 174.700 -0.482 0.000 1.037 303 T CA 1.481 63.309 62.100 -0.452 0.000 1.146 303 T CB -0.402 68.206 68.868 -0.433 0.000 0.865 303 T HN 0.340 nan 8.240 nan 0.000 0.435 304 L N 0.705 121.699 121.223 -0.382 0.000 2.083 304 L HA -0.163 4.172 4.340 -0.008 0.000 0.209 304 L C 2.906 179.655 176.870 -0.201 0.000 1.083 304 L CA 1.387 56.062 54.840 -0.275 0.000 0.752 304 L CB -0.516 41.422 42.059 -0.201 0.000 0.899 304 L HN 0.375 nan 8.230 nan 0.000 0.433 305 Q N -0.655 119.022 119.800 -0.205 0.000 2.119 305 Q HA -0.237 4.098 4.340 -0.008 0.000 0.201 305 Q C 1.742 177.707 176.000 -0.057 0.000 0.972 305 Q CA 1.593 57.330 55.803 -0.110 0.000 0.847 305 Q CB -0.096 28.564 28.738 -0.130 0.000 0.903 305 Q HN 0.392 nan 8.270 nan 0.000 0.433 306 D N 0.654 121.005 120.400 -0.082 0.000 2.117 306 D HA -0.096 4.539 4.640 -0.008 0.000 0.198 306 D C 1.683 177.931 176.300 -0.087 0.000 0.982 306 D CA 0.854 54.856 54.000 0.003 0.000 0.828 306 D CB -0.012 40.882 40.800 0.157 0.000 0.967 306 D HN 0.157 nan 8.370 nan 0.000 0.464 307 I N 0.192 120.604 120.570 -0.262 0.000 2.179 307 I HA -0.241 3.924 4.170 -0.008 0.000 0.242 307 I C 2.313 178.446 176.117 0.027 0.000 1.088 307 I CA 0.776 61.871 61.300 -0.341 0.000 1.357 307 I CB -0.161 37.485 38.000 -0.590 0.000 1.051 307 I HN 0.047 nan 8.210 nan 0.000 0.409 308 I N 0.302 120.941 120.570 0.115 0.000 2.315 308 I HA -0.286 3.879 4.170 -0.008 0.000 0.248 308 I C 2.771 179.059 176.117 0.286 0.000 1.117 308 I CA 1.139 62.626 61.300 0.312 0.000 1.404 308 I CB -0.425 37.705 38.000 0.216 0.000 1.071 308 I HN 0.209 nan 8.210 nan 0.000 0.419 309 R N 1.355 121.950 120.500 0.158 0.000 2.083 309 R HA -0.218 4.117 4.340 -0.008 0.000 0.237 309 R C 2.512 178.893 176.300 0.135 0.000 1.137 309 R CA 1.724 57.905 56.100 0.134 0.000 0.951 309 R CB -0.273 30.090 30.300 0.106 0.000 0.851 309 R HN 0.181 nan 8.270 nan 0.000 0.434 310 R N -0.609 119.967 120.500 0.125 0.000 2.096 310 R HA -0.166 4.169 4.340 -0.008 0.000 0.235 310 R C 2.111 178.516 176.300 0.175 0.000 1.127 310 R CA 1.620 57.796 56.100 0.127 0.000 0.968 310 R CB -0.377 29.981 30.300 0.096 0.000 0.861 310 R HN 0.309 nan 8.270 nan 0.000 0.440 311 F N 1.534 121.533 119.950 0.081 0.000 2.102 311 F HA -0.118 4.404 4.527 -0.009 0.000 0.298 311 F C 1.669 177.495 175.800 0.042 0.000 1.105 311 F CA 1.613 59.659 58.000 0.076 0.000 1.239 311 F CB -0.051 39.056 39.000 0.178 0.000 0.991 311 F HN -0.126 nan 8.300 nan 0.000 0.474 312 K N -0.314 120.040 120.400 -0.077 0.000 2.148 312 K HA -0.046 4.269 4.320 -0.008 0.000 0.204 312 K C 1.633 178.142 176.600 -0.152 0.000 1.050 312 K CA 1.295 57.451 56.287 -0.219 0.000 0.942 312 K CB -0.320 32.169 32.500 -0.019 0.000 0.724 312 K HN 0.121 nan 8.250 nan 0.000 0.446 313 S N 1.280 116.961 115.700 -0.032 0.000 2.803 313 S HA 0.086 4.551 4.470 -0.008 0.000 0.228 313 S C 0.198 174.833 174.600 0.059 0.000 0.953 313 S CA -0.214 58.009 58.200 0.038 0.000 0.983 313 S CB 0.080 63.340 63.200 0.101 0.000 0.784 313 S HN 0.133 nan 8.310 nan 0.000 0.498 325 N N 0.968 119.598 118.700 -0.117 0.000 2.918 325 N HA 0.262 4.997 4.740 -0.008 0.000 0.247 325 N C -0.136 175.436 175.510 0.104 0.000 1.117 325 N CA -0.140 52.924 53.050 0.024 0.000 1.005 325 N CB -0.011 38.495 38.487 0.031 0.000 1.297 325 N HN 0.098 nan 8.380 nan 0.000 0.513 326 F N 1.082 121.159 119.950 0.211 0.000 2.771 326 F HA 0.012 4.534 4.527 -0.009 0.000 0.299 326 F C 1.365 177.235 175.800 0.117 0.000 1.177 326 F CA 0.359 58.447 58.000 0.147 0.000 1.450 326 F CB 0.180 39.153 39.000 -0.046 0.000 1.114 326 F HN 0.440 nan 8.300 nan 0.000 0.587 327 D N 0.059 120.605 120.400 0.243 0.000 2.178 327 D HA -0.106 4.529 4.640 -0.008 0.000 0.202 327 D C 2.141 178.537 176.300 0.161 0.000 0.974 327 D CA 1.175 55.274 54.000 0.165 0.000 0.841 327 D CB -0.134 40.737 40.800 0.119 0.000 0.953 327 D HN 0.212 nan 8.370 nan 0.000 0.478 328 A N -0.750 122.192 122.820 0.204 0.000 2.275 328 A HA 0.115 4.430 4.320 -0.008 0.000 0.212 328 A C 1.527 179.232 177.584 0.201 0.000 1.201 328 A CA -0.315 51.836 52.037 0.191 0.000 0.843 328 A CB -0.795 18.323 19.000 0.198 0.000 0.873 328 A HN 0.217 nan 8.150 nan 0.000 0.492 329 F N 1.848 121.775 119.950 -0.039 0.000 2.091 329 F HA -0.126 4.396 4.527 -0.008 0.000 0.299 329 F C -0.808 174.889 175.800 -0.173 0.000 1.103 329 F CA 2.401 60.175 58.000 -0.376 0.000 1.228 329 F CB -0.537 38.250 39.000 -0.355 0.000 0.984 329 F HN 0.199 nan 8.300 nan 0.000 0.477 330 P HA -0.105 nan 4.420 nan 0.000 0.226 330 P C 0.732 177.989 177.300 -0.072 0.000 1.153 330 P CA 1.498 64.568 63.100 -0.051 0.000 0.777 330 P CB -0.048 31.653 31.700 0.002 0.000 0.794 331 D N -0.946 119.434 120.400 -0.033 0.000 2.289 331 D HA -0.025 4.610 4.640 -0.008 0.000 0.207 331 D C 1.465 177.753 176.300 -0.021 0.000 0.966 331 D CA 0.909 54.903 54.000 -0.010 0.000 0.868 331 D CB 0.130 40.946 40.800 0.027 0.000 0.943 331 D HN 0.146 nan 8.370 nan 0.000 0.514 332 K N 0.132 120.498 120.400 -0.057 0.000 2.373 332 K HA 0.214 4.528 4.320 -0.008 0.000 0.200 332 K C -0.020 176.494 176.600 -0.143 0.000 1.054 332 K CA 0.042 56.307 56.287 -0.037 0.000 1.065 332 K CB 2.281 34.867 32.500 0.142 0.000 0.886 332 K HN -0.056 nan 8.250 nan 0.000 0.546 333 V N 0.792 120.526 119.914 -0.300 0.000 2.760 333 V HA 0.656 4.771 4.120 -0.008 0.000 0.309 333 V C -1.177 174.819 176.094 -0.163 0.000 1.077 333 V CA -1.282 60.837 62.300 -0.301 0.000 0.910 333 V CB 1.933 33.270 31.823 -0.811 0.000 1.008 333 V HN 0.102 nan 8.190 nan 0.000 0.424 334 A N 5.438 128.224 122.820 -0.058 0.000 2.359 334 A HA 0.914 5.229 4.320 -0.008 0.000 0.303 334 A C -1.075 176.534 177.584 0.041 0.000 1.066 334 A CA -0.422 51.610 52.037 -0.009 0.000 0.730 334 A CB 1.052 19.989 19.000 -0.105 0.000 1.211 334 A HN 0.757 nan 8.150 nan 0.000 0.439 335 I N 1.946 122.586 120.570 0.117 0.000 2.382 335 I HA 0.311 4.476 4.170 -0.008 0.000 0.286 335 I C -0.334 175.879 176.117 0.160 0.000 1.002 335 I CA -0.581 60.802 61.300 0.138 0.000 1.135 335 I CB 1.946 40.009 38.000 0.106 0.000 1.288 335 I HN 0.698 nan 8.210 nan 0.000 0.448 336 Q N 6.857 126.754 119.800 0.162 0.000 2.314 336 Q HA 0.508 4.843 4.340 -0.008 0.000 0.259 336 Q C -1.338 174.675 176.000 0.021 0.000 0.951 336 Q CA -0.261 55.671 55.803 0.214 0.000 0.909 336 Q CB 1.337 30.328 28.738 0.422 0.000 1.236 336 Q HN 0.570 nan 8.270 nan 0.000 0.444 337 L N 3.765 125.034 121.223 0.076 0.000 2.260 337 L HA 0.403 4.738 4.340 -0.008 0.000 0.289 337 L C 0.068 176.965 176.870 0.044 0.000 1.057 337 L CA -0.767 54.103 54.840 0.050 0.000 0.811 337 L CB 0.718 42.856 42.059 0.132 0.000 1.184 337 L HN 0.569 nan 8.230 nan 0.000 0.429 338 N N 3.531 122.172 118.700 -0.099 0.000 2.508 338 N HA 0.092 4.827 4.740 -0.008 0.000 0.253 338 N C -0.174 175.353 175.510 0.029 0.000 1.145 338 N CA 0.482 53.523 53.050 -0.016 0.000 0.973 338 N CB -0.118 38.260 38.487 -0.181 0.000 1.305 338 N HN 0.708 nan 8.380 nan 0.000 0.506 339 D N -0.464 120.061 120.400 0.207 0.000 3.856 339 D HA -0.252 4.383 4.640 -0.008 0.000 0.276 339 D C 0.424 176.847 176.300 0.205 0.000 2.073 339 D CA 1.957 56.082 54.000 0.209 0.000 1.163 339 D CB -0.508 40.201 40.800 -0.152 0.000 0.937 339 D HN 0.482 nan 8.370 nan 0.000 1.140 340 T N -3.154 111.463 114.554 0.104 0.000 3.129 340 T HA 0.117 4.462 4.350 -0.008 0.000 0.251 340 T C 1.492 176.290 174.700 0.163 0.000 1.117 340 T CA 1.358 63.494 62.100 0.060 0.000 1.034 340 T CB -0.495 68.371 68.868 -0.004 0.000 0.968 340 T HN 0.518 nan 8.240 nan 0.000 0.526 341 H N 2.607 121.763 119.070 0.143 0.000 2.390 341 H HA -0.021 4.530 4.556 -0.008 0.000 0.298 341 H C -0.793 174.621 175.328 0.142 0.000 1.106 341 H CA 1.114 57.260 56.048 0.165 0.000 1.297 341 H CB -0.701 29.158 29.762 0.162 0.000 1.375 341 H HN 0.453 nan 8.280 nan 0.000 0.509 342 P HA 0.094 nan 4.420 nan 0.000 0.266 342 P C 0.727 178.071 177.300 0.072 0.000 1.561 342 P CA 0.354 63.534 63.100 0.132 0.000 1.089 342 P CB 0.501 32.268 31.700 0.113 0.000 1.534 343 S N -0.033 115.704 115.700 0.062 0.000 2.440 343 S HA -0.128 4.337 4.470 -0.008 0.000 0.238 343 S C 1.779 176.380 174.600 0.001 0.000 1.010 343 S CA 0.784 58.981 58.200 -0.005 0.000 0.972 343 S CB -1.462 61.711 63.200 -0.045 0.000 0.774 343 S HN 0.153 nan 8.310 nan 0.000 0.501 344 L N 0.926 122.164 121.223 0.025 0.000 2.549 344 L HA 0.048 4.383 4.340 -0.008 0.000 0.229 344 L C 2.878 179.783 176.870 0.058 0.000 1.158 344 L CA 0.585 55.444 54.840 0.032 0.000 0.842 344 L CB -0.733 41.346 42.059 0.033 0.000 0.952 344 L HN 0.472 nan 8.230 nan 0.000 0.452 345 A N 0.525 123.359 122.820 0.023 0.000 1.972 345 A HA -0.174 4.141 4.320 -0.008 0.000 0.219 345 A C 2.186 179.767 177.584 -0.004 0.000 1.169 345 A CA 1.353 53.389 52.037 -0.001 0.000 0.635 345 A CB -0.409 18.582 19.000 -0.015 0.000 0.810 345 A HN 0.365 nan 8.150 nan 0.000 0.446 346 I N 0.331 120.899 120.570 -0.003 0.000 2.113 346 I HA -0.148 4.017 4.170 -0.008 0.000 0.238 346 I C -0.322 175.807 176.117 0.020 0.000 1.070 346 I CA 1.571 62.865 61.300 -0.009 0.000 1.332 346 I CB -1.014 36.983 38.000 -0.005 0.000 1.044 346 I HN 0.254 nan 8.210 nan 0.000 0.402 347 P HA -0.162 nan 4.420 nan 0.000 0.222 347 P C 1.250 178.558 177.300 0.013 0.000 1.153 347 P CA 1.454 64.579 63.100 0.041 0.000 0.798 347 P CB 0.052 31.797 31.700 0.074 0.000 0.796 348 E N 0.371 120.648 120.200 0.128 0.000 2.106 348 E HA -0.144 4.201 4.350 -0.008 0.000 0.192 348 E C 1.930 178.512 176.600 -0.030 0.000 0.984 348 E CA 0.625 57.117 56.400 0.153 0.000 0.806 348 E CB -1.189 28.655 29.700 0.241 0.000 0.750 348 E HN 0.003 nan 8.360 nan 0.000 0.458 349 L N -0.046 121.132 121.223 -0.076 0.000 2.046 349 L HA -0.086 4.249 4.340 -0.008 0.000 0.208 349 L C 2.061 178.791 176.870 -0.234 0.000 1.077 349 L CA 1.730 56.468 54.840 -0.169 0.000 0.747 349 L CB -0.539 41.423 42.059 -0.161 0.000 0.896 349 L HN 0.226 nan 8.230 nan 0.000 0.432 350 M N -0.746 118.729 119.600 -0.209 0.000 2.117 350 M HA -0.204 4.270 4.480 -0.008 0.000 0.262 350 M C 2.438 178.573 176.300 -0.275 0.000 1.065 350 M CA 1.555 56.679 55.300 -0.293 0.000 1.114 350 M CB -1.190 31.216 32.600 -0.323 0.000 1.361 350 M HN 0.338 nan 8.290 nan 0.000 0.408 351 R N 0.050 120.413 120.500 -0.229 0.000 2.083 351 R HA -0.141 4.194 4.340 -0.008 0.000 0.237 351 R C 2.053 178.252 176.300 -0.169 0.000 1.137 351 R CA 1.765 57.734 56.100 -0.217 0.000 0.951 351 R CB -0.211 29.910 30.300 -0.298 0.000 0.851 351 R HN 0.209 nan 8.270 nan 0.000 0.434 352 V N 1.424 121.236 119.914 -0.169 0.000 2.295 352 V HA -0.250 3.865 4.120 -0.008 0.000 0.246 352 V C 2.417 178.356 176.094 -0.259 0.000 1.049 352 V CA 1.738 63.934 62.300 -0.173 0.000 1.024 352 V CB -0.411 31.306 31.823 -0.177 0.000 0.648 352 V HN 0.349 nan 8.190 nan 0.000 0.447 353 L N -0.608 120.397 121.223 -0.364 0.000 2.093 353 L HA -0.127 4.208 4.340 -0.008 0.000 0.208 353 L C 2.368 179.062 176.870 -0.294 0.000 1.085 353 L CA 1.092 55.652 54.840 -0.465 0.000 0.755 353 L CB -0.580 41.156 42.059 -0.538 0.000 0.904 353 L HN 0.218 nan 8.230 nan 0.000 0.435 354 V N -0.624 119.157 119.914 -0.220 0.000 2.300 354 V HA -0.169 3.945 4.120 -0.008 0.000 0.241 354 V C 1.973 178.029 176.094 -0.063 0.000 1.034 354 V CA 1.630 63.861 62.300 -0.115 0.000 1.021 354 V CB -0.356 31.423 31.823 -0.074 0.000 0.662 354 V HN 0.328 nan 8.190 nan 0.000 0.458 355 D N 0.127 120.486 120.400 -0.067 0.000 2.123 355 D HA -0.032 4.603 4.640 -0.008 0.000 0.200 355 D C 2.056 178.335 176.300 -0.033 0.000 0.976 355 D CA 1.224 55.203 54.000 -0.035 0.000 0.831 355 D CB -0.002 40.776 40.800 -0.037 0.000 0.974 355 D HN 0.323 nan 8.370 nan 0.000 0.469 356 L N 0.208 121.396 121.223 -0.058 0.000 2.286 356 L HA 0.091 4.426 4.340 -0.008 0.000 0.203 356 L C 1.905 178.753 176.870 -0.037 0.000 1.068 356 L CA 0.563 55.379 54.840 -0.040 0.000 0.811 356 L CB -0.024 42.011 42.059 -0.039 0.000 0.989 356 L HN -0.179 nan 8.230 nan 0.000 0.467 357 E N 0.304 120.450 120.200 -0.091 0.000 2.442 357 E HA 0.013 4.358 4.350 -0.008 0.000 0.195 357 E C 0.178 176.757 176.600 -0.035 0.000 1.030 357 E CA -0.004 56.356 56.400 -0.066 0.000 0.869 357 E CB 0.298 29.855 29.700 -0.239 0.000 0.857 357 E HN 0.181 nan 8.360 nan 0.000 0.505 358 R N -0.456 120.016 120.500 -0.047 0.000 3.776 358 R HA -0.180 4.155 4.340 -0.008 0.000 0.312 358 R C -0.387 175.906 176.300 -0.011 0.000 1.181 358 R CA 0.233 56.325 56.100 -0.013 0.000 0.836 358 R CB -2.807 27.502 30.300 0.015 0.000 1.324 358 R HN 0.080 nan 8.270 nan 0.000 0.501 359 L N 2.148 123.337 121.223 -0.056 0.000 2.418 359 L HA 0.192 4.527 4.340 -0.008 0.000 0.265 359 L C 1.385 178.252 176.870 -0.006 0.000 1.143 359 L CA 0.077 54.893 54.840 -0.040 0.000 0.809 359 L CB 0.425 42.415 42.059 -0.114 0.000 1.124 359 L HN 0.117 nan 8.230 nan 0.000 0.456 360 D N 0.449 120.869 120.400 0.034 0.000 2.362 360 D HA -0.130 4.505 4.640 -0.008 0.000 0.242 360 D C 0.947 177.317 176.300 0.116 0.000 1.132 360 D CA -0.520 53.533 54.000 0.088 0.000 0.907 360 D CB 0.735 41.592 40.800 0.095 0.000 1.195 360 D HN 0.604 nan 8.370 nan 0.000 0.429 361 W N 1.901 123.203 121.300 0.003 0.000 2.315 361 W HA -0.246 4.409 4.660 -0.008 0.000 0.323 361 W C 1.006 177.567 176.519 0.069 0.000 1.233 361 W CA 2.011 59.364 57.345 0.013 0.000 1.267 361 W CB -0.344 29.103 29.460 -0.022 0.000 1.160 361 W HN 0.431 nan 8.180 nan 0.000 0.474 362 D N 0.305 120.917 120.400 0.353 0.000 2.133 362 D HA -0.219 4.416 4.640 -0.008 0.000 0.195 362 D C 1.884 178.289 176.300 0.175 0.000 0.997 362 D CA 2.110 56.283 54.000 0.288 0.000 0.840 362 D CB -0.437 40.498 40.800 0.225 0.000 0.947 362 D HN 0.087 nan 8.370 nan 0.000 0.452 363 K N 0.995 121.456 120.400 0.100 0.000 2.062 363 K HA 0.057 4.372 4.320 -0.008 0.000 0.205 363 K C 1.819 178.412 176.600 -0.010 0.000 1.051 363 K CA 1.370 57.688 56.287 0.053 0.000 0.941 363 K CB -0.540 31.986 32.500 0.043 0.000 0.719 363 K HN -0.003 nan 8.250 nan 0.000 0.440 364 A N 0.658 123.430 122.820 -0.080 0.000 1.908 364 A HA -0.189 4.126 4.320 -0.008 0.000 0.218 364 A C 2.258 179.749 177.584 -0.155 0.000 1.181 364 A CA 1.520 53.440 52.037 -0.196 0.000 0.627 364 A CB -1.244 17.571 19.000 -0.309 0.000 0.818 364 A HN 0.696 nan 8.150 nan 0.000 0.445 365 W N 0.625 121.713 121.300 -0.353 0.000 2.363 365 W HA -0.164 4.491 4.660 -0.008 0.000 0.296 365 W C 1.988 178.446 176.519 -0.102 0.000 1.212 365 W CA 1.766 58.952 57.345 -0.264 0.000 1.260 365 W CB -0.069 29.278 29.460 -0.188 0.000 1.131 365 W HN 0.621 nan 8.180 nan 0.000 0.530 366 E N 0.106 120.302 120.200 -0.007 0.000 2.051 366 E HA -0.221 4.124 4.350 -0.008 0.000 0.192 366 E C 2.041 178.566 176.600 -0.125 0.000 0.991 366 E CA 1.854 58.215 56.400 -0.066 0.000 0.799 366 E CB -0.312 29.405 29.700 0.028 0.000 0.748 366 E HN 0.057 nan 8.360 nan 0.000 0.449 367 V N 0.749 120.605 119.914 -0.098 0.000 2.343 367 V HA -0.250 3.865 4.120 -0.008 0.000 0.247 367 V C 2.400 178.430 176.094 -0.106 0.000 1.051 367 V CA 2.163 64.424 62.300 -0.066 0.000 1.036 367 V CB -0.749 31.027 31.823 -0.079 0.000 0.654 367 V HN 0.381 nan 8.190 nan 0.000 0.451 368 T N 0.087 114.506 114.554 -0.224 0.000 2.652 368 T HA -0.185 4.160 4.350 -0.008 0.000 0.267 368 T C 1.955 176.477 174.700 -0.296 0.000 1.039 368 T CA 1.810 63.752 62.100 -0.264 0.000 1.153 368 T CB -0.303 68.350 68.868 -0.357 0.000 0.863 368 T HN 0.276 nan 8.240 nan 0.000 0.428 369 V N 1.512 121.131 119.914 -0.492 0.000 2.332 369 V HA -0.187 3.928 4.120 -0.008 0.000 0.248 369 V C 2.340 178.390 176.094 -0.074 0.000 1.055 369 V CA 1.659 63.729 62.300 -0.382 0.000 1.038 369 V CB -0.512 31.011 31.823 -0.501 0.000 0.651 369 V HN 0.488 nan 8.190 nan 0.000 0.450 370 K N -0.508 119.830 120.400 -0.104 0.000 2.362 370 K HA -0.081 4.234 4.320 -0.008 0.000 0.200 370 K C 2.047 178.615 176.600 -0.054 0.000 1.046 370 K CA 1.490 57.696 56.287 -0.136 0.000 0.952 370 K CB -0.193 32.231 32.500 -0.126 0.000 0.753 370 K HN 0.471 nan 8.250 nan 0.000 0.466 371 T N 0.190 114.776 114.554 0.052 0.000 3.010 371 T HA 0.032 4.377 4.350 -0.008 0.000 0.252 371 T C 0.904 175.712 174.700 0.181 0.000 1.047 371 T CA 0.328 62.494 62.100 0.111 0.000 1.140 371 T CB 0.125 69.091 68.868 0.162 0.000 0.885 371 T HN 0.167 nan 8.240 nan 0.000 0.464 372 C N 2.410 121.798 119.300 0.147 0.000 2.401 372 C HA 0.881 5.336 4.460 -0.008 0.000 0.365 372 C C 0.580 175.615 174.990 0.074 0.000 1.250 372 C CA -1.252 57.831 59.018 0.108 0.000 2.131 372 C CB 0.114 27.857 27.740 0.005 0.000 2.445 372 C HN 0.582 nan 8.230 nan 0.000 0.550 373 A N 2.029 124.889 122.820 0.067 0.000 2.449 373 A HA 0.757 5.072 4.320 -0.008 0.000 0.302 373 A C -1.514 176.141 177.584 0.117 0.000 1.048 373 A CA -0.414 51.610 52.037 -0.022 0.000 0.708 373 A CB 1.029 20.053 19.000 0.040 0.000 1.274 373 A HN 0.952 nan 8.150 nan 0.000 0.410 374 Y N 1.141 121.389 120.300 -0.087 0.000 2.376 374 Y HA 0.653 5.199 4.550 -0.008 0.000 0.340 374 Y C -0.547 175.339 175.900 -0.023 0.000 0.965 374 Y CA -0.319 57.748 58.100 -0.055 0.000 1.078 374 Y CB 2.092 40.480 38.460 -0.121 0.000 1.193 374 Y HN 0.567 nan 8.280 nan 0.000 0.452 375 T N 6.528 120.869 114.554 -0.356 0.000 2.770 375 T HA 0.198 4.543 4.350 -0.008 0.000 0.283 375 T C -0.859 173.375 174.700 -0.777 0.000 0.988 375 T CA -0.825 60.995 62.100 -0.467 0.000 0.957 375 T CB 0.505 69.331 68.868 -0.070 0.000 0.930 375 T HN 0.659 nan 8.240 nan 0.000 0.443 376 N N 1.770 120.016 118.700 -0.756 0.000 2.456 376 N HA 0.137 4.872 4.740 -0.008 0.000 0.288 376 N C -0.083 175.275 175.510 -0.252 0.000 1.059 376 N CA -0.333 52.501 53.050 -0.360 0.000 0.946 376 N CB 0.786 39.242 38.487 -0.051 0.000 1.150 376 N HN 0.672 nan 8.380 nan 0.000 0.479 377 H N 1.029 120.121 119.070 0.036 0.000 2.923 377 H HA 0.188 4.738 4.556 -0.009 0.000 0.268 377 H C -0.248 174.996 175.328 -0.139 0.000 1.148 377 H CA -0.086 55.930 56.048 -0.053 0.000 1.146 377 H CB 1.039 30.777 29.762 -0.040 0.000 1.607 377 H HN 0.546 nan 8.280 nan 0.000 0.566 378 T N 0.105 114.676 114.554 0.028 0.000 2.775 378 T HA 0.230 4.575 4.350 -0.008 0.000 0.320 378 T C 0.129 174.846 174.700 0.028 0.000 1.597 378 T CA -0.241 61.831 62.100 -0.047 0.000 1.022 378 T CB 1.176 70.019 68.868 -0.041 0.000 1.485 378 T HN -0.042 nan 8.240 nan 0.000 0.494 379 V N 0.987 120.878 119.914 -0.038 0.000 3.432 379 V HA 0.564 4.679 4.120 -0.008 0.000 0.298 379 V C 0.485 176.543 176.094 -0.060 0.000 1.464 379 V CA -0.112 62.157 62.300 -0.051 0.000 1.046 379 V CB -0.276 31.519 31.823 -0.047 0.000 0.887 379 V HN 0.682 nan 8.190 nan 0.000 0.441 380 L N 3.375 124.553 121.223 -0.075 0.000 2.462 380 L HA 0.246 4.581 4.340 -0.008 0.000 0.272 380 L C -0.476 176.399 176.870 0.008 0.000 1.166 380 L CA -1.063 53.759 54.840 -0.029 0.000 0.880 380 L CB 0.871 42.897 42.059 -0.056 0.000 1.142 380 L HN 0.113 nan 8.230 nan 0.000 0.473 381 P HA -0.227 nan 4.420 nan 0.000 0.216 381 P C 0.899 178.210 177.300 0.018 0.000 1.150 381 P CA 1.349 64.458 63.100 0.015 0.000 0.837 381 P CB 0.070 31.783 31.700 0.021 0.000 0.786 382 E N 0.258 120.497 120.200 0.066 0.000 2.418 382 E HA -0.039 4.306 4.350 -0.008 0.000 0.197 382 E C 1.607 178.202 176.600 -0.008 0.000 1.026 382 E CA 1.015 57.447 56.400 0.054 0.000 0.862 382 E CB -0.661 29.168 29.700 0.215 0.000 0.799 382 E HN 0.222 nan 8.360 nan 0.000 0.518 383 A N 1.149 123.993 122.820 0.040 0.000 2.220 383 A HA 0.254 4.569 4.320 -0.008 0.000 0.211 383 A C 1.248 178.826 177.584 -0.010 0.000 1.176 383 A CA -0.337 51.731 52.037 0.053 0.000 0.834 383 A CB -0.019 19.034 19.000 0.089 0.000 0.868 383 A HN 0.135 nan 8.150 nan 0.000 0.488 384 L N 1.390 122.567 121.223 -0.077 0.000 2.380 384 L HA 0.171 4.506 4.340 -0.008 0.000 0.273 384 L C -0.057 176.509 176.870 -0.507 0.000 1.138 384 L CA -0.211 54.525 54.840 -0.173 0.000 0.832 384 L CB 0.646 42.638 42.059 -0.113 0.000 1.124 384 L HN 0.306 nan 8.230 nan 0.000 0.454 385 E N 3.915 123.710 120.200 -0.674 0.000 2.223 385 E HA 0.261 4.605 4.350 -0.008 0.000 0.282 385 E C -0.650 175.358 176.600 -0.987 0.000 1.046 385 E CA -0.235 55.314 56.400 -1.418 0.000 0.857 385 E CB 0.804 29.985 29.700 -0.865 0.000 1.055 385 E HN 0.401 nan 8.360 nan 0.000 0.409 386 R N 3.693 123.510 120.500 -1.139 0.000 2.576 386 R HA 0.182 4.517 4.340 -0.008 0.000 0.283 386 R C -1.288 174.863 176.300 -0.249 0.000 1.493 386 R CA -0.562 55.274 56.100 -0.441 0.000 1.170 386 R CB 0.751 30.906 30.300 -0.242 0.000 1.189 386 R HN 0.453 nan 8.270 nan 0.000 0.542 387 W N 3.981 125.239 121.300 -0.070 0.000 2.266 387 W HA 0.258 4.913 4.660 -0.009 0.000 0.317 387 W C -1.912 174.576 176.519 -0.051 0.000 1.310 387 W CA -2.017 55.342 57.345 0.023 0.000 1.207 387 W CB 0.544 29.996 29.460 -0.013 0.000 1.199 387 W HN 0.225 nan 8.180 nan 0.000 0.544 388 P HA -0.069 nan 4.420 nan 0.000 0.267 388 P C 0.771 177.982 177.300 -0.149 0.000 1.205 388 P CA 0.156 63.194 63.100 -0.103 0.000 0.765 388 P CB 0.778 32.238 31.700 -0.400 0.000 0.828 389 V N 3.286 123.161 119.914 -0.065 0.000 2.392 389 V HA -0.287 3.828 4.120 -0.008 0.000 0.249 389 V C 2.107 178.202 176.094 0.001 0.000 1.059 389 V CA 2.506 64.803 62.300 -0.004 0.000 1.051 389 V CB -1.721 30.163 31.823 0.102 0.000 0.658 389 V HN 0.757 nan 8.190 nan 0.000 0.455 390 H N -0.938 118.193 119.070 0.101 0.000 2.456 390 H HA -0.095 4.456 4.556 -0.008 0.000 0.296 390 H C 1.979 177.359 175.328 0.087 0.000 1.079 390 H CA 1.643 57.746 56.048 0.092 0.000 1.322 390 H CB -0.581 29.235 29.762 0.090 0.000 1.388 390 H HN 0.375 nan 8.280 nan 0.000 0.538 391 L N -0.163 121.004 121.223 -0.093 0.000 2.044 391 L HA -0.045 4.290 4.340 -0.008 0.000 0.205 391 L C 2.314 179.173 176.870 -0.018 0.000 1.075 391 L CA 0.882 55.744 54.840 0.036 0.000 0.747 391 L CB -0.182 41.877 42.059 0.001 0.000 0.903 391 L HN 0.312 nan 8.230 nan 0.000 0.435 392 L N -0.548 120.626 121.223 -0.081 0.000 2.083 392 L HA -0.240 4.095 4.340 -0.008 0.000 0.209 392 L C 2.473 179.291 176.870 -0.086 0.000 1.083 392 L CA 1.189 55.944 54.840 -0.141 0.000 0.752 392 L CB -0.484 41.475 42.059 -0.166 0.000 0.899 392 L HN 0.343 nan 8.230 nan 0.000 0.433 393 E N -0.277 119.916 120.200 -0.012 0.000 2.118 393 E HA -0.214 4.131 4.350 -0.008 0.000 0.195 393 E C 1.875 178.518 176.600 0.073 0.000 0.992 393 E CA 1.867 58.289 56.400 0.037 0.000 0.804 393 E CB 0.153 29.913 29.700 0.100 0.000 0.741 393 E HN 0.424 nan 8.360 nan 0.000 0.458 394 T N 0.563 115.185 114.554 0.112 0.000 2.939 394 T HA -0.044 4.301 4.350 -0.008 0.000 0.254 394 T C 1.653 176.474 174.700 0.202 0.000 1.041 394 T CA 0.537 62.752 62.100 0.191 0.000 1.142 394 T CB -0.062 68.952 68.868 0.242 0.000 0.874 394 T HN 0.069 nan 8.240 nan 0.000 0.452 395 L N 0.213 121.459 121.223 0.038 0.000 2.127 395 L HA 0.359 4.694 4.340 -0.008 0.000 0.203 395 L C 0.369 177.173 176.870 -0.109 0.000 1.080 395 L CA 1.605 56.348 54.840 -0.161 0.000 0.768 395 L CB 0.013 41.947 42.059 -0.208 0.000 0.924 395 L HN 0.167 nan 8.230 nan 0.000 0.444 396 L N 0.924 122.044 121.223 -0.172 0.000 2.551 396 L HA 0.291 4.626 4.340 -0.008 0.000 0.248 396 L C -1.640 175.051 176.870 -0.298 0.000 1.509 396 L CA -0.968 53.679 54.840 -0.322 0.000 0.842 396 L CB 0.898 42.608 42.059 -0.582 0.000 1.087 396 L HN -0.050 nan 8.230 nan 0.000 0.512 397 P HA -0.237 nan 4.420 nan 0.000 0.216 397 P C 1.459 178.572 177.300 -0.311 0.000 1.153 397 P CA 1.348 64.332 63.100 -0.194 0.000 0.858 397 P CB 0.380 32.037 31.700 -0.072 0.000 0.789 398 R N -0.365 119.768 120.500 -0.611 0.000 2.092 398 R HA -0.138 4.196 4.340 -0.008 0.000 0.231 398 R C 2.368 178.368 176.300 -0.500 0.000 1.119 398 R CA 1.544 57.290 56.100 -0.591 0.000 0.970 398 R CB -1.380 28.388 30.300 -0.886 0.000 0.864 398 R HN 0.225 nan 8.270 nan 0.000 0.440 399 H N -0.203 118.556 119.070 -0.517 0.000 2.389 399 H HA -0.045 4.506 4.556 -0.009 0.000 0.299 399 H C 1.777 176.934 175.328 -0.285 0.000 1.081 399 H CA 1.602 57.431 56.048 -0.365 0.000 1.345 399 H CB -0.085 29.426 29.762 -0.418 0.000 1.393 399 H HN 0.108 nan 8.280 nan 0.000 0.520 400 L N 0.479 121.582 121.223 -0.201 0.000 2.046 400 L HA -0.240 4.095 4.340 -0.008 0.000 0.208 400 L C 1.870 178.559 176.870 -0.302 0.000 1.077 400 L CA 1.571 56.227 54.840 -0.307 0.000 0.747 400 L CB -0.262 41.641 42.059 -0.260 0.000 0.896 400 L HN 0.444 nan 8.230 nan 0.000 0.432 401 Q N -0.268 119.465 119.800 -0.112 0.000 2.084 401 Q HA -0.238 4.097 4.340 -0.008 0.000 0.202 401 Q C 2.173 178.198 176.000 0.041 0.000 0.978 401 Q CA 1.650 57.480 55.803 0.045 0.000 0.844 401 Q CB -0.122 28.642 28.738 0.043 0.000 0.898 401 Q HN 0.556 nan 8.270 nan 0.000 0.426 402 I N 0.511 121.078 120.570 -0.004 0.000 2.286 402 I HA -0.270 3.895 4.170 -0.008 0.000 0.248 402 I C 2.163 178.351 176.117 0.118 0.000 1.115 402 I CA 1.044 62.417 61.300 0.123 0.000 1.392 402 I CB -0.151 37.864 38.000 0.025 0.000 1.065 402 I HN 0.206 nan 8.210 nan 0.000 0.418 403 I N -0.558 119.997 120.570 -0.024 0.000 2.315 403 I HA -0.299 3.866 4.170 -0.008 0.000 0.248 403 I C 2.359 178.478 176.117 0.003 0.000 1.117 403 I CA 1.342 62.614 61.300 -0.048 0.000 1.404 403 I CB -0.341 37.558 38.000 -0.168 0.000 1.071 403 I HN 0.154 nan 8.210 nan 0.000 0.419 404 Y N 0.868 121.172 120.300 0.008 0.000 2.181 404 Y HA -0.256 4.289 4.550 -0.008 0.000 0.288 404 Y C 2.589 178.457 175.900 -0.053 0.000 1.146 404 Y CA 1.442 59.534 58.100 -0.014 0.000 1.164 404 Y CB -0.717 37.728 38.460 -0.026 0.000 0.982 404 Y HN 0.173 nan 8.280 nan 0.000 0.515 405 E N 0.467 120.710 120.200 0.071 0.000 2.077 405 E HA -0.150 4.195 4.350 -0.008 0.000 0.193 405 E C 2.041 178.557 176.600 -0.140 0.000 0.989 405 E CA 1.341 57.642 56.400 -0.164 0.000 0.800 405 E CB -0.538 28.909 29.700 -0.421 0.000 0.746 405 E HN 0.478 nan 8.360 nan 0.000 0.452 406 I N 0.588 121.177 120.570 0.032 0.000 2.226 406 I HA -0.274 3.891 4.170 -0.008 0.000 0.245 406 I C 2.261 178.383 176.117 0.010 0.000 1.100 406 I CA 1.376 62.656 61.300 -0.033 0.000 1.374 406 I CB -0.393 37.594 38.000 -0.022 0.000 1.057 406 I HN 0.213 nan 8.210 nan 0.000 0.413 407 N N 0.753 119.504 118.700 0.085 0.000 2.120 407 N HA -0.262 4.472 4.740 -0.008 0.000 0.188 407 N C 1.864 177.459 175.510 0.142 0.000 1.024 407 N CA 1.499 54.650 53.050 0.168 0.000 0.852 407 N CB -0.115 38.487 38.487 0.191 0.000 1.003 407 N HN 0.292 nan 8.380 nan 0.000 0.424 408 Q N 0.000 119.830 119.800 0.050 0.000 2.030 408 Q HA -0.122 4.213 4.340 -0.008 0.000 0.204 408 Q C 1.989 177.972 176.000 -0.028 0.000 0.986 408 Q CA 1.538 57.333 55.803 -0.013 0.000 0.843 408 Q CB 0.008 28.696 28.738 -0.084 0.000 0.904 408 Q HN 0.391 nan 8.270 nan 0.000 0.420 409 R N -0.751 119.709 120.500 -0.066 0.000 2.115 409 R HA -0.118 4.217 4.340 -0.008 0.000 0.230 409 R C 2.171 178.500 176.300 0.049 0.000 1.111 409 R CA 1.145 57.207 56.100 -0.064 0.000 0.976 409 R CB -0.351 29.856 30.300 -0.155 0.000 0.870 409 R HN 0.280 nan 8.270 nan 0.000 0.445 410 F N 1.640 121.567 119.950 -0.038 0.000 2.113 410 F HA -0.074 4.448 4.527 -0.009 0.000 0.297 410 F C 1.883 177.708 175.800 0.042 0.000 1.103 410 F CA 1.254 59.279 58.000 0.043 0.000 1.248 410 F CB -0.220 38.837 39.000 0.096 0.000 0.999 410 F HN -0.134 nan 8.300 nan 0.000 0.475 411 L N -0.000 121.229 121.223 0.009 0.000 2.191 411 L HA -0.234 4.101 4.340 -0.008 0.000 0.212 411 L C 1.995 178.796 176.870 -0.115 0.000 1.103 411 L CA 1.498 56.281 54.840 -0.096 0.000 0.769 411 L CB -0.873 41.194 42.059 0.014 0.000 0.908 411 L HN 0.255 nan 8.230 nan 0.000 0.438 412 N N -0.213 118.440 118.700 -0.078 0.000 2.188 412 N HA -0.158 4.577 4.740 -0.008 0.000 0.184 412 N C 1.926 177.380 175.510 -0.092 0.000 1.018 412 N CA 0.712 53.718 53.050 -0.073 0.000 0.858 412 N CB 0.028 38.479 38.487 -0.059 0.000 0.989 412 N HN 0.271 nan 8.380 nan 0.000 0.426 413 R N 0.444 120.870 120.500 -0.123 0.000 2.090 413 R HA -0.016 4.319 4.340 -0.008 0.000 0.228 413 R C 2.127 178.321 176.300 -0.177 0.000 1.110 413 R CA 0.679 56.701 56.100 -0.129 0.000 0.973 413 R CB -0.099 30.137 30.300 -0.107 0.000 0.869 413 R HN 0.063 nan 8.270 nan 0.000 0.440 414 V N 0.695 120.453 119.914 -0.259 0.000 2.307 414 V HA -0.209 3.906 4.120 -0.008 0.000 0.245 414 V C 2.357 178.434 176.094 -0.029 0.000 1.045 414 V CA 1.943 64.148 62.300 -0.157 0.000 1.024 414 V CB -0.651 31.019 31.823 -0.256 0.000 0.651 414 V HN 0.398 nan 8.190 nan 0.000 0.449 415 A N -0.021 122.762 122.820 -0.062 0.000 1.978 415 A HA -0.106 4.209 4.320 -0.008 0.000 0.220 415 A C 2.347 179.903 177.584 -0.046 0.000 1.170 415 A CA 2.065 54.084 52.037 -0.030 0.000 0.636 415 A CB -0.611 18.364 19.000 -0.041 0.000 0.810 415 A HN 0.578 nan 8.150 nan 0.000 0.448 416 A N -0.686 122.086 122.820 -0.081 0.000 1.970 416 A HA 0.357 4.671 4.320 -0.008 0.000 0.216 416 A C 2.339 179.825 177.584 -0.163 0.000 1.170 416 A CA 1.546 53.524 52.037 -0.098 0.000 0.645 416 A CB -0.602 18.346 19.000 -0.088 0.000 0.816 416 A HN 0.927 nan 8.150 nan 0.000 0.447 417 A N -1.609 121.063 122.820 -0.247 0.000 1.975 417 A HA 0.392 4.707 4.320 -0.008 0.000 0.215 417 A C 0.407 177.507 177.584 -0.806 0.000 1.170 417 A CA 0.519 52.229 52.037 -0.545 0.000 0.656 417 A CB -0.137 18.453 19.000 -0.683 0.000 0.821 417 A HN 0.408 nan 8.150 nan 0.000 0.449 418 F N -0.124 119.779 119.950 -0.078 0.000 2.584 418 F HA 0.345 4.867 4.527 -0.009 0.000 0.328 418 F C -2.785 172.978 175.800 -0.061 0.000 1.407 418 F CA -2.935 55.023 58.000 -0.069 0.000 1.145 418 F CB 0.631 39.582 39.000 -0.082 0.000 1.440 418 F HN -0.077 nan 8.300 nan 0.000 0.580 419 P HA 0.146 nan 4.420 nan 0.000 0.262 419 P C 1.036 178.355 177.300 0.033 0.000 1.182 419 P CA 1.280 64.391 63.100 0.017 0.000 0.761 419 P CB 0.736 32.429 31.700 -0.012 0.000 0.795 420 G N 2.717 111.529 108.800 0.020 0.000 2.234 420 G HA2 -0.260 3.695 3.960 -0.008 0.000 0.260 420 G HA3 -0.260 3.695 3.960 -0.008 0.000 0.260 420 G C 0.406 175.316 174.900 0.015 0.000 0.987 420 G CA 0.105 45.213 45.100 0.014 0.000 0.625 420 G HN 0.610 nan 8.290 nan 0.000 0.532 421 D N 1.546 121.964 120.400 0.030 0.000 2.551 421 D HA 0.364 4.999 4.640 -0.008 0.000 0.223 421 D C 2.128 178.420 176.300 -0.014 0.000 1.144 421 D CA 0.436 54.439 54.000 0.005 0.000 1.025 421 D CB 0.343 41.144 40.800 0.002 0.000 1.085 421 D HN 0.616 nan 8.370 nan 0.000 0.506 422 V N 0.792 120.699 119.914 -0.011 0.000 2.490 422 V HA -0.165 3.950 4.120 -0.008 0.000 0.250 422 V C 1.805 177.888 176.094 -0.018 0.000 1.061 422 V CA 1.620 63.913 62.300 -0.012 0.000 1.064 422 V CB -0.476 31.343 31.823 -0.007 0.000 0.670 422 V HN 0.229 nan 8.190 nan 0.000 0.461 423 D N 0.421 120.807 120.400 -0.025 0.000 2.178 423 D HA -0.166 4.469 4.640 -0.008 0.000 0.202 423 D C 2.338 178.612 176.300 -0.043 0.000 0.974 423 D CA 1.315 55.300 54.000 -0.025 0.000 0.841 423 D CB -0.227 40.558 40.800 -0.025 0.000 0.953 423 D HN 0.457 nan 8.370 nan 0.000 0.478 424 R N -0.125 120.326 120.500 -0.082 0.000 2.096 424 R HA -0.078 4.257 4.340 -0.008 0.000 0.235 424 R C 2.230 178.465 176.300 -0.108 0.000 1.127 424 R CA 0.819 56.835 56.100 -0.140 0.000 0.968 424 R CB -0.225 29.933 30.300 -0.237 0.000 0.861 424 R HN 0.258 nan 8.270 nan 0.000 0.440 425 L N 0.687 121.871 121.223 -0.065 0.000 2.012 425 L HA -0.205 4.130 4.340 -0.008 0.000 0.210 425 L C 2.669 179.544 176.870 0.008 0.000 1.073 425 L CA 1.863 56.682 54.840 -0.035 0.000 0.748 425 L CB -0.498 41.550 42.059 -0.019 0.000 0.891 425 L HN 0.274 nan 8.230 nan 0.000 0.431 426 R N 0.120 120.631 120.500 0.018 0.000 2.148 426 R HA -0.090 4.245 4.340 -0.008 0.000 0.223 426 R C 2.097 178.448 176.300 0.085 0.000 1.088 426 R CA 0.989 57.121 56.100 0.053 0.000 0.985 426 R CB -0.550 29.775 30.300 0.042 0.000 0.880 426 R HN 0.208 nan 8.270 nan 0.000 0.451 427 R N 0.098 120.630 120.500 0.054 0.000 2.115 427 R HA 0.142 4.477 4.340 -0.008 0.000 0.226 427 R C 1.965 178.348 176.300 0.138 0.000 1.100 427 R CA 1.656 57.812 56.100 0.093 0.000 0.980 427 R CB -0.169 30.146 30.300 0.026 0.000 0.875 427 R HN 0.325 nan 8.270 nan 0.000 0.445 428 M N 0.172 119.777 119.600 0.008 0.000 2.509 428 M HA 0.049 4.524 4.480 -0.008 0.000 0.250 428 M C 0.878 177.334 176.300 0.261 0.000 1.132 428 M CA 0.005 55.264 55.300 -0.069 0.000 1.080 428 M CB 0.443 32.839 32.600 -0.340 0.000 1.408 428 M HN -0.086 nan 8.290 nan 0.000 0.484 429 S N 1.068 116.930 115.700 0.269 0.000 2.563 429 S HA 0.054 4.519 4.470 -0.008 0.000 0.284 429 S C 1.123 175.980 174.600 0.429 0.000 1.331 429 S CA -0.221 58.166 58.200 0.312 0.000 1.047 429 S CB 0.580 63.906 63.200 0.210 0.000 0.859 429 S HN 0.375 nan 8.310 nan 0.000 0.514 430 L N 3.876 125.302 121.223 0.339 0.000 2.313 430 L HA 0.117 4.452 4.340 -0.008 0.000 0.214 430 L C 0.250 177.225 176.870 0.175 0.000 1.119 430 L CA 0.272 55.270 54.840 0.263 0.000 0.809 430 L CB -0.360 41.794 42.059 0.158 0.000 0.933 430 L HN 0.399 nan 8.230 nan 0.000 0.449 431 V N 0.913 120.943 119.914 0.194 0.000 2.383 431 V HA 0.167 4.282 4.120 -0.008 0.000 0.275 431 V C 0.071 176.251 176.094 0.143 0.000 1.036 431 V CA -0.582 61.818 62.300 0.167 0.000 0.889 431 V CB 1.341 33.297 31.823 0.223 0.000 0.985 431 V HN 0.178 nan 8.190 nan 0.000 0.459 432 E N 3.271 123.533 120.200 0.104 0.000 2.174 432 E HA 0.418 4.763 4.350 -0.008 0.000 0.282 432 E C -0.671 175.978 176.600 0.082 0.000 0.992 432 E CA -0.565 55.888 56.400 0.088 0.000 0.803 432 E CB 1.918 31.649 29.700 0.052 0.000 1.090 432 E HN 0.597 nan 8.360 nan 0.000 0.396 433 E N 0.895 121.141 120.200 0.077 0.000 2.314 433 E HA 0.649 4.994 4.350 -0.008 0.000 0.262 433 E C 0.126 176.760 176.600 0.058 0.000 1.093 433 E CA 0.261 56.701 56.400 0.067 0.000 0.908 433 E CB 1.508 31.242 29.700 0.058 0.000 1.091 433 E HN 0.643 nan 8.360 nan 0.000 0.425 434 G N -0.245 108.588 108.800 0.054 0.000 2.302 434 G HA2 0.248 4.203 3.960 -0.008 0.000 0.264 434 G HA3 0.248 4.203 3.960 -0.008 0.000 0.264 434 G C 0.464 175.395 174.900 0.052 0.000 1.335 434 G CA 0.276 45.405 45.100 0.048 0.000 0.982 434 G HN 0.614 nan 8.290 nan 0.000 0.473 435 A N -0.929 121.920 122.820 0.049 0.000 1.870 435 A HA 0.249 4.564 4.320 -0.008 0.000 0.219 435 A C 1.689 179.315 177.584 0.069 0.000 1.224 435 A CA 4.256 56.325 52.037 0.052 0.000 0.650 435 A CB -1.268 17.761 19.000 0.049 0.000 0.836 435 A HN 2.388 nan 8.150 nan 0.000 0.454 436 V N -3.672 116.291 119.914 0.081 0.000 2.588 436 V HA 0.559 4.674 4.120 -0.008 0.000 0.304 436 V C -0.592 175.561 176.094 0.098 0.000 1.042 436 V CA -1.430 60.937 62.300 0.112 0.000 0.877 436 V CB 1.609 33.523 31.823 0.152 0.000 0.996 436 V HN 0.330 nan 8.190 nan 0.000 0.425 437 K N 3.860 124.325 120.400 0.109 0.000 2.382 437 K HA 0.515 4.830 4.320 -0.008 0.000 0.275 437 K C -0.379 176.272 176.600 0.084 0.000 1.009 437 K CA -0.187 56.160 56.287 0.101 0.000 0.970 437 K CB 0.872 33.447 32.500 0.125 0.000 0.934 437 K HN 0.740 nan 8.250 nan 0.000 0.479 438 R N 1.368 121.910 120.500 0.071 0.000 2.836 438 R HA 0.492 4.827 4.340 -0.008 0.000 0.269 438 R C -0.711 175.617 176.300 0.048 0.000 1.010 438 R CA -1.034 55.097 56.100 0.052 0.000 0.930 438 R CB 1.280 31.596 30.300 0.028 0.000 1.218 438 R HN 0.360 nan 8.270 nan 0.000 0.473 439 I N 1.840 122.434 120.570 0.040 0.000 2.339 439 I HA 0.176 4.341 4.170 -0.008 0.000 0.290 439 I C -0.285 175.812 176.117 -0.033 0.000 0.994 439 I CA -0.788 60.523 61.300 0.019 0.000 1.191 439 I CB 1.256 39.265 38.000 0.015 0.000 1.343 439 I HN 0.511 nan 8.210 nan 0.000 0.458 440 N N 7.105 125.754 118.700 -0.086 0.000 2.402 440 N HA 0.090 4.825 4.740 -0.008 0.000 0.252 440 N C 0.843 176.246 175.510 -0.179 0.000 1.118 440 N CA -0.318 52.598 53.050 -0.222 0.000 0.945 440 N CB 0.953 39.149 38.487 -0.485 0.000 1.147 440 N HN 0.376 nan 8.380 nan 0.000 0.495 441 M N 2.438 121.942 119.600 -0.160 0.000 2.296 441 M HA -0.070 4.405 4.480 -0.008 0.000 0.265 441 M C 1.910 178.071 176.300 -0.232 0.000 1.064 441 M CA 0.715 55.936 55.300 -0.131 0.000 1.109 441 M CB -1.540 31.026 32.600 -0.057 0.000 1.396 441 M HN 0.604 nan 8.290 nan 0.000 0.430 442 A N -0.538 122.142 122.820 -0.234 0.000 1.930 442 A HA -0.164 4.151 4.320 -0.008 0.000 0.217 442 A C 1.979 179.341 177.584 -0.369 0.000 1.175 442 A CA 1.400 53.268 52.037 -0.283 0.000 0.627 442 A CB -1.095 17.939 19.000 0.055 0.000 0.815 442 A HN 0.598 nan 8.150 nan 0.000 0.443 443 H N -1.062 117.788 119.070 -0.366 0.000 2.389 443 H HA -0.013 4.538 4.556 -0.009 0.000 0.299 443 H C 2.115 177.212 175.328 -0.386 0.000 1.081 443 H CA 0.917 56.702 56.048 -0.439 0.000 1.345 443 H CB -0.034 29.690 29.762 -0.064 0.000 1.393 443 H HN 0.388 nan 8.280 nan 0.000 0.520 444 L N 0.368 121.503 121.223 -0.148 0.000 2.017 444 L HA -0.219 4.116 4.340 -0.008 0.000 0.208 444 L C 2.196 178.924 176.870 -0.236 0.000 1.073 444 L CA 1.257 56.009 54.840 -0.146 0.000 0.745 444 L CB -0.368 41.633 42.059 -0.097 0.000 0.894 444 L HN 0.432 nan 8.230 nan 0.000 0.432 445 C N 0.048 119.108 119.300 -0.401 0.000 2.429 445 C HA -0.161 4.294 4.460 -0.008 0.000 0.277 445 C C 2.661 177.385 174.990 -0.443 0.000 1.262 445 C CA 0.584 59.283 59.018 -0.532 0.000 1.733 445 C CB -0.745 26.299 27.740 -1.160 0.000 2.010 445 C HN 0.519 nan 8.230 nan 0.000 0.483 446 I N 1.336 121.600 120.570 -0.510 0.000 2.252 446 I HA -0.179 3.986 4.170 -0.008 0.000 0.245 446 I C 2.760 178.711 176.117 -0.277 0.000 1.102 446 I CA 1.579 62.624 61.300 -0.424 0.000 1.385 446 I CB -0.575 37.024 38.000 -0.668 0.000 1.064 446 I HN 0.259 nan 8.210 nan 0.000 0.414 447 A N 0.640 123.263 122.820 -0.327 0.000 1.933 447 A HA -0.095 4.220 4.320 -0.008 0.000 0.218 447 A C 2.193 179.794 177.584 0.028 0.000 1.175 447 A CA 1.871 53.748 52.037 -0.267 0.000 0.628 447 A CB -1.132 17.516 19.000 -0.586 0.000 0.814 447 A HN 0.475 nan 8.150 nan 0.000 0.444 448 G N -1.093 107.674 108.800 -0.056 0.000 3.371 448 G HA2 0.423 4.378 3.960 -0.008 0.000 0.248 448 G HA3 0.423 4.378 3.960 -0.008 0.000 0.248 448 G C 0.055 174.783 174.900 -0.286 0.000 1.161 448 G CA 0.435 45.381 45.100 -0.257 0.000 0.796 448 G HN 0.333 nan 8.290 nan 0.000 0.539 449 S N -0.346 115.239 115.700 -0.192 0.000 2.536 449 S HA 0.330 4.795 4.470 -0.008 0.000 0.298 449 S C 0.697 175.228 174.600 -0.115 0.000 1.083 449 S CA -0.722 57.390 58.200 -0.146 0.000 0.995 449 S CB 1.254 64.375 63.200 -0.132 0.000 1.058 449 S HN 0.512 nan 8.310 nan 0.000 0.488 450 H N -0.137 118.884 119.070 -0.082 0.000 2.548 450 H HA 0.531 5.082 4.556 -0.009 0.000 0.265 450 H C 0.083 175.378 175.328 -0.054 0.000 0.969 450 H CA 0.175 56.196 56.048 -0.045 0.000 1.155 450 H CB 0.162 29.919 29.762 -0.009 0.000 1.394 450 H HN 0.503 nan 8.280 nan 0.000 0.570 451 A N 0.928 123.435 122.820 -0.521 0.000 2.488 451 A HA 0.552 4.867 4.320 -0.008 0.000 0.298 451 A C -1.480 175.900 177.584 -0.340 0.000 1.044 451 A CA -0.567 51.224 52.037 -0.410 0.000 0.693 451 A CB 2.185 20.919 19.000 -0.442 0.000 1.272 451 A HN 0.095 nan 8.150 nan 0.000 0.402 452 V N 4.234 123.917 119.914 -0.386 0.000 2.525 452 V HA 0.535 4.650 4.120 -0.008 0.000 0.299 452 V C -0.788 175.128 176.094 -0.296 0.000 1.034 452 V CA -0.762 61.312 62.300 -0.376 0.000 0.863 452 V CB 1.803 33.258 31.823 -0.613 0.000 0.999 452 V HN 1.024 nan 8.190 nan 0.000 0.423 453 N N 3.139 121.684 118.700 -0.257 0.000 2.265 453 N HA 0.632 5.367 4.740 -0.008 0.000 0.300 453 N C -0.269 175.148 175.510 -0.154 0.000 1.148 453 N CA -0.388 52.554 53.050 -0.180 0.000 0.772 453 N CB 2.887 41.240 38.487 -0.222 0.000 1.434 453 N HN 0.629 nan 8.380 nan 0.000 0.481 454 G N -0.890 107.857 108.800 -0.088 0.000 2.511 454 G HA2 0.431 4.386 3.960 -0.008 0.000 0.316 454 G HA3 0.431 4.386 3.960 -0.008 0.000 0.316 454 G C 0.684 175.652 174.900 0.115 0.000 1.210 454 G CA -0.544 44.555 45.100 -0.001 0.000 0.969 454 G HN 0.629 nan 8.290 nan 0.000 0.492 455 V N -3.556 116.540 119.914 0.304 0.000 3.319 455 V HA 0.697 4.812 4.120 -0.008 0.000 0.317 455 V C 0.512 176.686 176.094 0.134 0.000 1.411 455 V CA 0.262 62.650 62.300 0.147 0.000 1.112 455 V CB -0.806 31.064 31.823 0.079 0.000 1.031 455 V HN 1.368 nan 8.190 nan 0.000 0.448 456 A N -0.086 122.821 122.820 0.145 0.000 2.594 456 A HA 0.621 4.936 4.320 -0.008 0.000 0.296 456 A C 0.668 178.300 177.584 0.081 0.000 1.056 456 A CA -0.104 51.997 52.037 0.107 0.000 0.693 456 A CB 1.157 20.210 19.000 0.088 0.000 1.278 456 A HN 0.047 nan 8.150 nan 0.000 0.408 457 R N 1.007 121.534 120.500 0.045 0.000 2.113 457 R HA -0.175 4.159 4.340 -0.008 0.000 0.244 457 R C 1.656 177.953 176.300 -0.005 0.000 1.142 457 R CA 2.360 58.465 56.100 0.008 0.000 0.953 457 R CB -0.226 30.074 30.300 0.000 0.000 0.860 457 R HN 0.828 nan 8.270 nan 0.000 0.438 458 I N 0.183 120.759 120.570 0.009 0.000 2.315 458 I HA -0.277 3.888 4.170 -0.008 0.000 0.248 458 I C 2.300 178.423 176.117 0.009 0.000 1.117 458 I CA 1.749 63.046 61.300 -0.005 0.000 1.404 458 I CB -0.216 37.781 38.000 -0.005 0.000 1.071 458 I HN 0.346 nan 8.210 nan 0.000 0.419 459 H N 0.336 119.373 119.070 -0.055 0.000 2.326 459 H HA -0.109 4.442 4.556 -0.009 0.000 0.301 459 H C 2.269 177.553 175.328 -0.074 0.000 1.081 459 H CA 2.177 58.185 56.048 -0.067 0.000 1.334 459 H CB -0.275 29.454 29.762 -0.056 0.000 1.385 459 H HN 0.228 nan 8.280 nan 0.000 0.504 460 S N 0.370 115.948 115.700 -0.203 0.000 2.399 460 S HA -0.123 4.342 4.470 -0.008 0.000 0.231 460 S C 1.883 176.354 174.600 -0.215 0.000 1.022 460 S CA 1.211 59.268 58.200 -0.238 0.000 0.983 460 S CB -0.071 63.067 63.200 -0.105 0.000 0.803 460 S HN 0.482 nan 8.310 nan 0.000 0.480 461 E N 1.136 121.235 120.200 -0.169 0.000 2.107 461 E HA 0.022 4.367 4.350 -0.008 0.000 0.191 461 E C 2.002 178.483 176.600 -0.199 0.000 0.982 461 E CA 0.604 56.897 56.400 -0.179 0.000 0.809 461 E CB -0.326 29.301 29.700 -0.121 0.000 0.756 461 E HN 0.511 nan 8.360 nan 0.000 0.459 462 I N 0.930 121.393 120.570 -0.178 0.000 2.286 462 I HA -0.256 3.909 4.170 -0.008 0.000 0.248 462 I C 2.363 178.340 176.117 -0.232 0.000 1.115 462 I CA 0.712 61.911 61.300 -0.169 0.000 1.392 462 I CB -0.207 37.723 38.000 -0.116 0.000 1.065 462 I HN 0.061 nan 8.210 nan 0.000 0.418 463 L N 0.440 121.476 121.223 -0.311 0.000 2.046 463 L HA -0.220 4.115 4.340 -0.008 0.000 0.208 463 L C 2.464 179.195 176.870 -0.232 0.000 1.077 463 L CA 1.571 56.218 54.840 -0.321 0.000 0.747 463 L CB -0.532 41.385 42.059 -0.237 0.000 0.896 463 L HN 0.201 nan 8.230 nan 0.000 0.432 464 K N -0.097 120.104 120.400 -0.332 0.000 2.228 464 K HA -0.096 4.219 4.320 -0.008 0.000 0.202 464 K C 1.967 178.370 176.600 -0.329 0.000 1.051 464 K CA 0.837 56.805 56.287 -0.533 0.000 0.960 464 K CB 0.075 32.007 32.500 -0.947 0.000 0.743 464 K HN 0.263 nan 8.250 nan 0.000 0.458 465 K N 0.097 120.357 120.400 -0.233 0.000 2.314 465 K HA -0.015 4.300 4.320 -0.008 0.000 0.198 465 K C 1.732 178.279 176.600 -0.089 0.000 1.045 465 K CA 1.260 57.464 56.287 -0.138 0.000 0.988 465 K CB 0.520 32.948 32.500 -0.121 0.000 0.783 465 K HN 0.266 nan 8.250 nan 0.000 0.484 466 T N -1.463 113.030 114.554 -0.102 0.000 2.964 466 T HA 0.066 4.410 4.350 -0.008 0.000 0.161 466 T C 1.875 176.552 174.700 -0.038 0.000 0.859 466 T CA -0.038 62.021 62.100 -0.068 0.000 1.015 466 T CB -0.790 68.028 68.868 -0.083 0.000 2.138 466 T HN 0.087 nan 8.240 nan 0.000 0.367 467 I N -0.717 119.784 120.570 -0.114 0.000 2.315 467 I HA 0.084 4.249 4.170 -0.008 0.000 0.251 467 I C 1.589 177.819 176.117 0.188 0.000 1.125 467 I CA 1.630 62.878 61.300 -0.086 0.000 1.392 467 I CB -0.677 37.115 38.000 -0.347 0.000 1.065 467 I HN 0.287 nan 8.210 nan 0.000 0.424 468 F N 0.734 120.757 119.950 0.121 0.000 2.668 468 F HA 0.292 4.813 4.527 -0.009 0.000 0.301 468 F C 2.085 177.974 175.800 0.148 0.000 1.106 468 F CA -0.662 57.480 58.000 0.236 0.000 1.289 468 F CB 0.168 39.293 39.000 0.209 0.000 1.006 468 F HN -0.054 nan 8.300 nan 0.000 0.535 469 K N 1.181 121.707 120.400 0.210 0.000 2.059 469 K HA -0.229 4.086 4.320 -0.008 0.000 0.212 469 K C 1.353 178.011 176.600 0.097 0.000 1.050 469 K CA 2.270 58.617 56.287 0.099 0.000 0.927 469 K CB -0.047 32.477 32.500 0.039 0.000 0.714 469 K HN 0.160 nan 8.250 nan 0.000 0.447 470 D N -0.186 120.240 120.400 0.043 0.000 2.123 470 D HA -0.168 4.467 4.640 -0.008 0.000 0.196 470 D C 1.857 178.061 176.300 -0.160 0.000 0.992 470 D CA 1.273 55.170 54.000 -0.172 0.000 0.833 470 D CB -0.305 40.288 40.800 -0.345 0.000 0.954 470 D HN 0.251 nan 8.370 nan 0.000 0.455 471 F N -0.045 119.978 119.950 0.121 0.000 2.186 471 F HA -0.149 4.372 4.527 -0.009 0.000 0.299 471 F C 2.364 178.320 175.800 0.260 0.000 1.090 471 F CA 0.533 58.681 58.000 0.247 0.000 1.307 471 F CB -0.704 38.495 39.000 0.331 0.000 1.019 471 F HN -0.033 nan 8.300 nan 0.000 0.489 472 Y N 1.449 121.747 120.300 -0.004 0.000 2.224 472 Y HA -0.192 4.353 4.550 -0.008 0.000 0.289 472 Y C 2.071 177.977 175.900 0.009 0.000 1.146 472 Y CA 1.604 59.526 58.100 -0.296 0.000 1.182 472 Y CB -0.616 37.474 38.460 -0.617 0.000 0.983 472 Y HN 0.158 nan 8.280 nan 0.000 0.524 473 E N -0.479 119.673 120.200 -0.081 0.000 2.150 473 E HA -0.172 4.173 4.350 -0.008 0.000 0.193 473 E C 1.967 178.627 176.600 0.099 0.000 0.985 473 E CA 1.125 57.484 56.400 -0.069 0.000 0.814 473 E CB -0.234 29.463 29.700 -0.005 0.000 0.752 473 E HN 0.429 nan 8.360 nan 0.000 0.466 474 L N 1.007 122.332 121.223 0.169 0.000 2.095 474 L HA -0.028 4.307 4.340 -0.008 0.000 0.204 474 L C 0.292 177.272 176.870 0.182 0.000 1.080 474 L CA 1.646 56.624 54.840 0.230 0.000 0.759 474 L CB 0.388 42.578 42.059 0.219 0.000 0.914 474 L HN -0.113 nan 8.230 nan 0.000 0.439 475 E N 0.157 120.471 120.200 0.191 0.000 3.386 475 E HA 0.184 4.529 4.350 -0.008 0.000 0.236 475 E C -1.995 174.605 176.600 -0.000 0.000 1.227 475 E CA -1.281 55.178 56.400 0.099 0.000 0.970 475 E CB 0.782 30.508 29.700 0.042 0.000 1.343 475 E HN 0.206 nan 8.360 nan 0.000 0.397 476 P HA -0.260 nan 4.420 nan 0.000 0.216 476 P C 1.215 178.639 177.300 0.207 0.000 1.150 476 P CA 1.475 64.529 63.100 -0.076 0.000 0.837 476 P CB -0.025 31.507 31.700 -0.279 0.000 0.786 477 H N 0.341 119.512 119.070 0.169 0.000 2.489 477 H HA 0.028 4.578 4.556 -0.009 0.000 0.293 477 H C 1.511 176.928 175.328 0.147 0.000 1.066 477 H CA 0.916 57.053 56.048 0.148 0.000 1.305 477 H CB -0.888 28.933 29.762 0.097 0.000 1.386 477 H HN 0.183 nan 8.280 nan 0.000 0.551 478 K N 0.246 120.481 120.400 -0.274 0.000 2.217 478 K HA 0.031 4.346 4.320 -0.008 0.000 0.202 478 K C -0.086 176.341 176.600 -0.288 0.000 1.051 478 K CA 0.248 56.367 56.287 -0.281 0.000 0.952 478 K CB 0.061 32.281 32.500 -0.465 0.000 0.736 478 K HN 0.107 nan 8.250 nan 0.000 0.453 479 F N 1.819 121.791 119.950 0.037 0.000 2.438 479 F HA 0.153 4.675 4.527 -0.009 0.000 0.356 479 F C 0.541 176.346 175.800 0.008 0.000 1.099 479 F CA -0.074 57.956 58.000 0.051 0.000 1.185 479 F CB 0.849 39.939 39.000 0.150 0.000 1.115 479 F HN -0.088 nan 8.300 nan 0.000 0.526 480 Q N 1.741 121.575 119.800 0.056 0.000 2.605 480 Q HA 0.371 4.706 4.340 -0.008 0.000 0.296 480 Q C -1.209 174.754 176.000 -0.061 0.000 1.056 480 Q CA -1.286 54.503 55.803 -0.023 0.000 0.778 480 Q CB 3.097 31.766 28.738 -0.115 0.000 1.497 480 Q HN 0.632 nan 8.270 nan 0.000 0.443 481 N N 0.565 119.208 118.700 -0.094 0.000 2.238 481 N HA 0.304 5.039 4.740 -0.008 0.000 0.302 481 N C -1.538 173.876 175.510 -0.160 0.000 1.072 481 N CA -0.412 52.581 53.050 -0.096 0.000 0.792 481 N CB 1.198 39.650 38.487 -0.057 0.000 1.425 481 N HN 0.291 nan 8.380 nan 0.000 0.478 482 K N 2.628 122.939 120.400 -0.148 0.000 2.803 482 K HA 0.177 4.492 4.320 -0.008 0.000 0.229 482 K C -1.016 175.594 176.600 0.017 0.000 1.084 482 K CA -0.463 55.709 56.287 -0.191 0.000 1.063 482 K CB 1.142 33.307 32.500 -0.558 0.000 1.254 482 K HN 0.559 nan 8.250 nan 0.000 0.551 483 T N 1.977 116.558 114.554 0.045 0.000 2.928 483 T HA 0.054 4.399 4.350 -0.008 0.000 0.305 483 T C 0.839 175.666 174.700 0.212 0.000 1.035 483 T CA 0.398 62.574 62.100 0.127 0.000 1.145 483 T CB 0.332 69.276 68.868 0.126 0.000 0.963 483 T HN 0.350 nan 8.240 nan 0.000 0.545 484 N N 0.476 119.322 118.700 0.244 0.000 2.260 484 N HA 0.424 5.159 4.740 -0.008 0.000 0.230 484 N C 0.463 176.158 175.510 0.308 0.000 1.323 484 N CA -0.183 53.044 53.050 0.295 0.000 0.897 484 N CB 0.373 38.975 38.487 0.192 0.000 1.146 484 N HN 0.766 nan 8.380 nan 0.000 0.460 485 G N -0.776 108.209 108.800 0.308 0.000 2.608 485 G HA2 0.558 4.512 3.960 -0.008 0.000 0.291 485 G HA3 0.558 4.512 3.960 -0.008 0.000 0.291 485 G C -1.485 173.545 174.900 0.216 0.000 1.425 485 G CA -0.744 44.525 45.100 0.282 0.000 0.787 485 G HN 0.594 nan 8.290 nan 0.000 0.484 486 I N -2.243 118.440 120.570 0.189 0.000 2.828 486 I HA 0.765 4.930 4.170 -0.008 0.000 0.302 486 I C -0.232 176.039 176.117 0.257 0.000 1.101 486 I CA -0.948 60.456 61.300 0.174 0.000 1.031 486 I CB 2.431 40.426 38.000 -0.008 0.000 1.231 486 I HN 0.515 nan 8.210 nan 0.000 0.427 487 T N 4.268 119.026 114.554 0.340 0.000 2.814 487 T HA 0.343 4.688 4.350 -0.008 0.000 0.297 487 T C -1.357 173.458 174.700 0.192 0.000 0.956 487 T CA -1.596 60.631 62.100 0.211 0.000 1.123 487 T CB 0.753 69.695 68.868 0.122 0.000 0.902 487 T HN 0.647 nan 8.240 nan 0.000 0.528 488 P HA 0.040 nan 4.420 nan 0.000 0.237 488 P C 1.022 178.288 177.300 -0.057 0.000 1.178 488 P CA 0.289 63.423 63.100 0.057 0.000 0.766 488 P CB 0.389 32.108 31.700 0.031 0.000 0.876 489 R N 0.524 120.946 120.500 -0.129 0.000 2.060 489 R HA 0.032 4.367 4.340 -0.008 0.000 0.225 489 R C 2.717 178.895 176.300 -0.203 0.000 1.155 489 R CA 1.495 57.474 56.100 -0.200 0.000 0.930 489 R CB -1.226 28.962 30.300 -0.187 0.000 0.829 489 R HN 0.031 nan 8.270 nan 0.000 0.433 490 R N -0.748 119.572 120.500 -0.300 0.000 2.075 490 R HA -0.117 4.218 4.340 -0.008 0.000 0.232 490 R C 1.008 176.929 176.300 -0.632 0.000 1.126 490 R CA 1.584 57.349 56.100 -0.560 0.000 0.963 490 R CB -0.169 29.616 30.300 -0.859 0.000 0.858 490 R HN 0.292 nan 8.270 nan 0.000 0.435 491 W N -0.077 121.177 121.300 -0.077 0.000 3.405 491 W HA 0.147 4.801 4.660 -0.009 0.000 0.300 491 W C 0.903 177.389 176.519 -0.055 0.000 1.286 491 W CA -0.674 56.625 57.345 -0.077 0.000 1.762 491 W CB 0.383 29.801 29.460 -0.070 0.000 1.087 491 W HN 0.231 nan 8.180 nan 0.000 0.703 492 L N -2.431 118.838 121.223 0.076 0.000 2.604 492 L HA 0.173 4.508 4.340 -0.008 0.000 0.150 492 L C 1.734 178.618 176.870 0.022 0.000 1.292 492 L CA 0.716 55.602 54.840 0.076 0.000 0.977 492 L CB -0.856 41.275 42.059 0.119 0.000 1.943 492 L HN -0.262 nan 8.230 nan 0.000 0.508 493 V N 1.297 121.202 119.914 -0.015 0.000 2.287 493 V HA -0.277 3.838 4.120 -0.008 0.000 0.248 493 V C 2.453 178.518 176.094 -0.048 0.000 1.053 493 V CA 2.523 64.805 62.300 -0.030 0.000 1.027 493 V CB -0.671 31.106 31.823 -0.077 0.000 0.646 493 V HN 0.520 nan 8.190 nan 0.000 0.447 494 L N 0.473 121.637 121.223 -0.098 0.000 2.005 494 L HA -0.186 4.149 4.340 -0.008 0.000 0.207 494 L C 2.490 179.293 176.870 -0.111 0.000 1.072 494 L CA 2.415 57.181 54.840 -0.123 0.000 0.744 494 L CB -0.269 41.666 42.059 -0.206 0.000 0.895 494 L HN 0.658 nan 8.230 nan 0.000 0.433 495 C N -1.726 117.501 119.300 -0.122 0.000 2.563 495 C HA 0.198 4.653 4.460 -0.008 0.000 0.268 495 C C 1.196 176.166 174.990 -0.033 0.000 1.365 495 C CA -0.287 58.678 59.018 -0.087 0.000 1.754 495 C CB -1.015 26.670 27.740 -0.091 0.000 1.932 495 C HN 0.596 nan 8.230 nan 0.000 0.536 496 N N 1.200 119.892 118.700 -0.013 0.000 2.733 496 N HA 0.278 5.013 4.740 -0.008 0.000 0.271 496 N C -1.687 173.833 175.510 0.018 0.000 1.720 496 N CA -1.607 51.448 53.050 0.008 0.000 0.803 496 N CB 0.768 39.269 38.487 0.023 0.000 1.208 496 N HN 0.258 nan 8.380 nan 0.000 0.498 497 P HA -0.064 nan 4.420 nan 0.000 0.218 497 P C 1.397 178.713 177.300 0.026 0.000 1.148 497 P CA 0.952 64.063 63.100 0.018 0.000 0.822 497 P CB 0.240 31.943 31.700 0.005 0.000 0.784 498 G N 0.656 109.466 108.800 0.017 0.000 2.440 498 G HA2 -0.252 3.703 3.960 -0.008 0.000 0.218 498 G HA3 -0.252 3.703 3.960 -0.008 0.000 0.218 498 G C 1.536 176.446 174.900 0.016 0.000 1.154 498 G CA 0.739 45.847 45.100 0.013 0.000 0.767 498 G HN 0.264 nan 8.290 nan 0.000 0.552 499 L N 1.172 122.407 121.223 0.020 0.000 2.072 499 L HA 0.311 4.646 4.340 -0.008 0.000 0.205 499 L C 3.025 179.930 176.870 0.059 0.000 1.079 499 L CA 1.933 56.785 54.840 0.021 0.000 0.752 499 L CB -0.691 41.380 42.059 0.020 0.000 0.906 499 L HN 0.218 nan 8.230 nan 0.000 0.436 500 A N -0.779 122.097 122.820 0.092 0.000 1.933 500 A HA -0.236 4.079 4.320 -0.008 0.000 0.218 500 A C 2.230 179.916 177.584 0.171 0.000 1.175 500 A CA 1.756 53.901 52.037 0.180 0.000 0.628 500 A CB -0.605 18.490 19.000 0.157 0.000 0.814 500 A HN 0.536 nan 8.150 nan 0.000 0.444 501 E N 0.716 120.975 120.200 0.098 0.000 2.046 501 E HA -0.145 4.200 4.350 -0.008 0.000 0.190 501 E C 1.863 178.504 176.600 0.069 0.000 0.982 501 E CA 1.533 57.980 56.400 0.078 0.000 0.800 501 E CB -0.504 29.223 29.700 0.045 0.000 0.756 501 E HN 0.728 nan 8.360 nan 0.000 0.449 502 I N -1.629 118.977 120.570 0.059 0.000 2.454 502 I HA -0.144 4.021 4.170 -0.008 0.000 0.254 502 I C 2.102 178.287 176.117 0.112 0.000 1.156 502 I CA 1.095 62.441 61.300 0.078 0.000 1.433 502 I CB -0.364 37.670 38.000 0.058 0.000 1.082 502 I HN 0.025 nan 8.210 nan 0.000 0.432 503 I N 1.949 122.566 120.570 0.078 0.000 2.233 503 I HA -0.159 4.006 4.170 -0.008 0.000 0.243 503 I C 3.037 179.111 176.117 -0.072 0.000 1.093 503 I CA 1.254 62.529 61.300 -0.041 0.000 1.380 503 I CB -0.478 37.383 38.000 -0.230 0.000 1.067 503 I HN 0.276 nan 8.210 nan 0.000 0.413 504 A N 0.465 123.338 122.820 0.089 0.000 1.978 504 A HA -0.237 4.078 4.320 -0.008 0.000 0.220 504 A C 2.156 179.775 177.584 0.059 0.000 1.170 504 A CA 1.659 53.800 52.037 0.174 0.000 0.636 504 A CB -0.621 18.512 19.000 0.222 0.000 0.810 504 A HN 0.444 nan 8.150 nan 0.000 0.448 505 E N -0.727 119.487 120.200 0.023 0.000 2.160 505 E HA -0.204 4.141 4.350 -0.008 0.000 0.195 505 E C 2.244 178.808 176.600 -0.060 0.000 0.991 505 E CA 1.157 57.553 56.400 -0.007 0.000 0.810 505 E CB -0.053 29.645 29.700 -0.003 0.000 0.742 505 E HN 0.493 nan 8.360 nan 0.000 0.466 506 R N 0.108 120.517 120.500 -0.151 0.000 2.105 506 R HA 0.075 4.410 4.340 -0.008 0.000 0.214 506 R C 2.300 178.527 176.300 -0.122 0.000 1.091 506 R CA 0.857 56.794 56.100 -0.273 0.000 1.007 506 R CB -0.173 29.656 30.300 -0.784 0.000 0.912 506 R HN 0.318 nan 8.270 nan 0.000 0.450 507 I N -2.883 117.633 120.570 -0.089 0.000 4.081 507 I HA 0.436 4.601 4.170 -0.008 0.000 0.333 507 I C 0.350 176.512 176.117 0.075 0.000 1.413 507 I CA 0.012 61.314 61.300 0.003 0.000 1.110 507 I CB 0.807 38.797 38.000 -0.017 0.000 1.082 507 I HN 0.172 nan 8.210 nan 0.000 0.402 508 G N 2.134 110.987 108.800 0.090 0.000 2.660 508 G HA2 -0.206 3.749 3.960 -0.008 0.000 0.247 508 G HA3 -0.206 3.749 3.960 -0.008 0.000 0.247 508 G C -0.090 174.942 174.900 0.220 0.000 1.328 508 G CA 0.119 45.291 45.100 0.121 0.000 0.884 508 G HN 0.453 nan 8.290 nan 0.000 0.531 509 E N -0.413 119.866 120.200 0.132 0.000 2.476 509 E HA 0.080 4.425 4.350 -0.008 0.000 0.199 509 E C 1.819 178.373 176.600 -0.077 0.000 1.021 509 E CA -0.048 56.373 56.400 0.034 0.000 0.907 509 E CB 0.318 30.027 29.700 0.015 0.000 0.974 509 E HN 0.451 nan 8.360 nan 0.000 0.489 510 E N 0.743 120.969 120.200 0.042 0.000 2.219 510 E HA -0.202 4.143 4.350 -0.008 0.000 0.198 510 E C 1.764 178.363 176.600 -0.002 0.000 0.998 510 E CA 1.060 57.477 56.400 0.029 0.000 0.818 510 E CB -0.077 29.663 29.700 0.067 0.000 0.741 510 E HN 0.532 nan 8.360 nan 0.000 0.477 511 Y N -0.933 119.372 120.300 0.009 0.000 2.333 511 Y HA -0.050 4.496 4.550 -0.007 0.000 0.290 511 Y C 2.025 177.903 175.900 -0.036 0.000 1.144 511 Y CA 0.628 58.725 58.100 -0.005 0.000 1.228 511 Y CB -0.852 37.609 38.460 0.002 0.000 0.985 511 Y HN -0.084 nan 8.280 nan 0.000 0.542 512 I N 0.969 121.044 120.570 -0.825 0.000 2.423 512 I HA -0.249 3.916 4.170 -0.008 0.000 0.254 512 I C 1.691 177.548 176.117 -0.433 0.000 1.151 512 I CA 1.887 62.762 61.300 -0.708 0.000 1.421 512 I CB -0.396 37.112 38.000 -0.820 0.000 1.079 512 I HN 0.510 nan 8.210 nan 0.000 0.431 513 S N -2.189 113.367 115.700 -0.240 0.000 2.749 513 S HA 0.175 4.640 4.470 -0.008 0.000 0.246 513 S C 0.138 174.719 174.600 -0.030 0.000 1.023 513 S CA -0.503 57.632 58.200 -0.109 0.000 1.012 513 S CB 0.372 63.580 63.200 0.013 0.000 0.942 513 S HN 0.291 nan 8.310 nan 0.000 0.531 514 D N 0.675 121.066 120.400 -0.015 0.000 3.118 514 D HA 0.210 4.845 4.640 -0.008 0.000 0.259 514 D C 0.430 176.771 176.300 0.069 0.000 1.292 514 D CA -0.363 53.653 54.000 0.027 0.000 0.784 514 D CB 0.305 41.126 40.800 0.035 0.000 1.413 514 D HN 0.115 nan 8.370 nan 0.000 0.583 515 L N 1.059 122.323 121.223 0.069 0.000 2.261 515 L HA -0.069 4.266 4.340 -0.008 0.000 0.216 515 L C 1.469 178.392 176.870 0.088 0.000 1.114 515 L CA 1.646 56.557 54.840 0.119 0.000 0.777 515 L CB -0.093 42.026 42.059 0.100 0.000 0.910 515 L HN 0.271 nan 8.230 nan 0.000 0.440 516 D N -0.839 119.588 120.400 0.045 0.000 2.265 516 D HA -0.213 4.422 4.640 -0.008 0.000 0.208 516 D C 1.905 178.225 176.300 0.034 0.000 0.977 516 D CA 0.817 54.829 54.000 0.020 0.000 0.871 516 D CB 0.046 40.845 40.800 -0.002 0.000 0.925 516 D HN 0.566 nan 8.370 nan 0.000 0.485 517 Q N -0.048 119.790 119.800 0.064 0.000 2.437 517 Q HA -0.029 4.306 4.340 -0.008 0.000 0.210 517 Q C 2.205 178.226 176.000 0.035 0.000 0.972 517 Q CA 0.175 56.017 55.803 0.064 0.000 0.903 517 Q CB 0.058 28.861 28.738 0.110 0.000 0.967 517 Q HN 0.385 nan 8.270 nan 0.000 0.486 518 L N -0.011 121.228 121.223 0.026 0.000 2.353 518 L HA -0.168 4.167 4.340 -0.008 0.000 0.220 518 L C 2.176 179.044 176.870 -0.004 0.000 1.133 518 L CA 0.813 55.635 54.840 -0.030 0.000 0.798 518 L CB -0.300 41.753 42.059 -0.010 0.000 0.922 518 L HN 0.191 nan 8.230 nan 0.000 0.445 519 R N 0.313 120.819 120.500 0.010 0.000 2.193 519 R HA -0.157 4.178 4.340 -0.008 0.000 0.229 519 R C 2.037 178.339 176.300 0.004 0.000 1.110 519 R CA 0.953 57.058 56.100 0.009 0.000 0.988 519 R CB -0.132 30.169 30.300 0.002 0.000 0.871 519 R HN 0.374 nan 8.270 nan 0.000 0.458 520 K N 0.530 120.932 120.400 0.004 0.000 2.360 520 K HA -0.085 4.230 4.320 -0.008 0.000 0.201 520 K C 1.722 178.346 176.600 0.040 0.000 1.046 520 K CA 0.754 57.046 56.287 0.007 0.000 0.945 520 K CB -0.007 32.507 32.500 0.023 0.000 0.750 520 K HN 0.224 nan 8.250 nan 0.000 0.464 521 L N 0.488 121.737 121.223 0.043 0.000 2.465 521 L HA -0.127 4.208 4.340 -0.008 0.000 0.224 521 L C 1.812 178.742 176.870 0.099 0.000 1.145 521 L CA 0.059 54.950 54.840 0.085 0.000 0.834 521 L CB -0.219 41.857 42.059 0.029 0.000 0.944 521 L HN 0.123 nan 8.230 nan 0.000 0.451 522 L N 0.050 121.295 121.223 0.038 0.000 2.191 522 L HA -0.171 4.164 4.340 -0.008 0.000 0.212 522 L C 2.613 179.460 176.870 -0.038 0.000 1.103 522 L CA 1.798 56.648 54.840 0.017 0.000 0.769 522 L CB -0.738 41.319 42.059 -0.003 0.000 0.908 522 L HN 0.337 nan 8.230 nan 0.000 0.438 523 S N -2.831 112.786 115.700 -0.140 0.000 2.650 523 S HA -0.033 4.432 4.470 -0.008 0.000 0.219 523 S C 1.057 175.376 174.600 -0.468 0.000 0.960 523 S CA 0.127 58.145 58.200 -0.303 0.000 0.925 523 S CB -0.467 62.490 63.200 -0.405 0.000 0.775 523 S HN 0.441 nan 8.310 nan 0.000 0.525 524 Y N -0.649 119.591 120.300 -0.100 0.000 2.527 524 Y HA 0.420 4.968 4.550 -0.004 0.000 0.247 524 Y C 1.866 177.808 175.900 0.071 0.000 1.138 524 Y CA -0.700 57.339 58.100 -0.100 0.000 1.228 524 Y CB 0.166 38.369 38.460 -0.428 0.000 1.252 524 Y HN 0.264 nan 8.280 nan 0.000 0.531 525 V N 0.462 120.477 119.914 0.169 0.000 2.688 525 V HA -0.220 3.895 4.120 -0.008 0.000 0.256 525 V C 0.885 177.055 176.094 0.126 0.000 1.084 525 V CA 2.308 64.705 62.300 0.161 0.000 1.103 525 V CB -0.010 31.866 31.823 0.087 0.000 0.688 525 V HN 0.315 nan 8.190 nan 0.000 0.480 526 D N -0.716 119.740 120.400 0.094 0.000 2.395 526 D HA 0.127 4.762 4.640 -0.008 0.000 0.213 526 D C 0.298 176.653 176.300 0.091 0.000 1.110 526 D CA 0.008 54.050 54.000 0.070 0.000 0.835 526 D CB 0.096 40.914 40.800 0.030 0.000 0.965 526 D HN 0.434 nan 8.370 nan 0.000 0.505 527 D N 1.328 121.821 120.400 0.155 0.000 2.352 527 D HA -0.012 4.623 4.640 -0.008 0.000 0.245 527 D C 1.238 177.645 176.300 0.179 0.000 1.224 527 D CA -0.043 54.068 54.000 0.185 0.000 0.879 527 D CB 1.350 42.335 40.800 0.308 0.000 1.057 527 D HN -0.221 nan 8.370 nan 0.000 0.491 528 E N 3.146 123.414 120.200 0.114 0.000 2.118 528 E HA -0.177 4.168 4.350 -0.008 0.000 0.195 528 E C 1.711 178.362 176.600 0.086 0.000 0.992 528 E CA 1.504 57.954 56.400 0.083 0.000 0.804 528 E CB -0.020 29.713 29.700 0.054 0.000 0.741 528 E HN 0.592 nan 8.360 nan 0.000 0.458 529 A N -0.357 122.529 122.820 0.110 0.000 1.873 529 A HA -0.141 4.174 4.320 -0.008 0.000 0.215 529 A C 2.232 179.896 177.584 0.132 0.000 1.186 529 A CA 1.332 53.429 52.037 0.100 0.000 0.616 529 A CB -0.976 18.085 19.000 0.101 0.000 0.823 529 A HN 0.439 nan 8.150 nan 0.000 0.442 530 F N 0.481 120.434 119.950 0.005 0.000 2.102 530 F HA -0.163 4.359 4.527 -0.007 0.000 0.298 530 F C 2.074 177.872 175.800 -0.004 0.000 1.105 530 F CA 1.631 59.616 58.000 -0.025 0.000 1.239 530 F CB -0.109 38.877 39.000 -0.022 0.000 0.991 530 F HN 0.163 nan 8.300 nan 0.000 0.474 531 I N 0.161 120.754 120.570 0.039 0.000 2.194 531 I HA -0.358 3.807 4.170 -0.008 0.000 0.246 531 I C 2.559 178.617 176.117 -0.099 0.000 1.093 531 I CA 1.677 62.944 61.300 -0.056 0.000 1.355 531 I CB -0.522 37.496 38.000 0.030 0.000 1.046 531 I HN 0.127 nan 8.210 nan 0.000 0.413 532 R N 0.887 121.356 120.500 -0.053 0.000 2.075 532 R HA -0.171 4.164 4.340 -0.008 0.000 0.232 532 R C 1.891 178.137 176.300 -0.089 0.000 1.126 532 R CA 1.724 57.792 56.100 -0.054 0.000 0.963 532 R CB -0.089 30.199 30.300 -0.020 0.000 0.858 532 R HN 0.283 nan 8.270 nan 0.000 0.435 533 D N -0.247 120.081 120.400 -0.119 0.000 2.117 533 D HA -0.124 4.511 4.640 -0.008 0.000 0.198 533 D C 1.937 178.111 176.300 -0.210 0.000 0.982 533 D CA 1.218 55.135 54.000 -0.137 0.000 0.828 533 D CB -0.185 40.551 40.800 -0.108 0.000 0.967 533 D HN 0.084 nan 8.370 nan 0.000 0.464 534 V N 1.573 121.266 119.914 -0.369 0.000 2.287 534 V HA -0.257 3.858 4.120 -0.008 0.000 0.248 534 V C 2.544 178.541 176.094 -0.162 0.000 1.053 534 V CA 1.945 64.039 62.300 -0.343 0.000 1.027 534 V CB -0.808 30.734 31.823 -0.469 0.000 0.646 534 V HN 0.189 nan 8.190 nan 0.000 0.447 535 A N -0.604 122.140 122.820 -0.126 0.000 1.972 535 A HA -0.247 4.068 4.320 -0.008 0.000 0.219 535 A C 2.351 179.896 177.584 -0.066 0.000 1.169 535 A CA 2.074 54.071 52.037 -0.067 0.000 0.635 535 A CB -0.451 18.514 19.000 -0.058 0.000 0.810 535 A HN 0.533 nan 8.150 nan 0.000 0.446 536 K N -0.246 120.111 120.400 -0.072 0.000 2.057 536 K HA -0.059 4.256 4.320 -0.008 0.000 0.206 536 K C 1.798 178.369 176.600 -0.047 0.000 1.050 536 K CA 1.409 57.663 56.287 -0.055 0.000 0.935 536 K CB -0.213 32.257 32.500 -0.050 0.000 0.715 536 K HN 0.230 nan 8.250 nan 0.000 0.439 537 V N 1.770 121.651 119.914 -0.055 0.000 2.343 537 V HA -0.246 3.869 4.120 -0.008 0.000 0.247 537 V C 2.365 178.443 176.094 -0.026 0.000 1.051 537 V CA 1.987 64.264 62.300 -0.038 0.000 1.036 537 V CB -0.460 31.335 31.823 -0.047 0.000 0.654 537 V HN 0.344 nan 8.190 nan 0.000 0.451 538 K N 0.539 120.921 120.400 -0.030 0.000 2.026 538 K HA -0.229 4.086 4.320 -0.008 0.000 0.208 538 K C 2.172 178.746 176.600 -0.043 0.000 1.048 538 K CA 1.838 58.114 56.287 -0.019 0.000 0.929 538 K CB -0.527 31.975 32.500 0.003 0.000 0.713 538 K HN 0.384 nan 8.250 nan 0.000 0.439 539 Q N 1.034 120.801 119.800 -0.055 0.000 2.096 539 Q HA -0.138 4.197 4.340 -0.008 0.000 0.204 539 Q C 1.682 177.660 176.000 -0.036 0.000 0.982 539 Q CA 2.082 57.844 55.803 -0.068 0.000 0.850 539 Q CB -0.114 28.588 28.738 -0.061 0.000 0.901 539 Q HN 0.532 nan 8.270 nan 0.000 0.422 540 E N -0.515 119.675 120.200 -0.016 0.000 2.077 540 E HA -0.159 4.186 4.350 -0.008 0.000 0.193 540 E C 1.791 178.413 176.600 0.036 0.000 0.989 540 E CA 0.997 57.403 56.400 0.009 0.000 0.800 540 E CB -0.102 29.601 29.700 0.005 0.000 0.746 540 E HN 0.416 nan 8.360 nan 0.000 0.452 541 N N 1.071 119.790 118.700 0.031 0.000 2.166 541 N HA -0.141 4.594 4.740 -0.008 0.000 0.186 541 N C 1.516 177.103 175.510 0.128 0.000 1.019 541 N CA 1.082 54.171 53.050 0.065 0.000 0.856 541 N CB -0.096 38.413 38.487 0.037 0.000 0.993 541 N HN 0.149 nan 8.380 nan 0.000 0.426 542 K N 0.569 121.011 120.400 0.070 0.000 2.097 542 K HA 0.032 4.346 4.320 -0.008 0.000 0.205 542 K C 2.111 178.844 176.600 0.221 0.000 1.050 542 K CA 0.592 56.946 56.287 0.112 0.000 0.938 542 K CB -0.116 32.186 32.500 -0.330 0.000 0.718 542 K HN 0.113 nan 8.250 nan 0.000 0.442 543 L N 1.188 122.480 121.223 0.114 0.000 2.046 543 L HA -0.190 4.145 4.340 -0.008 0.000 0.208 543 L C 2.633 179.595 176.870 0.153 0.000 1.077 543 L CA 1.295 56.205 54.840 0.116 0.000 0.747 543 L CB -0.340 41.755 42.059 0.060 0.000 0.896 543 L HN 0.171 nan 8.230 nan 0.000 0.432 544 K N -0.147 120.350 120.400 0.162 0.000 2.026 544 K HA -0.241 4.074 4.320 -0.008 0.000 0.208 544 K C 2.211 178.970 176.600 0.266 0.000 1.048 544 K CA 1.637 58.031 56.287 0.178 0.000 0.929 544 K CB -0.197 32.395 32.500 0.154 0.000 0.713 544 K HN 0.064 nan 8.250 nan 0.000 0.439 545 F N 1.279 121.324 119.950 0.159 0.000 2.186 545 F HA -0.045 4.477 4.527 -0.008 0.000 0.299 545 F C 2.008 177.954 175.800 0.243 0.000 1.090 545 F CA 1.195 59.304 58.000 0.183 0.000 1.307 545 F CB -0.533 38.573 39.000 0.177 0.000 1.019 545 F HN 0.107 nan 8.300 nan 0.000 0.489 546 A N 0.126 123.094 122.820 0.248 0.000 1.972 546 A HA -0.063 4.252 4.320 -0.008 0.000 0.219 546 A C 2.395 180.008 177.584 0.048 0.000 1.169 546 A CA 1.777 53.894 52.037 0.133 0.000 0.635 546 A CB -1.433 17.713 19.000 0.243 0.000 0.810 546 A HN 0.451 nan 8.150 nan 0.000 0.446 547 A N -1.623 121.247 122.820 0.083 0.000 1.929 547 A HA -0.010 4.305 4.320 -0.008 0.000 0.216 547 A C 2.097 179.704 177.584 0.039 0.000 1.176 547 A CA 1.439 53.507 52.037 0.051 0.000 0.628 547 A CB -0.759 18.281 19.000 0.067 0.000 0.816 547 A HN 0.725 nan 8.150 nan 0.000 0.444 548 Y N 0.803 121.061 120.300 -0.071 0.000 2.165 548 Y HA -0.184 4.362 4.550 -0.008 0.000 0.286 548 Y C 1.851 177.677 175.900 -0.123 0.000 1.155 548 Y CA 1.777 59.824 58.100 -0.089 0.000 1.164 548 Y CB -0.337 38.086 38.460 -0.062 0.000 0.978 548 Y HN 0.212 nan 8.280 nan 0.000 0.513 549 L N 0.041 121.261 121.223 -0.006 0.000 2.079 549 L HA -0.226 4.109 4.340 -0.008 0.000 0.210 549 L C 2.274 179.145 176.870 0.001 0.000 1.081 549 L CA 1.863 56.704 54.840 0.001 0.000 0.752 549 L CB -0.487 41.497 42.059 -0.124 0.000 0.896 549 L HN 0.345 nan 8.230 nan 0.000 0.433 550 E N -0.550 119.633 120.200 -0.027 0.000 2.122 550 E HA -0.110 4.234 4.350 -0.008 0.000 0.190 550 E C 2.260 178.815 176.600 -0.075 0.000 0.977 550 E CA 0.329 56.729 56.400 0.000 0.000 0.820 550 E CB 0.104 29.807 29.700 0.005 0.000 0.770 550 E HN 0.431 nan 8.360 nan 0.000 0.462 551 R N 1.072 121.478 120.500 -0.157 0.000 2.082 551 R HA -0.139 4.196 4.340 -0.008 0.000 0.228 551 R C 1.923 178.035 176.300 -0.314 0.000 1.140 551 R CA 1.451 57.423 56.100 -0.213 0.000 0.920 551 R CB -0.123 30.033 30.300 -0.239 0.000 0.828 551 R HN -0.019 nan 8.270 nan 0.000 0.430 552 E N -1.237 118.614 120.200 -0.581 0.000 2.478 552 E HA -0.031 4.314 4.350 -0.008 0.000 0.194 552 E C 0.167 176.249 176.600 -0.863 0.000 1.045 552 E CA 0.673 56.607 56.400 -0.776 0.000 0.868 552 E CB 0.454 29.470 29.700 -1.141 0.000 0.885 552 E HN 0.384 nan 8.360 nan 0.000 0.505 553 Y N -0.481 119.724 120.300 -0.159 0.000 2.666 553 Y HA 0.247 4.791 4.550 -0.009 0.000 0.260 553 Y C -0.282 175.598 175.900 -0.033 0.000 1.089 553 Y CA -0.805 57.257 58.100 -0.064 0.000 1.246 553 Y CB 0.690 39.129 38.460 -0.035 0.000 1.353 553 Y HN -0.306 nan 8.280 nan 0.000 0.558 554 K N 1.381 121.819 120.400 0.065 0.000 4.418 554 K HA -0.112 4.203 4.320 -0.008 0.000 0.285 554 K C -0.810 175.847 176.600 0.095 0.000 0.874 554 K CA 0.893 57.228 56.287 0.079 0.000 0.844 554 K CB -1.730 30.804 32.500 0.056 0.000 1.691 554 K HN 0.269 nan 8.250 nan 0.000 0.433 555 V N -1.638 118.354 119.914 0.130 0.000 2.711 555 V HA 0.415 4.530 4.120 -0.008 0.000 0.304 555 V C 0.070 176.284 176.094 0.201 0.000 1.097 555 V CA -1.003 61.350 62.300 0.090 0.000 0.906 555 V CB 1.768 33.615 31.823 0.040 0.000 1.015 555 V HN 0.464 nan 8.190 nan 0.000 0.427 556 H N 5.489 124.546 119.070 -0.021 0.000 2.548 556 H HA 0.821 5.372 4.556 -0.008 0.000 0.331 556 H C -0.139 175.176 175.328 -0.022 0.000 1.093 556 H CA -0.320 55.718 56.048 -0.017 0.000 1.367 556 H CB 2.001 31.753 29.762 -0.015 0.000 1.455 556 H HN 0.910 nan 8.280 nan 0.000 0.519 557 I N -0.237 120.403 120.570 0.117 0.000 2.827 557 I HA 0.309 4.474 4.170 -0.008 0.000 0.298 557 I C -0.988 175.198 176.117 0.116 0.000 1.235 557 I CA -1.286 60.060 61.300 0.077 0.000 1.021 557 I CB 2.326 40.336 38.000 0.018 0.000 1.259 557 I HN 0.380 nan 8.210 nan 0.000 0.427 558 N N 5.707 124.483 118.700 0.125 0.000 2.415 558 N HA 0.404 5.139 4.740 -0.008 0.000 0.246 558 N C -1.995 173.645 175.510 0.218 0.000 1.078 558 N CA -2.134 50.996 53.050 0.133 0.000 0.942 558 N CB 1.060 39.601 38.487 0.091 0.000 1.140 558 N HN 0.381 nan 8.380 nan 0.000 0.501 559 P HA -0.065 nan 4.420 nan 0.000 0.226 559 P C 0.042 177.335 177.300 -0.012 0.000 1.146 559 P CA 1.170 64.350 63.100 0.134 0.000 0.773 559 P CB 0.129 31.880 31.700 0.085 0.000 0.772 560 N N -1.221 117.501 118.700 0.037 0.000 2.422 560 N HA -0.000 4.735 4.740 -0.008 0.000 0.181 560 N C 0.492 176.031 175.510 0.048 0.000 1.080 560 N CA -0.097 52.964 53.050 0.018 0.000 0.893 560 N CB 0.057 38.564 38.487 0.034 0.000 0.973 560 N HN 0.210 nan 8.380 nan 0.000 0.456 561 S N 0.413 116.157 115.700 0.073 0.000 2.614 561 S HA 0.209 4.674 4.470 -0.008 0.000 0.265 561 S C -0.007 174.563 174.600 -0.050 0.000 1.303 561 S CA -0.872 57.357 58.200 0.049 0.000 1.000 561 S CB 1.259 64.518 63.200 0.099 0.000 0.935 561 S HN 0.169 nan 8.310 nan 0.000 0.551 562 L N 1.911 122.949 121.223 -0.308 0.000 2.360 562 L HA 0.396 4.731 4.340 -0.008 0.000 0.276 562 L C -0.946 175.901 176.870 -0.038 0.000 1.121 562 L CA -0.628 53.834 54.840 -0.630 0.000 0.845 562 L CB -0.133 41.227 42.059 -1.165 0.000 1.143 562 L HN 0.713 nan 8.230 nan 0.000 0.452 563 F N 4.255 124.075 119.950 -0.217 0.000 2.405 563 F HA 0.105 4.628 4.527 -0.007 0.000 0.358 563 F C 0.411 176.148 175.800 -0.106 0.000 1.151 563 F CA -0.835 57.108 58.000 -0.095 0.000 1.161 563 F CB 0.580 39.577 39.000 -0.005 0.000 1.245 563 F HN 0.533 nan 8.300 nan 0.000 0.545 564 D N 4.975 125.384 120.400 0.016 0.000 2.396 564 D HA 0.251 4.886 4.640 -0.008 0.000 0.225 564 D C -0.979 175.269 176.300 -0.087 0.000 1.121 564 D CA -0.062 53.900 54.000 -0.064 0.000 0.853 564 D CB 1.295 42.040 40.800 -0.090 0.000 1.043 564 D HN 0.271 nan 8.370 nan 0.000 0.500 565 V N 2.260 122.103 119.914 -0.117 0.000 2.735 565 V HA 0.604 4.719 4.120 -0.008 0.000 0.310 565 V C -1.321 174.631 176.094 -0.237 0.000 1.061 565 V CA -0.724 61.491 62.300 -0.142 0.000 0.913 565 V CB 1.941 33.738 31.823 -0.044 0.000 1.005 565 V HN 0.499 nan 8.190 nan 0.000 0.428 566 Q N 3.999 123.675 119.800 -0.207 0.000 2.397 566 Q HA 0.660 4.995 4.340 -0.008 0.000 0.260 566 Q C -1.464 174.379 176.000 -0.262 0.000 1.002 566 Q CA -0.626 55.041 55.803 -0.226 0.000 0.716 566 Q CB 1.906 30.537 28.738 -0.179 0.000 1.258 566 Q HN 1.199 nan 8.270 nan 0.000 0.477 567 V N 1.745 121.491 119.914 -0.280 0.000 2.487 567 V HA 0.872 4.986 4.120 -0.008 0.000 0.298 567 V C -0.865 174.953 176.094 -0.460 0.000 1.028 567 V CA -0.542 61.402 62.300 -0.593 0.000 0.860 567 V CB 1.290 32.526 31.823 -0.979 0.000 0.991 567 V HN 0.821 nan 8.190 nan 0.000 0.427 568 K N 2.455 122.624 120.400 -0.386 0.000 3.040 568 K HA 0.386 4.701 4.320 -0.008 0.000 0.300 568 K C -1.289 175.307 176.600 -0.006 0.000 1.092 568 K CA -1.151 55.094 56.287 -0.070 0.000 0.831 568 K CB 0.860 33.314 32.500 -0.077 0.000 1.469 568 K HN 0.471 nan 8.250 nan 0.000 0.365 569 R N 0.866 121.416 120.500 0.083 0.000 2.698 569 R HA 0.163 4.498 4.340 -0.008 0.000 0.266 569 R C 0.383 176.706 176.300 0.039 0.000 1.026 569 R CA -0.296 55.866 56.100 0.103 0.000 1.102 569 R CB -0.168 30.220 30.300 0.146 0.000 0.978 569 R HN 0.462 nan 8.270 nan 0.000 0.436 570 I N 3.956 124.558 120.570 0.053 0.000 2.452 570 I HA 0.110 4.275 4.170 -0.008 0.000 0.287 570 I C 0.728 176.826 176.117 -0.031 0.000 1.079 570 I CA 0.514 61.798 61.300 -0.026 0.000 1.387 570 I CB -0.251 37.719 38.000 -0.049 0.000 1.404 570 I HN 0.359 nan 8.210 nan 0.000 0.522 571 H N 5.131 124.094 119.070 -0.179 0.000 3.079 571 H HA 0.223 4.774 4.556 -0.008 0.000 0.356 571 H C 0.354 175.561 175.328 -0.202 0.000 1.221 571 H CA -0.377 55.611 56.048 -0.100 0.000 1.185 571 H CB 1.841 31.549 29.762 -0.089 0.000 1.882 571 H HN 0.595 nan 8.280 nan 0.000 0.543 572 E N 1.979 122.254 120.200 0.124 0.000 2.110 572 E HA -0.223 4.122 4.350 -0.008 0.000 0.193 572 E C 1.304 177.734 176.600 -0.284 0.000 0.988 572 E CA 1.685 58.121 56.400 0.061 0.000 0.804 572 E CB -0.036 29.862 29.700 0.329 0.000 0.745 572 E HN 0.575 nan 8.360 nan 0.000 0.458 573 Y N 0.878 120.797 120.300 -0.635 0.000 2.421 573 Y HA 0.000 4.545 4.550 -0.009 0.000 0.292 573 Y C 1.492 177.113 175.900 -0.465 0.000 1.136 573 Y CA 0.782 58.179 58.100 -1.172 0.000 1.255 573 Y CB -0.091 37.678 38.460 -1.152 0.000 0.991 573 Y HN -0.210 nan 8.280 nan 0.000 0.552 574 K N 0.772 120.686 120.400 -0.810 0.000 2.432 574 K HA 0.071 4.386 4.320 -0.008 0.000 0.196 574 K C 0.114 176.539 176.600 -0.292 0.000 1.038 574 K CA 0.475 56.412 56.287 -0.583 0.000 0.986 574 K CB -0.039 32.108 32.500 -0.587 0.000 0.782 574 K HN 0.245 nan 8.250 nan 0.000 0.485 575 R N 0.521 120.881 120.500 -0.233 0.000 3.336 575 R HA -0.230 4.105 4.340 -0.008 0.000 0.260 575 R C 0.231 176.454 176.300 -0.127 0.000 1.032 575 R CA 0.176 56.193 56.100 -0.138 0.000 0.693 575 R CB -1.834 28.403 30.300 -0.105 0.000 1.134 575 R HN 0.291 nan 8.270 nan 0.000 0.433 576 Q N 0.323 120.046 119.800 -0.128 0.000 2.291 576 Q HA -0.030 4.305 4.340 -0.008 0.000 0.206 576 Q C 2.021 177.973 176.000 -0.079 0.000 0.976 576 Q CA 1.299 57.039 55.803 -0.105 0.000 0.875 576 Q CB 0.053 28.732 28.738 -0.098 0.000 0.927 576 Q HN 0.583 nan 8.270 nan 0.000 0.450 577 L N -0.603 120.576 121.223 -0.073 0.000 2.083 577 L HA -0.180 4.155 4.340 -0.008 0.000 0.209 577 L C 1.991 178.863 176.870 0.003 0.000 1.083 577 L CA 0.559 55.371 54.840 -0.048 0.000 0.752 577 L CB -0.351 41.690 42.059 -0.030 0.000 0.899 577 L HN 0.310 nan 8.230 nan 0.000 0.433 578 L N -0.004 121.215 121.223 -0.007 0.000 2.093 578 L HA -0.224 4.111 4.340 -0.008 0.000 0.208 578 L C 2.012 178.939 176.870 0.096 0.000 1.085 578 L CA 1.857 56.709 54.840 0.019 0.000 0.755 578 L CB -0.817 41.148 42.059 -0.156 0.000 0.904 578 L HN 0.283 nan 8.230 nan 0.000 0.435 579 N N -1.695 117.027 118.700 0.037 0.000 2.120 579 N HA -0.226 4.508 4.740 -0.008 0.000 0.188 579 N C 1.937 177.531 175.510 0.140 0.000 1.024 579 N CA 1.559 54.706 53.050 0.162 0.000 0.852 579 N CB -0.134 38.378 38.487 0.042 0.000 1.003 579 N HN 0.487 nan 8.380 nan 0.000 0.424 580 C N 0.608 119.925 119.300 0.028 0.000 2.413 580 C HA -0.075 4.380 4.460 -0.008 0.000 0.276 580 C C 2.599 177.581 174.990 -0.013 0.000 1.248 580 C CA 0.380 59.368 59.018 -0.051 0.000 1.742 580 C CB -1.261 26.395 27.740 -0.139 0.000 2.017 580 C HN 0.512 nan 8.230 nan 0.000 0.481 581 L N -0.334 120.941 121.223 0.087 0.000 2.046 581 L HA -0.202 4.133 4.340 -0.008 0.000 0.208 581 L C 2.782 179.795 176.870 0.239 0.000 1.077 581 L CA 1.815 56.751 54.840 0.160 0.000 0.747 581 L CB -1.030 41.193 42.059 0.273 0.000 0.896 581 L HN 0.590 nan 8.230 nan 0.000 0.432 582 H N -0.102 119.079 119.070 0.185 0.000 2.357 582 H HA -0.128 4.423 4.556 -0.008 0.000 0.301 582 H C 2.231 177.551 175.328 -0.013 0.000 1.082 582 H CA 1.849 57.926 56.048 0.048 0.000 1.342 582 H CB 0.315 30.034 29.762 -0.072 0.000 1.389 582 H HN 0.094 nan 8.280 nan 0.000 0.511 583 V N 1.669 121.503 119.914 -0.133 0.000 2.287 583 V HA -0.282 3.833 4.120 -0.008 0.000 0.248 583 V C 2.854 178.872 176.094 -0.127 0.000 1.053 583 V CA 1.947 64.135 62.300 -0.186 0.000 1.027 583 V CB -0.529 31.231 31.823 -0.105 0.000 0.646 583 V HN 0.394 nan 8.190 nan 0.000 0.447 584 I N -0.204 120.323 120.570 -0.071 0.000 2.361 584 I HA -0.218 3.947 4.170 -0.008 0.000 0.251 584 I C 2.482 178.633 176.117 0.058 0.000 1.133 584 I CA 1.668 62.986 61.300 0.030 0.000 1.413 584 I CB -0.700 37.301 38.000 0.001 0.000 1.073 584 I HN 0.332 nan 8.210 nan 0.000 0.424 585 T N 1.218 115.763 114.554 -0.015 0.000 2.708 585 T HA -0.141 4.204 4.350 -0.008 0.000 0.266 585 T C 1.886 176.524 174.700 -0.102 0.000 1.037 585 T CA 1.193 63.278 62.100 -0.026 0.000 1.146 585 T CB -0.247 68.626 68.868 0.009 0.000 0.865 585 T HN 0.085 nan 8.240 nan 0.000 0.435 586 L N 0.132 121.223 121.223 -0.220 0.000 2.042 586 L HA -0.030 4.305 4.340 -0.008 0.000 0.210 586 L C 2.098 178.919 176.870 -0.081 0.000 1.076 586 L CA 1.577 56.291 54.840 -0.210 0.000 0.749 586 L CB -0.944 40.926 42.059 -0.316 0.000 0.893 586 L HN 0.368 nan 8.230 nan 0.000 0.432 587 Y N 0.050 120.277 120.300 -0.122 0.000 2.200 587 Y HA -0.258 4.287 4.550 -0.009 0.000 0.290 587 Y C 2.424 178.292 175.900 -0.052 0.000 1.137 587 Y CA 1.723 59.789 58.100 -0.057 0.000 1.163 587 Y CB -0.075 38.391 38.460 0.011 0.000 0.988 587 Y HN 0.263 nan 8.280 nan 0.000 0.518 588 N N 0.495 119.138 118.700 -0.094 0.000 2.166 588 N HA -0.139 4.596 4.740 -0.008 0.000 0.186 588 N C 1.824 177.215 175.510 -0.199 0.000 1.019 588 N CA 1.478 54.413 53.050 -0.192 0.000 0.856 588 N CB -0.358 38.076 38.487 -0.088 0.000 0.993 588 N HN 0.438 nan 8.380 nan 0.000 0.426 589 R N 0.459 120.870 120.500 -0.149 0.000 2.096 589 R HA 0.055 4.390 4.340 -0.008 0.000 0.235 589 R C 2.226 178.436 176.300 -0.150 0.000 1.127 589 R CA 0.791 56.813 56.100 -0.130 0.000 0.968 589 R CB -0.259 29.975 30.300 -0.110 0.000 0.861 589 R HN 0.249 nan 8.270 nan 0.000 0.440 590 I N 0.937 121.395 120.570 -0.186 0.000 2.252 590 I HA -0.259 3.906 4.170 -0.008 0.000 0.245 590 I C 2.058 178.053 176.117 -0.203 0.000 1.102 590 I CA 1.170 62.361 61.300 -0.181 0.000 1.385 590 I CB -0.185 37.708 38.000 -0.179 0.000 1.064 590 I HN 0.044 nan 8.210 nan 0.000 0.414 591 K N 0.887 121.103 120.400 -0.307 0.000 2.211 591 K HA -0.187 4.128 4.320 -0.008 0.000 0.203 591 K C 1.990 178.492 176.600 -0.164 0.000 1.050 591 K CA 1.073 57.197 56.287 -0.272 0.000 0.945 591 K CB -0.273 31.992 32.500 -0.392 0.000 0.732 591 K HN 0.337 nan 8.250 nan 0.000 0.451 592 K N 1.189 121.498 120.400 -0.150 0.000 2.116 592 K HA -0.073 4.242 4.320 -0.008 0.000 0.203 592 K C 0.023 176.576 176.600 -0.078 0.000 1.052 592 K CA 1.017 57.243 56.287 -0.102 0.000 0.952 592 K CB 0.372 32.816 32.500 -0.094 0.000 0.729 592 K HN 0.055 nan 8.250 nan 0.000 0.446 593 E N 0.201 120.353 120.200 -0.081 0.000 3.374 593 E HA 0.120 4.465 4.350 -0.008 0.000 0.223 593 E C -2.357 174.207 176.600 -0.060 0.000 1.210 593 E CA -1.607 54.759 56.400 -0.058 0.000 0.987 593 E CB 1.722 31.394 29.700 -0.047 0.000 1.322 593 E HN 0.110 nan 8.360 nan 0.000 0.404 594 P HA -0.192 nan 4.420 nan 0.000 0.216 594 P C 0.217 177.498 177.300 -0.032 0.000 1.154 594 P CA 1.368 64.435 63.100 -0.055 0.000 0.865 594 P CB 0.152 31.825 31.700 -0.046 0.000 0.789 595 N N -1.178 117.512 118.700 -0.016 0.000 2.322 595 N HA 0.012 4.747 4.740 -0.008 0.000 0.216 595 N C 0.400 175.925 175.510 0.025 0.000 1.144 595 N CA -0.009 53.045 53.050 0.006 0.000 0.830 595 N CB -0.072 38.420 38.487 0.008 0.000 1.034 595 N HN 0.033 nan 8.380 nan 0.000 0.484 596 K N 1.168 121.576 120.400 0.013 0.000 2.159 596 K HA 0.176 4.491 4.320 -0.008 0.000 0.266 596 K C -0.979 175.656 176.600 0.058 0.000 0.975 596 K CA -0.642 55.667 56.287 0.037 0.000 0.865 596 K CB 0.714 33.216 32.500 0.003 0.000 1.087 596 K HN -0.032 nan 8.250 nan 0.000 0.446 597 F N 4.501 124.437 119.950 -0.023 0.000 2.484 597 F HA 0.243 4.765 4.527 -0.009 0.000 0.360 597 F C -0.375 175.410 175.800 -0.024 0.000 1.101 597 F CA -0.022 57.965 58.000 -0.020 0.000 1.251 597 F CB 0.650 39.641 39.000 -0.015 0.000 1.132 597 F HN 0.199 nan 8.300 nan 0.000 0.570 598 V N 4.054 123.340 119.914 -1.048 0.000 2.888 598 V HA 0.523 4.637 4.120 -0.008 0.000 0.309 598 V C -0.893 174.596 176.094 -1.009 0.000 1.114 598 V CA -1.222 60.630 62.300 -0.746 0.000 0.940 598 V CB 0.904 32.505 31.823 -0.371 0.000 1.021 598 V HN 0.594 nan 8.190 nan 0.000 0.426 599 V N 4.630 124.221 119.914 -0.538 0.000 2.493 599 V HA 0.196 4.311 4.120 -0.008 0.000 0.292 599 V C -1.830 174.106 176.094 -0.264 0.000 1.016 599 V CA -0.425 61.698 62.300 -0.294 0.000 1.097 599 V CB 0.418 32.192 31.823 -0.083 0.000 0.947 599 V HN 0.900 nan 8.190 nan 0.000 0.479 600 P HA 0.296 nan 4.420 nan 0.000 0.268 600 P C -0.360 176.858 177.300 -0.137 0.000 1.205 600 P CA 0.058 63.076 63.100 -0.136 0.000 0.771 600 P CB 0.506 32.173 31.700 -0.054 0.000 0.858 601 R N 1.154 121.587 120.500 -0.112 0.000 2.725 601 R HA 0.579 4.914 4.340 -0.008 0.000 0.277 601 R C -0.893 175.375 176.300 -0.053 0.000 0.987 601 R CA -0.652 55.385 56.100 -0.106 0.000 0.901 601 R CB 2.098 32.319 30.300 -0.131 0.000 1.207 601 R HN 0.277 nan 8.270 nan 0.000 0.463 602 T N 1.885 116.422 114.554 -0.028 0.000 2.864 602 T HA 0.244 4.589 4.350 -0.008 0.000 0.310 602 T C -0.450 174.179 174.700 -0.119 0.000 1.040 602 T CA -0.468 61.582 62.100 -0.084 0.000 0.977 602 T CB 1.179 69.942 68.868 -0.175 0.000 0.976 602 T HN 0.139 nan 8.240 nan 0.000 0.459 603 V N 5.841 125.692 119.914 -0.105 0.000 2.385 603 V HA 0.426 4.540 4.120 -0.008 0.000 0.269 603 V C 0.084 176.108 176.094 -0.115 0.000 1.043 603 V CA -0.374 61.868 62.300 -0.098 0.000 0.906 603 V CB 0.700 32.480 31.823 -0.072 0.000 0.995 603 V HN 0.846 nan 8.190 nan 0.000 0.467 604 M N 6.656 126.178 119.600 -0.131 0.000 2.243 604 M HA 0.612 5.087 4.480 -0.008 0.000 0.324 604 M C -0.986 175.212 176.300 -0.170 0.000 1.031 604 M CA -0.156 55.057 55.300 -0.146 0.000 0.949 604 M CB 1.944 34.461 32.600 -0.140 0.000 1.615 604 M HN 0.426 nan 8.290 nan 0.000 0.430 605 I N 1.945 122.392 120.570 -0.206 0.000 2.498 605 I HA 0.819 4.984 4.170 -0.008 0.000 0.290 605 I C 0.052 175.838 176.117 -0.551 0.000 1.032 605 I CA -0.641 60.507 61.300 -0.254 0.000 1.073 605 I CB 2.288 40.227 38.000 -0.101 0.000 1.251 605 I HN 0.799 nan 8.210 nan 0.000 0.426 606 G N 2.981 111.429 108.800 -0.586 0.000 2.690 606 G HA2 0.838 4.793 3.960 -0.008 0.000 0.293 606 G HA3 0.838 4.793 3.960 -0.008 0.000 0.293 606 G C -1.013 173.600 174.900 -0.478 0.000 1.399 606 G CA -0.768 43.841 45.100 -0.818 0.000 0.890 606 G HN 0.990 nan 8.290 nan 0.000 0.485 607 G N -0.401 108.273 108.800 -0.211 0.000 2.329 607 G HA2 0.402 4.357 3.960 -0.008 0.000 0.308 607 G HA3 0.402 4.357 3.960 -0.008 0.000 0.308 607 G C -1.249 173.789 174.900 0.231 0.000 1.587 607 G CA -1.023 44.117 45.100 0.068 0.000 0.978 607 G HN 0.608 nan 8.290 nan 0.000 0.685 608 K N -0.156 120.375 120.400 0.220 0.000 2.098 608 K HA 0.771 5.086 4.320 -0.008 0.000 0.258 608 K C 0.221 176.966 176.600 0.241 0.000 0.973 608 K CA -0.208 56.227 56.287 0.246 0.000 0.898 608 K CB 2.049 34.596 32.500 0.078 0.000 1.057 608 K HN 0.890 nan 8.250 nan 0.000 0.447 609 A N 1.262 124.259 122.820 0.296 0.000 2.337 609 A HA 0.649 4.964 4.320 -0.008 0.000 0.329 609 A C -0.533 177.232 177.584 0.302 0.000 1.146 609 A CA -0.762 51.391 52.037 0.193 0.000 0.800 609 A CB 1.120 20.147 19.000 0.045 0.000 1.220 609 A HN 0.768 nan 8.150 nan 0.000 0.472 610 A N 3.459 126.445 122.820 0.277 0.000 2.511 610 A HA 0.468 4.783 4.320 -0.008 0.000 0.242 610 A C -1.415 176.259 177.584 0.149 0.000 1.069 610 A CA -0.755 51.445 52.037 0.272 0.000 0.763 610 A CB -0.375 18.763 19.000 0.230 0.000 1.001 610 A HN 0.598 nan 8.150 nan 0.000 0.498 611 P HA -0.151 nan 4.420 nan 0.000 0.217 611 P C 1.283 178.574 177.300 -0.014 0.000 1.151 611 P CA 2.020 65.066 63.100 -0.089 0.000 0.849 611 P CB 0.207 31.800 31.700 -0.179 0.000 0.787 612 G N -3.068 105.746 108.800 0.024 0.000 3.284 612 G HA2 -0.062 3.893 3.960 -0.008 0.000 0.236 612 G HA3 -0.062 3.893 3.960 -0.008 0.000 0.236 612 G C -0.306 174.621 174.900 0.045 0.000 1.158 612 G CA -0.103 45.011 45.100 0.023 0.000 0.774 612 G HN 0.308 nan 8.290 nan 0.000 0.545 613 Y N 1.561 121.801 120.300 -0.100 0.000 2.751 613 Y HA 0.210 4.754 4.550 -0.009 0.000 0.333 613 Y C 1.608 177.484 175.900 -0.042 0.000 1.122 613 Y CA -1.121 56.896 58.100 -0.138 0.000 1.367 613 Y CB 0.162 38.507 38.460 -0.192 0.000 1.242 613 Y HN 0.307 nan 8.280 nan 0.000 0.505 614 H N 4.100 123.281 119.070 0.186 0.000 2.289 614 H HA -0.233 4.318 4.556 -0.008 0.000 0.296 614 H C 1.827 177.180 175.328 0.042 0.000 1.091 614 H CA 2.459 58.562 56.048 0.092 0.000 1.274 614 H CB 0.338 30.149 29.762 0.082 0.000 1.364 614 H HN 0.727 nan 8.280 nan 0.000 0.490 615 M N 1.059 120.660 119.600 0.002 0.000 2.149 615 M HA -0.093 4.381 4.480 -0.008 0.000 0.261 615 M C 2.519 178.582 176.300 -0.395 0.000 1.064 615 M CA 1.837 57.048 55.300 -0.149 0.000 1.102 615 M CB -0.732 31.915 32.600 0.078 0.000 1.369 615 M HN 0.351 nan 8.290 nan 0.000 0.408 616 A N -0.438 121.914 122.820 -0.780 0.000 1.902 616 A HA -0.185 4.130 4.320 -0.008 0.000 0.217 616 A C 2.206 179.580 177.584 -0.351 0.000 1.181 616 A CA 1.845 53.434 52.037 -0.746 0.000 0.623 616 A CB -0.629 17.706 19.000 -1.107 0.000 0.818 616 A HN 0.583 nan 8.150 nan 0.000 0.443 617 K N -1.096 119.151 120.400 -0.255 0.000 2.148 617 K HA -0.030 4.285 4.320 -0.008 0.000 0.204 617 K C 1.878 178.422 176.600 -0.094 0.000 1.050 617 K CA 1.165 57.388 56.287 -0.107 0.000 0.942 617 K CB -0.187 32.308 32.500 -0.009 0.000 0.724 617 K HN 0.351 nan 8.250 nan 0.000 0.446 618 M N 0.403 119.896 119.600 -0.177 0.000 2.254 618 M HA -0.060 4.415 4.480 -0.008 0.000 0.265 618 M C 2.047 178.280 176.300 -0.111 0.000 1.066 618 M CA 1.331 56.573 55.300 -0.097 0.000 1.123 618 M CB -0.514 32.012 32.600 -0.124 0.000 1.388 618 M HN 0.129 nan 8.290 nan 0.000 0.425 619 I N -0.240 120.225 120.570 -0.174 0.000 2.315 619 I HA -0.275 3.890 4.170 -0.008 0.000 0.248 619 I C 2.258 178.246 176.117 -0.215 0.000 1.117 619 I CA 0.938 62.126 61.300 -0.187 0.000 1.404 619 I CB -0.232 37.657 38.000 -0.184 0.000 1.071 619 I HN 0.167 nan 8.210 nan 0.000 0.419 620 I N 0.698 121.125 120.570 -0.239 0.000 2.226 620 I HA -0.291 3.874 4.170 -0.008 0.000 0.245 620 I C 2.592 178.438 176.117 -0.451 0.000 1.100 620 I CA 1.199 62.270 61.300 -0.381 0.000 1.374 620 I CB -0.287 37.466 38.000 -0.413 0.000 1.057 620 I HN 0.144 nan 8.210 nan 0.000 0.413 621 K N 1.580 121.731 120.400 -0.415 0.000 2.097 621 K HA -0.150 4.165 4.320 -0.008 0.000 0.206 621 K C 2.037 178.473 176.600 -0.273 0.000 1.049 621 K CA 1.475 57.438 56.287 -0.541 0.000 0.933 621 K CB -0.554 31.374 32.500 -0.953 0.000 0.717 621 K HN 0.234 nan 8.250 nan 0.000 0.442 622 L N 0.340 121.418 121.223 -0.241 0.000 2.046 622 L HA -0.155 4.180 4.340 -0.008 0.000 0.208 622 L C 2.167 178.779 176.870 -0.429 0.000 1.077 622 L CA 1.629 56.137 54.840 -0.554 0.000 0.747 622 L CB -0.263 41.392 42.059 -0.673 0.000 0.896 622 L HN 0.267 nan 8.230 nan 0.000 0.432 623 I N -0.159 120.222 120.570 -0.316 0.000 2.163 623 I HA -0.331 3.834 4.170 -0.008 0.000 0.243 623 I C 2.604 178.608 176.117 -0.187 0.000 1.085 623 I CA 1.949 63.118 61.300 -0.218 0.000 1.347 623 I CB -0.601 37.353 38.000 -0.077 0.000 1.044 623 I HN 0.425 nan 8.210 nan 0.000 0.408 624 T N -0.837 113.581 114.554 -0.228 0.000 2.867 624 T HA -0.046 4.299 4.350 -0.008 0.000 0.268 624 T C 1.968 176.593 174.700 -0.124 0.000 1.057 624 T CA 0.895 62.894 62.100 -0.169 0.000 1.136 624 T CB -0.433 68.292 68.868 -0.238 0.000 0.874 624 T HN 0.344 nan 8.240 nan 0.000 0.466 625 A N 1.604 124.343 122.820 -0.135 0.000 1.898 625 A HA 0.146 4.461 4.320 -0.008 0.000 0.216 625 A C 2.377 179.952 177.584 -0.016 0.000 1.181 625 A CA 1.236 53.260 52.037 -0.022 0.000 0.620 625 A CB -0.798 18.281 19.000 0.133 0.000 0.819 625 A HN 0.584 nan 8.150 nan 0.000 0.442 626 I N -0.350 120.094 120.570 -0.211 0.000 2.226 626 I HA -0.189 3.976 4.170 -0.008 0.000 0.245 626 I C 2.688 178.749 176.117 -0.093 0.000 1.100 626 I CA 1.096 62.230 61.300 -0.277 0.000 1.374 626 I CB -0.607 37.118 38.000 -0.459 0.000 1.057 626 I HN 0.399 nan 8.210 nan 0.000 0.413 627 G N 0.426 109.179 108.800 -0.077 0.000 2.418 627 G HA2 -0.243 3.711 3.960 -0.008 0.000 0.217 627 G HA3 -0.243 3.711 3.960 -0.008 0.000 0.217 627 G C 1.241 176.178 174.900 0.061 0.000 1.158 627 G CA 0.837 45.924 45.100 -0.022 0.000 0.771 627 G HN 0.273 nan 8.290 nan 0.000 0.545 628 D N 0.082 120.520 120.400 0.064 0.000 2.149 628 D HA -0.090 4.545 4.640 -0.008 0.000 0.198 628 D C 2.692 179.070 176.300 0.129 0.000 0.990 628 D CA 0.716 54.770 54.000 0.089 0.000 0.839 628 D CB -0.188 40.602 40.800 -0.016 0.000 0.948 628 D HN 0.249 nan 8.370 nan 0.000 0.460 629 V N 0.102 120.070 119.914 0.090 0.000 2.331 629 V HA -0.129 3.986 4.120 -0.008 0.000 0.242 629 V C 2.582 178.680 176.094 0.006 0.000 1.034 629 V CA 0.729 63.054 62.300 0.041 0.000 1.027 629 V CB -0.245 31.621 31.823 0.071 0.000 0.667 629 V HN 0.027 nan 8.190 nan 0.000 0.457 630 V N 1.019 120.881 119.914 -0.087 0.000 2.343 630 V HA -0.196 3.919 4.120 -0.008 0.000 0.247 630 V C 2.104 178.210 176.094 0.021 0.000 1.051 630 V CA 1.969 64.206 62.300 -0.105 0.000 1.036 630 V CB -0.853 30.889 31.823 -0.136 0.000 0.654 630 V HN 0.575 nan 8.190 nan 0.000 0.451 631 N N -0.302 118.398 118.700 0.001 0.000 2.550 631 N HA -0.079 4.656 4.740 -0.008 0.000 0.186 631 N C 1.108 176.428 175.510 -0.317 0.000 1.110 631 N CA 0.809 53.775 53.050 -0.141 0.000 0.912 631 N CB -0.227 38.133 38.487 -0.212 0.000 0.968 631 N HN 0.659 nan 8.380 nan 0.000 0.448 632 H N -1.290 117.783 119.070 0.004 0.000 2.674 632 H HA 0.207 4.758 4.556 -0.008 0.000 0.274 632 H C -0.523 174.823 175.328 0.030 0.000 1.121 632 H CA -0.510 55.542 56.048 0.006 0.000 1.132 632 H CB 0.516 30.271 29.762 -0.012 0.000 1.606 632 H HN 0.001 nan 8.280 nan 0.000 0.558 633 D N 1.580 122.066 120.400 0.142 0.000 2.339 633 D HA 0.057 4.692 4.640 -0.008 0.000 0.241 633 D C -1.640 174.719 176.300 0.099 0.000 1.183 633 D CA -1.991 52.102 54.000 0.155 0.000 0.859 633 D CB 1.687 42.660 40.800 0.288 0.000 1.067 633 D HN 0.078 nan 8.370 nan 0.000 0.484 634 P HA -0.164 nan 4.420 nan 0.000 0.216 634 P C 1.583 178.904 177.300 0.034 0.000 1.150 634 P CA 0.557 63.683 63.100 0.043 0.000 0.843 634 P CB 0.410 32.132 31.700 0.036 0.000 0.787 635 V N -0.782 119.153 119.914 0.035 0.000 2.490 635 V HA -0.174 3.941 4.120 -0.008 0.000 0.250 635 V C 2.391 178.488 176.094 0.005 0.000 1.061 635 V CA 1.559 63.866 62.300 0.011 0.000 1.064 635 V CB -1.021 30.797 31.823 -0.008 0.000 0.670 635 V HN -0.007 nan 8.190 nan 0.000 0.461 636 V N -0.256 119.679 119.914 0.035 0.000 2.379 636 V HA 0.123 4.238 4.120 -0.008 0.000 0.245 636 V C 1.767 177.870 176.094 0.015 0.000 1.044 636 V CA 1.427 63.747 62.300 0.034 0.000 1.036 636 V CB -1.227 30.667 31.823 0.117 0.000 0.664 636 V HN 0.736 nan 8.190 nan 0.000 0.453 637 G N 1.623 110.435 108.800 0.020 0.000 2.566 637 G HA2 -0.347 3.608 3.960 -0.008 0.000 0.280 637 G HA3 -0.347 3.608 3.960 -0.008 0.000 0.280 637 G C 0.378 175.280 174.900 0.004 0.000 1.225 637 G CA 0.355 45.462 45.100 0.010 0.000 0.966 637 G HN 0.631 nan 8.290 nan 0.000 0.560 638 D N 0.484 120.887 120.400 0.005 0.000 2.395 638 D HA 0.112 4.746 4.640 -0.008 0.000 0.226 638 D C 1.773 178.069 176.300 -0.007 0.000 1.146 638 D CA -0.020 53.983 54.000 0.006 0.000 0.830 638 D CB 0.067 40.880 40.800 0.022 0.000 0.958 638 D HN 0.558 nan 8.370 nan 0.000 0.501 639 R N -0.445 120.040 120.500 -0.024 0.000 2.200 639 R HA 0.158 4.493 4.340 -0.008 0.000 0.208 639 R C 0.092 176.354 176.300 -0.063 0.000 1.033 639 R CA 0.286 56.349 56.100 -0.062 0.000 1.000 639 R CB 0.317 30.562 30.300 -0.092 0.000 0.906 639 R HN 0.118 nan 8.270 nan 0.000 0.462 640 L N 0.604 121.808 121.223 -0.032 0.000 2.543 640 L HA 0.397 4.732 4.340 -0.008 0.000 0.265 640 L C -1.671 175.186 176.870 -0.021 0.000 0.945 640 L CA -0.536 54.286 54.840 -0.030 0.000 0.869 640 L CB 1.804 43.858 42.059 -0.009 0.000 1.294 640 L HN -0.194 nan 8.230 nan 0.000 0.405 641 R N 3.866 124.342 120.500 -0.040 0.000 2.628 641 R HA 0.774 5.109 4.340 -0.008 0.000 0.288 641 R C -1.623 174.638 176.300 -0.065 0.000 0.980 641 R CA -0.799 55.270 56.100 -0.051 0.000 0.891 641 R CB 2.333 32.601 30.300 -0.053 0.000 1.188 641 R HN 0.396 nan 8.270 nan 0.000 0.450 642 V N 4.857 124.733 119.914 -0.063 0.000 2.376 642 V HA 0.459 4.574 4.120 -0.008 0.000 0.287 642 V C -0.171 175.894 176.094 -0.048 0.000 1.015 642 V CA -0.707 61.554 62.300 -0.064 0.000 0.834 642 V CB 1.688 33.469 31.823 -0.071 0.000 1.001 642 V HN 0.483 nan 8.190 nan 0.000 0.428 643 I N 4.721 125.258 120.570 -0.056 0.000 2.474 643 I HA 0.449 4.614 4.170 -0.008 0.000 0.294 643 I C -0.617 175.489 176.117 -0.018 0.000 1.005 643 I CA -0.721 60.556 61.300 -0.038 0.000 1.113 643 I CB 1.849 39.802 38.000 -0.079 0.000 1.289 643 I HN 0.568 nan 8.210 nan 0.000 0.436 644 F N 6.608 126.498 119.950 -0.100 0.000 2.385 644 F HA 0.466 4.988 4.527 -0.008 0.000 0.360 644 F C -0.334 175.402 175.800 -0.106 0.000 1.122 644 F CA -0.596 57.344 58.000 -0.100 0.000 1.090 644 F CB 0.805 39.747 39.000 -0.097 0.000 1.150 644 F HN 0.247 nan 8.300 nan 0.000 0.472 645 L N 6.160 126.980 121.223 -0.671 0.000 2.407 645 L HA 0.186 4.521 4.340 -0.008 0.000 0.282 645 L C 0.420 177.015 176.870 -0.459 0.000 1.110 645 L CA -0.064 54.512 54.840 -0.440 0.000 0.863 645 L CB 0.382 42.279 42.059 -0.270 0.000 1.207 645 L HN 0.651 nan 8.230 nan 0.000 0.454 646 E N 3.939 124.007 120.200 -0.220 0.000 2.373 646 E HA -0.067 4.278 4.350 -0.008 0.000 0.267 646 E C 0.476 177.124 176.600 0.081 0.000 1.032 646 E CA -0.352 56.062 56.400 0.024 0.000 0.889 646 E CB 0.447 30.139 29.700 -0.014 0.000 0.984 646 E HN 0.563 nan 8.360 nan 0.000 0.425 647 N N 2.493 121.308 118.700 0.191 0.000 2.725 647 N HA -0.287 4.448 4.740 -0.008 0.000 0.251 647 N C -1.489 174.119 175.510 0.163 0.000 1.031 647 N CA 0.572 53.734 53.050 0.187 0.000 0.720 647 N CB -1.604 37.009 38.487 0.210 0.000 0.930 647 N HN 0.491 nan 8.380 nan 0.000 0.543 648 Y N 1.441 121.751 120.300 0.017 0.000 2.721 648 Y HA 0.116 4.661 4.550 -0.009 0.000 0.329 648 Y C 1.144 177.064 175.900 0.032 0.000 1.211 648 Y CA 0.680 58.778 58.100 -0.004 0.000 1.512 648 Y CB 0.276 38.703 38.460 -0.055 0.000 1.249 648 Y HN 0.366 nan 8.280 nan 0.000 0.549 649 R N 2.471 122.660 120.500 -0.519 0.000 2.762 649 R HA 0.485 4.820 4.340 -0.008 0.000 0.271 649 R C -0.292 175.672 176.300 -0.559 0.000 1.038 649 R CA -0.577 55.275 56.100 -0.412 0.000 0.906 649 R CB 0.324 30.563 30.300 -0.102 0.000 1.259 649 R HN 0.343 nan 8.270 nan 0.000 0.457 650 V N 1.067 120.687 119.914 -0.491 0.000 2.282 650 V HA -0.298 3.817 4.120 -0.008 0.000 0.249 650 V C 2.597 178.562 176.094 -0.215 0.000 1.057 650 V CA 2.828 64.900 62.300 -0.380 0.000 1.032 650 V CB -0.875 30.697 31.823 -0.418 0.000 0.645 650 V HN 0.935 nan 8.190 nan 0.000 0.447 651 S N 0.158 115.756 115.700 -0.170 0.000 2.399 651 S HA -0.190 4.275 4.470 -0.008 0.000 0.231 651 S C 1.923 176.478 174.600 -0.075 0.000 1.022 651 S CA 1.744 59.878 58.200 -0.109 0.000 0.983 651 S CB -0.552 62.617 63.200 -0.051 0.000 0.803 651 S HN 0.403 nan 8.310 nan 0.000 0.480 652 L N 1.820 123.001 121.223 -0.070 0.000 2.156 652 L HA 0.344 4.679 4.340 -0.008 0.000 0.208 652 L C 2.644 179.517 176.870 0.004 0.000 1.095 652 L CA 1.327 56.167 54.840 -0.001 0.000 0.770 652 L CB -1.206 40.907 42.059 0.090 0.000 0.914 652 L HN 0.348 nan 8.230 nan 0.000 0.439 653 A N -0.652 122.144 122.820 -0.041 0.000 1.933 653 A HA -0.223 4.092 4.320 -0.008 0.000 0.218 653 A C 2.114 179.751 177.584 0.089 0.000 1.175 653 A CA 1.756 53.848 52.037 0.091 0.000 0.628 653 A CB -0.594 18.446 19.000 0.066 0.000 0.814 653 A HN 0.591 nan 8.150 nan 0.000 0.444 654 E N -0.379 119.854 120.200 0.056 0.000 2.265 654 E HA -0.162 4.182 4.350 -0.008 0.000 0.196 654 E C 1.834 178.394 176.600 -0.067 0.000 0.996 654 E CA 1.154 57.545 56.400 -0.016 0.000 0.832 654 E CB -0.046 29.555 29.700 -0.164 0.000 0.756 654 E HN 0.623 nan 8.360 nan 0.000 0.491 655 K N 0.022 120.361 120.400 -0.103 0.000 2.141 655 K HA 0.032 4.347 4.320 -0.008 0.000 0.202 655 K C 2.158 178.524 176.600 -0.389 0.000 1.045 655 K CA 0.415 56.612 56.287 -0.151 0.000 0.971 655 K CB 0.010 32.430 32.500 -0.134 0.000 0.795 655 K HN -0.047 nan 8.250 nan 0.000 0.459 656 V N 1.982 121.568 119.914 -0.547 0.000 2.488 656 V HA -0.123 3.992 4.120 -0.008 0.000 0.246 656 V C 1.887 177.717 176.094 -0.441 0.000 1.046 656 V CA 1.201 62.952 62.300 -0.915 0.000 1.053 656 V CB -0.178 31.254 31.823 -0.653 0.000 0.679 656 V HN 0.240 nan 8.190 nan 0.000 0.458 657 I N 0.676 121.054 120.570 -0.319 0.000 2.179 657 I HA -0.132 4.033 4.170 -0.008 0.000 0.242 657 I C -0.256 175.745 176.117 -0.193 0.000 1.088 657 I CA 1.619 62.676 61.300 -0.404 0.000 1.357 657 I CB -1.517 36.123 38.000 -0.600 0.000 1.051 657 I HN 0.366 nan 8.210 nan 0.000 0.409 658 P HA -0.100 nan 4.420 nan 0.000 0.225 658 P C 0.974 178.267 177.300 -0.012 0.000 1.148 658 P CA 1.169 64.241 63.100 -0.047 0.000 0.779 658 P CB 0.060 31.740 31.700 -0.034 0.000 0.780 659 A N -1.160 121.634 122.820 -0.043 0.000 2.275 659 A HA 0.465 4.780 4.320 -0.008 0.000 0.212 659 A C 1.168 178.863 177.584 0.185 0.000 1.201 659 A CA 0.102 52.175 52.037 0.060 0.000 0.843 659 A CB -0.647 18.394 19.000 0.069 0.000 0.873 659 A HN 0.191 nan 8.150 nan 0.000 0.492 660 A N -0.123 122.804 122.820 0.178 0.000 2.340 660 A HA 0.474 4.789 4.320 -0.008 0.000 0.268 660 A C 0.357 178.092 177.584 0.251 0.000 1.100 660 A CA -0.132 52.075 52.037 0.283 0.000 0.803 660 A CB 0.351 19.611 19.000 0.432 0.000 1.043 660 A HN 0.269 nan 8.150 nan 0.000 0.488 661 D N 0.345 120.888 120.400 0.239 0.000 2.431 661 D HA 0.130 4.765 4.640 -0.008 0.000 0.235 661 D C 0.029 176.540 176.300 0.353 0.000 0.980 661 D CA 0.682 54.867 54.000 0.308 0.000 0.912 661 D CB 0.303 41.193 40.800 0.150 0.000 1.056 661 D HN 0.370 nan 8.370 nan 0.000 0.494 662 L N 1.094 122.410 121.223 0.154 0.000 2.356 662 L HA 0.311 4.646 4.340 -0.008 0.000 0.277 662 L C -0.839 175.912 176.870 -0.199 0.000 0.996 662 L CA -0.307 54.552 54.840 0.031 0.000 0.822 662 L CB 2.079 44.133 42.059 -0.008 0.000 1.256 662 L HN -0.184 nan 8.230 nan 0.000 0.413 663 S N 4.233 119.727 115.700 -0.343 0.000 2.429 663 S HA 0.334 4.799 4.470 -0.008 0.000 0.302 663 S C -0.434 173.898 174.600 -0.447 0.000 1.115 663 S CA -0.679 57.072 58.200 -0.750 0.000 1.095 663 S CB 0.674 63.373 63.200 -0.836 0.000 0.987 663 S HN 0.562 nan 8.310 nan 0.000 0.474 664 E N 4.099 124.047 120.200 -0.421 0.000 2.089 664 E HA 0.217 4.562 4.350 -0.008 0.000 0.284 664 E C -0.570 175.923 176.600 -0.178 0.000 1.023 664 E CA -0.422 55.854 56.400 -0.206 0.000 0.819 664 E CB 1.013 30.620 29.700 -0.155 0.000 1.076 664 E HN 0.593 nan 8.360 nan 0.000 0.396 665 Q N 2.816 122.567 119.800 -0.083 0.000 3.064 665 Q HA 0.270 4.605 4.340 -0.008 0.000 0.258 665 Q C 0.563 176.556 176.000 -0.011 0.000 0.972 665 Q CA -0.132 55.636 55.803 -0.059 0.000 0.761 665 Q CB 0.303 29.019 28.738 -0.035 0.000 1.281 665 Q HN 0.617 nan 8.270 nan 0.000 0.455 666 I N -1.579 118.970 120.570 -0.036 0.000 3.736 666 I HA 0.279 4.444 4.170 -0.008 0.000 0.338 666 I C 0.408 176.477 176.117 -0.080 0.000 1.558 666 I CA -0.669 60.618 61.300 -0.021 0.000 1.147 666 I CB 0.366 38.355 38.000 -0.019 0.000 1.275 666 I HN 0.009 nan 8.210 nan 0.000 0.454 667 S N 0.363 116.015 115.700 -0.079 0.000 2.579 667 S HA 0.205 4.670 4.470 -0.008 0.000 0.275 667 S C 0.562 175.145 174.600 -0.030 0.000 1.345 667 S CA -0.288 57.882 58.200 -0.050 0.000 1.031 667 S CB 0.435 63.655 63.200 0.034 0.000 0.892 667 S HN 0.389 nan 8.310 nan 0.000 0.529 668 T N 2.560 117.129 114.554 0.025 0.000 2.902 668 T HA 0.406 4.750 4.350 -0.008 0.000 0.301 668 T C 0.724 175.435 174.700 0.018 0.000 1.012 668 T CA 0.208 62.331 62.100 0.038 0.000 1.151 668 T CB 0.109 69.077 68.868 0.166 0.000 0.946 668 T HN 1.003 nan 8.240 nan 0.000 0.542 669 A N 2.556 125.356 122.820 -0.034 0.000 2.566 669 A HA 0.449 4.764 4.320 -0.008 0.000 0.245 669 A C 1.630 179.208 177.584 -0.012 0.000 1.056 669 A CA 0.316 52.328 52.037 -0.041 0.000 0.757 669 A CB -0.932 18.031 19.000 -0.062 0.000 0.979 669 A HN 1.694 nan 8.150 nan 0.000 0.508 670 G N 1.434 110.225 108.800 -0.015 0.000 2.176 670 G HA2 -0.239 3.716 3.960 -0.008 0.000 0.232 670 G HA3 -0.239 3.716 3.960 -0.008 0.000 0.232 670 G C 0.844 175.731 174.900 -0.022 0.000 0.986 670 G CA 1.123 46.216 45.100 -0.012 0.000 0.643 670 G HN 1.980 nan 8.290 nan 0.000 0.522 671 T N -2.560 111.977 114.554 -0.028 0.000 3.018 671 T HA 0.407 4.752 4.350 -0.008 0.000 0.246 671 T C 0.747 175.287 174.700 -0.267 0.000 1.026 671 T CA 1.031 63.046 62.100 -0.142 0.000 1.081 671 T CB 0.553 69.375 68.868 -0.077 0.000 0.970 671 T HN 0.260 nan 8.240 nan 0.000 0.475 672 E N 1.636 121.806 120.200 -0.050 0.000 1.996 672 E HA 0.659 5.004 4.350 -0.008 0.000 0.280 672 E C 1.204 177.748 176.600 -0.092 0.000 1.092 672 E CA 0.071 56.483 56.400 0.018 0.000 0.862 672 E CB 0.696 30.466 29.700 0.116 0.000 1.066 672 E HN 0.351 nan 8.360 nan 0.000 0.396 673 A N 3.408 126.097 122.820 -0.219 0.000 1.896 673 A HA -0.260 4.055 4.320 -0.008 0.000 0.220 673 A C 1.992 179.444 177.584 -0.220 0.000 1.206 673 A CA 2.429 54.202 52.037 -0.439 0.000 0.647 673 A CB -0.334 18.209 19.000 -0.762 0.000 0.828 673 A HN 0.608 nan 8.150 nan 0.000 0.455 674 S N -4.095 111.537 115.700 -0.114 0.000 3.984 674 S HA 0.459 4.924 4.470 -0.008 0.000 0.221 674 S C 0.626 175.214 174.600 -0.021 0.000 1.149 674 S CA 1.385 59.565 58.200 -0.034 0.000 0.950 674 S CB -0.010 63.194 63.200 0.006 0.000 1.216 674 S HN 2.324 nan 8.310 nan 0.000 0.547 675 G N 0.320 109.113 108.800 -0.012 0.000 2.719 675 G HA2 -0.012 3.943 3.960 -0.008 0.000 0.686 675 G HA3 -0.012 3.943 3.960 -0.008 0.000 0.686 675 G C 0.210 175.091 174.900 -0.032 0.000 1.201 675 G CA 0.457 45.548 45.100 -0.014 0.000 0.768 675 G HN 1.291 nan 8.290 nan 0.000 0.629 676 T N -1.824 112.699 114.554 -0.053 0.000 3.010 676 T HA 0.373 4.718 4.350 -0.008 0.000 0.253 676 T C 2.364 176.966 174.700 -0.162 0.000 0.939 676 T CA 1.258 63.298 62.100 -0.099 0.000 0.910 676 T CB 0.323 69.124 68.868 -0.111 0.000 1.226 676 T HN 1.880 nan 8.240 nan 0.000 0.508 677 G N 3.076 111.806 108.800 -0.116 0.000 2.422 677 G HA2 -0.252 3.702 3.960 -0.008 0.000 0.218 677 G HA3 -0.252 3.702 3.960 -0.008 0.000 0.218 677 G C 1.463 176.403 174.900 0.068 0.000 1.146 677 G CA 1.137 46.182 45.100 -0.092 0.000 0.769 677 G HN 0.832 nan 8.290 nan 0.000 0.547 678 N N 0.130 118.859 118.700 0.048 0.000 2.149 678 N HA -0.147 4.588 4.740 -0.008 0.000 0.188 678 N C 2.201 177.718 175.510 0.012 0.000 1.019 678 N CA 1.311 54.397 53.050 0.061 0.000 0.857 678 N CB -0.354 38.121 38.487 -0.020 0.000 0.997 678 N HN 0.343 nan 8.380 nan 0.000 0.426 679 M N 0.781 120.321 119.600 -0.100 0.000 2.175 679 M HA -0.022 4.453 4.480 -0.008 0.000 0.264 679 M C 1.987 178.240 176.300 -0.079 0.000 1.063 679 M CA 1.412 56.637 55.300 -0.126 0.000 1.119 679 M CB -0.061 32.473 32.600 -0.110 0.000 1.377 679 M HN 0.107 nan 8.290 nan 0.000 0.415 680 K N 0.040 120.321 120.400 -0.198 0.000 2.057 680 K HA -0.113 4.202 4.320 -0.008 0.000 0.207 680 K C 1.710 178.190 176.600 -0.201 0.000 1.049 680 K CA 1.389 57.493 56.287 -0.306 0.000 0.931 680 K CB -0.293 31.796 32.500 -0.686 0.000 0.714 680 K HN 0.150 nan 8.250 nan 0.000 0.440 681 F N 1.149 121.033 119.950 -0.110 0.000 2.146 681 F HA -0.118 4.403 4.527 -0.009 0.000 0.298 681 F C 2.573 178.349 175.800 -0.040 0.000 1.096 681 F CA 1.209 59.168 58.000 -0.068 0.000 1.275 681 F CB -0.321 38.629 39.000 -0.083 0.000 1.008 681 F HN -0.007 nan 8.300 nan 0.000 0.480 682 M N -0.456 119.232 119.600 0.146 0.000 2.117 682 M HA -0.193 4.282 4.480 -0.008 0.000 0.262 682 M C 2.057 178.414 176.300 0.095 0.000 1.065 682 M CA 1.593 56.950 55.300 0.095 0.000 1.114 682 M CB -0.224 32.428 32.600 0.086 0.000 1.361 682 M HN 0.263 nan 8.290 nan 0.000 0.408 683 L N 0.732 122.009 121.223 0.089 0.000 2.291 683 L HA -0.042 4.293 4.340 -0.008 0.000 0.214 683 L C 1.264 178.181 176.870 0.079 0.000 1.120 683 L CA 1.516 56.415 54.840 0.098 0.000 0.799 683 L CB -0.557 41.570 42.059 0.113 0.000 0.925 683 L HN 0.340 nan 8.230 nan 0.000 0.446 684 N N -0.053 118.683 118.700 0.061 0.000 2.251 684 N HA 0.171 4.906 4.740 -0.008 0.000 0.217 684 N C 0.846 176.393 175.510 0.063 0.000 1.124 684 N CA 0.786 53.866 53.050 0.050 0.000 0.843 684 N CB 0.529 39.023 38.487 0.011 0.000 1.024 684 N HN 0.405 nan 8.380 nan 0.000 0.501 685 G N 0.433 109.275 108.800 0.070 0.000 2.142 685 G HA2 -0.192 3.763 3.960 -0.008 0.000 0.225 685 G HA3 -0.192 3.763 3.960 -0.008 0.000 0.225 685 G C -0.041 174.931 174.900 0.118 0.000 1.015 685 G CA 0.137 45.280 45.100 0.072 0.000 0.716 685 G HN 0.526 nan 8.290 nan 0.000 0.508 686 A N -0.335 122.564 122.820 0.131 0.000 2.340 686 A HA 0.892 5.207 4.320 -0.008 0.000 0.331 686 A C 0.317 177.909 177.584 0.014 0.000 1.140 686 A CA -0.662 51.472 52.037 0.161 0.000 0.801 686 A CB 1.156 20.311 19.000 0.258 0.000 1.234 686 A HN 0.686 nan 8.150 nan 0.000 0.469 687 L N 0.735 121.933 121.223 -0.042 0.000 2.421 687 L HA 0.482 4.817 4.340 -0.008 0.000 0.263 687 L C 0.172 176.915 176.870 -0.212 0.000 1.122 687 L CA -0.367 54.337 54.840 -0.226 0.000 0.804 687 L CB 1.592 43.431 42.059 -0.366 0.000 1.150 687 L HN 0.700 nan 8.230 nan 0.000 0.457 688 T N 2.510 116.807 114.554 -0.428 0.000 2.807 688 T HA 0.479 4.824 4.350 -0.008 0.000 0.279 688 T C -0.502 174.084 174.700 -0.190 0.000 0.993 688 T CA -0.270 61.572 62.100 -0.430 0.000 0.970 688 T CB 1.621 70.039 68.868 -0.750 0.000 0.950 688 T HN 0.358 nan 8.240 nan 0.000 0.441 689 I N 2.817 123.369 120.570 -0.030 0.000 2.362 689 I HA 0.738 4.903 4.170 -0.008 0.000 0.289 689 I C 0.041 176.310 176.117 0.253 0.000 0.994 689 I CA 0.084 61.478 61.300 0.158 0.000 1.158 689 I CB 0.429 38.449 38.000 0.034 0.000 1.315 689 I HN 0.802 nan 8.210 nan 0.000 0.451 690 G N 3.899 112.938 108.800 0.398 0.000 2.506 690 G HA2 0.418 4.373 3.960 -0.008 0.000 0.292 690 G HA3 0.418 4.373 3.960 -0.008 0.000 0.292 690 G C -0.952 173.913 174.900 -0.058 0.000 1.425 690 G CA -0.329 44.928 45.100 0.262 0.000 0.788 690 G HN 0.591 nan 8.290 nan 0.000 0.490 691 T N -1.438 112.949 114.554 -0.278 0.000 2.874 691 T HA 0.526 4.871 4.350 -0.008 0.000 0.281 691 T C 0.727 175.321 174.700 -0.175 0.000 0.994 691 T CA -0.664 61.188 62.100 -0.412 0.000 1.015 691 T CB 1.159 69.793 68.868 -0.390 0.000 1.028 691 T HN 0.278 nan 8.240 nan 0.000 0.523 692 M N 2.928 122.431 119.600 -0.162 0.000 3.436 692 M HA 0.316 4.791 4.480 -0.008 0.000 0.240 692 M C -0.444 175.806 176.300 -0.084 0.000 1.469 692 M CA -0.025 55.214 55.300 -0.102 0.000 1.622 692 M CB -1.722 30.825 32.600 -0.089 0.000 1.098 692 M HN 0.737 nan 8.290 nan 0.000 0.568 693 D N -0.017 120.340 120.400 -0.072 0.000 2.601 693 D HA 0.679 5.314 4.640 -0.008 0.000 0.230 693 D C 0.717 176.995 176.300 -0.035 0.000 1.106 693 D CA 0.691 54.662 54.000 -0.049 0.000 0.873 693 D CB 1.753 42.526 40.800 -0.045 0.000 1.515 693 D HN 0.597 nan 8.370 nan 0.000 0.468 694 G N 1.607 110.394 108.800 -0.022 0.000 2.627 694 G HA2 -0.263 3.692 3.960 -0.008 0.000 0.312 694 G HA3 -0.263 3.692 3.960 -0.008 0.000 0.312 694 G C 1.065 175.956 174.900 -0.015 0.000 1.299 694 G CA 1.187 46.278 45.100 -0.015 0.000 0.989 694 G HN 1.065 nan 8.290 nan 0.000 0.547 695 A N -0.400 122.407 122.820 -0.022 0.000 2.168 695 A HA 0.053 4.368 4.320 -0.008 0.000 0.215 695 A C 2.132 179.651 177.584 -0.108 0.000 1.152 695 A CA 1.946 53.962 52.037 -0.034 0.000 0.716 695 A CB -0.474 18.494 19.000 -0.054 0.000 0.794 695 A HN 0.630 nan 8.150 nan 0.000 0.465 696 N N 0.484 119.130 118.700 -0.090 0.000 2.137 696 N HA -0.152 4.583 4.740 -0.008 0.000 0.190 696 N C 1.588 176.977 175.510 -0.201 0.000 1.017 696 N CA 1.610 54.601 53.050 -0.098 0.000 0.859 696 N CB -0.615 37.865 38.487 -0.013 0.000 1.002 696 N HN 0.296 nan 8.380 nan 0.000 0.428 697 V N 1.260 121.097 119.914 -0.129 0.000 2.332 697 V HA -0.212 3.903 4.120 -0.008 0.000 0.248 697 V C 1.955 177.973 176.094 -0.127 0.000 1.055 697 V CA 1.683 63.904 62.300 -0.130 0.000 1.038 697 V CB -0.494 31.286 31.823 -0.071 0.000 0.651 697 V HN 0.359 nan 8.190 nan 0.000 0.450 698 E N -0.561 119.615 120.200 -0.041 0.000 2.152 698 E HA -0.130 4.215 4.350 -0.008 0.000 0.192 698 E C 2.214 178.897 176.600 0.137 0.000 0.983 698 E CA 1.040 57.487 56.400 0.077 0.000 0.818 698 E CB -0.187 29.646 29.700 0.221 0.000 0.758 698 E HN 0.544 nan 8.360 nan 0.000 0.467 699 M N 0.509 120.068 119.600 -0.067 0.000 2.086 699 M HA -0.136 4.339 4.480 -0.008 0.000 0.261 699 M C 2.496 178.515 176.300 -0.469 0.000 1.067 699 M CA 1.538 56.719 55.300 -0.198 0.000 1.116 699 M CB -0.188 32.179 32.600 -0.387 0.000 1.348 699 M HN 0.134 nan 8.290 nan 0.000 0.407 700 A N -0.210 122.056 122.820 -0.923 0.000 1.930 700 A HA -0.204 4.111 4.320 -0.008 0.000 0.217 700 A C 1.977 179.347 177.584 -0.357 0.000 1.175 700 A CA 1.878 53.329 52.037 -0.976 0.000 0.627 700 A CB -0.751 17.746 19.000 -0.839 0.000 0.815 700 A HN 0.579 nan 8.150 nan 0.000 0.443 701 E N -0.400 119.667 120.200 -0.221 0.000 2.072 701 E HA -0.198 4.147 4.350 -0.008 0.000 0.191 701 E C 1.786 178.353 176.600 -0.055 0.000 0.985 701 E CA 1.181 57.519 56.400 -0.104 0.000 0.801 701 E CB -0.039 29.622 29.700 -0.064 0.000 0.750 701 E HN 0.546 nan 8.360 nan 0.000 0.452 702 E N 0.081 120.274 120.200 -0.011 0.000 2.046 702 E HA -0.122 4.223 4.350 -0.008 0.000 0.190 702 E C 1.869 178.487 176.600 0.031 0.000 0.982 702 E CA 1.121 57.538 56.400 0.030 0.000 0.800 702 E CB -0.171 29.601 29.700 0.119 0.000 0.756 702 E HN 0.348 nan 8.360 nan 0.000 0.449 703 A N 0.384 123.226 122.820 0.036 0.000 2.072 703 A HA 0.321 4.636 4.320 -0.008 0.000 0.216 703 A C 1.057 178.656 177.584 0.024 0.000 1.156 703 A CA 1.142 53.217 52.037 0.065 0.000 0.701 703 A CB 0.012 19.114 19.000 0.170 0.000 0.816 703 A HN 0.258 nan 8.150 nan 0.000 0.458 704 G N -0.559 108.228 108.800 -0.022 0.000 3.225 704 G HA2 -0.071 3.884 3.960 -0.008 0.000 0.686 704 G HA3 -0.071 3.884 3.960 -0.008 0.000 0.686 704 G C -0.046 174.834 174.900 -0.032 0.000 1.105 704 G CA -0.007 45.075 45.100 -0.030 0.000 0.831 704 G HN 0.233 nan 8.290 nan 0.000 0.578 705 E N 0.959 121.127 120.200 -0.052 0.000 2.209 705 E HA -0.188 4.157 4.350 -0.008 0.000 0.196 705 E C 1.974 178.560 176.600 -0.023 0.000 0.993 705 E CA 1.775 58.153 56.400 -0.037 0.000 0.819 705 E CB 0.082 29.758 29.700 -0.040 0.000 0.745 705 E HN 0.766 nan 8.360 nan 0.000 0.477 706 E N 0.671 120.845 120.200 -0.043 0.000 2.338 706 E HA -0.080 4.265 4.350 -0.008 0.000 0.197 706 E C 0.911 177.424 176.600 -0.146 0.000 1.007 706 E CA 0.579 56.932 56.400 -0.079 0.000 0.849 706 E CB -0.029 29.638 29.700 -0.056 0.000 0.774 706 E HN 0.158 nan 8.360 nan 0.000 0.506 707 N N -0.319 118.324 118.700 -0.096 0.000 2.251 707 N HA 0.152 4.887 4.740 -0.008 0.000 0.217 707 N C -0.959 174.465 175.510 -0.142 0.000 1.124 707 N CA 0.071 53.034 53.050 -0.145 0.000 0.843 707 N CB 0.382 38.842 38.487 -0.045 0.000 1.024 707 N HN 0.048 nan 8.380 nan 0.000 0.501 708 F N -0.438 119.283 119.950 -0.382 0.000 2.588 708 F HA 0.419 4.940 4.527 -0.010 0.000 0.314 708 F C -0.793 174.757 175.800 -0.417 0.000 1.069 708 F CA -1.110 56.699 58.000 -0.318 0.000 0.931 708 F CB 1.357 40.273 39.000 -0.140 0.000 1.260 708 F HN -0.223 nan 8.300 nan 0.000 0.465 709 F N 4.677 124.640 119.950 0.023 0.000 2.318 709 F HA 0.433 4.955 4.527 -0.008 0.000 0.356 709 F C -0.449 175.482 175.800 0.219 0.000 1.109 709 F CA -0.575 57.470 58.000 0.075 0.000 1.234 709 F CB -0.043 38.946 39.000 -0.018 0.000 1.545 709 F HN 0.017 nan 8.300 nan 0.000 0.534 710 I N 3.704 124.480 120.570 0.342 0.000 2.440 710 I HA 0.445 4.610 4.170 -0.008 0.000 0.294 710 I C -0.114 176.199 176.117 0.327 0.000 0.995 710 I CA -0.537 60.931 61.300 0.281 0.000 1.306 710 I CB 0.589 38.673 38.000 0.139 0.000 1.407 710 I HN 0.341 nan 8.210 nan 0.000 0.501 711 F N 2.494 122.510 119.950 0.109 0.000 2.779 711 F HA 0.904 5.426 4.527 -0.009 0.000 0.316 711 F C 0.034 175.875 175.800 0.070 0.000 1.164 711 F CA -0.648 57.408 58.000 0.093 0.000 0.924 711 F CB 0.741 39.809 39.000 0.114 0.000 1.348 711 F HN 0.906 nan 8.300 nan 0.000 0.467 712 G N 0.905 109.736 108.800 0.052 0.000 2.796 712 G HA2 -0.080 3.875 3.960 -0.008 0.000 0.571 712 G HA3 -0.080 3.875 3.960 -0.008 0.000 0.571 712 G C -0.845 174.011 174.900 -0.072 0.000 1.370 712 G CA -0.544 44.517 45.100 -0.066 0.000 0.856 712 G HN 0.956 nan 8.290 nan 0.000 0.538 713 M N 0.663 120.234 119.600 -0.048 0.000 2.248 713 M HA 0.296 4.771 4.480 -0.008 0.000 0.337 713 M C 1.177 177.438 176.300 -0.065 0.000 1.121 713 M CA 0.040 55.324 55.300 -0.027 0.000 1.155 713 M CB 0.383 32.978 32.600 -0.007 0.000 1.514 713 M HN 0.516 nan 8.290 nan 0.000 0.452 714 R N 1.275 121.752 120.500 -0.038 0.000 2.608 714 R HA 0.329 4.664 4.340 -0.008 0.000 0.255 714 R C 1.191 177.470 176.300 -0.034 0.000 1.086 714 R CA -0.580 55.493 56.100 -0.045 0.000 1.125 714 R CB 0.258 30.540 30.300 -0.031 0.000 1.193 714 R HN 0.570 nan 8.270 nan 0.000 0.553 715 V N 1.546 121.440 119.914 -0.034 0.000 2.324 715 V HA -0.279 3.836 4.120 -0.008 0.000 0.250 715 V C 1.828 177.911 176.094 -0.018 0.000 1.060 715 V CA 2.037 64.321 62.300 -0.027 0.000 1.042 715 V CB -0.455 31.351 31.823 -0.029 0.000 0.650 715 V HN 0.624 nan 8.190 nan 0.000 0.450 716 E N 0.165 120.356 120.200 -0.015 0.000 2.118 716 E HA -0.189 4.156 4.350 -0.008 0.000 0.195 716 E C 1.934 178.537 176.600 0.005 0.000 0.992 716 E CA 1.381 57.777 56.400 -0.006 0.000 0.804 716 E CB -0.421 29.276 29.700 -0.005 0.000 0.741 716 E HN 0.622 nan 8.360 nan 0.000 0.458 717 D N -0.291 120.113 120.400 0.007 0.000 2.144 717 D HA -0.088 4.547 4.640 -0.008 0.000 0.200 717 D C 1.954 178.269 176.300 0.024 0.000 0.978 717 D CA 0.752 54.766 54.000 0.023 0.000 0.833 717 D CB -0.103 40.713 40.800 0.026 0.000 0.961 717 D HN 0.064 nan 8.370 nan 0.000 0.470 718 V N 1.801 121.717 119.914 0.004 0.000 2.358 718 V HA -0.193 3.922 4.120 -0.008 0.000 0.246 718 V C 1.968 178.062 176.094 0.001 0.000 1.047 718 V CA 1.577 63.873 62.300 -0.007 0.000 1.035 718 V CB -0.353 31.456 31.823 -0.023 0.000 0.658 718 V HN 0.061 nan 8.190 nan 0.000 0.452 719 D N 0.026 120.427 120.400 0.002 0.000 2.117 719 D HA -0.153 4.482 4.640 -0.008 0.000 0.197 719 D C 2.411 178.723 176.300 0.021 0.000 0.987 719 D CA 1.251 55.254 54.000 0.005 0.000 0.829 719 D CB -0.222 40.578 40.800 -0.000 0.000 0.961 719 D HN 0.381 nan 8.370 nan 0.000 0.460 720 R N 0.279 120.796 120.500 0.028 0.000 2.091 720 R HA -0.050 4.285 4.340 -0.008 0.000 0.238 720 R C 2.556 178.892 176.300 0.061 0.000 1.136 720 R CA 0.537 56.662 56.100 0.041 0.000 0.959 720 R CB -0.381 29.945 30.300 0.044 0.000 0.856 720 R HN 0.196 nan 8.270 nan 0.000 0.437 721 L N 0.707 121.975 121.223 0.075 0.000 2.046 721 L HA -0.216 4.119 4.340 -0.008 0.000 0.208 721 L C 1.573 178.510 176.870 0.111 0.000 1.077 721 L CA 1.389 56.300 54.840 0.118 0.000 0.747 721 L CB -0.296 41.845 42.059 0.137 0.000 0.896 721 L HN 0.251 nan 8.230 nan 0.000 0.432 722 D N -0.586 119.854 120.400 0.067 0.000 2.144 722 D HA -0.201 4.434 4.640 -0.008 0.000 0.200 722 D C 2.203 178.536 176.300 0.055 0.000 0.978 722 D CA 1.096 55.130 54.000 0.056 0.000 0.833 722 D CB -0.061 40.751 40.800 0.020 0.000 0.961 722 D HN 0.467 nan 8.370 nan 0.000 0.470 723 Q N 0.109 119.937 119.800 0.045 0.000 2.124 723 Q HA -0.112 4.223 4.340 -0.008 0.000 0.202 723 Q C 2.220 178.248 176.000 0.047 0.000 0.977 723 Q CA 0.865 56.691 55.803 0.039 0.000 0.850 723 Q CB 0.029 28.785 28.738 0.031 0.000 0.901 723 Q HN 0.167 nan 8.270 nan 0.000 0.429 724 R N -0.072 120.465 120.500 0.061 0.000 2.127 724 R HA 0.038 4.372 4.340 -0.008 0.000 0.217 724 R C -0.146 176.198 176.300 0.073 0.000 1.074 724 R CA 0.945 57.084 56.100 0.064 0.000 0.991 724 R CB 0.375 30.719 30.300 0.074 0.000 0.895 724 R HN 0.243 nan 8.270 nan 0.000 0.450 725 G N 0.310 109.169 108.800 0.098 0.000 3.448 725 G HA2 -0.238 3.716 3.960 -0.008 0.000 0.685 725 G HA3 -0.238 3.716 3.960 -0.008 0.000 0.685 725 G C -1.400 173.599 174.900 0.165 0.000 1.151 725 G CA -0.386 44.780 45.100 0.111 0.000 1.023 725 G HN 0.272 nan 8.290 nan 0.000 0.499 726 Y N 3.055 123.394 120.300 0.064 0.000 2.480 726 Y HA 0.545 5.090 4.550 -0.008 0.000 0.341 726 Y C 0.335 176.297 175.900 0.105 0.000 1.031 726 Y CA -0.912 57.245 58.100 0.094 0.000 1.295 726 Y CB 1.054 39.548 38.460 0.057 0.000 1.162 726 Y HN 0.623 nan 8.280 nan 0.000 0.523 727 N N 4.825 123.322 118.700 -0.338 0.000 2.626 727 N HA 0.374 5.109 4.740 -0.008 0.000 0.242 727 N C 0.293 175.573 175.510 -0.382 0.000 1.005 727 N CA 0.238 53.104 53.050 -0.308 0.000 0.905 727 N CB 1.086 39.517 38.487 -0.095 0.000 1.128 727 N HN 0.731 nan 8.380 nan 0.000 0.512 728 A N 2.634 125.111 122.820 -0.572 0.000 1.978 728 A HA -0.206 4.109 4.320 -0.008 0.000 0.220 728 A C 1.893 179.602 177.584 0.209 0.000 1.170 728 A CA 1.511 53.439 52.037 -0.182 0.000 0.636 728 A CB -0.493 18.328 19.000 -0.299 0.000 0.810 728 A HN 0.712 nan 8.150 nan 0.000 0.448 729 Q N 0.252 120.076 119.800 0.040 0.000 2.135 729 Q HA -0.229 4.106 4.340 -0.008 0.000 0.204 729 Q C 1.880 177.958 176.000 0.130 0.000 0.981 729 Q CA 2.275 58.117 55.803 0.065 0.000 0.856 729 Q CB -0.365 28.366 28.738 -0.012 0.000 0.902 729 Q HN 0.782 nan 8.270 nan 0.000 0.425 730 E N -1.369 118.862 120.200 0.053 0.000 2.058 730 E HA -0.242 4.103 4.350 -0.008 0.000 0.194 730 E C 1.561 178.117 176.600 -0.074 0.000 0.997 730 E CA 1.500 57.865 56.400 -0.059 0.000 0.801 730 E CB -0.242 29.333 29.700 -0.209 0.000 0.746 730 E HN 0.584 nan 8.360 nan 0.000 0.450 731 Y N -1.052 119.317 120.300 0.115 0.000 2.242 731 Y HA -0.207 4.338 4.550 -0.009 0.000 0.291 731 Y C 2.221 178.122 175.900 0.002 0.000 1.137 731 Y CA 1.519 59.673 58.100 0.090 0.000 1.181 731 Y CB -0.684 37.877 38.460 0.170 0.000 0.989 731 Y HN 0.255 nan 8.280 nan 0.000 0.527 732 Y N 1.288 121.619 120.300 0.051 0.000 2.181 732 Y HA -0.246 4.299 4.550 -0.008 0.000 0.288 732 Y C 1.777 177.644 175.900 -0.054 0.000 1.146 732 Y CA 1.774 59.826 58.100 -0.080 0.000 1.164 732 Y CB -0.410 38.054 38.460 0.007 0.000 0.982 732 Y HN 0.077 nan 8.280 nan 0.000 0.515 733 D N -0.250 120.283 120.400 0.223 0.000 2.183 733 D HA -0.085 4.550 4.640 -0.008 0.000 0.203 733 D C 1.745 178.040 176.300 -0.008 0.000 0.969 733 D CA 1.165 55.233 54.000 0.113 0.000 0.842 733 D CB -0.099 40.766 40.800 0.108 0.000 0.957 733 D HN 0.487 nan 8.370 nan 0.000 0.484 734 R N -0.169 120.317 120.500 -0.023 0.000 2.362 734 R HA 0.297 4.632 4.340 -0.008 0.000 0.227 734 R C 0.342 176.622 176.300 -0.034 0.000 0.905 734 R CA 0.060 56.140 56.100 -0.034 0.000 1.067 734 R CB 1.187 31.460 30.300 -0.044 0.000 1.078 734 R HN 0.129 nan 8.270 nan 0.000 0.516 735 I N 1.955 122.485 120.570 -0.067 0.000 2.464 735 I HA 0.224 4.389 4.170 -0.008 0.000 0.277 735 I C -1.973 174.052 176.117 -0.154 0.000 1.040 735 I CA -2.359 58.904 61.300 -0.061 0.000 1.153 735 I CB 2.116 40.110 38.000 -0.010 0.000 1.274 735 I HN -0.299 nan 8.210 nan 0.000 0.469 736 P HA -0.205 nan 4.420 nan 0.000 0.216 736 P C 1.188 178.393 177.300 -0.159 0.000 1.157 736 P CA 1.548 64.562 63.100 -0.145 0.000 0.880 736 P CB 0.296 31.944 31.700 -0.086 0.000 0.791 737 E N -1.191 118.953 120.200 -0.094 0.000 2.153 737 E HA -0.169 4.176 4.350 -0.008 0.000 0.194 737 E C 1.881 178.376 176.600 -0.175 0.000 0.988 737 E CA 0.676 57.032 56.400 -0.073 0.000 0.811 737 E CB -0.585 29.143 29.700 0.047 0.000 0.746 737 E HN 0.123 nan 8.360 nan 0.000 0.466 738 L N 1.240 122.274 121.223 -0.315 0.000 2.072 738 L HA -0.121 4.213 4.340 -0.008 0.000 0.205 738 L C 2.362 178.939 176.870 -0.489 0.000 1.079 738 L CA 1.622 56.105 54.840 -0.594 0.000 0.752 738 L CB -0.304 41.263 42.059 -0.820 0.000 0.906 738 L HN -0.091 nan 8.230 nan 0.000 0.436 739 R N -0.746 119.436 120.500 -0.530 0.000 2.091 739 R HA -0.252 4.083 4.340 -0.008 0.000 0.238 739 R C 2.383 178.479 176.300 -0.340 0.000 1.136 739 R CA 2.033 57.713 56.100 -0.699 0.000 0.959 739 R CB -0.363 29.463 30.300 -0.790 0.000 0.856 739 R HN 0.642 nan 8.270 nan 0.000 0.437 740 Q N 0.475 120.127 119.800 -0.247 0.000 2.096 740 Q HA -0.182 4.153 4.340 -0.008 0.000 0.204 740 Q C 2.074 178.003 176.000 -0.118 0.000 0.982 740 Q CA 1.968 57.678 55.803 -0.155 0.000 0.850 740 Q CB -0.127 28.527 28.738 -0.140 0.000 0.901 740 Q HN 0.485 nan 8.270 nan 0.000 0.422 741 I N 0.648 121.143 120.570 -0.124 0.000 2.179 741 I HA -0.279 3.886 4.170 -0.008 0.000 0.242 741 I C 2.119 178.241 176.117 0.007 0.000 1.088 741 I CA 0.683 61.949 61.300 -0.056 0.000 1.357 741 I CB -0.313 37.633 38.000 -0.089 0.000 1.051 741 I HN 0.320 nan 8.210 nan 0.000 0.409 742 I N 0.810 121.380 120.570 -0.001 0.000 2.286 742 I HA -0.228 3.937 4.170 -0.008 0.000 0.248 742 I C 2.420 178.623 176.117 0.143 0.000 1.115 742 I CA 1.623 62.996 61.300 0.121 0.000 1.392 742 I CB -1.237 36.917 38.000 0.255 0.000 1.065 742 I HN 0.355 nan 8.210 nan 0.000 0.418 743 E N 0.317 120.576 120.200 0.098 0.000 2.152 743 E HA -0.205 4.140 4.350 -0.008 0.000 0.192 743 E C 2.134 178.787 176.600 0.089 0.000 0.983 743 E CA 0.751 57.209 56.400 0.098 0.000 0.818 743 E CB -0.078 29.653 29.700 0.052 0.000 0.758 743 E HN 0.593 nan 8.360 nan 0.000 0.467 744 Q N 0.500 120.330 119.800 0.050 0.000 2.079 744 Q HA -0.106 4.229 4.340 -0.008 0.000 0.200 744 Q C 2.351 178.492 176.000 0.235 0.000 0.974 744 Q CA 0.922 56.755 55.803 0.050 0.000 0.840 744 Q CB -0.025 28.615 28.738 -0.164 0.000 0.898 744 Q HN 0.292 nan 8.270 nan 0.000 0.430 745 L N 0.005 121.387 121.223 0.264 0.000 2.017 745 L HA -0.185 4.150 4.340 -0.008 0.000 0.208 745 L C 2.427 179.471 176.870 0.290 0.000 1.073 745 L CA 1.034 56.067 54.840 0.322 0.000 0.745 745 L CB -0.370 41.808 42.059 0.198 0.000 0.894 745 L HN 0.139 nan 8.230 nan 0.000 0.432 746 S N -0.351 115.475 115.700 0.210 0.000 2.383 746 S HA -0.139 4.326 4.470 -0.008 0.000 0.227 746 S C 2.058 176.752 174.600 0.155 0.000 1.026 746 S CA 1.433 59.738 58.200 0.174 0.000 0.981 746 S CB -0.206 63.079 63.200 0.142 0.000 0.818 746 S HN 0.599 nan 8.310 nan 0.000 0.472 747 S N 0.482 116.275 115.700 0.154 0.000 2.561 747 S HA 0.308 4.773 4.470 -0.008 0.000 0.225 747 S C 1.456 176.136 174.600 0.132 0.000 0.977 747 S CA 0.701 58.978 58.200 0.128 0.000 0.926 747 S CB -0.137 63.134 63.200 0.119 0.000 0.769 747 S HN 0.791 nan 8.310 nan 0.000 0.533 748 G N 0.594 109.503 108.800 0.181 0.000 2.131 748 G HA2 -0.297 3.658 3.960 -0.008 0.000 0.223 748 G HA3 -0.297 3.658 3.960 -0.008 0.000 0.223 748 G C 0.218 175.199 174.900 0.134 0.000 0.990 748 G CA 0.134 45.329 45.100 0.160 0.000 0.671 748 G HN 0.539 nan 8.290 nan 0.000 0.521 749 F N 0.381 120.319 119.950 -0.021 0.000 2.202 749 F HA 0.148 4.670 4.527 -0.009 0.000 0.301 749 F C 1.804 177.397 175.800 -0.345 0.000 1.082 749 F CA 1.981 59.847 58.000 -0.223 0.000 1.313 749 F CB -0.081 38.700 39.000 -0.366 0.000 1.024 749 F HN 0.172 nan 8.300 nan 0.000 0.495 750 F N -0.359 119.763 119.950 0.286 0.000 2.664 750 F HA 0.213 4.735 4.527 -0.008 0.000 0.303 750 F C 0.675 176.587 175.800 0.187 0.000 1.092 750 F CA 0.277 58.398 58.000 0.201 0.000 1.305 750 F CB -0.157 38.968 39.000 0.208 0.000 1.054 750 F HN -0.009 nan 8.300 nan 0.000 0.565 751 S N -2.098 113.741 115.700 0.232 0.000 2.605 751 S HA 0.314 4.778 4.470 -0.008 0.000 0.142 751 S C -2.438 172.170 174.600 0.013 0.000 1.452 751 S CA -1.009 57.250 58.200 0.099 0.000 1.240 751 S CB 0.839 64.048 63.200 0.016 0.000 1.538 751 S HN -0.180 nan 8.310 nan 0.000 0.394 752 P HA -0.168 nan 4.420 nan 0.000 0.215 752 P C 1.214 178.493 177.300 -0.035 0.000 1.163 752 P CA 1.582 64.647 63.100 -0.058 0.000 0.894 752 P CB 0.074 31.717 31.700 -0.095 0.000 0.791 753 K N -1.138 119.243 120.400 -0.032 0.000 2.288 753 K HA -0.058 4.257 4.320 -0.008 0.000 0.201 753 K C 0.685 177.274 176.600 -0.017 0.000 1.048 753 K CA 0.896 57.169 56.287 -0.023 0.000 0.956 753 K CB -0.080 32.408 32.500 -0.019 0.000 0.746 753 K HN 0.362 nan 8.250 nan 0.000 0.461 754 Q N -0.346 119.441 119.800 -0.023 0.000 3.122 754 Q HA 0.151 4.486 4.340 -0.008 0.000 0.282 754 Q C -2.379 173.602 176.000 -0.031 0.000 0.947 754 Q CA -1.569 54.215 55.803 -0.031 0.000 0.812 754 Q CB 1.514 30.224 28.738 -0.047 0.000 1.333 754 Q HN -0.087 nan 8.270 nan 0.000 0.430 755 P HA -0.245 nan 4.420 nan 0.000 0.218 755 P C 0.583 177.910 177.300 0.044 0.000 1.152 755 P CA 1.653 64.771 63.100 0.029 0.000 0.857 755 P CB 0.180 31.897 31.700 0.028 0.000 0.787 756 D N -1.789 118.623 120.400 0.020 0.000 2.427 756 D HA 0.008 4.643 4.640 -0.008 0.000 0.224 756 D C 1.460 177.755 176.300 -0.008 0.000 1.157 756 D CA -0.325 53.696 54.000 0.035 0.000 0.828 756 D CB -0.850 39.975 40.800 0.040 0.000 0.974 756 D HN 0.017 nan 8.370 nan 0.000 0.498 757 L N -0.196 120.955 121.223 -0.120 0.000 2.043 757 L HA -0.008 4.327 4.340 -0.008 0.000 0.212 757 L C 1.065 177.732 176.870 -0.338 0.000 1.075 757 L CA 1.683 56.343 54.840 -0.300 0.000 0.752 757 L CB -0.603 41.095 42.059 -0.603 0.000 0.891 757 L HN 0.023 nan 8.230 nan 0.000 0.432 758 F N -0.372 119.631 119.950 0.089 0.000 2.713 758 F HA 0.136 4.658 4.527 -0.008 0.000 0.294 758 F C 1.846 177.696 175.800 0.083 0.000 1.152 758 F CA -0.168 57.875 58.000 0.072 0.000 1.385 758 F CB -0.337 38.694 39.000 0.052 0.000 0.981 758 F HN 0.123 nan 8.300 nan 0.000 0.514 759 K N -0.311 120.204 120.400 0.192 0.000 2.097 759 K HA -0.174 4.140 4.320 -0.008 0.000 0.206 759 K C 0.984 177.682 176.600 0.164 0.000 1.049 759 K CA 1.897 58.279 56.287 0.159 0.000 0.933 759 K CB -0.249 32.321 32.500 0.116 0.000 0.717 759 K HN 0.101 nan 8.250 nan 0.000 0.442 760 D N 1.385 121.898 120.400 0.188 0.000 2.117 760 D HA -0.100 4.535 4.640 -0.008 0.000 0.197 760 D C 2.093 178.499 176.300 0.177 0.000 0.987 760 D CA 1.188 55.311 54.000 0.205 0.000 0.829 760 D CB -0.126 40.841 40.800 0.279 0.000 0.961 760 D HN 0.318 nan 8.370 nan 0.000 0.460 761 I N 0.643 121.318 120.570 0.175 0.000 2.179 761 I HA -0.220 3.945 4.170 -0.008 0.000 0.242 761 I C 2.477 178.632 176.117 0.063 0.000 1.088 761 I CA 0.649 62.015 61.300 0.111 0.000 1.357 761 I CB -0.229 37.831 38.000 0.101 0.000 1.051 761 I HN -0.119 nan 8.210 nan 0.000 0.409 762 V N 1.158 121.127 119.914 0.092 0.000 2.343 762 V HA -0.293 3.822 4.120 -0.008 0.000 0.247 762 V C 2.229 178.305 176.094 -0.030 0.000 1.051 762 V CA 2.339 64.673 62.300 0.057 0.000 1.036 762 V CB -0.974 30.910 31.823 0.102 0.000 0.654 762 V HN 0.475 nan 8.190 nan 0.000 0.451 763 N N -0.088 118.620 118.700 0.013 0.000 2.084 763 N HA -0.211 4.524 4.740 -0.008 0.000 0.190 763 N C 1.859 177.206 175.510 -0.271 0.000 1.030 763 N CA 1.837 54.883 53.050 -0.006 0.000 0.849 763 N CB -0.284 38.287 38.487 0.140 0.000 1.012 763 N HN 0.324 nan 8.380 nan 0.000 0.423 764 M N -0.168 119.297 119.600 -0.226 0.000 2.067 764 M HA -0.110 4.365 4.480 -0.008 0.000 0.260 764 M C 1.517 177.602 176.300 -0.359 0.000 1.069 764 M CA 1.329 56.395 55.300 -0.391 0.000 1.117 764 M CB -0.726 31.896 32.600 0.037 0.000 1.334 764 M HN 0.224 nan 8.290 nan 0.000 0.407 765 L N 0.783 121.849 121.223 -0.261 0.000 2.042 765 L HA -0.225 4.110 4.340 -0.008 0.000 0.210 765 L C 2.465 178.996 176.870 -0.566 0.000 1.076 765 L CA 1.733 56.330 54.840 -0.404 0.000 0.749 765 L CB -1.027 40.847 42.059 -0.308 0.000 0.893 765 L HN 0.356 nan 8.230 nan 0.000 0.432 766 M N -2.045 117.266 119.600 -0.481 0.000 2.334 766 M HA -0.057 4.418 4.480 -0.008 0.000 0.266 766 M C 1.816 177.678 176.300 -0.730 0.000 1.082 766 M CA 1.357 56.295 55.300 -0.603 0.000 1.141 766 M CB -0.775 31.386 32.600 -0.731 0.000 1.380 766 M HN 0.335 nan 8.290 nan 0.000 0.440 767 H N -1.768 117.135 119.070 -0.278 0.000 3.017 767 H HA 0.195 4.746 4.556 -0.008 0.000 0.255 767 H C 0.034 175.298 175.328 -0.107 0.000 0.990 767 H CA 0.597 56.531 56.048 -0.191 0.000 1.205 767 H CB 0.268 29.965 29.762 -0.108 0.000 1.460 767 H HN 0.544 nan 8.280 nan 0.000 0.478 768 H N -1.244 117.879 119.070 0.089 0.000 2.823 768 H HA 0.283 4.833 4.556 -0.008 0.000 0.222 768 H C -1.261 174.090 175.328 0.038 0.000 1.414 768 H CA -0.709 55.382 56.048 0.071 0.000 1.289 768 H CB -0.085 29.721 29.762 0.074 0.000 1.970 768 H HN -0.118 nan 8.280 nan 0.000 0.517 769 D N 1.355 121.790 120.400 0.057 0.000 2.411 769 D HA 0.155 4.790 4.640 -0.008 0.000 0.225 769 D C 0.853 177.109 176.300 -0.073 0.000 1.156 769 D CA -0.511 53.499 54.000 0.017 0.000 0.874 769 D CB 0.762 41.542 40.800 -0.035 0.000 1.034 769 D HN 0.482 nan 8.370 nan 0.000 0.502 770 R N 2.305 122.676 120.500 -0.216 0.000 2.237 770 R HA -0.040 4.295 4.340 -0.008 0.000 0.219 770 R C 0.602 176.400 176.300 -0.837 0.000 1.080 770 R CA 0.873 56.634 56.100 -0.565 0.000 0.995 770 R CB 0.069 29.857 30.300 -0.854 0.000 0.875 770 R HN 0.407 nan 8.270 nan 0.000 0.462 771 F N 0.587 120.507 119.950 -0.051 0.000 2.639 771 F HA 0.256 4.778 4.527 -0.008 0.000 0.302 771 F C 0.051 175.730 175.800 -0.202 0.000 1.097 771 F CA -0.690 57.261 58.000 -0.083 0.000 1.294 771 F CB 0.103 39.115 39.000 0.019 0.000 1.027 771 F HN -0.245 nan 8.300 nan 0.000 0.550 772 K N -0.334 119.866 120.400 -0.334 0.000 3.278 772 K HA -0.188 4.127 4.320 -0.008 0.000 0.270 772 K C 1.030 177.512 176.600 -0.198 0.000 0.955 772 K CA 0.169 56.091 56.287 -0.607 0.000 0.723 772 K CB -1.790 30.257 32.500 -0.755 0.000 1.382 772 K HN 0.218 nan 8.250 nan 0.000 0.461 773 V N 0.113 119.990 119.914 -0.062 0.000 2.255 773 V HA -0.297 3.818 4.120 -0.008 0.000 0.247 773 V C 1.986 178.217 176.094 0.227 0.000 1.051 773 V CA 2.329 64.672 62.300 0.072 0.000 1.018 773 V CB -0.510 31.358 31.823 0.076 0.000 0.641 773 V HN 0.519 nan 8.190 nan 0.000 0.445 774 F N 0.304 120.255 119.950 0.002 0.000 2.161 774 F HA -0.234 4.288 4.527 -0.009 0.000 0.300 774 F C 2.560 178.168 175.800 -0.320 0.000 1.089 774 F CA 0.738 58.687 58.000 -0.085 0.000 1.282 774 F CB -0.457 38.495 39.000 -0.080 0.000 1.010 774 F HN 0.207 nan 8.300 nan 0.000 0.485 775 A N -0.476 122.178 122.820 -0.277 0.000 2.024 775 A HA -0.216 4.099 4.320 -0.008 0.000 0.220 775 A C 1.460 179.052 177.584 0.014 0.000 1.164 775 A CA 2.028 53.838 52.037 -0.378 0.000 0.643 775 A CB -0.486 18.416 19.000 -0.163 0.000 0.806 775 A HN 0.269 nan 8.150 nan 0.000 0.451 776 D N -2.987 117.477 120.400 0.107 0.000 2.398 776 D HA 0.100 4.735 4.640 -0.008 0.000 0.210 776 D C 1.118 177.597 176.300 0.298 0.000 1.094 776 D CA -0.091 54.045 54.000 0.227 0.000 0.839 776 D CB -0.102 40.838 40.800 0.235 0.000 0.963 776 D HN 0.593 nan 8.370 nan 0.000 0.506 777 Y N 2.146 122.541 120.300 0.158 0.000 2.070 777 Y HA -0.235 4.310 4.550 -0.008 0.000 0.280 777 Y C 2.130 178.126 175.900 0.159 0.000 1.148 777 Y CA 1.926 60.127 58.100 0.169 0.000 1.125 777 Y CB 0.185 38.707 38.460 0.103 0.000 0.975 777 Y HN -0.110 nan 8.280 nan 0.000 0.492 778 E N -0.070 120.206 120.200 0.127 0.000 2.038 778 E HA -0.290 4.055 4.350 -0.008 0.000 0.195 778 E C 2.233 178.810 176.600 -0.039 0.000 1.000 778 E CA 1.632 58.030 56.400 -0.004 0.000 0.803 778 E CB -0.223 29.574 29.700 0.161 0.000 0.750 778 E HN 0.607 nan 8.360 nan 0.000 0.448 779 E N -0.435 119.823 120.200 0.096 0.000 2.153 779 E HA -0.204 4.141 4.350 -0.008 0.000 0.194 779 E C 1.878 178.490 176.600 0.021 0.000 0.988 779 E CA 0.644 57.122 56.400 0.130 0.000 0.811 779 E CB -0.045 29.822 29.700 0.277 0.000 0.746 779 E HN 0.245 nan 8.360 nan 0.000 0.466 780 Y N 0.599 120.736 120.300 -0.271 0.000 2.163 780 Y HA -0.208 4.336 4.550 -0.009 0.000 0.288 780 Y C 2.014 177.531 175.900 -0.639 0.000 1.136 780 Y CA 1.188 58.791 58.100 -0.827 0.000 1.147 780 Y CB -0.528 37.521 38.460 -0.684 0.000 0.987 780 Y HN -0.153 nan 8.280 nan 0.000 0.509 781 V N 0.430 120.007 119.914 -0.562 0.000 2.343 781 V HA -0.292 3.823 4.120 -0.008 0.000 0.247 781 V C 2.346 178.212 176.094 -0.380 0.000 1.051 781 V CA 2.281 64.258 62.300 -0.537 0.000 1.036 781 V CB -0.663 30.870 31.823 -0.483 0.000 0.654 781 V HN 0.194 nan 8.190 nan 0.000 0.451 782 K N -0.461 119.781 120.400 -0.263 0.000 2.057 782 K HA -0.171 4.144 4.320 -0.008 0.000 0.207 782 K C 2.247 178.749 176.600 -0.164 0.000 1.049 782 K CA 1.818 58.014 56.287 -0.153 0.000 0.931 782 K CB -1.028 31.433 32.500 -0.065 0.000 0.714 782 K HN 0.533 nan 8.250 nan 0.000 0.440 783 C N 0.786 119.961 119.300 -0.208 0.000 2.429 783 C HA -0.088 4.367 4.460 -0.008 0.000 0.277 783 C C 2.442 177.232 174.990 -0.333 0.000 1.262 783 C CA 0.752 59.667 59.018 -0.171 0.000 1.733 783 C CB -0.710 26.945 27.740 -0.142 0.000 2.010 783 C HN 0.475 nan 8.230 nan 0.000 0.483 784 Q N 0.388 119.859 119.800 -0.549 0.000 2.226 784 Q HA -0.161 4.174 4.340 -0.008 0.000 0.204 784 Q C 1.998 177.787 176.000 -0.352 0.000 0.975 784 Q CA 1.543 56.981 55.803 -0.609 0.000 0.866 784 Q CB -0.360 27.776 28.738 -1.004 0.000 0.915 784 Q HN 0.766 nan 8.270 nan 0.000 0.440 785 E N 0.134 120.188 120.200 -0.243 0.000 2.107 785 E HA -0.109 4.236 4.350 -0.008 0.000 0.191 785 E C 2.018 178.562 176.600 -0.094 0.000 0.982 785 E CA 0.410 56.730 56.400 -0.133 0.000 0.809 785 E CB -0.010 29.635 29.700 -0.091 0.000 0.756 785 E HN 0.270 nan 8.360 nan 0.000 0.459 786 R N 0.542 120.986 120.500 -0.093 0.000 2.148 786 R HA -0.063 4.272 4.340 -0.008 0.000 0.227 786 R C 2.364 178.632 176.300 -0.054 0.000 1.103 786 R CA 0.732 56.837 56.100 0.010 0.000 0.983 786 R CB -0.198 30.178 30.300 0.127 0.000 0.874 786 R HN 0.054 nan 8.270 nan 0.000 0.451 787 V N 0.501 120.195 119.914 -0.367 0.000 2.307 787 V HA -0.207 3.908 4.120 -0.008 0.000 0.245 787 V C 2.120 178.192 176.094 -0.037 0.000 1.045 787 V CA 1.892 63.894 62.300 -0.497 0.000 1.024 787 V CB -0.286 31.136 31.823 -0.668 0.000 0.651 787 V HN 0.268 nan 8.190 nan 0.000 0.449 788 S N 0.297 115.946 115.700 -0.084 0.000 2.399 788 S HA -0.150 4.315 4.470 -0.008 0.000 0.231 788 S C 2.181 176.836 174.600 0.090 0.000 1.022 788 S CA 1.320 59.510 58.200 -0.017 0.000 0.983 788 S CB -0.438 62.723 63.200 -0.065 0.000 0.803 788 S HN 0.643 nan 8.310 nan 0.000 0.480 789 A N 1.351 124.225 122.820 0.089 0.000 1.898 789 A HA 0.046 4.361 4.320 -0.008 0.000 0.216 789 A C 2.088 179.784 177.584 0.187 0.000 1.181 789 A CA 1.000 53.111 52.037 0.124 0.000 0.620 789 A CB -0.664 18.398 19.000 0.103 0.000 0.819 789 A HN 0.462 nan 8.150 nan 0.000 0.442 790 L N -2.075 119.317 121.223 0.283 0.000 2.093 790 L HA -0.140 4.194 4.340 -0.008 0.000 0.208 790 L C 2.464 179.613 176.870 0.465 0.000 1.085 790 L CA 1.600 56.682 54.840 0.403 0.000 0.755 790 L CB -0.354 42.046 42.059 0.569 0.000 0.904 790 L HN 0.577 nan 8.230 nan 0.000 0.435 791 Y N 1.026 121.475 120.300 0.248 0.000 2.333 791 Y HA -0.268 4.277 4.550 -0.007 0.000 0.290 791 Y C 2.334 178.175 175.900 -0.099 0.000 1.144 791 Y CA 1.599 59.587 58.100 -0.186 0.000 1.228 791 Y CB -0.065 38.079 38.460 -0.528 0.000 0.985 791 Y HN 0.081 nan 8.280 nan 0.000 0.542 792 K N -0.195 120.248 120.400 0.072 0.000 2.442 792 K HA -0.120 4.195 4.320 -0.008 0.000 0.198 792 K C 0.422 177.007 176.600 -0.025 0.000 1.042 792 K CA 0.695 57.004 56.287 0.035 0.000 0.958 792 K CB -0.078 32.486 32.500 0.108 0.000 0.766 792 K HN 0.064 nan 8.250 nan 0.000 0.474 793 N N 0.594 119.295 118.700 0.001 0.000 2.976 793 N HA 0.130 4.865 4.740 -0.008 0.000 0.255 793 N C -2.438 173.072 175.510 0.001 0.000 1.312 793 N CA -2.118 50.938 53.050 0.010 0.000 0.897 793 N CB 1.088 39.614 38.487 0.064 0.000 1.184 793 N HN -0.196 nan 8.380 nan 0.000 0.497 794 P HA -0.252 nan 4.420 nan 0.000 0.219 794 P C 1.422 178.730 177.300 0.014 0.000 1.161 794 P CA 1.476 64.502 63.100 -0.122 0.000 0.909 794 P CB 0.294 31.902 31.700 -0.154 0.000 0.793 795 R N -0.170 120.338 120.500 0.012 0.000 2.083 795 R HA -0.183 4.152 4.340 -0.008 0.000 0.237 795 R C 2.001 178.340 176.300 0.065 0.000 1.137 795 R CA 1.611 57.731 56.100 0.033 0.000 0.951 795 R CB -0.469 29.842 30.300 0.019 0.000 0.851 795 R HN 0.112 nan 8.270 nan 0.000 0.434 796 E N -0.102 120.146 120.200 0.081 0.000 2.152 796 E HA -0.209 4.136 4.350 -0.008 0.000 0.192 796 E C 1.596 178.268 176.600 0.121 0.000 0.983 796 E CA 0.638 57.089 56.400 0.085 0.000 0.818 796 E CB -0.416 29.333 29.700 0.082 0.000 0.758 796 E HN 0.536 nan 8.360 nan 0.000 0.467 797 W N 2.154 123.449 121.300 -0.009 0.000 2.355 797 W HA -0.163 4.491 4.660 -0.010 0.000 0.309 797 W C 1.568 178.091 176.519 0.005 0.000 1.206 797 W CA 1.977 59.331 57.345 0.015 0.000 1.284 797 W CB -0.414 29.027 29.460 -0.032 0.000 1.145 797 W HN 0.013 nan 8.180 nan 0.000 0.502 798 T N 1.303 115.995 114.554 0.229 0.000 2.788 798 T HA -0.170 4.174 4.350 -0.008 0.000 0.268 798 T C 1.856 176.563 174.700 0.012 0.000 1.044 798 T CA 1.720 63.887 62.100 0.110 0.000 1.139 798 T CB -0.281 68.633 68.868 0.077 0.000 0.867 798 T HN 0.175 nan 8.240 nan 0.000 0.454 799 R N 0.428 120.940 120.500 0.020 0.000 2.092 799 R HA 0.099 4.434 4.340 -0.008 0.000 0.231 799 R C 2.487 178.773 176.300 -0.023 0.000 1.119 799 R CA 1.139 57.249 56.100 0.017 0.000 0.970 799 R CB -0.323 29.994 30.300 0.028 0.000 0.864 799 R HN 0.371 nan 8.270 nan 0.000 0.440 800 M N 0.479 120.026 119.600 -0.087 0.000 2.200 800 M HA -0.119 4.355 4.480 -0.008 0.000 0.265 800 M C 1.887 178.089 176.300 -0.163 0.000 1.066 800 M CA 1.288 56.499 55.300 -0.149 0.000 1.127 800 M CB 0.226 32.676 32.600 -0.251 0.000 1.379 800 M HN -0.023 nan 8.290 nan 0.000 0.420 801 V N 0.933 120.732 119.914 -0.192 0.000 2.295 801 V HA -0.310 3.805 4.120 -0.008 0.000 0.246 801 V C 2.225 178.297 176.094 -0.036 0.000 1.049 801 V CA 1.969 64.188 62.300 -0.135 0.000 1.024 801 V CB -0.605 31.167 31.823 -0.085 0.000 0.648 801 V HN 0.507 nan 8.190 nan 0.000 0.447 802 I N -0.557 120.013 120.570 -0.001 0.000 2.264 802 I HA -0.271 3.894 4.170 -0.008 0.000 0.248 802 I C 2.698 178.863 176.117 0.080 0.000 1.111 802 I CA 1.577 62.924 61.300 0.080 0.000 1.382 802 I CB -0.426 37.668 38.000 0.157 0.000 1.060 802 I HN 0.224 nan 8.210 nan 0.000 0.418 803 R N 0.394 120.917 120.500 0.039 0.000 2.148 803 R HA -0.095 4.240 4.340 -0.008 0.000 0.227 803 R C 1.983 178.314 176.300 0.051 0.000 1.103 803 R CA 0.999 57.122 56.100 0.038 0.000 0.983 803 R CB -0.320 29.986 30.300 0.011 0.000 0.874 803 R HN 0.536 nan 8.270 nan 0.000 0.451 804 N N 0.548 119.272 118.700 0.040 0.000 2.173 804 N HA -0.051 4.684 4.740 -0.008 0.000 0.184 804 N C 1.933 177.502 175.510 0.099 0.000 1.025 804 N CA 0.953 54.050 53.050 0.078 0.000 0.852 804 N CB 0.036 38.540 38.487 0.028 0.000 0.998 804 N HN 0.113 nan 8.380 nan 0.000 0.427 805 I N 1.660 122.277 120.570 0.077 0.000 2.208 805 I HA -0.240 3.925 4.170 -0.008 0.000 0.245 805 I C 2.451 178.621 176.117 0.088 0.000 1.097 805 I CA 0.890 62.242 61.300 0.086 0.000 1.363 805 I CB -0.331 37.713 38.000 0.074 0.000 1.051 805 I HN 0.089 nan 8.210 nan 0.000 0.413 806 A N 0.350 123.221 122.820 0.085 0.000 2.070 806 A HA -0.168 4.147 4.320 -0.008 0.000 0.220 806 A C 2.074 179.696 177.584 0.063 0.000 1.159 806 A CA 2.070 54.148 52.037 0.068 0.000 0.656 806 A CB -0.854 18.189 19.000 0.070 0.000 0.800 806 A HN 0.541 nan 8.150 nan 0.000 0.453 807 T N -2.949 111.657 114.554 0.087 0.000 3.174 807 T HA 0.201 4.546 4.350 -0.008 0.000 0.269 807 T C 1.054 175.845 174.700 0.152 0.000 1.017 807 T CA 0.606 62.760 62.100 0.091 0.000 0.899 807 T CB -0.194 68.727 68.868 0.088 0.000 1.077 807 T HN 0.469 nan 8.240 nan 0.000 0.552 808 S N -0.092 115.717 115.700 0.180 0.000 2.593 808 S HA 0.276 4.740 4.470 -0.008 0.000 0.217 808 S C 2.179 176.899 174.600 0.200 0.000 0.966 808 S CA 0.200 58.586 58.200 0.309 0.000 0.914 808 S CB -0.520 62.839 63.200 0.265 0.000 0.776 808 S HN 0.517 nan 8.310 nan 0.000 0.523 809 G N 2.857 111.698 108.800 0.068 0.000 2.469 809 G HA2 -0.305 3.649 3.960 -0.008 0.000 0.219 809 G HA3 -0.305 3.649 3.960 -0.008 0.000 0.219 809 G C 1.318 176.156 174.900 -0.105 0.000 1.150 809 G CA 1.079 46.184 45.100 0.009 0.000 0.763 809 G HN 0.610 nan 8.290 nan 0.000 0.561 810 K N -0.107 120.106 120.400 -0.313 0.000 2.281 810 K HA -0.040 4.275 4.320 -0.008 0.000 0.203 810 K C 1.252 177.488 176.600 -0.607 0.000 1.046 810 K CA 0.752 56.717 56.287 -0.536 0.000 0.938 810 K CB -0.280 31.738 32.500 -0.804 0.000 0.737 810 K HN 0.413 nan 8.250 nan 0.000 0.458 811 F N 0.932 120.911 119.950 0.048 0.000 2.693 811 F HA 0.126 4.647 4.527 -0.009 0.000 0.303 811 F C 0.796 176.640 175.800 0.074 0.000 1.143 811 F CA -0.564 57.471 58.000 0.059 0.000 1.389 811 F CB 0.357 39.388 39.000 0.052 0.000 1.060 811 F HN -0.114 nan 8.300 nan 0.000 0.535 812 S N 0.261 116.034 115.700 0.123 0.000 2.545 812 S HA 0.093 4.558 4.470 -0.008 0.000 0.275 812 S C 1.412 176.091 174.600 0.131 0.000 1.299 812 S CA -0.273 58.002 58.200 0.124 0.000 1.048 812 S CB 0.871 64.114 63.200 0.072 0.000 0.938 812 S HN 0.334 nan 8.310 nan 0.000 0.496 813 S N 3.184 118.988 115.700 0.172 0.000 2.507 813 S HA -0.068 4.397 4.470 -0.008 0.000 0.235 813 S C 0.895 175.553 174.600 0.096 0.000 0.988 813 S CA 0.636 58.962 58.200 0.209 0.000 0.944 813 S CB -0.306 63.089 63.200 0.326 0.000 0.762 813 S HN 0.785 nan 8.310 nan 0.000 0.526 814 D N 1.796 122.234 120.400 0.064 0.000 2.144 814 D HA -0.053 4.582 4.640 -0.008 0.000 0.200 814 D C 2.110 178.413 176.300 0.006 0.000 0.978 814 D CA 0.656 54.671 54.000 0.024 0.000 0.833 814 D CB -0.289 40.522 40.800 0.018 0.000 0.961 814 D HN 0.295 nan 8.370 nan 0.000 0.470 815 R N 0.911 121.416 120.500 0.009 0.000 2.075 815 R HA -0.073 4.262 4.340 -0.008 0.000 0.232 815 R C 1.822 178.113 176.300 -0.015 0.000 1.126 815 R CA 1.272 57.364 56.100 -0.015 0.000 0.963 815 R CB -0.746 29.532 30.300 -0.037 0.000 0.858 815 R HN 0.090 nan 8.270 nan 0.000 0.435 816 T N 2.241 116.809 114.554 0.024 0.000 2.684 816 T HA -0.113 4.232 4.350 -0.008 0.000 0.267 816 T C 1.917 176.620 174.700 0.004 0.000 1.036 816 T CA 1.371 63.504 62.100 0.054 0.000 1.148 816 T CB -0.116 68.860 68.868 0.179 0.000 0.863 816 T HN 0.101 nan 8.240 nan 0.000 0.436 817 I N 1.660 122.156 120.570 -0.124 0.000 2.286 817 I HA -0.081 4.084 4.170 -0.008 0.000 0.248 817 I C 2.888 178.957 176.117 -0.081 0.000 1.115 817 I CA 0.884 62.072 61.300 -0.188 0.000 1.392 817 I CB -1.611 36.283 38.000 -0.177 0.000 1.065 817 I HN 0.193 nan 8.210 nan 0.000 0.418 818 A N 0.187 122.979 122.820 -0.047 0.000 1.933 818 A HA -0.223 4.092 4.320 -0.008 0.000 0.218 818 A C 2.244 179.783 177.584 -0.075 0.000 1.175 818 A CA 1.333 53.350 52.037 -0.034 0.000 0.628 818 A CB -0.498 18.489 19.000 -0.023 0.000 0.814 818 A HN 0.511 nan 8.150 nan 0.000 0.444 819 Q N -1.894 117.843 119.800 -0.105 0.000 2.083 819 Q HA -0.144 4.191 4.340 -0.008 0.000 0.198 819 Q C 1.902 177.731 176.000 -0.286 0.000 0.969 819 Q CA 1.521 57.223 55.803 -0.170 0.000 0.838 819 Q CB -0.292 28.336 28.738 -0.183 0.000 0.900 819 Q HN 0.818 nan 8.270 nan 0.000 0.436 820 Y N 0.687 120.691 120.300 -0.492 0.000 2.145 820 Y HA -0.274 4.271 4.550 -0.009 0.000 0.286 820 Y C 2.484 177.797 175.900 -0.978 0.000 1.145 820 Y CA 1.263 58.816 58.100 -0.911 0.000 1.148 820 Y CB -0.384 37.226 38.460 -1.416 0.000 0.981 820 Y HN 0.155 nan 8.280 nan 0.000 0.507 821 A N 0.347 122.926 122.820 -0.401 0.000 1.865 821 A HA -0.221 4.093 4.320 -0.008 0.000 0.217 821 A C 2.250 179.846 177.584 0.020 0.000 1.191 821 A CA 2.035 54.088 52.037 0.026 0.000 0.623 821 A CB -0.529 18.564 19.000 0.156 0.000 0.826 821 A HN 0.419 nan 8.150 nan 0.000 0.444 822 R N -0.614 119.859 120.500 -0.046 0.000 2.075 822 R HA -0.021 4.314 4.340 -0.008 0.000 0.226 822 R C 1.818 178.093 176.300 -0.042 0.000 1.114 822 R CA 1.388 57.474 56.100 -0.023 0.000 0.972 822 R CB -0.214 30.069 30.300 -0.030 0.000 0.869 822 R HN 0.668 nan 8.270 nan 0.000 0.437 823 E N -0.217 119.917 120.200 -0.110 0.000 2.400 823 E HA 0.073 4.417 4.350 -0.008 0.000 0.195 823 E C 1.496 178.042 176.600 -0.091 0.000 1.012 823 E CA 0.533 56.871 56.400 -0.103 0.000 0.875 823 E CB 0.468 30.079 29.700 -0.149 0.000 0.859 823 E HN 0.323 nan 8.360 nan 0.000 0.498 824 I N -1.160 119.320 120.570 -0.150 0.000 3.739 824 I HA 0.021 4.186 4.170 -0.008 0.000 0.272 824 I C 1.325 177.569 176.117 0.213 0.000 1.167 824 I CA -0.081 61.188 61.300 -0.052 0.000 1.386 824 I CB 0.233 38.062 38.000 -0.286 0.000 1.490 824 I HN 0.106 nan 8.210 nan 0.000 0.452 825 W N 1.617 123.007 121.300 0.149 0.000 2.658 825 W HA 0.321 4.976 4.660 -0.008 0.000 0.263 825 W C 1.479 178.035 176.519 0.061 0.000 1.274 825 W CA 0.795 58.210 57.345 0.118 0.000 1.343 825 W CB -1.099 28.418 29.460 0.094 0.000 1.106 825 W HN 0.320 nan 8.180 nan 0.000 0.615 826 G N 1.220 110.160 108.800 0.232 0.000 2.256 826 G HA2 -0.096 3.859 3.960 -0.008 0.000 0.272 826 G HA3 -0.096 3.859 3.960 -0.008 0.000 0.272 826 G C -0.329 174.644 174.900 0.122 0.000 1.076 826 G CA 0.247 45.427 45.100 0.132 0.000 0.882 826 G HN 0.445 nan 8.290 nan 0.000 0.497 827 V N -4.363 115.642 119.914 0.151 0.000 3.007 827 V HA 0.912 5.027 4.120 -0.008 0.000 0.311 827 V C -0.451 175.702 176.094 0.098 0.000 1.120 827 V CA -1.671 60.698 62.300 0.116 0.000 0.980 827 V CB 2.357 34.258 31.823 0.131 0.000 1.033 827 V HN 0.132 nan 8.190 nan 0.000 0.429 828 E N 3.881 124.121 120.200 0.068 0.000 2.156 828 E HA 0.511 4.856 4.350 -0.008 0.000 0.279 828 E C -2.520 174.114 176.600 0.058 0.000 0.965 828 E CA -1.789 54.644 56.400 0.054 0.000 0.789 828 E CB 1.865 31.588 29.700 0.040 0.000 1.098 828 E HN 0.772 nan 8.360 nan 0.000 0.397 829 P HA 0.087 nan 4.420 nan 0.000 0.271 829 P C -0.465 176.863 177.300 0.046 0.000 1.218 829 P CA -0.284 62.848 63.100 0.054 0.000 0.780 829 P CB 1.060 32.787 31.700 0.045 0.000 0.901 830 S N 1.343 117.073 115.700 0.050 0.000 2.538 830 S HA 0.372 4.837 4.470 -0.008 0.000 0.288 830 S C 0.432 175.058 174.600 0.042 0.000 1.108 830 S CA -0.756 57.472 58.200 0.047 0.000 0.971 830 S CB 0.965 64.201 63.200 0.060 0.000 1.041 830 S HN 0.283 nan 8.310 nan 0.000 0.483 831 R N 2.374 122.895 120.500 0.034 0.000 2.468 831 R HA 0.216 4.551 4.340 -0.008 0.000 0.280 831 R C -0.251 176.062 176.300 0.022 0.000 0.963 831 R CA -0.002 56.117 56.100 0.031 0.000 1.083 831 R CB 0.286 30.603 30.300 0.029 0.000 1.200 831 R HN 0.683 nan 8.270 nan 0.000 0.541 832 Q N 1.000 120.813 119.800 0.022 0.000 2.286 832 Q HA 0.183 4.518 4.340 -0.008 0.000 0.257 832 Q C -0.271 175.724 176.000 -0.008 0.000 0.941 832 Q CA -0.100 55.709 55.803 0.009 0.000 0.912 832 Q CB 1.169 29.917 28.738 0.017 0.000 1.192 832 Q HN -0.214 nan 8.270 nan 0.000 0.410 833 R N 1.388 121.874 120.500 -0.023 0.000 2.641 833 R HA 0.316 4.651 4.340 -0.008 0.000 0.269 833 R C -0.468 175.793 176.300 -0.066 0.000 1.074 833 R CA 0.012 56.085 56.100 -0.044 0.000 1.133 833 R CB 0.448 30.720 30.300 -0.047 0.000 1.029 833 R HN 0.488 nan 8.270 nan 0.000 0.488 834 L N 4.123 125.291 121.223 -0.093 0.000 2.334 834 L HA 0.478 4.813 4.340 -0.008 0.000 0.275 834 L C -1.851 174.959 176.870 -0.101 0.000 1.036 834 L CA -2.266 52.490 54.840 -0.141 0.000 0.807 834 L CB 1.802 43.739 42.059 -0.202 0.000 1.231 834 L HN 0.463 nan 8.230 nan 0.000 0.438 835 P HA 0.068 nan 4.420 nan 0.000 0.266 835 P C -0.625 176.644 177.300 -0.052 0.000 1.215 835 P CA -0.081 62.983 63.100 -0.059 0.000 0.763 835 P CB 0.977 32.648 31.700 -0.048 0.000 0.806 836 A N 0.000 122.797 122.820 -0.038 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.008 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 836 A CB 0.000 18.988 19.000 -0.019 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486