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 2qn1_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 KSSKFGXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.774 55.803 -0.049 0.000 1.022 12 Q CB 0.000 28.707 28.738 -0.051 0.000 1.108 13 I N -0.412 120.147 120.570 -0.018 0.000 2.498 13 I HA 0.508 4.669 4.170 -0.015 0.000 0.301 13 I C 1.138 177.256 176.117 0.001 0.000 0.984 13 I CA -0.037 61.260 61.300 -0.004 0.000 1.204 13 I CB 1.809 39.812 38.000 0.004 0.000 1.362 13 I HN 0.237 nan 8.210 nan 0.000 0.471 14 S N 3.738 119.444 115.700 0.010 0.000 2.353 14 S HA -0.180 4.281 4.470 -0.015 0.000 0.222 14 S C 1.760 176.370 174.600 0.017 0.000 1.035 14 S CA 2.110 60.318 58.200 0.014 0.000 1.025 14 S CB -0.712 62.501 63.200 0.023 0.000 0.902 14 S HN 0.837 nan 8.310 nan 0.000 0.440 15 V N -0.143 119.789 119.914 0.030 0.000 3.026 15 V HA 0.121 4.232 4.120 -0.015 0.000 0.265 15 V C 2.079 178.189 176.094 0.026 0.000 1.121 15 V CA 1.491 63.812 62.300 0.036 0.000 1.142 15 V CB -1.136 30.715 31.823 0.048 0.000 0.730 15 V HN 0.416 nan 8.190 nan 0.000 0.503 16 R N 1.115 121.621 120.500 0.011 0.000 2.310 16 R HA 0.436 4.767 4.340 -0.015 0.000 0.202 16 R C 1.168 177.459 176.300 -0.014 0.000 0.933 16 R CA 0.566 56.666 56.100 -0.000 0.000 1.054 16 R CB 0.094 30.390 30.300 -0.007 0.000 0.985 16 R HN 0.763 nan 8.270 nan 0.000 0.489 17 G N 0.703 109.494 108.800 -0.016 0.000 2.685 17 G HA2 -0.209 3.741 3.960 -0.015 0.000 0.387 17 G HA3 -0.209 3.741 3.960 -0.015 0.000 0.387 17 G C -0.999 173.884 174.900 -0.028 0.000 1.324 17 G CA -1.070 44.012 45.100 -0.030 0.000 0.878 17 G HN -0.029 nan 8.290 nan 0.000 0.527 18 L N 0.506 121.709 121.223 -0.033 0.000 2.326 18 L HA 0.659 4.990 4.340 -0.015 0.000 0.278 18 L C 1.198 178.051 176.870 -0.029 0.000 1.092 18 L CA 0.354 55.177 54.840 -0.028 0.000 0.810 18 L CB 1.004 43.047 42.059 -0.026 0.000 1.153 18 L HN 1.501 nan 8.230 nan 0.000 0.439 19 A N 2.661 125.466 122.820 -0.024 0.000 3.173 19 A HA 0.573 4.883 4.320 -0.015 0.000 0.304 19 A C 0.664 178.240 177.584 -0.013 0.000 1.318 19 A CA -0.350 51.675 52.037 -0.020 0.000 1.069 19 A CB -0.333 18.654 19.000 -0.023 0.000 1.147 19 A HN 0.776 nan 8.150 nan 0.000 0.547 20 G N 0.240 109.033 108.800 -0.011 0.000 2.350 20 G HA2 0.411 4.362 3.960 -0.015 0.000 0.306 20 G HA3 0.411 4.362 3.960 -0.015 0.000 0.306 20 G C 0.988 175.889 174.900 0.001 0.000 1.094 20 G CA 0.023 45.119 45.100 -0.006 0.000 0.953 20 G HN 0.577 nan 8.290 nan 0.000 0.420 21 V N 2.591 122.507 119.914 0.004 0.000 2.358 21 V HA -0.427 3.683 4.120 -0.015 0.000 0.253 21 V C 2.621 178.723 176.094 0.014 0.000 1.105 21 V CA 2.841 65.147 62.300 0.009 0.000 1.105 21 V CB -0.876 30.952 31.823 0.008 0.000 0.846 21 V HN 0.821 nan 8.190 nan 0.000 0.464 22 E N -0.141 120.067 120.200 0.014 0.000 2.051 22 E HA -0.192 4.149 4.350 -0.015 0.000 0.192 22 E C 1.946 178.565 176.600 0.030 0.000 0.991 22 E CA 1.703 58.115 56.400 0.020 0.000 0.799 22 E CB -0.191 29.519 29.700 0.018 0.000 0.748 22 E HN 0.742 nan 8.360 nan 0.000 0.449 23 N N -0.839 117.877 118.700 0.026 0.000 2.142 23 N HA -0.120 4.611 4.740 -0.015 0.000 0.186 23 N C 1.611 177.146 175.510 0.041 0.000 1.023 23 N CA 1.169 54.240 53.050 0.034 0.000 0.852 23 N CB -0.016 38.475 38.487 0.007 0.000 0.998 23 N HN -0.007 nan 8.380 nan 0.000 0.424 24 V N 0.178 120.108 119.914 0.027 0.000 2.407 24 V HA -0.222 3.889 4.120 -0.015 0.000 0.248 24 V C 1.971 178.087 176.094 0.036 0.000 1.055 24 V CA 1.853 64.169 62.300 0.027 0.000 1.049 24 V CB -0.876 30.957 31.823 0.017 0.000 0.662 24 V HN 0.408 nan 8.190 nan 0.000 0.455 25 T N -0.707 113.868 114.554 0.036 0.000 2.812 25 T HA -0.178 4.163 4.350 -0.015 0.000 0.264 25 T C 1.921 176.654 174.700 0.055 0.000 1.042 25 T CA 1.589 63.711 62.100 0.037 0.000 1.140 25 T CB -0.156 68.730 68.868 0.029 0.000 0.870 25 T HN 0.456 nan 8.240 nan 0.000 0.445 26 E N 0.998 121.237 120.200 0.065 0.000 2.106 26 E HA -0.002 4.339 4.350 -0.015 0.000 0.192 26 E C 2.009 178.683 176.600 0.122 0.000 0.984 26 E CA 0.806 57.257 56.400 0.085 0.000 0.806 26 E CB -0.465 29.290 29.700 0.092 0.000 0.750 26 E HN 0.423 nan 8.360 nan 0.000 0.458 27 L N 0.054 121.359 121.223 0.137 0.000 2.046 27 L HA -0.169 4.162 4.340 -0.015 0.000 0.208 27 L C 2.400 179.378 176.870 0.179 0.000 1.077 27 L CA 1.372 56.321 54.840 0.181 0.000 0.747 27 L CB -0.288 41.858 42.059 0.146 0.000 0.896 27 L HN 0.068 nan 8.230 nan 0.000 0.432 28 K N 0.414 120.880 120.400 0.110 0.000 2.097 28 K HA -0.222 4.089 4.320 -0.015 0.000 0.206 28 K C 2.115 178.813 176.600 0.163 0.000 1.049 28 K CA 1.712 58.053 56.287 0.091 0.000 0.933 28 K CB -0.041 32.474 32.500 0.025 0.000 0.717 28 K HN 0.324 nan 8.250 nan 0.000 0.442 29 K N 0.173 120.651 120.400 0.130 0.000 2.167 29 K HA -0.016 4.295 4.320 -0.015 0.000 0.203 29 K C 1.519 178.198 176.600 0.131 0.000 1.052 29 K CA 1.223 57.579 56.287 0.116 0.000 0.956 29 K CB 0.037 32.580 32.500 0.072 0.000 0.735 29 K HN -0.020 nan 8.250 nan 0.000 0.451 30 N N 0.320 119.107 118.700 0.145 0.000 2.270 30 N HA -0.107 4.624 4.740 -0.015 0.000 0.181 30 N C 1.545 177.186 175.510 0.217 0.000 1.016 30 N CA 0.898 54.019 53.050 0.118 0.000 0.870 30 N CB -0.214 38.343 38.487 0.116 0.000 0.979 30 N HN 0.207 nan 8.380 nan 0.000 0.431 31 F N 2.677 122.716 119.950 0.150 0.000 2.095 31 F HA -0.142 4.375 4.527 -0.015 0.000 0.298 31 F C 2.000 177.900 175.800 0.166 0.000 1.104 31 F CA 1.374 59.482 58.000 0.180 0.000 1.232 31 F CB -0.132 38.951 39.000 0.138 0.000 0.987 31 F HN -0.038 nan 8.300 nan 0.000 0.475 32 N N 0.376 119.294 118.700 0.363 0.000 2.188 32 N HA -0.167 4.564 4.740 -0.015 0.000 0.184 32 N C 1.996 177.576 175.510 0.116 0.000 1.018 32 N CA 1.075 54.260 53.050 0.226 0.000 0.858 32 N CB -0.540 38.062 38.487 0.192 0.000 0.989 32 N HN 0.369 nan 8.380 nan 0.000 0.426 33 R N 0.197 120.764 120.500 0.111 0.000 2.073 33 R HA -0.098 4.233 4.340 -0.015 0.000 0.234 33 R C 1.777 178.145 176.300 0.113 0.000 1.134 33 R CA 1.507 57.695 56.100 0.146 0.000 0.952 33 R CB -0.209 30.118 30.300 0.046 0.000 0.850 33 R HN 0.395 nan 8.270 nan 0.000 0.433 34 H N -0.452 118.651 119.070 0.055 0.000 2.389 34 H HA -0.115 4.431 4.556 -0.015 0.000 0.299 34 H C 1.905 177.163 175.328 -0.117 0.000 1.081 34 H CA 1.348 57.364 56.048 -0.054 0.000 1.345 34 H CB 0.078 29.774 29.762 -0.110 0.000 1.393 34 H HN 0.120 nan 8.280 nan 0.000 0.520 35 L N 0.037 121.235 121.223 -0.042 0.000 2.042 35 L HA -0.220 4.111 4.340 -0.015 0.000 0.210 35 L C 2.230 179.069 176.870 -0.052 0.000 1.076 35 L CA 1.957 56.744 54.840 -0.088 0.000 0.749 35 L CB -0.427 41.590 42.059 -0.069 0.000 0.893 35 L HN 0.325 nan 8.230 nan 0.000 0.432 36 H N -2.076 116.903 119.070 -0.151 0.000 2.306 36 H HA -0.042 4.505 4.556 -0.015 0.000 0.307 36 H C 1.760 176.884 175.328 -0.340 0.000 1.061 36 H CA 2.073 57.938 56.048 -0.305 0.000 1.359 36 H CB -0.181 29.294 29.762 -0.477 0.000 1.407 36 H HN 0.286 nan 8.280 nan 0.000 0.517 37 F N -0.496 119.428 119.950 -0.044 0.000 2.335 37 F HA 0.036 4.553 4.527 -0.016 0.000 0.296 37 F C 2.497 178.218 175.800 -0.131 0.000 1.091 37 F CA 1.276 59.210 58.000 -0.110 0.000 1.399 37 F CB -0.256 38.720 39.000 -0.040 0.000 1.067 37 F HN 0.166 nan 8.300 nan 0.000 0.520 38 T N -0.129 114.457 114.554 0.053 0.000 2.939 38 T HA 0.097 4.438 4.350 -0.015 0.000 0.254 38 T C 1.972 176.578 174.700 -0.156 0.000 1.041 38 T CA 0.804 62.859 62.100 -0.075 0.000 1.142 38 T CB -0.179 68.608 68.868 -0.135 0.000 0.874 38 T HN 0.102 nan 8.240 nan 0.000 0.452 39 L N 1.057 122.192 121.223 -0.147 0.000 2.513 39 L HA 0.215 4.546 4.340 -0.015 0.000 0.222 39 L C 0.470 177.247 176.870 -0.156 0.000 1.096 39 L CA -0.032 54.710 54.840 -0.162 0.000 0.857 39 L CB -0.020 41.951 42.059 -0.146 0.000 1.026 39 L HN -0.011 nan 8.230 nan 0.000 0.469 40 V N 0.479 120.284 119.914 -0.182 0.000 5.961 40 V HA -0.271 3.839 4.120 -0.015 0.000 0.311 40 V C 0.068 176.055 176.094 -0.178 0.000 0.552 40 V CA 1.133 63.300 62.300 -0.223 0.000 0.641 40 V CB -2.237 29.480 31.823 -0.177 0.000 0.286 40 V HN 0.420 nan 8.190 nan 0.000 0.939 41 K N 0.901 121.206 120.400 -0.159 0.000 2.378 41 K HA 0.830 5.141 4.320 -0.015 0.000 0.244 41 K C -0.395 176.170 176.600 -0.058 0.000 1.039 41 K CA -0.326 55.896 56.287 -0.108 0.000 0.863 41 K CB 2.653 35.084 32.500 -0.115 0.000 1.326 41 K HN 0.506 nan 8.250 nan 0.000 0.460 42 D N -1.265 119.122 120.400 -0.023 0.000 2.592 42 D HA 0.295 4.926 4.640 -0.015 0.000 0.263 42 D C 0.576 176.908 176.300 0.052 0.000 1.132 42 D CA -0.657 53.364 54.000 0.035 0.000 0.996 42 D CB 0.766 41.592 40.800 0.044 0.000 1.442 42 D HN 0.107 nan 8.370 nan 0.000 0.486 43 R N -0.033 120.534 120.500 0.111 0.000 2.200 43 R HA -0.028 4.303 4.340 -0.015 0.000 0.234 43 R C 0.944 177.314 176.300 0.117 0.000 1.127 43 R CA 0.696 56.901 56.100 0.175 0.000 0.989 43 R CB -0.832 29.574 30.300 0.177 0.000 0.869 43 R HN 0.508 nan 8.270 nan 0.000 0.459 44 N N 0.367 119.105 118.700 0.064 0.000 2.331 44 N HA -0.094 4.637 4.740 -0.015 0.000 0.180 44 N C 1.743 177.269 175.510 0.026 0.000 1.019 44 N CA 1.445 54.521 53.050 0.043 0.000 0.881 44 N CB 0.147 38.651 38.487 0.027 0.000 0.972 44 N HN 0.287 nan 8.380 nan 0.000 0.435 45 V N -2.893 117.023 119.914 0.004 0.000 3.572 45 V HA 0.501 4.612 4.120 -0.015 0.000 0.260 45 V C 0.892 176.950 176.094 -0.059 0.000 1.324 45 V CA -0.264 62.024 62.300 -0.020 0.000 1.068 45 V CB -0.537 31.269 31.823 -0.028 0.000 0.837 45 V HN 0.058 nan 8.190 nan 0.000 0.450 46 A N 2.766 125.519 122.820 -0.111 0.000 2.567 46 A HA 0.450 4.761 4.320 -0.015 0.000 0.240 46 A C 0.799 178.212 177.584 -0.284 0.000 1.053 46 A CA 1.046 52.897 52.037 -0.309 0.000 0.755 46 A CB -0.558 18.077 19.000 -0.609 0.000 0.978 46 A HN 0.918 nan 8.150 nan 0.000 0.507 47 T N 0.734 115.135 114.554 -0.256 0.000 2.936 47 T HA 0.567 4.908 4.350 -0.015 0.000 0.282 47 T C -2.002 172.637 174.700 -0.102 0.000 1.003 47 T CA -1.728 60.308 62.100 -0.107 0.000 1.005 47 T CB 1.117 69.961 68.868 -0.040 0.000 1.097 47 T HN 0.267 nan 8.240 nan 0.000 0.532 48 P HA -0.152 nan 4.420 nan 0.000 0.217 48 P C 1.652 179.057 177.300 0.176 0.000 1.151 48 P CA 1.107 64.350 63.100 0.239 0.000 0.849 48 P CB 0.030 31.827 31.700 0.162 0.000 0.787 49 R N 0.103 120.649 120.500 0.077 0.000 2.083 49 R HA -0.169 4.162 4.340 -0.015 0.000 0.237 49 R C 1.743 178.185 176.300 0.237 0.000 1.137 49 R CA 2.095 58.262 56.100 0.111 0.000 0.951 49 R CB -0.825 29.473 30.300 -0.005 0.000 0.851 49 R HN 0.112 nan 8.270 nan 0.000 0.434 50 D N -0.430 120.016 120.400 0.076 0.000 2.123 50 D HA -0.204 4.427 4.640 -0.015 0.000 0.196 50 D C 1.794 178.103 176.300 0.014 0.000 0.992 50 D CA 1.384 55.384 54.000 0.000 0.000 0.833 50 D CB -0.342 40.320 40.800 -0.229 0.000 0.954 50 D HN 0.337 nan 8.370 nan 0.000 0.455 51 Y N 0.070 120.473 120.300 0.171 0.000 2.200 51 Y HA -0.191 4.350 4.550 -0.015 0.000 0.290 51 Y C 2.330 178.369 175.900 0.232 0.000 1.137 51 Y CA 0.243 58.492 58.100 0.249 0.000 1.163 51 Y CB -1.156 37.501 38.460 0.329 0.000 0.988 51 Y HN 0.061 nan 8.280 nan 0.000 0.518 52 Y N -0.316 120.116 120.300 0.220 0.000 2.081 52 Y HA -0.327 4.213 4.550 -0.016 0.000 0.280 52 Y C 2.028 177.899 175.900 -0.048 0.000 1.163 52 Y CA 1.458 59.583 58.100 0.041 0.000 1.135 52 Y CB -1.180 37.196 38.460 -0.140 0.000 0.970 52 Y HN 0.066 nan 8.280 nan 0.000 0.498 53 F N 0.070 119.804 119.950 -0.360 0.000 2.171 53 F HA -0.164 4.354 4.527 -0.015 0.000 0.300 53 F C 2.650 178.267 175.800 -0.305 0.000 1.090 53 F CA 1.265 58.982 58.000 -0.472 0.000 1.293 53 F CB -0.793 38.112 39.000 -0.158 0.000 1.013 53 F HN 0.209 nan 8.300 nan 0.000 0.486 54 A N -0.157 122.608 122.820 -0.092 0.000 1.902 54 A HA -0.185 4.126 4.320 -0.015 0.000 0.217 54 A C 2.047 179.513 177.584 -0.198 0.000 1.181 54 A CA 1.546 53.402 52.037 -0.301 0.000 0.623 54 A CB -1.014 17.459 19.000 -0.880 0.000 0.818 54 A HN 0.339 nan 8.150 nan 0.000 0.443 55 L N -0.159 121.068 121.223 0.007 0.000 1.994 55 L HA -0.062 4.269 4.340 -0.015 0.000 0.208 55 L C 2.727 179.591 176.870 -0.010 0.000 1.071 55 L CA 2.268 57.237 54.840 0.214 0.000 0.745 55 L CB -0.988 41.262 42.059 0.318 0.000 0.892 55 L HN 0.352 nan 8.230 nan 0.000 0.431 56 A N -1.370 121.259 122.820 -0.319 0.000 1.908 56 A HA -0.298 4.013 4.320 -0.015 0.000 0.218 56 A C 2.146 179.357 177.584 -0.622 0.000 1.181 56 A CA 2.112 53.823 52.037 -0.543 0.000 0.627 56 A CB -1.115 17.224 19.000 -1.101 0.000 0.818 56 A HN 0.703 nan 8.150 nan 0.000 0.445 57 H N -1.011 117.755 119.070 -0.506 0.000 2.389 57 H HA -0.053 4.494 4.556 -0.015 0.000 0.299 57 H C 2.367 177.456 175.328 -0.398 0.000 1.081 57 H CA 1.902 57.570 56.048 -0.633 0.000 1.345 57 H CB -0.112 28.992 29.762 -1.097 0.000 1.393 57 H HN 0.464 nan 8.280 nan 0.000 0.520 58 T N -0.192 114.359 114.554 -0.005 0.000 2.708 58 T HA -0.143 4.198 4.350 -0.015 0.000 0.266 58 T C 2.255 177.108 174.700 0.255 0.000 1.037 58 T CA 1.376 63.624 62.100 0.248 0.000 1.146 58 T CB -0.389 68.684 68.868 0.342 0.000 0.865 58 T HN 0.091 nan 8.240 nan 0.000 0.435 59 V N 1.732 121.790 119.914 0.241 0.000 2.358 59 V HA -0.139 3.972 4.120 -0.015 0.000 0.246 59 V C 2.641 178.923 176.094 0.315 0.000 1.047 59 V CA 1.634 64.136 62.300 0.338 0.000 1.035 59 V CB -0.661 31.351 31.823 0.316 0.000 0.658 59 V HN 0.389 nan 8.190 nan 0.000 0.452 60 R N 0.287 120.906 120.500 0.200 0.000 2.105 60 R HA -0.231 4.100 4.340 -0.015 0.000 0.239 60 R C 1.936 178.329 176.300 0.154 0.000 1.135 60 R CA 2.166 58.377 56.100 0.185 0.000 0.967 60 R CB -0.520 29.734 30.300 -0.078 0.000 0.861 60 R HN 0.474 nan 8.270 nan 0.000 0.442 61 D N 0.056 120.519 120.400 0.106 0.000 2.158 61 D HA -0.184 4.447 4.640 -0.015 0.000 0.197 61 D C 1.798 178.091 176.300 -0.011 0.000 0.995 61 D CA 1.208 55.236 54.000 0.047 0.000 0.846 61 D CB -0.459 40.345 40.800 0.008 0.000 0.941 61 D HN 0.469 nan 8.370 nan 0.000 0.456 62 H N -0.234 118.906 119.070 0.118 0.000 2.491 62 H HA 0.015 4.562 4.556 -0.015 0.000 0.290 62 H C 2.316 177.692 175.328 0.081 0.000 1.050 62 H CA 0.436 56.536 56.048 0.088 0.000 1.309 62 H CB 0.116 29.921 29.762 0.071 0.000 1.392 62 H HN 0.216 nan 8.280 nan 0.000 0.554 63 L N 0.529 121.869 121.223 0.195 0.000 2.072 63 L HA -0.123 4.208 4.340 -0.015 0.000 0.205 63 L C 2.836 179.828 176.870 0.203 0.000 1.079 63 L CA 0.738 55.662 54.840 0.141 0.000 0.752 63 L CB -0.327 41.779 42.059 0.080 0.000 0.906 63 L HN 0.127 nan 8.230 nan 0.000 0.436 64 V N -2.145 117.910 119.914 0.235 0.000 2.332 64 V HA -0.140 3.971 4.120 -0.015 0.000 0.248 64 V C 2.312 178.531 176.094 0.208 0.000 1.055 64 V CA 1.991 64.471 62.300 0.300 0.000 1.038 64 V CB -1.749 30.211 31.823 0.228 0.000 0.651 64 V HN 0.383 nan 8.190 nan 0.000 0.450 65 G N 0.372 109.251 108.800 0.131 0.000 2.459 65 G HA2 -0.253 3.698 3.960 -0.015 0.000 0.217 65 G HA3 -0.253 3.698 3.960 -0.015 0.000 0.217 65 G C 1.735 176.689 174.900 0.089 0.000 1.183 65 G CA 1.051 46.201 45.100 0.084 0.000 0.776 65 G HN 0.539 nan 8.290 nan 0.000 0.552 66 R N -1.371 119.192 120.500 0.104 0.000 2.081 66 R HA -0.092 4.239 4.340 -0.015 0.000 0.235 66 R C 2.262 178.649 176.300 0.146 0.000 1.131 66 R CA 1.302 57.451 56.100 0.082 0.000 0.960 66 R CB -0.436 29.897 30.300 0.055 0.000 0.856 66 R HN 0.482 nan 8.270 nan 0.000 0.436 67 W N 1.494 122.782 121.300 -0.020 0.000 2.335 67 W HA -0.123 4.528 4.660 -0.015 0.000 0.311 67 W C 1.753 178.254 176.519 -0.030 0.000 1.213 67 W CA 1.075 58.407 57.345 -0.022 0.000 1.274 67 W CB -0.655 28.810 29.460 0.008 0.000 1.148 67 W HN -0.006 nan 8.180 nan 0.000 0.498 68 I N 0.817 121.445 120.570 0.097 0.000 2.226 68 I HA -0.334 3.827 4.170 -0.015 0.000 0.245 68 I C 2.705 178.807 176.117 -0.025 0.000 1.100 68 I CA 2.063 63.336 61.300 -0.045 0.000 1.374 68 I CB -0.574 37.401 38.000 -0.041 0.000 1.057 68 I HN -0.005 nan 8.210 nan 0.000 0.413 69 R N 0.099 120.600 120.500 0.002 0.000 2.153 69 R HA -0.032 4.299 4.340 -0.015 0.000 0.218 69 R C 1.922 178.188 176.300 -0.058 0.000 1.072 69 R CA 1.412 57.502 56.100 -0.018 0.000 0.990 69 R CB -1.082 29.208 30.300 -0.016 0.000 0.889 69 R HN 0.136 nan 8.270 nan 0.000 0.452 70 T N 1.673 116.175 114.554 -0.086 0.000 2.652 70 T HA -0.126 4.215 4.350 -0.015 0.000 0.267 70 T C 1.777 176.239 174.700 -0.396 0.000 1.039 70 T CA 1.484 63.428 62.100 -0.261 0.000 1.153 70 T CB -0.169 68.594 68.868 -0.176 0.000 0.863 70 T HN 0.247 nan 8.240 nan 0.000 0.428 71 Q N 0.800 120.515 119.800 -0.142 0.000 2.170 71 Q HA -0.105 4.226 4.340 -0.015 0.000 0.203 71 Q C 2.313 178.334 176.000 0.035 0.000 0.976 71 Q CA 1.316 57.111 55.803 -0.013 0.000 0.858 71 Q CB -0.528 28.211 28.738 0.002 0.000 0.907 71 Q HN 0.554 nan 8.270 nan 0.000 0.433 72 Q N 0.107 119.910 119.800 0.004 0.000 2.050 72 Q HA -0.206 4.125 4.340 -0.015 0.000 0.202 72 Q C 1.979 178.056 176.000 0.129 0.000 0.980 72 Q CA 1.965 57.808 55.803 0.066 0.000 0.840 72 Q CB -0.384 28.376 28.738 0.036 0.000 0.898 72 Q HN 0.534 nan 8.270 nan 0.000 0.424 73 H N -0.979 118.054 119.070 -0.062 0.000 2.319 73 H HA -0.194 4.353 4.556 -0.015 0.000 0.297 73 H C 1.286 176.656 175.328 0.071 0.000 1.097 73 H CA 2.355 58.371 56.048 -0.054 0.000 1.285 73 H CB -0.382 29.272 29.762 -0.180 0.000 1.368 73 H HN 0.402 nan 8.280 nan 0.000 0.495 74 Y N -1.257 119.077 120.300 0.056 0.000 2.333 74 Y HA -0.169 4.371 4.550 -0.016 0.000 0.290 74 Y C 2.376 178.308 175.900 0.052 0.000 1.144 74 Y CA 0.973 59.077 58.100 0.007 0.000 1.228 74 Y CB -1.211 37.306 38.460 0.095 0.000 0.985 74 Y HN 0.352 nan 8.280 nan 0.000 0.542 75 Y N 1.153 121.531 120.300 0.130 0.000 2.220 75 Y HA -0.148 4.393 4.550 -0.016 0.000 0.291 75 Y C 2.094 178.011 175.900 0.028 0.000 1.129 75 Y CA 1.536 59.680 58.100 0.073 0.000 1.161 75 Y CB 0.036 38.529 38.460 0.054 0.000 0.997 75 Y HN 0.003 nan 8.280 nan 0.000 0.522 76 E N 0.391 120.617 120.200 0.043 0.000 2.028 76 E HA -0.150 4.191 4.350 -0.015 0.000 0.190 76 E C 2.049 178.587 176.600 -0.103 0.000 0.984 76 E CA 1.219 57.590 56.400 -0.047 0.000 0.800 76 E CB -0.341 29.373 29.700 0.024 0.000 0.758 76 E HN 0.453 nan 8.360 nan 0.000 0.448 77 K N 0.609 120.925 120.400 -0.141 0.000 2.217 77 K HA -0.102 4.209 4.320 -0.015 0.000 0.202 77 K C -0.004 176.546 176.600 -0.082 0.000 1.051 77 K CA 0.641 56.844 56.287 -0.140 0.000 0.952 77 K CB -0.070 32.270 32.500 -0.266 0.000 0.736 77 K HN 0.016 nan 8.250 nan 0.000 0.453 78 D N 0.745 121.104 120.400 -0.068 0.000 2.735 78 D HA -0.099 4.531 4.640 -0.015 0.000 0.235 78 D C -2.451 173.817 176.300 -0.054 0.000 1.175 78 D CA 0.068 54.035 54.000 -0.054 0.000 0.683 78 D CB -0.099 40.660 40.800 -0.068 0.000 1.008 78 D HN 0.163 nan 8.370 nan 0.000 0.416 79 P HA 0.113 nan 4.420 nan 0.000 0.276 79 P C -0.146 177.087 177.300 -0.111 0.000 1.261 79 P CA -0.602 62.452 63.100 -0.078 0.000 0.800 79 P CB 0.603 32.256 31.700 -0.079 0.000 1.066 80 K N 1.106 121.439 120.400 -0.112 0.000 2.484 80 K HA 0.011 4.321 4.320 -0.015 0.000 0.280 80 K C -0.080 176.409 176.600 -0.186 0.000 1.013 80 K CA 0.139 56.345 56.287 -0.135 0.000 1.029 80 K CB 0.152 32.592 32.500 -0.100 0.000 0.902 80 K HN 0.242 nan 8.250 nan 0.000 0.481 81 R N 3.988 124.355 120.500 -0.222 0.000 2.312 81 R HA 0.324 4.655 4.340 -0.015 0.000 0.311 81 R C -0.571 175.414 176.300 -0.526 0.000 1.004 81 R CA -0.497 55.387 56.100 -0.359 0.000 0.902 81 R CB 0.806 30.894 30.300 -0.354 0.000 1.073 81 R HN 0.505 nan 8.270 nan 0.000 0.457 82 I N 4.493 124.717 120.570 -0.576 0.000 2.331 82 I HA 0.207 4.368 4.170 -0.015 0.000 0.292 82 I C -0.565 175.218 176.117 -0.556 0.000 0.998 82 I CA -0.727 60.192 61.300 -0.635 0.000 1.267 82 I CB 0.743 38.265 38.000 -0.796 0.000 1.386 82 I HN 0.534 nan 8.210 nan 0.000 0.476 83 Y N 5.856 126.107 120.300 -0.082 0.000 2.388 83 Y HA 0.288 4.829 4.550 -0.015 0.000 0.328 83 Y C -0.307 175.691 175.900 0.163 0.000 0.963 83 Y CA -0.782 57.389 58.100 0.118 0.000 1.240 83 Y CB 1.054 39.528 38.460 0.024 0.000 1.118 83 Y HN 0.405 nan 8.280 nan 0.000 0.484 84 Y N 4.503 124.982 120.300 0.300 0.000 2.454 84 Y HA 0.484 5.025 4.550 -0.015 0.000 0.345 84 Y C -1.206 174.965 175.900 0.451 0.000 0.970 84 Y CA -0.899 57.390 58.100 0.315 0.000 1.204 84 Y CB 0.288 38.935 38.460 0.311 0.000 1.122 84 Y HN 0.509 nan 8.280 nan 0.000 0.514 85 L N 5.150 126.423 121.223 0.084 0.000 2.264 85 L HA 0.486 4.816 4.340 -0.015 0.000 0.289 85 L C -0.234 176.630 176.870 -0.010 0.000 1.044 85 L CA 0.127 55.065 54.840 0.164 0.000 0.807 85 L CB 1.339 43.468 42.059 0.116 0.000 1.192 85 L HN 0.573 nan 8.230 nan 0.000 0.425 86 S N 2.476 118.252 115.700 0.127 0.000 2.536 86 S HA 0.496 4.957 4.470 -0.015 0.000 0.271 86 S C 0.258 174.936 174.600 0.130 0.000 1.134 86 S CA -0.523 57.653 58.200 -0.039 0.000 0.897 86 S CB 1.041 63.994 63.200 -0.413 0.000 1.094 86 S HN 0.479 nan 8.310 nan 0.000 0.473 87 L N 2.755 124.098 121.223 0.200 0.000 2.599 87 L HA 0.424 4.755 4.340 -0.015 0.000 0.230 87 L C 0.322 177.388 176.870 0.326 0.000 1.141 87 L CA 0.988 56.015 54.840 0.313 0.000 0.877 87 L CB -0.053 42.208 42.059 0.336 0.000 1.009 87 L HN 0.645 nan 8.230 nan 0.000 0.447 88 E N -1.183 119.078 120.200 0.101 0.000 2.275 88 E HA 0.382 4.723 4.350 -0.015 0.000 0.270 88 E C -1.383 175.105 176.600 -0.188 0.000 0.882 88 E CA -0.407 56.037 56.400 0.073 0.000 0.758 88 E CB 1.711 31.428 29.700 0.029 0.000 1.195 88 E HN -0.154 nan 8.360 nan 0.000 0.419 89 F N 2.298 122.360 119.950 0.187 0.000 2.646 89 F HA 0.182 4.700 4.527 -0.016 0.000 0.364 89 F C -0.730 175.161 175.800 0.151 0.000 1.137 89 F CA -0.779 57.319 58.000 0.164 0.000 1.085 89 F CB 0.898 39.986 39.000 0.147 0.000 1.331 89 F HN 0.496 nan 8.300 nan 0.000 0.472 90 Y N 5.203 125.577 120.300 0.123 0.000 2.636 90 Y HA 0.212 4.753 4.550 -0.015 0.000 0.334 90 Y C 0.980 176.895 175.900 0.024 0.000 1.286 90 Y CA -0.998 57.122 58.100 0.034 0.000 1.688 90 Y CB 0.273 38.737 38.460 0.006 0.000 1.662 90 Y HN 0.554 nan 8.280 nan 0.000 0.465 91 M N 1.218 120.934 119.600 0.193 0.000 2.288 91 M HA 0.100 4.571 4.480 -0.015 0.000 0.266 91 M C 1.605 177.867 176.300 -0.063 0.000 1.072 91 M CA 1.136 56.462 55.300 0.043 0.000 1.132 91 M CB -1.170 31.437 32.600 0.012 0.000 1.386 91 M HN 0.680 nan 8.290 nan 0.000 0.432 92 G N 1.114 109.883 108.800 -0.052 0.000 2.539 92 G HA2 -0.274 3.677 3.960 -0.015 0.000 0.256 92 G HA3 -0.274 3.677 3.960 -0.015 0.000 0.256 92 G C -0.242 174.600 174.900 -0.095 0.000 1.233 92 G CA -0.279 44.754 45.100 -0.111 0.000 0.936 92 G HN 0.432 nan 8.290 nan 0.000 0.571 93 R N -0.469 119.954 120.500 -0.127 0.000 2.490 93 R HA 0.566 4.897 4.340 -0.015 0.000 0.278 93 R C 1.081 177.260 176.300 -0.203 0.000 1.069 93 R CA 0.363 56.398 56.100 -0.109 0.000 1.080 93 R CB 0.783 31.023 30.300 -0.099 0.000 1.030 93 R HN 0.523 nan 8.270 nan 0.000 0.491 94 T N 1.487 115.875 114.554 -0.276 0.000 2.990 94 T HA -0.011 4.330 4.350 -0.015 0.000 0.249 94 T C 1.415 175.753 174.700 -0.603 0.000 1.039 94 T CA -0.135 61.603 62.100 -0.604 0.000 1.036 94 T CB 0.141 68.283 68.868 -1.211 0.000 0.994 94 T HN 0.315 nan 8.240 nan 0.000 0.489 95 L N 1.919 123.014 121.223 -0.215 0.000 1.961 95 L HA -0.017 4.313 4.340 -0.015 0.000 0.210 95 L C 2.485 179.333 176.870 -0.037 0.000 1.072 95 L CA 2.005 56.872 54.840 0.045 0.000 0.749 95 L CB -0.725 41.557 42.059 0.373 0.000 0.889 95 L HN 0.163 nan 8.230 nan 0.000 0.432 96 Q N -0.733 119.040 119.800 -0.045 0.000 2.084 96 Q HA -0.258 4.073 4.340 -0.015 0.000 0.202 96 Q C 2.233 178.167 176.000 -0.109 0.000 0.978 96 Q CA 1.889 57.656 55.803 -0.060 0.000 0.844 96 Q CB -0.322 28.375 28.738 -0.069 0.000 0.898 96 Q HN 0.693 nan 8.270 nan 0.000 0.426 97 N N -0.996 117.600 118.700 -0.175 0.000 2.149 97 N HA -0.147 4.584 4.740 -0.015 0.000 0.188 97 N C 1.349 176.756 175.510 -0.172 0.000 1.019 97 N CA 1.810 54.746 53.050 -0.191 0.000 0.857 97 N CB 0.063 38.401 38.487 -0.248 0.000 0.997 97 N HN 0.236 nan 8.380 nan 0.000 0.426 98 T N 1.277 115.697 114.554 -0.223 0.000 2.777 98 T HA -0.049 4.291 4.350 -0.015 0.000 0.266 98 T C 2.092 176.739 174.700 -0.088 0.000 1.040 98 T CA 1.018 63.007 62.100 -0.185 0.000 1.141 98 T CB -0.056 68.659 68.868 -0.256 0.000 0.868 98 T HN 0.252 nan 8.240 nan 0.000 0.444 99 M N 0.649 120.215 119.600 -0.056 0.000 2.067 99 M HA -0.107 4.364 4.480 -0.015 0.000 0.260 99 M C 2.514 178.786 176.300 -0.046 0.000 1.069 99 M CA 1.368 56.648 55.300 -0.034 0.000 1.117 99 M CB -0.802 31.794 32.600 -0.006 0.000 1.334 99 M HN 0.085 nan 8.290 nan 0.000 0.407 100 V N 1.155 121.048 119.914 -0.036 0.000 2.252 100 V HA -0.316 3.795 4.120 -0.015 0.000 0.249 100 V C 1.827 177.933 176.094 0.019 0.000 1.056 100 V CA 2.212 64.515 62.300 0.005 0.000 1.022 100 V CB -0.983 30.845 31.823 0.009 0.000 0.641 100 V HN 0.487 nan 8.190 nan 0.000 0.445 101 N N -0.537 118.164 118.700 0.002 0.000 2.453 101 N HA -0.055 4.676 4.740 -0.015 0.000 0.183 101 N C 1.112 176.530 175.510 -0.154 0.000 1.041 101 N CA 0.705 53.740 53.050 -0.025 0.000 0.900 101 N CB -0.127 38.355 38.487 -0.010 0.000 0.961 101 N HN 0.296 nan 8.380 nan 0.000 0.443 102 L N -0.459 120.690 121.223 -0.123 0.000 2.616 102 L HA 0.392 4.723 4.340 -0.015 0.000 0.229 102 L C 0.658 177.440 176.870 -0.147 0.000 1.110 102 L CA -0.065 54.698 54.840 -0.129 0.000 0.884 102 L CB -0.607 41.397 42.059 -0.091 0.000 1.115 102 L HN 0.116 nan 8.230 nan 0.000 0.481 103 A N -0.722 122.012 122.820 -0.143 0.000 2.925 103 A HA -0.204 4.107 4.320 -0.015 0.000 0.265 103 A C 1.025 178.550 177.584 -0.099 0.000 1.419 103 A CA 0.895 52.859 52.037 -0.122 0.000 0.807 103 A CB -2.013 16.901 19.000 -0.144 0.000 1.043 103 A HN 0.193 nan 8.150 nan 0.000 0.600 104 L N -0.599 120.568 121.223 -0.093 0.000 2.693 104 L HA 0.252 4.583 4.340 -0.015 0.000 0.235 104 L C 1.844 178.683 176.870 -0.051 0.000 1.127 104 L CA 1.616 56.398 54.840 -0.095 0.000 0.914 104 L CB -0.360 41.620 42.059 -0.132 0.000 1.193 104 L HN 0.645 nan 8.230 nan 0.000 0.502 105 E N -0.226 119.952 120.200 -0.037 0.000 2.077 105 E HA -0.222 4.119 4.350 -0.015 0.000 0.193 105 E C 1.593 178.184 176.600 -0.015 0.000 0.989 105 E CA 1.311 57.700 56.400 -0.018 0.000 0.800 105 E CB 0.310 30.002 29.700 -0.015 0.000 0.746 105 E HN 0.399 nan 8.360 nan 0.000 0.452 106 N N 0.120 118.806 118.700 -0.023 0.000 2.171 106 N HA -0.092 4.639 4.740 -0.015 0.000 0.184 106 N C 1.626 177.123 175.510 -0.022 0.000 1.021 106 N CA 1.195 54.230 53.050 -0.025 0.000 0.854 106 N CB -0.430 38.040 38.487 -0.028 0.000 0.994 106 N HN 0.218 nan 8.380 nan 0.000 0.426 107 A N 0.741 123.546 122.820 -0.025 0.000 1.873 107 A HA -0.194 4.117 4.320 -0.015 0.000 0.218 107 A C 2.683 180.265 177.584 -0.004 0.000 1.193 107 A CA 1.640 53.666 52.037 -0.019 0.000 0.629 107 A CB -1.144 17.836 19.000 -0.033 0.000 0.826 107 A HN 0.453 nan 8.150 nan 0.000 0.447 108 C N -0.946 118.354 119.300 0.000 0.000 2.440 108 C HA -0.074 4.376 4.460 -0.015 0.000 0.278 108 C C 2.487 177.486 174.990 0.014 0.000 1.295 108 C CA 1.044 60.075 59.018 0.021 0.000 1.738 108 C CB -1.193 26.574 27.740 0.044 0.000 1.987 108 C HN 0.672 nan 8.230 nan 0.000 0.492 109 D N 0.612 121.018 120.400 0.010 0.000 2.123 109 D HA -0.143 4.488 4.640 -0.015 0.000 0.196 109 D C 2.131 178.448 176.300 0.028 0.000 0.992 109 D CA 1.505 55.513 54.000 0.014 0.000 0.833 109 D CB -0.251 40.545 40.800 -0.007 0.000 0.954 109 D HN 0.463 nan 8.370 nan 0.000 0.455 110 E N 0.403 120.610 120.200 0.011 0.000 2.031 110 E HA -0.063 4.278 4.350 -0.015 0.000 0.193 110 E C 1.915 178.550 176.600 0.057 0.000 0.994 110 E CA 1.694 58.113 56.400 0.032 0.000 0.800 110 E CB -0.625 29.076 29.700 0.003 0.000 0.752 110 E HN 0.191 nan 8.360 nan 0.000 0.447 111 A N -0.161 122.665 122.820 0.010 0.000 1.908 111 A HA -0.223 4.088 4.320 -0.015 0.000 0.218 111 A C 2.481 179.997 177.584 -0.112 0.000 1.181 111 A CA 2.941 54.959 52.037 -0.031 0.000 0.627 111 A CB -1.423 17.565 19.000 -0.020 0.000 0.818 111 A HN 0.528 nan 8.150 nan 0.000 0.445 112 T N -4.064 110.423 114.554 -0.113 0.000 2.857 112 T HA -0.172 4.168 4.350 -0.015 0.000 0.266 112 T C 1.839 176.462 174.700 -0.128 0.000 1.048 112 T CA 1.403 63.379 62.100 -0.207 0.000 1.139 112 T CB -0.576 68.207 68.868 -0.142 0.000 0.874 112 T HN 0.437 nan 8.240 nan 0.000 0.455 113 Y N 2.229 122.453 120.300 -0.127 0.000 2.128 113 Y HA -0.152 4.389 4.550 -0.015 0.000 0.284 113 Y C 2.689 178.527 175.900 -0.103 0.000 1.154 113 Y CA 1.820 59.862 58.100 -0.097 0.000 1.149 113 Y CB -0.517 37.905 38.460 -0.063 0.000 0.976 113 Y HN 0.246 nan 8.280 nan 0.000 0.505 114 Q N -0.976 118.798 119.800 -0.045 0.000 2.291 114 Q HA -0.130 4.200 4.340 -0.015 0.000 0.205 114 Q C 1.405 177.296 176.000 -0.182 0.000 0.970 114 Q CA 0.805 56.543 55.803 -0.110 0.000 0.876 114 Q CB -0.061 28.670 28.738 -0.011 0.000 0.935 114 Q HN 0.352 nan 8.270 nan 0.000 0.455 115 L N -0.934 120.153 121.223 -0.227 0.000 2.591 115 L HA 0.159 4.490 4.340 -0.015 0.000 0.228 115 L C 1.086 177.788 176.870 -0.281 0.000 1.133 115 L CA 1.088 55.772 54.840 -0.260 0.000 0.880 115 L CB -0.328 41.495 42.059 -0.393 0.000 1.033 115 L HN 0.292 nan 8.230 nan 0.000 0.450 116 G N -0.022 108.591 108.800 -0.311 0.000 2.160 116 G HA2 -0.249 3.701 3.960 -0.015 0.000 0.244 116 G HA3 -0.249 3.701 3.960 -0.015 0.000 0.244 116 G C 0.037 174.779 174.900 -0.263 0.000 1.022 116 G CA 0.258 45.177 45.100 -0.302 0.000 0.741 116 G HN 0.288 nan 8.290 nan 0.000 0.508 117 L N -0.315 120.751 121.223 -0.262 0.000 2.354 117 L HA 0.607 4.938 4.340 -0.015 0.000 0.269 117 L C -0.501 176.320 176.870 -0.083 0.000 1.005 117 L CA -1.178 53.541 54.840 -0.203 0.000 0.819 117 L CB 1.949 43.828 42.059 -0.301 0.000 1.311 117 L HN 0.097 nan 8.230 nan 0.000 0.423 118 D N 1.967 122.352 120.400 -0.024 0.000 2.359 118 D HA 0.195 4.825 4.640 -0.015 0.000 0.230 118 D C 0.717 177.042 176.300 0.043 0.000 1.118 118 D CA -0.186 53.834 54.000 0.032 0.000 0.844 118 D CB 1.406 42.232 40.800 0.043 0.000 1.059 118 D HN 0.492 nan 8.370 nan 0.000 0.493 119 M N 2.907 122.536 119.600 0.049 0.000 2.149 119 M HA -0.154 4.317 4.480 -0.015 0.000 0.261 119 M C 1.384 177.724 176.300 0.068 0.000 1.064 119 M CA 1.536 56.874 55.300 0.063 0.000 1.102 119 M CB 0.174 32.807 32.600 0.055 0.000 1.369 119 M HN 0.472 nan 8.290 nan 0.000 0.408 120 E N -0.263 119.968 120.200 0.052 0.000 2.110 120 E HA -0.259 4.082 4.350 -0.015 0.000 0.193 120 E C 1.844 178.471 176.600 0.046 0.000 0.988 120 E CA 1.371 57.797 56.400 0.043 0.000 0.804 120 E CB -0.171 29.551 29.700 0.038 0.000 0.745 120 E HN 0.635 nan 8.360 nan 0.000 0.458 121 E N 0.385 120.617 120.200 0.053 0.000 2.106 121 E HA -0.193 4.148 4.350 -0.015 0.000 0.192 121 E C 1.954 178.590 176.600 0.061 0.000 0.984 121 E CA 0.559 56.992 56.400 0.054 0.000 0.806 121 E CB 0.191 29.925 29.700 0.057 0.000 0.750 121 E HN 0.071 nan 8.360 nan 0.000 0.458 122 L N 1.333 122.612 121.223 0.093 0.000 2.056 122 L HA -0.123 4.207 4.340 -0.015 0.000 0.207 122 L C 2.081 179.001 176.870 0.084 0.000 1.078 122 L CA 1.630 56.556 54.840 0.143 0.000 0.749 122 L CB -0.782 41.412 42.059 0.226 0.000 0.901 122 L HN 0.122 nan 8.230 nan 0.000 0.433 123 E N -0.627 119.614 120.200 0.068 0.000 2.118 123 E HA -0.212 4.129 4.350 -0.015 0.000 0.195 123 E C 1.855 178.406 176.600 -0.083 0.000 0.992 123 E CA 0.931 57.338 56.400 0.011 0.000 0.804 123 E CB 0.008 29.722 29.700 0.023 0.000 0.741 123 E HN 0.375 nan 8.360 nan 0.000 0.458 124 E N 0.105 120.275 120.200 -0.050 0.000 2.409 124 E HA -0.133 4.208 4.350 -0.015 0.000 0.198 124 E C 1.784 178.317 176.600 -0.112 0.000 1.024 124 E CA 0.628 56.998 56.400 -0.050 0.000 0.861 124 E CB 0.032 29.738 29.700 0.009 0.000 0.788 124 E HN 0.407 nan 8.360 nan 0.000 0.521 125 I N 0.645 121.086 120.570 -0.215 0.000 2.716 125 I HA -0.085 4.076 4.170 -0.015 0.000 0.259 125 I C 1.309 177.127 176.117 -0.497 0.000 1.172 125 I CA 0.159 61.271 61.300 -0.312 0.000 1.478 125 I CB 0.167 37.986 38.000 -0.301 0.000 1.104 125 I HN -0.053 nan 8.210 nan 0.000 0.439 126 E N 2.837 122.614 120.200 -0.705 0.000 2.417 126 E HA -0.056 4.285 4.350 -0.015 0.000 0.261 126 E C -0.225 176.273 176.600 -0.170 0.000 1.000 126 E CA -0.229 55.811 56.400 -0.600 0.000 0.919 126 E CB 0.558 30.000 29.700 -0.431 0.000 0.955 126 E HN 0.083 nan 8.360 nan 0.000 0.455 127 E N 3.545 123.738 120.200 -0.010 0.000 2.392 127 E HA 0.011 4.352 4.350 -0.015 0.000 0.264 127 E C -0.764 175.923 176.600 0.146 0.000 1.024 127 E CA -0.004 56.477 56.400 0.136 0.000 0.903 127 E CB 0.537 30.417 29.700 0.300 0.000 0.963 127 E HN 0.487 nan 8.360 nan 0.000 0.432 128 D N 0.924 121.383 120.400 0.098 0.000 2.493 128 D HA 0.099 4.730 4.640 -0.015 0.000 0.240 128 D C -0.275 176.044 176.300 0.031 0.000 1.142 128 D CA 0.285 54.315 54.000 0.050 0.000 0.872 128 D CB 0.496 41.312 40.800 0.027 0.000 1.173 128 D HN 0.376 nan 8.370 nan 0.000 0.467 129 A N 3.011 125.805 122.820 -0.044 0.000 2.797 129 A HA 0.427 4.738 4.320 -0.015 0.000 0.296 129 A C 1.116 178.533 177.584 -0.277 0.000 1.580 129 A CA -0.303 51.504 52.037 -0.383 0.000 1.277 129 A CB -0.329 18.524 19.000 -0.245 0.000 1.101 129 A HN 0.543 nan 8.150 nan 0.000 0.562 130 G N 1.942 110.539 108.800 -0.339 0.000 3.741 130 G HA2 0.412 4.363 3.960 -0.015 0.000 0.263 130 G HA3 0.412 4.363 3.960 -0.015 0.000 0.263 130 G C 0.311 174.997 174.900 -0.356 0.000 1.175 130 G CA -0.327 44.676 45.100 -0.160 0.000 1.642 130 G HN 0.690 nan 8.290 nan 0.000 0.644 131 L N 1.306 122.367 121.223 -0.270 0.000 2.939 131 L HA 0.396 4.727 4.340 -0.015 0.000 0.239 131 L C 1.058 177.858 176.870 -0.118 0.000 1.325 131 L CA -0.239 54.534 54.840 -0.111 0.000 1.170 131 L CB -0.307 41.809 42.059 0.096 0.000 1.538 131 L HN 0.318 nan 8.230 nan 0.000 0.452 132 G N -1.303 107.195 108.800 -0.504 0.000 2.660 132 G HA2 0.197 4.148 3.960 -0.015 0.000 0.290 132 G HA3 0.197 4.148 3.960 -0.015 0.000 0.290 132 G C -0.160 174.237 174.900 -0.839 0.000 1.432 132 G CA -0.457 44.313 45.100 -0.550 0.000 0.807 132 G HN -0.078 nan 8.290 nan 0.000 0.485 133 N N -0.811 117.642 118.700 -0.412 0.000 2.439 133 N HA 0.220 4.950 4.740 -0.015 0.000 0.176 133 N C 1.141 176.627 175.510 -0.040 0.000 1.029 133 N CA 1.307 54.218 53.050 -0.232 0.000 0.886 133 N CB 1.264 39.728 38.487 -0.038 0.000 1.057 133 N HN 0.867 nan 8.380 nan 0.000 0.437 134 G N -0.612 108.262 108.800 0.124 0.000 2.649 134 G HA2 0.135 4.086 3.960 -0.015 0.000 0.078 134 G HA3 0.135 4.086 3.960 -0.015 0.000 0.078 134 G C 0.705 175.733 174.900 0.212 0.000 1.110 134 G CA 0.183 45.449 45.100 0.277 0.000 1.269 134 G HN 0.158 nan 8.290 nan 0.000 0.581 135 G N 0.432 109.298 108.800 0.110 0.000 2.459 135 G HA2 -0.067 3.883 3.960 -0.015 0.000 0.217 135 G HA3 -0.067 3.883 3.960 -0.015 0.000 0.217 135 G C 1.908 176.802 174.900 -0.010 0.000 1.183 135 G CA 1.584 46.712 45.100 0.046 0.000 0.776 135 G HN 0.911 nan 8.290 nan 0.000 0.552 136 L N 0.606 121.784 121.223 -0.076 0.000 2.046 136 L HA 0.067 4.398 4.340 -0.015 0.000 0.208 136 L C 2.814 179.608 176.870 -0.127 0.000 1.077 136 L CA 2.023 56.713 54.840 -0.250 0.000 0.747 136 L CB -0.586 41.264 42.059 -0.348 0.000 0.896 136 L HN 0.251 nan 8.230 nan 0.000 0.432 137 G N -0.613 108.179 108.800 -0.013 0.000 2.408 137 G HA2 -0.298 3.652 3.960 -0.015 0.000 0.217 137 G HA3 -0.298 3.652 3.960 -0.015 0.000 0.217 137 G C 1.638 176.619 174.900 0.135 0.000 1.150 137 G CA 0.689 45.815 45.100 0.044 0.000 0.776 137 G HN 0.306 nan 8.290 nan 0.000 0.542 138 R N -0.056 120.549 120.500 0.176 0.000 2.115 138 R HA 0.165 4.496 4.340 -0.015 0.000 0.226 138 R C 2.279 178.592 176.300 0.022 0.000 1.100 138 R CA 0.674 56.845 56.100 0.119 0.000 0.980 138 R CB -0.802 29.529 30.300 0.051 0.000 0.875 138 R HN 0.324 nan 8.270 nan 0.000 0.445 139 L N 0.172 121.342 121.223 -0.089 0.000 2.046 139 L HA 0.011 4.342 4.340 -0.015 0.000 0.208 139 L C 2.057 178.648 176.870 -0.465 0.000 1.077 139 L CA 2.102 56.752 54.840 -0.317 0.000 0.747 139 L CB -0.793 41.039 42.059 -0.378 0.000 0.896 139 L HN 0.248 nan 8.230 nan 0.000 0.432 140 A N -0.528 122.154 122.820 -0.230 0.000 1.908 140 A HA -0.168 4.143 4.320 -0.015 0.000 0.218 140 A C 2.446 180.091 177.584 0.101 0.000 1.181 140 A CA 1.941 53.915 52.037 -0.105 0.000 0.627 140 A CB -1.158 17.744 19.000 -0.163 0.000 0.818 140 A HN 0.572 nan 8.150 nan 0.000 0.445 141 A N -1.105 121.806 122.820 0.152 0.000 1.873 141 A HA -0.147 4.164 4.320 -0.015 0.000 0.215 141 A C 2.316 179.978 177.584 0.130 0.000 1.186 141 A CA 1.616 53.761 52.037 0.182 0.000 0.616 141 A CB -1.281 17.810 19.000 0.152 0.000 0.823 141 A HN 0.598 nan 8.150 nan 0.000 0.442 142 C N -1.446 117.935 119.300 0.136 0.000 2.425 142 C HA -0.079 4.372 4.460 -0.015 0.000 0.277 142 C C 2.428 177.590 174.990 0.287 0.000 1.280 142 C CA 0.667 59.805 59.018 0.200 0.000 1.744 142 C CB -1.638 26.246 27.740 0.239 0.000 1.989 142 C HN 0.602 nan 8.230 nan 0.000 0.491 143 F N 1.190 121.121 119.950 -0.032 0.000 2.134 143 F HA -0.075 4.443 4.527 -0.016 0.000 0.299 143 F C 2.232 177.968 175.800 -0.106 0.000 1.097 143 F CA 1.082 59.006 58.000 -0.126 0.000 1.264 143 F CB -1.322 37.459 39.000 -0.366 0.000 1.001 143 F HN 0.198 nan 8.300 nan 0.000 0.479 144 L N -0.560 120.738 121.223 0.125 0.000 2.046 144 L HA -0.230 4.101 4.340 -0.015 0.000 0.208 144 L C 2.401 179.282 176.870 0.017 0.000 1.077 144 L CA 1.792 56.661 54.840 0.048 0.000 0.747 144 L CB -0.770 41.322 42.059 0.055 0.000 0.896 144 L HN 0.170 nan 8.230 nan 0.000 0.432 145 D N -0.027 120.393 120.400 0.033 0.000 2.092 145 D HA -0.181 4.450 4.640 -0.015 0.000 0.193 145 D C 2.073 178.387 176.300 0.023 0.000 0.994 145 D CA 1.792 55.798 54.000 0.010 0.000 0.828 145 D CB 0.308 41.112 40.800 0.007 0.000 0.963 145 D HN 0.225 nan 8.370 nan 0.000 0.450 146 S N -0.053 115.674 115.700 0.045 0.000 2.382 146 S HA -0.101 4.359 4.470 -0.015 0.000 0.228 146 S C 2.124 176.731 174.600 0.011 0.000 1.027 146 S CA 0.845 59.063 58.200 0.029 0.000 0.991 146 S CB -0.129 63.090 63.200 0.032 0.000 0.823 146 S HN 0.350 nan 8.310 nan 0.000 0.469 147 M N 0.895 120.493 119.600 -0.002 0.000 2.175 147 M HA -0.077 4.394 4.480 -0.015 0.000 0.264 147 M C 2.457 178.758 176.300 0.001 0.000 1.063 147 M CA 1.374 56.670 55.300 -0.006 0.000 1.119 147 M CB -0.489 32.088 32.600 -0.039 0.000 1.377 147 M HN 0.398 nan 8.290 nan 0.000 0.415 148 A N -0.247 122.571 122.820 -0.002 0.000 1.897 148 A HA -0.110 4.201 4.320 -0.015 0.000 0.215 148 A C 2.156 179.756 177.584 0.027 0.000 1.181 148 A CA 1.942 53.983 52.037 0.007 0.000 0.620 148 A CB -1.054 17.934 19.000 -0.020 0.000 0.821 148 A HN 0.409 nan 8.150 nan 0.000 0.443 149 T N 0.344 114.918 114.554 0.033 0.000 2.833 149 T HA -0.023 4.317 4.350 -0.015 0.000 0.269 149 T C 1.280 176.010 174.700 0.051 0.000 1.054 149 T CA 1.197 63.331 62.100 0.056 0.000 1.135 149 T CB -0.275 68.634 68.868 0.067 0.000 0.869 149 T HN 0.345 nan 8.240 nan 0.000 0.466 150 L N 0.343 121.592 121.223 0.043 0.000 2.653 150 L HA 0.329 4.659 4.340 -0.015 0.000 0.231 150 L C 1.605 178.509 176.870 0.056 0.000 1.153 150 L CA -0.105 54.763 54.840 0.046 0.000 0.933 150 L CB -0.294 41.790 42.059 0.042 0.000 1.175 150 L HN 0.384 nan 8.230 nan 0.000 0.473 151 G N 1.101 109.939 108.800 0.064 0.000 2.225 151 G HA2 -0.285 3.665 3.960 -0.015 0.000 0.267 151 G HA3 -0.285 3.665 3.960 -0.015 0.000 0.267 151 G C 0.123 175.086 174.900 0.105 0.000 1.024 151 G CA 0.033 45.192 45.100 0.099 0.000 0.784 151 G HN 0.288 nan 8.290 nan 0.000 0.507 152 L N -0.057 121.194 121.223 0.048 0.000 2.350 152 L HA 0.599 4.929 4.340 -0.015 0.000 0.275 152 L C 1.209 177.980 176.870 -0.166 0.000 1.099 152 L CA -0.318 54.504 54.840 -0.030 0.000 0.808 152 L CB 1.531 43.575 42.059 -0.025 0.000 1.149 152 L HN 0.260 nan 8.230 nan 0.000 0.442 153 A N 3.192 125.778 122.820 -0.390 0.000 2.906 153 A HA 0.564 4.875 4.320 -0.015 0.000 0.289 153 A C 0.268 177.512 177.584 -0.566 0.000 1.675 153 A CA -0.131 51.377 52.037 -0.880 0.000 1.372 153 A CB -0.635 17.694 19.000 -1.118 0.000 1.091 153 A HN 0.708 nan 8.150 nan 0.000 0.579 154 A N 1.865 124.388 122.820 -0.495 0.000 2.365 154 A HA 0.788 5.099 4.320 -0.015 0.000 0.318 154 A C -1.068 176.287 177.584 -0.382 0.000 1.091 154 A CA -0.465 51.369 52.037 -0.339 0.000 0.763 154 A CB 0.864 19.726 19.000 -0.230 0.000 1.248 154 A HN 0.632 nan 8.150 nan 0.000 0.442 155 Y N 0.423 120.663 120.300 -0.100 0.000 2.391 155 Y HA 0.549 5.090 4.550 -0.015 0.000 0.341 155 Y C 0.861 176.856 175.900 0.158 0.000 0.965 155 Y CA -0.611 57.510 58.100 0.036 0.000 1.067 155 Y CB 2.506 41.093 38.460 0.211 0.000 1.199 155 Y HN 0.825 nan 8.280 nan 0.000 0.450 156 G N 2.300 111.183 108.800 0.138 0.000 2.325 156 G HA2 0.444 4.395 3.960 -0.015 0.000 0.298 156 G HA3 0.444 4.395 3.960 -0.015 0.000 0.298 156 G C -1.716 173.175 174.900 -0.016 0.000 1.134 156 G CA -0.239 44.959 45.100 0.163 0.000 0.876 156 G HN 0.524 nan 8.290 nan 0.000 0.452 157 Y N 1.318 121.844 120.300 0.377 0.000 2.350 157 Y HA 0.630 5.171 4.550 -0.015 0.000 0.338 157 Y C 0.797 177.012 175.900 0.525 0.000 0.961 157 Y CA 0.192 58.488 58.100 0.327 0.000 1.100 157 Y CB 2.633 41.309 38.460 0.360 0.000 1.179 157 Y HN 0.847 nan 8.280 nan 0.000 0.454 158 G N 2.372 111.502 108.800 0.550 0.000 2.772 158 G HA2 0.615 4.566 3.960 -0.015 0.000 0.284 158 G HA3 0.615 4.566 3.960 -0.015 0.000 0.284 158 G C -1.723 173.427 174.900 0.416 0.000 1.217 158 G CA -0.811 44.645 45.100 0.594 0.000 0.831 158 G HN 0.417 nan 8.290 nan 0.000 0.523 159 I N 0.527 121.238 120.570 0.235 0.000 2.509 159 I HA 0.436 4.597 4.170 -0.015 0.000 0.293 159 I C 0.112 176.145 176.117 -0.140 0.000 1.020 159 I CA -0.736 60.593 61.300 0.048 0.000 1.088 159 I CB 2.355 40.211 38.000 -0.240 0.000 1.267 159 I HN 0.346 nan 8.210 nan 0.000 0.430 160 R N 5.982 126.498 120.500 0.025 0.000 2.608 160 R HA 0.239 4.570 4.340 -0.015 0.000 0.277 160 R C -1.274 175.070 176.300 0.073 0.000 1.341 160 R CA -0.421 55.720 56.100 0.068 0.000 1.199 160 R CB -0.018 30.300 30.300 0.031 0.000 1.156 160 R HN 0.400 nan 8.270 nan 0.000 0.558 161 Y N 1.573 122.030 120.300 0.262 0.000 2.442 161 Y HA -0.065 4.475 4.550 -0.016 0.000 0.330 161 Y C 1.560 177.628 175.900 0.280 0.000 1.129 161 Y CA 0.024 58.265 58.100 0.236 0.000 1.365 161 Y CB 0.835 39.415 38.460 0.200 0.000 1.233 161 Y HN 0.588 nan 8.280 nan 0.000 0.529 162 E N 2.171 122.529 120.200 0.263 0.000 2.150 162 E HA -0.070 4.271 4.350 -0.015 0.000 0.193 162 E C -0.766 175.636 176.600 -0.330 0.000 0.985 162 E CA 0.731 57.063 56.400 -0.113 0.000 0.814 162 E CB 0.179 29.709 29.700 -0.284 0.000 0.752 162 E HN 0.504 nan 8.360 nan 0.000 0.466 163 F N -0.422 119.746 119.950 0.365 0.000 2.507 163 F HA 0.442 4.960 4.527 -0.015 0.000 0.328 163 F C 0.745 176.639 175.800 0.157 0.000 1.136 163 F CA -0.911 57.263 58.000 0.291 0.000 0.930 163 F CB 1.838 40.938 39.000 0.167 0.000 1.166 163 F HN -0.131 nan 8.300 nan 0.000 0.436 164 G N 1.723 110.635 108.800 0.188 0.000 2.509 164 G HA2 0.361 4.312 3.960 -0.015 0.000 0.269 164 G HA3 0.361 4.312 3.960 -0.015 0.000 0.269 164 G C -0.495 174.368 174.900 -0.063 0.000 1.416 164 G CA -0.725 44.327 45.100 -0.081 0.000 1.052 164 G HN 0.574 nan 8.290 nan 0.000 0.542 165 I N 0.822 121.274 120.570 -0.197 0.000 2.826 165 I HA 0.157 4.318 4.170 -0.015 0.000 0.295 165 I C 0.570 176.594 176.117 -0.155 0.000 1.213 165 I CA -0.962 60.197 61.300 -0.235 0.000 1.436 165 I CB -0.325 37.434 38.000 -0.403 0.000 1.348 165 I HN 0.327 nan 8.210 nan 0.000 0.570 166 F N 6.284 126.247 119.950 0.021 0.000 2.595 166 F HA 0.254 4.772 4.527 -0.015 0.000 0.359 166 F C 0.570 176.421 175.800 0.084 0.000 1.147 166 F CA -0.656 57.378 58.000 0.056 0.000 1.341 166 F CB -0.352 38.671 39.000 0.038 0.000 1.104 166 F HN 0.423 nan 8.300 nan 0.000 0.603 167 N N 2.539 121.402 118.700 0.270 0.000 2.475 167 N HA 0.015 4.745 4.740 -0.015 0.000 0.267 167 N C -0.694 175.052 175.510 0.393 0.000 1.169 167 N CA -0.162 53.031 53.050 0.238 0.000 0.947 167 N CB 1.036 39.650 38.487 0.212 0.000 1.061 167 N HN 0.757 nan 8.380 nan 0.000 0.466 168 Q N 2.609 122.613 119.800 0.341 0.000 2.296 168 Q HA 0.148 4.478 4.340 -0.015 0.000 0.257 168 Q C -0.948 175.223 176.000 0.286 0.000 0.942 168 Q CA -0.372 55.672 55.803 0.401 0.000 0.939 168 Q CB 0.645 29.625 28.738 0.402 0.000 1.198 168 Q HN 0.217 nan 8.270 nan 0.000 0.429 169 K N 4.336 124.881 120.400 0.241 0.000 2.221 169 K HA 0.435 4.746 4.320 -0.015 0.000 0.258 169 K C -0.593 176.106 176.600 0.166 0.000 0.944 169 K CA -0.889 55.513 56.287 0.193 0.000 0.823 169 K CB 1.500 34.093 32.500 0.155 0.000 1.113 169 K HN 0.621 nan 8.250 nan 0.000 0.431 170 I N 1.999 122.660 120.570 0.151 0.000 2.315 170 I HA 0.163 4.324 4.170 -0.015 0.000 0.291 170 I C 0.051 176.226 176.117 0.096 0.000 1.006 170 I CA -0.821 60.538 61.300 0.098 0.000 1.265 170 I CB 0.847 38.887 38.000 0.066 0.000 1.387 170 I HN 0.482 nan 8.210 nan 0.000 0.475 171 C N 5.036 124.401 119.300 0.109 0.000 2.381 171 C HA 0.620 5.071 4.460 -0.015 0.000 0.328 171 C C 1.061 176.148 174.990 0.162 0.000 1.190 171 C CA 0.215 59.303 59.018 0.117 0.000 1.369 171 C CB -0.002 27.804 27.740 0.109 0.000 2.029 171 C HN 1.104 nan 8.230 nan 0.000 0.448 172 G N 3.946 112.814 108.800 0.114 0.000 2.225 172 G HA2 0.084 4.035 3.960 -0.015 0.000 0.267 172 G HA3 0.084 4.035 3.960 -0.015 0.000 0.267 172 G C 1.249 176.156 174.900 0.011 0.000 1.024 172 G CA 1.263 46.434 45.100 0.119 0.000 0.784 172 G HN 2.607 nan 8.290 nan 0.000 0.507 173 G N -2.810 105.943 108.800 -0.078 0.000 2.199 173 G HA2 -0.299 3.652 3.960 -0.015 0.000 0.254 173 G HA3 -0.299 3.652 3.960 -0.015 0.000 0.254 173 G C 0.404 175.068 174.900 -0.393 0.000 0.982 173 G CA 0.618 45.549 45.100 -0.281 0.000 0.632 173 G HN 1.177 nan 8.290 nan 0.000 0.529 174 W N 1.083 122.331 121.300 -0.086 0.000 2.449 174 W HA 0.651 5.302 4.660 -0.015 0.000 0.331 174 W C 0.715 177.185 176.519 -0.083 0.000 1.119 174 W CA -0.841 56.447 57.345 -0.095 0.000 1.240 174 W CB 0.797 30.216 29.460 -0.068 0.000 1.251 174 W HN 0.240 nan 8.180 nan 0.000 0.576 175 Q N 3.330 123.230 119.800 0.166 0.000 2.289 175 Q HA 0.141 4.472 4.340 -0.015 0.000 0.273 175 Q C -0.537 175.521 176.000 0.095 0.000 1.029 175 Q CA 0.174 56.045 55.803 0.112 0.000 0.896 175 Q CB 0.471 29.267 28.738 0.096 0.000 1.182 175 Q HN 0.290 nan 8.270 nan 0.000 0.385 176 M N 3.268 122.921 119.600 0.088 0.000 2.436 176 M HA 0.369 4.840 4.480 -0.015 0.000 0.331 176 M C -0.952 175.363 176.300 0.025 0.000 1.135 176 M CA -0.687 54.634 55.300 0.034 0.000 0.987 176 M CB 1.565 34.197 32.600 0.053 0.000 1.687 176 M HN 0.550 nan 8.290 nan 0.000 0.445 177 E N 1.909 122.052 120.200 -0.095 0.000 2.175 177 E HA 0.415 4.755 4.350 -0.015 0.000 0.278 177 E C -0.591 176.010 176.600 0.001 0.000 0.969 177 E CA -0.500 55.816 56.400 -0.139 0.000 0.796 177 E CB 1.313 30.667 29.700 -0.577 0.000 1.104 177 E HN 0.525 nan 8.360 nan 0.000 0.395 178 E N 1.086 121.365 120.200 0.131 0.000 2.312 178 E HA 0.733 5.074 4.350 -0.015 0.000 0.267 178 E C -0.949 175.743 176.600 0.153 0.000 0.894 178 E CA -1.554 54.909 56.400 0.105 0.000 0.773 178 E CB 1.418 31.179 29.700 0.102 0.000 1.241 178 E HN 0.428 nan 8.360 nan 0.000 0.432 179 A N 1.962 124.830 122.820 0.080 0.000 2.546 179 A HA 0.042 4.353 4.320 -0.015 0.000 0.243 179 A C -0.132 177.605 177.584 0.256 0.000 1.063 179 A CA 0.180 52.268 52.037 0.085 0.000 0.757 179 A CB -0.075 18.847 19.000 -0.131 0.000 0.991 179 A HN 0.687 nan 8.150 nan 0.000 0.503 180 D N 1.827 122.444 120.400 0.363 0.000 2.494 180 D HA 0.193 4.824 4.640 -0.015 0.000 0.217 180 D C -0.450 176.185 176.300 0.558 0.000 1.153 180 D CA -0.158 54.071 54.000 0.382 0.000 0.954 180 D CB 0.396 41.358 40.800 0.269 0.000 1.034 180 D HN 0.379 nan 8.370 nan 0.000 0.518 181 D N 3.985 124.669 120.400 0.475 0.000 2.845 181 D HA -0.012 4.619 4.640 -0.015 0.000 0.235 181 D C 1.122 177.561 176.300 0.232 0.000 1.158 181 D CA -0.558 53.662 54.000 0.367 0.000 0.990 181 D CB -0.194 40.802 40.800 0.326 0.000 1.094 181 D HN 0.557 nan 8.370 nan 0.000 0.486 182 W N 1.449 122.787 121.300 0.063 0.000 2.525 182 W HA -0.029 4.622 4.660 -0.015 0.000 0.259 182 W C 0.112 176.680 176.519 0.081 0.000 1.253 182 W CA 0.098 57.497 57.345 0.089 0.000 1.262 182 W CB -0.747 28.768 29.460 0.090 0.000 1.122 182 W HN 0.170 nan 8.180 nan 0.000 0.607 183 L N 0.856 121.729 121.223 -0.584 0.000 2.607 183 L HA 0.185 4.516 4.340 -0.015 0.000 0.228 183 L C 2.736 179.440 176.870 -0.277 0.000 1.123 183 L CA -0.031 54.441 54.840 -0.613 0.000 0.890 183 L CB -0.612 40.946 42.059 -0.835 0.000 1.103 183 L HN -0.112 nan 8.230 nan 0.000 0.468 184 R N 0.731 121.119 120.500 -0.186 0.000 2.112 184 R HA -0.241 4.089 4.340 -0.015 0.000 0.242 184 R C 1.489 177.609 176.300 -0.301 0.000 1.137 184 R CA 2.214 58.160 56.100 -0.258 0.000 0.944 184 R CB -0.260 29.842 30.300 -0.331 0.000 0.857 184 R HN 0.293 nan 8.270 nan 0.000 0.435 185 Y N -0.349 119.974 120.300 0.040 0.000 2.466 185 Y HA 0.319 4.860 4.550 -0.015 0.000 0.272 185 Y C 0.889 176.790 175.900 0.003 0.000 1.169 185 Y CA 0.453 58.592 58.100 0.065 0.000 1.285 185 Y CB 0.635 39.259 38.460 0.272 0.000 1.078 185 Y HN 0.458 nan 8.280 nan 0.000 0.523 186 G N 1.292 110.138 108.800 0.076 0.000 2.699 186 G HA2 -0.221 3.729 3.960 -0.015 0.000 0.686 186 G HA3 -0.221 3.729 3.960 -0.015 0.000 0.686 186 G C -1.247 173.727 174.900 0.125 0.000 1.301 186 G CA -0.777 44.328 45.100 0.009 0.000 0.816 186 G HN 0.288 nan 8.290 nan 0.000 0.595 187 N N 1.254 119.965 118.700 0.018 0.000 2.524 187 N HA 0.595 5.326 4.740 -0.015 0.000 0.261 187 N C -0.648 174.859 175.510 -0.005 0.000 0.998 187 N CA -2.012 51.074 53.050 0.061 0.000 0.915 187 N CB 2.017 40.481 38.487 -0.037 0.000 1.187 187 N HN 0.229 nan 8.380 nan 0.000 0.507 188 P HA 0.014 nan 4.420 nan 0.000 0.226 188 P C 0.611 177.596 177.300 -0.525 0.000 1.153 188 P CA 0.756 63.545 63.100 -0.517 0.000 0.777 188 P CB 0.095 31.169 31.700 -1.045 0.000 0.794 189 W N 1.968 123.277 121.300 0.015 0.000 2.476 189 W HA 0.024 4.675 4.660 -0.015 0.000 0.281 189 W C 1.340 177.894 176.519 0.059 0.000 1.230 189 W CA -0.239 57.112 57.345 0.009 0.000 1.287 189 W CB -0.439 29.028 29.460 0.011 0.000 1.108 189 W HN 0.003 nan 8.180 nan 0.000 0.567 190 E N 1.806 122.175 120.200 0.282 0.000 2.349 190 E HA 0.287 4.628 4.350 -0.015 0.000 0.265 190 E C -0.617 176.153 176.600 0.283 0.000 1.064 190 E CA -0.655 55.922 56.400 0.295 0.000 0.886 190 E CB 1.228 31.112 29.700 0.307 0.000 1.036 190 E HN -0.308 nan 8.360 nan 0.000 0.413 191 K N 1.491 122.079 120.400 0.313 0.000 2.535 191 K HA 0.412 4.723 4.320 -0.015 0.000 0.253 191 K C -1.186 175.458 176.600 0.074 0.000 0.953 191 K CA -0.478 55.932 56.287 0.204 0.000 0.863 191 K CB 1.585 34.215 32.500 0.216 0.000 1.111 191 K HN 0.664 nan 8.250 nan 0.000 0.431 192 A N 4.237 127.017 122.820 -0.066 0.000 2.511 192 A HA 0.311 4.622 4.320 -0.015 0.000 0.242 192 A C -0.270 177.137 177.584 -0.296 0.000 1.069 192 A CA -0.039 51.707 52.037 -0.486 0.000 0.763 192 A CB 0.192 18.924 19.000 -0.446 0.000 1.001 192 A HN 0.669 nan 8.150 nan 0.000 0.498 193 R N 3.294 123.600 120.500 -0.324 0.000 2.835 193 R HA 0.203 4.534 4.340 -0.015 0.000 0.290 193 R C -2.354 173.831 176.300 -0.192 0.000 1.410 193 R CA -1.728 54.263 56.100 -0.180 0.000 1.590 193 R CB 0.624 30.963 30.300 0.065 0.000 1.288 193 R HN 0.550 nan 8.270 nan 0.000 0.637 194 P HA -0.200 nan 4.420 nan 0.000 0.219 194 P C 1.005 178.222 177.300 -0.139 0.000 1.146 194 P CA 1.189 64.209 63.100 -0.132 0.000 0.808 194 P CB 0.353 31.983 31.700 -0.117 0.000 0.779 195 E N -0.307 119.713 120.200 -0.301 0.000 2.338 195 E HA -0.145 4.196 4.350 -0.015 0.000 0.197 195 E C 0.601 176.994 176.600 -0.345 0.000 1.007 195 E CA 0.916 57.083 56.400 -0.390 0.000 0.849 195 E CB -0.845 28.499 29.700 -0.593 0.000 0.774 195 E HN 0.265 nan 8.360 nan 0.000 0.506 196 F N 1.855 121.821 119.950 0.026 0.000 2.684 196 F HA 0.277 4.795 4.527 -0.015 0.000 0.298 196 F C 0.459 176.351 175.800 0.153 0.000 1.120 196 F CA -0.636 57.409 58.000 0.075 0.000 1.332 196 F CB -0.054 38.984 39.000 0.062 0.000 0.986 196 F HN -0.292 nan 8.300 nan 0.000 0.524 197 T N 2.546 117.244 114.554 0.240 0.000 2.932 197 T HA 0.311 4.652 4.350 -0.015 0.000 0.312 197 T C -0.310 174.498 174.700 0.179 0.000 1.071 197 T CA 0.344 62.582 62.100 0.231 0.000 1.128 197 T CB 0.827 69.780 68.868 0.143 0.000 0.984 197 T HN -0.147 nan 8.240 nan 0.000 0.549 198 L N 4.740 126.036 121.223 0.122 0.000 2.422 198 L HA 0.534 4.865 4.340 -0.015 0.000 0.264 198 L C -2.328 174.506 176.870 -0.059 0.000 0.984 198 L CA -2.517 52.325 54.840 0.004 0.000 0.819 198 L CB 2.141 44.131 42.059 -0.116 0.000 1.330 198 L HN 0.382 nan 8.230 nan 0.000 0.410 199 P HA 0.356 nan 4.420 nan 0.000 0.284 199 P C -1.117 176.071 177.300 -0.188 0.000 1.253 199 P CA -0.332 62.697 63.100 -0.118 0.000 0.800 199 P CB 1.542 33.169 31.700 -0.123 0.000 0.961 200 V N 4.108 123.898 119.914 -0.207 0.000 2.604 200 V HA 0.324 4.435 4.120 -0.015 0.000 0.305 200 V C 0.186 176.092 176.094 -0.313 0.000 1.043 200 V CA -0.596 61.570 62.300 -0.222 0.000 0.888 200 V CB 1.335 33.071 31.823 -0.144 0.000 0.995 200 V HN 0.597 nan 8.190 nan 0.000 0.429 201 H N 3.941 122.867 119.070 -0.241 0.000 2.472 201 H HA 0.609 5.156 4.556 -0.015 0.000 0.338 201 H C -1.282 173.786 175.328 -0.434 0.000 1.133 201 H CA -0.159 55.674 56.048 -0.359 0.000 1.216 201 H CB 1.949 31.266 29.762 -0.741 0.000 1.497 201 H HN 0.476 nan 8.280 nan 0.000 0.500 202 F N 0.335 120.347 119.950 0.102 0.000 2.613 202 F HA 0.206 4.724 4.527 -0.015 0.000 0.314 202 F C -0.207 175.716 175.800 0.206 0.000 1.075 202 F CA -0.509 57.559 58.000 0.114 0.000 0.945 202 F CB 1.115 40.105 39.000 -0.017 0.000 1.310 202 F HN 0.569 nan 8.300 nan 0.000 0.467 203 Y N 0.208 120.808 120.300 0.500 0.000 2.896 203 Y HA -0.038 4.503 4.550 -0.015 0.000 0.466 203 Y C 1.374 177.534 175.900 0.433 0.000 1.197 203 Y CA 0.691 59.002 58.100 0.353 0.000 2.513 203 Y CB -1.935 36.656 38.460 0.218 0.000 1.232 203 Y HN 1.264 nan 8.280 nan 0.000 0.632 204 G N 0.715 109.792 108.800 0.462 0.000 2.645 204 G HA2 0.050 4.001 3.960 -0.015 0.000 0.239 204 G HA3 0.050 4.001 3.960 -0.015 0.000 0.239 204 G C -0.518 174.597 174.900 0.360 0.000 1.331 204 G CA 0.887 46.181 45.100 0.324 0.000 0.890 204 G HN 1.324 nan 8.290 nan 0.000 0.572 205 R N -2.489 118.213 120.500 0.337 0.000 2.781 205 R HA 0.735 5.065 4.340 -0.015 0.000 0.269 205 R C -1.310 175.127 176.300 0.228 0.000 1.025 205 R CA -0.991 55.250 56.100 0.234 0.000 0.914 205 R CB 1.437 31.821 30.300 0.140 0.000 1.236 205 R HN 0.846 nan 8.270 nan 0.000 0.465 206 V N 0.847 120.809 119.914 0.081 0.000 2.394 206 V HA 0.352 4.463 4.120 -0.015 0.000 0.282 206 V C -0.240 175.797 176.094 -0.095 0.000 1.031 206 V CA -0.528 61.749 62.300 -0.039 0.000 0.881 206 V CB 1.254 32.988 31.823 -0.148 0.000 0.982 206 V HN 0.741 nan 8.190 nan 0.000 0.451 207 E N 2.987 123.106 120.200 -0.136 0.000 2.171 207 E HA 0.423 4.764 4.350 -0.015 0.000 0.271 207 E C -1.046 175.408 176.600 -0.242 0.000 0.916 207 E CA -0.697 55.638 56.400 -0.107 0.000 0.774 207 E CB 0.957 30.643 29.700 -0.024 0.000 1.128 207 E HN 0.717 nan 8.360 nan 0.000 0.403 208 H N 2.049 121.134 119.070 0.024 0.000 2.467 208 H HA 0.299 4.846 4.556 -0.015 0.000 0.326 208 H C 0.140 175.477 175.328 0.014 0.000 1.094 208 H CA -0.255 55.802 56.048 0.016 0.000 1.253 208 H CB 1.707 31.474 29.762 0.008 0.000 1.439 208 H HN 0.641 nan 8.280 nan 0.000 0.479 209 T N -1.295 113.333 114.554 0.123 0.000 2.724 209 T HA 0.236 4.577 4.350 -0.015 0.000 0.274 209 T C 1.230 175.970 174.700 0.066 0.000 0.984 209 T CA -0.616 61.528 62.100 0.073 0.000 1.024 209 T CB 0.936 69.830 68.868 0.043 0.000 1.320 209 T HN 0.340 nan 8.240 nan 0.000 0.555 210 S N 0.111 115.837 115.700 0.044 0.000 2.368 210 S HA -0.051 4.410 4.470 -0.015 0.000 0.224 210 S C 1.414 176.036 174.600 0.036 0.000 1.029 210 S CA 1.007 59.228 58.200 0.034 0.000 0.988 210 S CB -0.493 62.722 63.200 0.025 0.000 0.838 210 S HN 0.676 nan 8.310 nan 0.000 0.462 211 Q N 1.226 121.047 119.800 0.035 0.000 2.404 211 Q HA 0.435 4.766 4.340 -0.015 0.000 0.272 211 Q C 0.867 176.890 176.000 0.039 0.000 0.939 211 Q CA 0.259 56.081 55.803 0.032 0.000 0.945 211 Q CB -0.593 28.160 28.738 0.024 0.000 1.195 211 Q HN 0.512 nan 8.270 nan 0.000 0.415 212 G N 0.075 108.911 108.800 0.059 0.000 2.697 212 G HA2 -0.185 3.766 3.960 -0.015 0.000 0.240 212 G HA3 -0.185 3.766 3.960 -0.015 0.000 0.240 212 G C -0.209 174.735 174.900 0.074 0.000 1.346 212 G CA -0.638 44.514 45.100 0.086 0.000 0.887 212 G HN 0.661 nan 8.290 nan 0.000 0.569 213 A N -0.088 122.766 122.820 0.056 0.000 2.407 213 A HA 0.624 4.935 4.320 -0.015 0.000 0.248 213 A C 0.545 178.082 177.584 -0.078 0.000 1.082 213 A CA 0.668 52.639 52.037 -0.109 0.000 0.785 213 A CB 0.438 19.335 19.000 -0.171 0.000 1.020 213 A HN 0.721 nan 8.150 nan 0.000 0.489 214 K N 0.940 121.280 120.400 -0.099 0.000 2.443 214 K HA 0.184 4.495 4.320 -0.015 0.000 0.252 214 K C -1.830 174.805 176.600 0.058 0.000 0.933 214 K CA -0.339 55.940 56.287 -0.013 0.000 0.792 214 K CB 2.138 34.632 32.500 -0.010 0.000 1.185 214 K HN 0.758 nan 8.250 nan 0.000 0.425 215 W N 5.382 126.604 121.300 -0.131 0.000 2.308 215 W HA 0.343 4.994 4.660 -0.015 0.000 0.311 215 W C -0.609 175.855 176.519 -0.092 0.000 1.088 215 W CA -0.799 56.477 57.345 -0.115 0.000 1.309 215 W CB 0.129 29.511 29.460 -0.131 0.000 1.229 215 W HN 0.296 nan 8.180 nan 0.000 0.427 216 V N 2.812 122.787 119.914 0.101 0.000 3.126 216 V HA 0.603 4.713 4.120 -0.015 0.000 0.314 216 V C -0.112 175.968 176.094 -0.022 0.000 1.138 216 V CA -0.964 61.320 62.300 -0.026 0.000 1.034 216 V CB 2.004 33.835 31.823 0.014 0.000 1.075 216 V HN 0.466 nan 8.190 nan 0.000 0.442 217 D N 0.300 120.683 120.400 -0.029 0.000 2.772 217 D HA -0.141 4.490 4.640 -0.015 0.000 0.233 217 D C 0.562 176.868 176.300 0.009 0.000 1.143 217 D CA 1.531 55.533 54.000 0.003 0.000 0.700 217 D CB -1.545 39.277 40.800 0.037 0.000 1.076 217 D HN 1.306 nan 8.370 nan 0.000 0.430 218 T N -2.679 111.836 114.554 -0.065 0.000 2.904 218 T HA 0.438 4.779 4.350 -0.015 0.000 0.290 218 T C 0.473 175.214 174.700 0.069 0.000 1.018 218 T CA -0.668 61.404 62.100 -0.048 0.000 1.075 218 T CB 1.919 70.605 68.868 -0.305 0.000 0.986 218 T HN 0.038 nan 8.240 nan 0.000 0.523 219 Q N 0.900 120.808 119.800 0.181 0.000 2.267 219 Q HA 0.507 4.838 4.340 -0.015 0.000 0.255 219 Q C -0.832 175.265 176.000 0.162 0.000 0.923 219 Q CA -0.772 55.143 55.803 0.187 0.000 0.925 219 Q CB 1.638 30.552 28.738 0.294 0.000 1.195 219 Q HN 0.526 nan 8.270 nan 0.000 0.417 220 V N 3.608 123.564 119.914 0.071 0.000 2.394 220 V HA 0.316 4.427 4.120 -0.015 0.000 0.282 220 V C -0.253 175.926 176.094 0.142 0.000 1.031 220 V CA -0.548 61.725 62.300 -0.045 0.000 0.881 220 V CB 1.565 33.307 31.823 -0.136 0.000 0.982 220 V HN 0.487 nan 8.190 nan 0.000 0.451 221 V N 6.378 126.403 119.914 0.185 0.000 2.495 221 V HA 0.459 4.570 4.120 -0.015 0.000 0.298 221 V C -0.068 176.149 176.094 0.205 0.000 1.031 221 V CA -0.636 61.819 62.300 0.258 0.000 0.871 221 V CB 1.924 33.988 31.823 0.402 0.000 0.988 221 V HN 0.631 nan 8.190 nan 0.000 0.432 222 L N 3.911 125.248 121.223 0.190 0.000 2.349 222 L HA 0.665 4.995 4.340 -0.015 0.000 0.275 222 L C 0.500 177.560 176.870 0.318 0.000 1.115 222 L CA -0.219 54.727 54.840 0.177 0.000 0.820 222 L CB 1.282 43.422 42.059 0.134 0.000 1.135 222 L HN 0.753 nan 8.230 nan 0.000 0.445 223 A N 5.621 128.575 122.820 0.223 0.000 2.256 223 A HA 0.582 4.893 4.320 -0.015 0.000 0.317 223 A C -0.458 177.392 177.584 0.445 0.000 1.318 223 A CA -0.485 51.715 52.037 0.272 0.000 0.894 223 A CB 0.892 19.593 19.000 -0.499 0.000 1.165 223 A HN 0.787 nan 8.150 nan 0.000 0.525 224 M N 5.809 125.739 119.600 0.550 0.000 2.180 224 M HA 0.490 4.961 4.480 -0.015 0.000 0.350 224 M C -2.645 173.917 176.300 0.437 0.000 1.125 224 M CA -2.147 53.412 55.300 0.432 0.000 1.031 224 M CB 2.118 34.880 32.600 0.271 0.000 1.623 224 M HN 0.329 nan 8.290 nan 0.000 0.451 225 P HA 0.266 nan 4.420 nan 0.000 0.288 225 P C -1.943 175.271 177.300 -0.143 0.000 1.267 225 P CA -0.007 62.980 63.100 -0.189 0.000 0.815 225 P CB 0.462 31.890 31.700 -0.455 0.000 0.989 226 Y N 0.704 120.942 120.300 -0.104 0.000 2.328 226 Y HA 0.326 4.867 4.550 -0.015 0.000 0.336 226 Y C 0.244 176.133 175.900 -0.018 0.000 0.960 226 Y CA -0.280 57.815 58.100 -0.008 0.000 1.134 226 Y CB 1.231 39.716 38.460 0.042 0.000 1.166 226 Y HN 0.222 nan 8.280 nan 0.000 0.464 227 D N 2.047 122.560 120.400 0.189 0.000 2.198 227 D HA 0.380 5.010 4.640 -0.015 0.000 0.245 227 D C -0.596 175.925 176.300 0.368 0.000 1.079 227 D CA -0.194 53.963 54.000 0.261 0.000 0.854 227 D CB 1.642 42.633 40.800 0.320 0.000 1.148 227 D HN 0.374 nan 8.370 nan 0.000 0.456 228 T N 3.377 118.046 114.554 0.191 0.000 2.812 228 T HA 0.438 4.779 4.350 -0.015 0.000 0.282 228 T C -2.534 171.988 174.700 -0.296 0.000 0.990 228 T CA -1.488 60.618 62.100 0.011 0.000 0.960 228 T CB 1.998 70.880 68.868 0.022 0.000 0.948 228 T HN 0.157 nan 8.240 nan 0.000 0.438 229 P HA 0.250 nan 4.420 nan 0.000 0.271 229 P C -0.918 176.051 177.300 -0.552 0.000 1.216 229 P CA -0.326 62.087 63.100 -1.144 0.000 0.771 229 P CB 0.720 31.618 31.700 -1.337 0.000 0.864 230 V N 5.554 125.210 119.914 -0.431 0.000 2.305 230 V HA 0.260 4.371 4.120 -0.015 0.000 0.275 230 V C -2.058 173.910 176.094 -0.210 0.000 1.020 230 V CA -1.941 60.201 62.300 -0.263 0.000 0.811 230 V CB 1.319 33.034 31.823 -0.180 0.000 1.031 230 V HN 0.534 nan 8.190 nan 0.000 0.439 231 P HA 0.269 nan 4.420 nan 0.000 0.280 231 P C 0.394 177.648 177.300 -0.077 0.000 1.244 231 P CA 0.270 63.288 63.100 -0.136 0.000 0.784 231 P CB 1.495 33.113 31.700 -0.137 0.000 0.913 232 G N 2.254 111.026 108.800 -0.046 0.000 2.606 232 G HA2 0.116 4.066 3.960 -0.015 0.000 0.252 232 G HA3 0.116 4.066 3.960 -0.015 0.000 0.252 232 G C -1.122 173.791 174.900 0.022 0.000 1.206 232 G CA -0.529 44.571 45.100 0.000 0.000 0.861 232 G HN 0.508 nan 8.290 nan 0.000 0.561 233 Y N 0.595 120.858 120.300 -0.061 0.000 2.587 233 Y HA 0.239 4.779 4.550 -0.016 0.000 0.344 233 Y C 1.338 177.201 175.900 -0.060 0.000 1.061 233 Y CA -0.124 57.935 58.100 -0.068 0.000 1.370 233 Y CB 0.221 38.639 38.460 -0.070 0.000 1.163 233 Y HN 0.729 nan 8.280 nan 0.000 0.527 234 R N 2.587 122.753 120.500 -0.556 0.000 3.722 234 R HA -0.326 4.004 4.340 -0.015 0.000 0.284 234 R C 0.168 176.328 176.300 -0.234 0.000 1.165 234 R CA 1.587 57.397 56.100 -0.482 0.000 0.779 234 R CB -1.890 27.960 30.300 -0.750 0.000 1.179 234 R HN 0.941 nan 8.270 nan 0.000 0.491 235 N N -1.359 117.256 118.700 -0.141 0.000 2.171 235 N HA 0.054 4.785 4.740 -0.015 0.000 0.212 235 N C -0.187 175.277 175.510 -0.077 0.000 1.184 235 N CA -0.242 52.758 53.050 -0.084 0.000 0.888 235 N CB 0.493 38.958 38.487 -0.038 0.000 1.038 235 N HN 0.073 nan 8.380 nan 0.000 0.517 236 N N -0.172 118.478 118.700 -0.083 0.000 2.753 236 N HA -0.135 4.596 4.740 -0.015 0.000 0.251 236 N C -0.946 174.528 175.510 -0.060 0.000 1.097 236 N CA 0.561 53.571 53.050 -0.067 0.000 0.786 236 N CB -1.345 37.102 38.487 -0.067 0.000 1.137 236 N HN 0.186 nan 8.380 nan 0.000 0.566 237 V N 1.278 121.162 119.914 -0.051 0.000 2.461 237 V HA 0.358 4.469 4.120 -0.015 0.000 0.275 237 V C 0.603 176.678 176.094 -0.032 0.000 1.047 237 V CA -0.407 61.873 62.300 -0.033 0.000 0.955 237 V CB 1.961 33.789 31.823 0.008 0.000 0.988 237 V HN -0.023 nan 8.190 nan 0.000 0.471 238 V N 5.772 125.677 119.914 -0.016 0.000 2.357 238 V HA 0.419 4.530 4.120 -0.015 0.000 0.281 238 V C 0.022 176.130 176.094 0.022 0.000 1.015 238 V CA -0.875 61.392 62.300 -0.055 0.000 0.827 238 V CB 1.339 33.110 31.823 -0.086 0.000 1.018 238 V HN 0.827 nan 8.190 nan 0.000 0.432 239 N N 2.020 120.700 118.700 -0.033 0.000 2.405 239 N HA 0.517 5.248 4.740 -0.015 0.000 0.269 239 N C 0.019 175.512 175.510 -0.029 0.000 1.249 239 N CA -0.221 52.823 53.050 -0.010 0.000 0.974 239 N CB 1.050 39.487 38.487 -0.084 0.000 1.204 239 N HN 0.567 nan 8.380 nan 0.000 0.565 240 T N 0.800 115.341 114.554 -0.022 0.000 2.824 240 T HA 0.379 4.720 4.350 -0.015 0.000 0.282 240 T C -0.189 174.473 174.700 -0.063 0.000 0.993 240 T CA -0.503 61.652 62.100 0.093 0.000 0.967 240 T CB 0.988 70.024 68.868 0.280 0.000 0.960 240 T HN 0.302 nan 8.240 nan 0.000 0.441 241 M N 4.023 123.554 119.600 -0.115 0.000 2.088 241 M HA 0.487 4.958 4.480 -0.015 0.000 0.346 241 M C -0.382 175.774 176.300 -0.240 0.000 1.111 241 M CA -0.739 54.408 55.300 -0.254 0.000 1.017 241 M CB 0.591 32.984 32.600 -0.344 0.000 1.568 241 M HN 0.490 nan 8.290 nan 0.000 0.445 242 R N 5.943 126.195 120.500 -0.413 0.000 2.265 242 R HA 0.623 4.954 4.340 -0.015 0.000 0.328 242 R C -1.965 174.050 176.300 -0.475 0.000 0.969 242 R CA -0.428 55.383 56.100 -0.482 0.000 0.832 242 R CB 0.858 30.705 30.300 -0.754 0.000 1.139 242 R HN 0.824 nan 8.270 nan 0.000 0.457 243 L N 5.116 126.163 121.223 -0.293 0.000 2.341 243 L HA 0.500 4.831 4.340 -0.015 0.000 0.278 243 L C -0.875 175.954 176.870 -0.068 0.000 1.005 243 L CA -0.898 53.869 54.840 -0.121 0.000 0.818 243 L CB 1.558 43.635 42.059 0.030 0.000 1.259 243 L HN 0.607 nan 8.230 nan 0.000 0.418 244 W N 1.946 123.378 121.300 0.221 0.000 2.365 244 W HA 0.489 5.140 4.660 -0.015 0.000 0.316 244 W C 0.499 177.265 176.519 0.413 0.000 1.164 244 W CA -0.221 57.280 57.345 0.260 0.000 1.204 244 W CB 1.597 31.070 29.460 0.021 0.000 1.213 244 W HN 0.333 nan 8.180 nan 0.000 0.539 245 S N 1.828 117.958 115.700 0.716 0.000 2.503 245 S HA 0.780 5.241 4.470 -0.015 0.000 0.301 245 S C -0.479 174.470 174.600 0.581 0.000 1.087 245 S CA -0.702 57.819 58.200 0.536 0.000 1.042 245 S CB 0.707 64.181 63.200 0.458 0.000 1.043 245 S HN 0.505 nan 8.310 nan 0.000 0.489 246 A N 4.697 127.690 122.820 0.287 0.000 2.320 246 A HA 0.651 4.962 4.320 -0.015 0.000 0.287 246 A C -0.144 177.510 177.584 0.117 0.000 1.181 246 A CA -0.336 51.771 52.037 0.117 0.000 0.831 246 A CB 0.382 19.180 19.000 -0.337 0.000 1.102 246 A HN 0.658 nan 8.150 nan 0.000 0.513 247 K N 1.262 121.751 120.400 0.149 0.000 2.427 247 K HA 0.608 4.919 4.320 -0.015 0.000 0.252 247 K C -0.463 176.158 176.600 0.034 0.000 0.931 247 K CA -0.468 55.867 56.287 0.080 0.000 0.793 247 K CB 2.285 34.856 32.500 0.119 0.000 1.211 247 K HN 0.836 nan 8.250 nan 0.000 0.426 248 A N 4.232 127.009 122.820 -0.072 0.000 2.388 248 A HA 0.429 4.740 4.320 -0.015 0.000 0.257 248 A C -2.144 175.453 177.584 0.022 0.000 1.095 248 A CA -1.004 50.953 52.037 -0.132 0.000 0.791 248 A CB -0.281 18.407 19.000 -0.520 0.000 1.029 248 A HN 0.337 nan 8.150 nan 0.000 0.489 249 P HA 0.150 nan 4.420 nan 0.000 0.274 249 P C -0.040 177.353 177.300 0.155 0.000 1.237 249 P CA -0.374 62.809 63.100 0.139 0.000 0.793 249 P CB 0.597 32.388 31.700 0.151 0.000 0.977 250 N N 0.607 119.373 118.700 0.109 0.000 2.457 250 N HA -0.098 4.633 4.740 -0.015 0.000 0.180 250 N C 0.768 176.350 175.510 0.120 0.000 1.050 250 N CA 0.844 53.955 53.050 0.101 0.000 0.906 250 N CB -0.456 38.073 38.487 0.070 0.000 0.968 250 N HN 0.534 nan 8.380 nan 0.000 0.445 251 D N -0.694 119.776 120.400 0.117 0.000 2.325 251 D HA -0.090 4.541 4.640 -0.015 0.000 0.234 251 D C -0.047 176.317 176.300 0.106 0.000 1.122 251 D CA -0.535 53.522 54.000 0.095 0.000 0.850 251 D CB -1.048 39.787 40.800 0.059 0.000 0.921 251 D HN 0.093 nan 8.370 nan 0.000 0.513 252 F N 2.101 122.060 119.950 0.015 0.000 2.571 252 F HA 0.044 4.561 4.527 -0.015 0.000 0.384 252 F C 1.253 177.053 175.800 -0.001 0.000 1.058 252 F CA 0.665 58.670 58.000 0.008 0.000 1.200 252 F CB -0.133 38.870 39.000 0.006 0.000 1.077 252 F HN 0.033 nan 8.300 nan 0.000 0.558 253 N N 1.802 120.247 118.700 -0.425 0.000 2.886 253 N HA -0.326 4.405 4.740 -0.015 0.000 0.223 253 N C 0.003 175.469 175.510 -0.073 0.000 0.828 253 N CA 1.181 54.079 53.050 -0.254 0.000 1.180 253 N CB -0.842 37.567 38.487 -0.131 0.000 0.972 253 N HN 0.409 nan 8.380 nan 0.000 0.616 262 Y N 1.353 121.665 120.300 0.020 0.000 2.145 262 Y HA -0.040 4.501 4.550 -0.015 0.000 0.286 262 Y C 2.697 178.616 175.900 0.033 0.000 1.145 262 Y CA 2.318 60.433 58.100 0.026 0.000 1.148 262 Y CB -0.092 38.381 38.460 0.021 0.000 0.981 262 Y HN 0.213 nan 8.280 nan 0.000 0.507 263 I N 0.513 121.048 120.570 -0.059 0.000 2.127 263 I HA -0.310 3.851 4.170 -0.015 0.000 0.241 263 I C 2.412 178.443 176.117 -0.143 0.000 1.075 263 I CA 1.827 63.040 61.300 -0.145 0.000 1.334 263 I CB -1.505 36.510 38.000 0.025 0.000 1.040 263 I HN 0.323 nan 8.210 nan 0.000 0.405 264 Q N 1.142 120.909 119.800 -0.055 0.000 2.096 264 Q HA -0.158 4.173 4.340 -0.015 0.000 0.204 264 Q C 2.235 178.221 176.000 -0.024 0.000 0.982 264 Q CA 2.430 58.217 55.803 -0.026 0.000 0.850 264 Q CB -0.447 28.292 28.738 0.002 0.000 0.901 264 Q HN 0.484 nan 8.270 nan 0.000 0.422 265 A N -0.798 121.998 122.820 -0.041 0.000 1.908 265 A HA -0.166 4.145 4.320 -0.015 0.000 0.218 265 A C 2.263 179.856 177.584 0.015 0.000 1.181 265 A CA 1.808 53.849 52.037 0.006 0.000 0.627 265 A CB -0.807 18.187 19.000 -0.011 0.000 0.818 265 A HN 0.280 nan 8.150 nan 0.000 0.445 266 V N 0.036 119.858 119.914 -0.154 0.000 2.453 266 V HA -0.197 3.914 4.120 -0.015 0.000 0.247 266 V C 2.476 178.514 176.094 -0.092 0.000 1.048 266 V CA 1.690 63.894 62.300 -0.159 0.000 1.049 266 V CB -0.675 30.960 31.823 -0.314 0.000 0.672 266 V HN 0.565 nan 8.190 nan 0.000 0.457 267 L N -0.241 120.938 121.223 -0.074 0.000 2.141 267 L HA -0.115 4.216 4.340 -0.015 0.000 0.209 267 L C 1.923 178.780 176.870 -0.022 0.000 1.094 267 L CA 1.163 55.976 54.840 -0.045 0.000 0.763 267 L CB -0.628 41.413 42.059 -0.031 0.000 0.908 267 L HN 0.331 nan 8.230 nan 0.000 0.437 268 D N -0.010 120.411 120.400 0.036 0.000 2.363 268 D HA -0.057 4.574 4.640 -0.015 0.000 0.226 268 D C 2.099 178.415 176.300 0.026 0.000 1.020 268 D CA 0.390 54.458 54.000 0.115 0.000 0.892 268 D CB 0.026 40.966 40.800 0.235 0.000 0.900 268 D HN 0.218 nan 8.370 nan 0.000 0.531 269 R N 0.317 120.682 120.500 -0.226 0.000 2.152 269 R HA -0.059 4.272 4.340 -0.015 0.000 0.232 269 R C 1.684 177.716 176.300 -0.447 0.000 1.117 269 R CA 0.845 56.520 56.100 -0.708 0.000 0.981 269 R CB -0.239 29.791 30.300 -0.450 0.000 0.870 269 R HN 0.327 nan 8.270 nan 0.000 0.451 270 N N 0.248 118.825 118.700 -0.206 0.000 2.192 270 N HA -0.189 4.542 4.740 -0.015 0.000 0.188 270 N C 1.218 176.674 175.510 -0.091 0.000 1.013 270 N CA 0.757 53.739 53.050 -0.113 0.000 0.863 270 N CB -0.072 38.384 38.487 -0.052 0.000 0.990 270 N HN 0.016 nan 8.380 nan 0.000 0.430 271 L N 1.052 122.234 121.223 -0.068 0.000 2.017 271 L HA -0.118 4.213 4.340 -0.015 0.000 0.208 271 L C 2.453 179.308 176.870 -0.024 0.000 1.073 271 L CA 1.422 56.262 54.840 0.001 0.000 0.745 271 L CB -1.186 40.933 42.059 0.100 0.000 0.894 271 L HN 0.155 nan 8.230 nan 0.000 0.432 272 A N -0.952 121.816 122.820 -0.086 0.000 1.969 272 A HA -0.171 4.140 4.320 -0.015 0.000 0.218 272 A C 2.143 179.662 177.584 -0.108 0.000 1.169 272 A CA 1.421 53.416 52.037 -0.070 0.000 0.635 272 A CB -0.419 18.520 19.000 -0.102 0.000 0.810 272 A HN 0.536 nan 8.150 nan 0.000 0.445 273 E N -0.152 119.974 120.200 -0.122 0.000 2.435 273 E HA -0.047 4.294 4.350 -0.015 0.000 0.195 273 E C 1.004 177.573 176.600 -0.051 0.000 1.029 273 E CA 0.092 56.440 56.400 -0.086 0.000 0.865 273 E CB -0.083 29.573 29.700 -0.073 0.000 0.833 273 E HN 0.464 nan 8.360 nan 0.000 0.510 274 N N 1.108 119.785 118.700 -0.039 0.000 2.364 274 N HA -0.099 4.632 4.740 -0.015 0.000 0.183 274 N C 1.648 177.157 175.510 -0.002 0.000 1.022 274 N CA 0.649 53.700 53.050 0.003 0.000 0.883 274 N CB -0.040 38.452 38.487 0.008 0.000 0.965 274 N HN 0.248 nan 8.380 nan 0.000 0.438 275 I N 0.589 121.105 120.570 -0.089 0.000 2.151 275 I HA -0.279 3.882 4.170 -0.015 0.000 0.243 275 I C 1.528 177.605 176.117 -0.067 0.000 1.080 275 I CA 1.416 62.630 61.300 -0.144 0.000 1.339 275 I CB -0.231 37.531 38.000 -0.396 0.000 1.039 275 I HN 0.145 nan 8.210 nan 0.000 0.409 276 S N -0.440 115.208 115.700 -0.087 0.000 2.622 276 S HA 0.163 4.623 4.470 -0.015 0.000 0.236 276 S C 1.490 176.209 174.600 0.198 0.000 0.956 276 S CA -0.477 57.754 58.200 0.052 0.000 0.971 276 S CB 0.193 63.410 63.200 0.028 0.000 0.782 276 S HN 0.225 nan 8.310 nan 0.000 0.468 277 R N 1.210 121.835 120.500 0.208 0.000 2.073 277 R HA 0.273 4.604 4.340 -0.015 0.000 0.229 277 R C 0.326 176.879 176.300 0.423 0.000 1.120 277 R CA 1.037 57.304 56.100 0.279 0.000 0.967 277 R CB -0.160 30.272 30.300 0.221 0.000 0.862 277 R HN 0.388 nan 8.270 nan 0.000 0.436 278 V N 0.475 120.605 119.914 0.360 0.000 2.851 278 V HA 0.336 4.446 4.120 -0.015 0.000 0.307 278 V C -1.591 174.486 176.094 -0.029 0.000 1.129 278 V CA -1.354 61.080 62.300 0.223 0.000 0.932 278 V CB 1.747 33.620 31.823 0.084 0.000 1.024 278 V HN 0.147 nan 8.190 nan 0.000 0.426 279 L N 7.083 128.055 121.223 -0.418 0.000 2.410 279 L HA 0.453 4.784 4.340 -0.015 0.000 0.273 279 L C -0.758 175.942 176.870 -0.283 0.000 1.152 279 L CA 0.472 54.845 54.840 -0.779 0.000 0.855 279 L CB 0.424 41.938 42.059 -0.908 0.000 1.129 279 L HN 0.686 nan 8.230 nan 0.000 0.463 280 Y N 6.984 127.200 120.300 -0.139 0.000 2.650 280 Y HA 0.154 4.695 4.550 -0.016 0.000 0.331 280 Y C -1.335 174.563 175.900 -0.003 0.000 1.165 280 Y CA -1.087 57.003 58.100 -0.015 0.000 1.473 280 Y CB 0.259 38.737 38.460 0.031 0.000 1.224 280 Y HN 0.574 nan 8.280 nan 0.000 0.533 281 P HA 0.015 nan 4.420 nan 0.000 0.253 281 P C -0.903 176.539 177.300 0.238 0.000 1.508 281 P CA 0.126 63.343 63.100 0.196 0.000 0.883 281 P CB 0.097 32.001 31.700 0.340 0.000 1.519 282 N N 1.418 120.264 118.700 0.244 0.000 2.426 282 N HA 0.132 4.863 4.740 -0.015 0.000 0.257 282 N C -0.609 175.052 175.510 0.253 0.000 1.002 282 N CA 0.038 53.255 53.050 0.279 0.000 0.942 282 N CB 1.038 39.734 38.487 0.348 0.000 1.112 282 N HN 0.075 nan 8.380 nan 0.000 0.499 283 D N 1.272 121.839 120.400 0.278 0.000 2.274 283 D HA 0.150 4.781 4.640 -0.015 0.000 0.239 283 D C -0.119 176.393 176.300 0.354 0.000 1.104 283 D CA -0.274 53.888 54.000 0.270 0.000 0.840 283 D CB 0.243 41.196 40.800 0.254 0.000 1.100 283 D HN 0.328 nan 8.370 nan 0.000 0.477 284 N N 3.156 122.034 118.700 0.296 0.000 2.705 284 N HA -0.265 4.466 4.740 -0.015 0.000 0.255 284 N C -1.269 174.486 175.510 0.408 0.000 1.008 284 N CA 0.602 53.824 53.050 0.286 0.000 0.742 284 N CB -0.819 37.798 38.487 0.217 0.000 0.906 284 N HN 0.347 nan 8.380 nan 0.000 0.541 285 F N 0.707 120.769 119.950 0.187 0.000 2.622 285 F HA 0.421 4.939 4.527 -0.016 0.000 0.318 285 F C -1.337 174.553 175.800 0.150 0.000 1.135 285 F CA -1.086 57.004 58.000 0.149 0.000 1.015 285 F CB 0.953 40.008 39.000 0.092 0.000 1.275 285 F HN -0.003 nan 8.300 nan 0.000 0.457 286 F N 5.619 125.132 119.950 -0.729 0.000 2.394 286 F HA 0.529 5.047 4.527 -0.015 0.000 0.340 286 F C -0.498 174.832 175.800 -0.782 0.000 1.105 286 F CA -0.103 57.530 58.000 -0.613 0.000 1.124 286 F CB 0.828 39.524 39.000 -0.506 0.000 1.145 286 F HN 0.591 nan 8.300 nan 0.000 0.505 287 E N 3.521 123.027 120.200 -1.158 0.000 2.218 287 E HA 0.306 4.647 4.350 -0.015 0.000 0.263 287 E C -0.363 175.439 176.600 -1.330 0.000 0.879 287 E CA -0.777 55.042 56.400 -0.969 0.000 0.762 287 E CB 1.605 31.120 29.700 -0.307 0.000 1.166 287 E HN 0.900 nan 8.360 nan 0.000 0.415 288 G N 4.881 112.946 108.800 -1.225 0.000 3.541 288 G HA2 0.056 4.007 3.960 -0.015 0.000 0.253 288 G HA3 0.056 4.007 3.960 -0.015 0.000 0.253 288 G C -0.063 174.789 174.900 -0.079 0.000 1.017 288 G CA -0.184 44.408 45.100 -0.847 0.000 1.832 288 G HN 0.151 nan 8.290 nan 0.000 0.649 289 K N 0.389 120.794 120.400 0.007 0.000 2.130 289 K HA 0.202 4.513 4.320 -0.015 0.000 0.268 289 K C 0.881 177.625 176.600 0.240 0.000 0.983 289 K CA -0.643 55.725 56.287 0.135 0.000 0.893 289 K CB 2.325 34.884 32.500 0.099 0.000 1.066 289 K HN 0.385 nan 8.250 nan 0.000 0.450 290 E N 1.686 121.988 120.200 0.169 0.000 2.077 290 E HA -0.198 4.143 4.350 -0.015 0.000 0.193 290 E C 1.558 178.190 176.600 0.052 0.000 0.989 290 E CA 0.922 57.370 56.400 0.081 0.000 0.800 290 E CB 0.168 29.916 29.700 0.080 0.000 0.746 290 E HN 0.404 nan 8.360 nan 0.000 0.452 291 L N 1.438 122.739 121.223 0.130 0.000 2.043 291 L HA -0.207 4.124 4.340 -0.015 0.000 0.212 291 L C 2.471 179.463 176.870 0.204 0.000 1.075 291 L CA 1.865 56.807 54.840 0.170 0.000 0.752 291 L CB -0.536 41.686 42.059 0.271 0.000 0.891 291 L HN 0.015 nan 8.230 nan 0.000 0.432 292 R N -0.651 119.934 120.500 0.141 0.000 2.081 292 R HA -0.169 4.162 4.340 -0.015 0.000 0.235 292 R C 2.120 178.484 176.300 0.106 0.000 1.131 292 R CA 1.919 58.031 56.100 0.020 0.000 0.960 292 R CB -1.043 29.050 30.300 -0.345 0.000 0.856 292 R HN 0.414 nan 8.270 nan 0.000 0.436 293 L N 0.922 122.109 121.223 -0.061 0.000 2.083 293 L HA -0.073 4.258 4.340 -0.015 0.000 0.209 293 L C 1.704 178.536 176.870 -0.065 0.000 1.083 293 L CA 1.905 56.517 54.840 -0.379 0.000 0.752 293 L CB -0.440 41.066 42.059 -0.921 0.000 0.899 293 L HN 0.162 nan 8.230 nan 0.000 0.433 294 K N -1.006 119.403 120.400 0.014 0.000 2.097 294 K HA -0.199 4.112 4.320 -0.015 0.000 0.206 294 K C 2.078 178.866 176.600 0.314 0.000 1.049 294 K CA 1.750 58.125 56.287 0.148 0.000 0.933 294 K CB -0.160 32.242 32.500 -0.162 0.000 0.717 294 K HN 0.523 nan 8.250 nan 0.000 0.442 295 Q N 0.552 120.498 119.800 0.244 0.000 2.079 295 Q HA -0.176 4.155 4.340 -0.015 0.000 0.200 295 Q C 1.953 178.167 176.000 0.356 0.000 0.974 295 Q CA 1.359 57.357 55.803 0.324 0.000 0.840 295 Q CB -0.010 28.939 28.738 0.352 0.000 0.898 295 Q HN 0.383 nan 8.270 nan 0.000 0.430 296 E N -0.107 120.256 120.200 0.272 0.000 2.077 296 E HA -0.215 4.126 4.350 -0.015 0.000 0.193 296 E C 1.748 178.471 176.600 0.204 0.000 0.989 296 E CA 1.081 57.620 56.400 0.232 0.000 0.800 296 E CB -0.132 29.681 29.700 0.188 0.000 0.746 296 E HN 0.319 nan 8.360 nan 0.000 0.452 297 Y N 0.367 120.721 120.300 0.090 0.000 2.220 297 Y HA -0.206 4.334 4.550 -0.015 0.000 0.291 297 Y C 1.972 177.905 175.900 0.054 0.000 1.129 297 Y CA 1.070 59.173 58.100 0.004 0.000 1.161 297 Y CB -0.381 38.037 38.460 -0.070 0.000 0.997 297 Y HN 0.017 nan 8.280 nan 0.000 0.522 298 F N -0.263 119.688 119.950 0.001 0.000 2.065 298 F HA -0.270 4.247 4.527 -0.015 0.000 0.298 298 F C 2.474 178.131 175.800 -0.238 0.000 1.112 298 F CA 2.126 60.077 58.000 -0.081 0.000 1.212 298 F CB -1.061 38.045 39.000 0.178 0.000 0.975 298 F HN -0.054 nan 8.300 nan 0.000 0.476 299 V N -0.523 119.344 119.914 -0.077 0.000 2.427 299 V HA -0.180 3.931 4.120 -0.015 0.000 0.248 299 V C 2.162 178.112 176.094 -0.240 0.000 1.051 299 V CA 1.805 64.029 62.300 -0.128 0.000 1.048 299 V CB -0.316 31.648 31.823 0.234 0.000 0.666 299 V HN 0.271 nan 8.190 nan 0.000 0.456 300 V N 0.395 120.171 119.914 -0.231 0.000 2.307 300 V HA -0.157 3.954 4.120 -0.015 0.000 0.245 300 V C 2.786 178.627 176.094 -0.422 0.000 1.045 300 V CA 2.113 64.265 62.300 -0.248 0.000 1.024 300 V CB -0.943 30.795 31.823 -0.142 0.000 0.651 300 V HN 0.637 nan 8.190 nan 0.000 0.449 301 A N -0.284 122.112 122.820 -0.707 0.000 1.898 301 A HA -0.039 4.272 4.320 -0.015 0.000 0.216 301 A C 2.382 179.597 177.584 -0.615 0.000 1.181 301 A CA 1.907 53.526 52.037 -0.697 0.000 0.620 301 A CB -0.721 17.655 19.000 -1.040 0.000 0.819 301 A HN 0.548 nan 8.150 nan 0.000 0.442 302 A N -0.960 121.334 122.820 -0.877 0.000 1.898 302 A HA -0.049 4.262 4.320 -0.015 0.000 0.216 302 A C 2.308 179.409 177.584 -0.806 0.000 1.181 302 A CA 2.229 53.560 52.037 -1.176 0.000 0.620 302 A CB -1.220 16.413 19.000 -2.277 0.000 0.819 302 A HN 0.416 nan 8.150 nan 0.000 0.442 303 T N 0.513 114.739 114.554 -0.547 0.000 2.708 303 T HA -0.079 4.262 4.350 -0.015 0.000 0.266 303 T C 1.838 176.282 174.700 -0.427 0.000 1.037 303 T CA 1.394 63.292 62.100 -0.337 0.000 1.146 303 T CB -0.382 68.285 68.868 -0.336 0.000 0.865 303 T HN 0.331 nan 8.240 nan 0.000 0.435 304 L N 0.722 121.735 121.223 -0.349 0.000 2.083 304 L HA -0.170 4.160 4.340 -0.015 0.000 0.209 304 L C 2.933 179.689 176.870 -0.191 0.000 1.083 304 L CA 1.456 56.139 54.840 -0.261 0.000 0.752 304 L CB -0.545 41.400 42.059 -0.191 0.000 0.899 304 L HN 0.370 nan 8.230 nan 0.000 0.433 305 Q N -0.511 119.175 119.800 -0.189 0.000 2.084 305 Q HA -0.260 4.070 4.340 -0.015 0.000 0.202 305 Q C 1.800 177.765 176.000 -0.058 0.000 0.978 305 Q CA 1.863 57.602 55.803 -0.106 0.000 0.844 305 Q CB -0.101 28.562 28.738 -0.126 0.000 0.898 305 Q HN 0.400 nan 8.270 nan 0.000 0.426 306 D N 0.389 120.746 120.400 -0.071 0.000 2.117 306 D HA -0.106 4.524 4.640 -0.015 0.000 0.197 306 D C 1.640 177.881 176.300 -0.098 0.000 0.987 306 D CA 0.863 54.870 54.000 0.011 0.000 0.829 306 D CB -0.009 40.917 40.800 0.211 0.000 0.961 306 D HN 0.160 nan 8.370 nan 0.000 0.460 307 I N 0.041 120.441 120.570 -0.284 0.000 2.179 307 I HA -0.237 3.924 4.170 -0.015 0.000 0.242 307 I C 2.306 178.407 176.117 -0.028 0.000 1.088 307 I CA 0.747 61.808 61.300 -0.399 0.000 1.357 307 I CB -0.133 37.470 38.000 -0.663 0.000 1.051 307 I HN 0.061 nan 8.210 nan 0.000 0.409 308 I N 0.280 120.899 120.570 0.082 0.000 2.179 308 I HA -0.310 3.851 4.170 -0.015 0.000 0.242 308 I C 2.766 179.036 176.117 0.256 0.000 1.088 308 I CA 1.274 62.740 61.300 0.277 0.000 1.357 308 I CB -0.366 37.758 38.000 0.206 0.000 1.051 308 I HN 0.170 nan 8.210 nan 0.000 0.409 309 R N 1.117 121.699 120.500 0.136 0.000 2.103 309 R HA -0.240 4.091 4.340 -0.015 0.000 0.242 309 R C 2.466 178.830 176.300 0.105 0.000 1.142 309 R CA 1.803 57.968 56.100 0.109 0.000 0.960 309 R CB -0.294 30.048 30.300 0.069 0.000 0.858 309 R HN 0.185 nan 8.270 nan 0.000 0.439 310 R N -0.798 119.759 120.500 0.094 0.000 2.092 310 R HA -0.156 4.175 4.340 -0.015 0.000 0.231 310 R C 2.101 178.486 176.300 0.142 0.000 1.119 310 R CA 1.644 57.803 56.100 0.098 0.000 0.970 310 R CB -0.377 29.965 30.300 0.069 0.000 0.864 310 R HN 0.320 nan 8.270 nan 0.000 0.440 311 F N 1.555 121.530 119.950 0.041 0.000 2.134 311 F HA -0.146 4.372 4.527 -0.016 0.000 0.299 311 F C 1.694 177.513 175.800 0.031 0.000 1.097 311 F CA 1.630 59.649 58.000 0.032 0.000 1.264 311 F CB 0.027 39.084 39.000 0.095 0.000 1.001 311 F HN -0.115 nan 8.300 nan 0.000 0.479 312 K N -0.418 119.976 120.400 -0.010 0.000 2.097 312 K HA -0.014 4.297 4.320 -0.015 0.000 0.205 312 K C 1.284 177.824 176.600 -0.100 0.000 1.050 312 K CA 1.288 57.503 56.287 -0.120 0.000 0.938 312 K CB -0.280 32.248 32.500 0.046 0.000 0.718 312 K HN 0.092 nan 8.250 nan 0.000 0.442 313 S N 1.630 117.323 115.700 -0.012 0.000 2.699 313 S HA 0.065 4.526 4.470 -0.015 0.000 0.251 313 S C -0.038 174.604 174.600 0.071 0.000 1.179 313 S CA -0.506 57.719 58.200 0.042 0.000 1.200 313 S CB 0.007 63.258 63.200 0.085 0.000 0.848 313 S HN 0.260 nan 8.310 nan 0.000 0.472 314 S N 0.390 116.060 115.700 -0.051 0.000 2.766 314 S HA 0.502 4.962 4.470 -0.015 0.000 0.307 314 S C 0.694 175.190 174.600 -0.174 0.000 1.121 314 S CA -0.946 57.190 58.200 -0.107 0.000 0.980 314 S CB 1.414 64.541 63.200 -0.123 0.000 1.159 314 S HN 0.211 nan 8.310 nan 0.000 0.546 315 K N -0.861 119.385 120.400 -0.257 0.000 2.296 315 K HA 0.056 4.367 4.320 -0.015 0.000 0.200 315 K C 1.381 177.919 176.600 -0.103 0.000 1.048 315 K CA 0.524 56.679 56.287 -0.221 0.000 0.966 315 K CB -0.219 32.114 32.500 -0.278 0.000 0.754 315 K HN 0.628 nan 8.250 nan 0.000 0.466 316 F N 0.471 120.294 119.950 -0.212 0.000 2.049 316 F HA 0.125 4.643 4.527 -0.015 0.000 0.288 316 F C 1.240 176.917 175.800 -0.205 0.000 1.141 316 F CA 1.400 59.289 58.000 -0.184 0.000 1.165 316 F CB -0.514 38.376 39.000 -0.182 0.000 1.012 316 F HN -0.063 nan 8.300 nan 0.000 0.475 325 N N 0.628 119.339 118.700 0.018 0.000 2.500 325 N HA 0.343 5.074 4.740 -0.015 0.000 0.236 325 N C -0.636 174.965 175.510 0.152 0.000 1.022 325 N CA -0.185 52.940 53.050 0.124 0.000 0.935 325 N CB 0.348 38.927 38.487 0.153 0.000 1.147 325 N HN 0.110 nan 8.380 nan 0.000 0.512 326 F N 1.308 121.383 119.950 0.208 0.000 2.797 326 F HA 0.097 4.615 4.527 -0.015 0.000 0.302 326 F C 1.825 177.686 175.800 0.101 0.000 1.130 326 F CA -0.049 58.019 58.000 0.113 0.000 1.387 326 F CB 0.302 39.250 39.000 -0.086 0.000 1.107 326 F HN 0.476 nan 8.300 nan 0.000 0.577 327 D N 0.360 120.911 120.400 0.251 0.000 2.144 327 D HA -0.151 4.480 4.640 -0.015 0.000 0.199 327 D C 2.234 178.634 176.300 0.166 0.000 0.984 327 D CA 1.365 55.472 54.000 0.178 0.000 0.834 327 D CB 0.002 40.893 40.800 0.152 0.000 0.955 327 D HN 0.321 nan 8.370 nan 0.000 0.465 328 A N 0.062 123.014 122.820 0.220 0.000 2.178 328 A HA 0.007 4.318 4.320 -0.015 0.000 0.211 328 A C 1.769 179.401 177.584 0.080 0.000 1.157 328 A CA -0.146 51.974 52.037 0.138 0.000 0.780 328 A CB -0.657 18.443 19.000 0.167 0.000 0.828 328 A HN 0.126 nan 8.150 nan 0.000 0.476 329 F N 1.810 121.687 119.950 -0.121 0.000 2.045 329 F HA -0.204 4.314 4.527 -0.015 0.000 0.297 329 F C -0.715 174.948 175.800 -0.228 0.000 1.114 329 F CA 2.877 60.610 58.000 -0.445 0.000 1.207 329 F CB -0.717 38.029 39.000 -0.425 0.000 0.964 329 F HN 0.206 nan 8.300 nan 0.000 0.486 330 P HA -0.103 nan 4.420 nan 0.000 0.222 330 P C 0.747 177.970 177.300 -0.129 0.000 1.147 330 P CA 1.569 64.619 63.100 -0.084 0.000 0.790 330 P CB -0.087 31.595 31.700 -0.030 0.000 0.780 331 D N -0.833 119.492 120.400 -0.126 0.000 2.277 331 D HA -0.044 4.587 4.640 -0.015 0.000 0.208 331 D C 1.547 177.737 176.300 -0.184 0.000 0.962 331 D CA 0.915 54.832 54.000 -0.138 0.000 0.865 331 D CB 0.055 40.770 40.800 -0.142 0.000 0.939 331 D HN 0.144 nan 8.370 nan 0.000 0.510 332 K N 0.059 120.323 120.400 -0.228 0.000 2.367 332 K HA 0.199 4.509 4.320 -0.015 0.000 0.195 332 K C 0.032 176.490 176.600 -0.235 0.000 1.060 332 K CA 0.109 56.271 56.287 -0.208 0.000 1.022 332 K CB 2.032 34.483 32.500 -0.082 0.000 0.894 332 K HN -0.045 nan 8.250 nan 0.000 0.540 333 V N 1.040 120.743 119.914 -0.351 0.000 2.623 333 V HA 0.577 4.688 4.120 -0.015 0.000 0.304 333 V C -1.010 174.973 176.094 -0.185 0.000 1.054 333 V CA -1.332 60.773 62.300 -0.323 0.000 0.882 333 V CB 1.748 33.106 31.823 -0.775 0.000 1.002 333 V HN 0.098 nan 8.190 nan 0.000 0.424 334 A N 5.801 128.560 122.820 -0.102 0.000 2.331 334 A HA 0.933 5.244 4.320 -0.015 0.000 0.320 334 A C -0.866 176.732 177.584 0.023 0.000 1.138 334 A CA -0.516 51.500 52.037 -0.035 0.000 0.790 334 A CB 0.929 19.863 19.000 -0.109 0.000 1.206 334 A HN 0.782 nan 8.150 nan 0.000 0.470 335 I N 1.871 122.503 120.570 0.105 0.000 2.382 335 I HA 0.283 4.444 4.170 -0.015 0.000 0.286 335 I C -0.333 175.881 176.117 0.161 0.000 1.002 335 I CA -0.536 60.842 61.300 0.130 0.000 1.135 335 I CB 1.888 39.946 38.000 0.096 0.000 1.288 335 I HN 0.692 nan 8.210 nan 0.000 0.448 336 Q N 6.790 126.686 119.800 0.160 0.000 2.314 336 Q HA 0.515 4.845 4.340 -0.015 0.000 0.259 336 Q C -1.330 174.688 176.000 0.031 0.000 0.951 336 Q CA -0.244 55.690 55.803 0.218 0.000 0.909 336 Q CB 1.342 30.334 28.738 0.423 0.000 1.236 336 Q HN 0.571 nan 8.270 nan 0.000 0.444 337 L N 3.799 125.072 121.223 0.083 0.000 2.255 337 L HA 0.414 4.744 4.340 -0.015 0.000 0.289 337 L C -0.007 176.888 176.870 0.042 0.000 1.046 337 L CA -0.789 54.084 54.840 0.054 0.000 0.816 337 L CB 0.717 42.858 42.059 0.137 0.000 1.197 337 L HN 0.558 nan 8.230 nan 0.000 0.427 338 N N 4.516 123.155 118.700 -0.102 0.000 2.448 338 N HA 0.050 4.781 4.740 -0.015 0.000 0.250 338 N C -0.082 175.451 175.510 0.039 0.000 1.136 338 N CA 0.549 53.588 53.050 -0.018 0.000 0.953 338 N CB -0.061 38.325 38.487 -0.168 0.000 1.251 338 N HN 0.635 nan 8.380 nan 0.000 0.502 339 D N -0.031 120.477 120.400 0.179 0.000 4.160 339 D HA -0.227 4.403 4.640 -0.015 0.000 0.291 339 D C 0.204 176.589 176.300 0.143 0.000 2.226 339 D CA 1.563 55.647 54.000 0.140 0.000 1.157 339 D CB -0.455 40.196 40.800 -0.248 0.000 1.020 339 D HN 0.528 nan 8.370 nan 0.000 1.219 340 T N -2.360 112.205 114.554 0.018 0.000 3.129 340 T HA 0.100 4.441 4.350 -0.015 0.000 0.251 340 T C 1.559 176.308 174.700 0.083 0.000 1.117 340 T CA 1.338 63.431 62.100 -0.011 0.000 1.034 340 T CB -0.487 68.342 68.868 -0.065 0.000 0.968 340 T HN 0.478 nan 8.240 nan 0.000 0.526 341 H N 2.449 121.602 119.070 0.139 0.000 2.387 341 H HA 0.026 4.572 4.556 -0.015 0.000 0.299 341 H C -0.868 174.548 175.328 0.146 0.000 1.090 341 H CA 0.766 56.912 56.048 0.163 0.000 1.332 341 H CB -0.794 29.069 29.762 0.168 0.000 1.386 341 H HN 0.428 nan 8.280 nan 0.000 0.516 342 P HA 0.079 nan 4.420 nan 0.000 0.254 342 P C 0.790 178.134 177.300 0.073 0.000 1.620 342 P CA 0.323 63.502 63.100 0.132 0.000 1.050 342 P CB 0.328 32.094 31.700 0.110 0.000 1.539 343 S N -0.133 115.602 115.700 0.059 0.000 2.440 343 S HA -0.155 4.306 4.470 -0.015 0.000 0.240 343 S C 1.724 176.327 174.600 0.004 0.000 1.014 343 S CA 0.908 59.103 58.200 -0.008 0.000 0.980 343 S CB -1.512 61.656 63.200 -0.053 0.000 0.775 343 S HN 0.161 nan 8.310 nan 0.000 0.499 344 L N 0.996 122.238 121.223 0.032 0.000 2.456 344 L HA 0.061 4.391 4.340 -0.015 0.000 0.224 344 L C 2.921 179.826 176.870 0.059 0.000 1.148 344 L CA 0.593 55.456 54.840 0.038 0.000 0.825 344 L CB -0.722 41.362 42.059 0.040 0.000 0.937 344 L HN 0.468 nan 8.230 nan 0.000 0.450 345 A N 0.589 123.425 122.820 0.026 0.000 1.986 345 A HA -0.217 4.094 4.320 -0.015 0.000 0.220 345 A C 2.175 179.757 177.584 -0.003 0.000 1.171 345 A CA 1.618 53.655 52.037 -0.000 0.000 0.640 345 A CB -0.506 18.487 19.000 -0.012 0.000 0.811 345 A HN 0.379 nan 8.150 nan 0.000 0.451 346 I N 0.229 120.799 120.570 -0.001 0.000 2.090 346 I HA -0.149 4.012 4.170 -0.015 0.000 0.236 346 I C -0.386 175.743 176.117 0.021 0.000 1.064 346 I CA 1.574 62.870 61.300 -0.006 0.000 1.324 346 I CB -1.056 36.942 38.000 -0.004 0.000 1.044 346 I HN 0.229 nan 8.210 nan 0.000 0.399 347 P HA -0.174 nan 4.420 nan 0.000 0.220 347 P C 1.279 178.598 177.300 0.033 0.000 1.148 347 P CA 1.465 64.595 63.100 0.049 0.000 0.803 347 P CB 0.014 31.768 31.700 0.089 0.000 0.782 348 E N 0.208 120.494 120.200 0.143 0.000 2.072 348 E HA -0.158 4.183 4.350 -0.015 0.000 0.191 348 E C 1.900 178.485 176.600 -0.026 0.000 0.985 348 E CA 0.747 57.243 56.400 0.161 0.000 0.801 348 E CB -1.219 28.615 29.700 0.223 0.000 0.750 348 E HN -0.006 nan 8.360 nan 0.000 0.452 349 L N -0.005 121.173 121.223 -0.076 0.000 2.046 349 L HA -0.109 4.222 4.340 -0.015 0.000 0.208 349 L C 2.107 178.833 176.870 -0.241 0.000 1.077 349 L CA 1.770 56.506 54.840 -0.173 0.000 0.747 349 L CB -0.610 41.350 42.059 -0.166 0.000 0.896 349 L HN 0.240 nan 8.230 nan 0.000 0.432 350 M N -0.779 118.693 119.600 -0.213 0.000 2.080 350 M HA -0.240 4.231 4.480 -0.015 0.000 0.260 350 M C 2.442 178.574 176.300 -0.279 0.000 1.068 350 M CA 1.625 56.747 55.300 -0.296 0.000 1.109 350 M CB -1.265 31.145 32.600 -0.316 0.000 1.342 350 M HN 0.331 nan 8.290 nan 0.000 0.405 351 R N -0.027 120.335 120.500 -0.230 0.000 2.083 351 R HA -0.133 4.198 4.340 -0.015 0.000 0.237 351 R C 2.096 178.290 176.300 -0.178 0.000 1.137 351 R CA 1.656 57.623 56.100 -0.222 0.000 0.951 351 R CB -0.167 29.951 30.300 -0.305 0.000 0.851 351 R HN 0.216 nan 8.270 nan 0.000 0.434 352 V N 1.375 121.182 119.914 -0.179 0.000 2.307 352 V HA -0.247 3.864 4.120 -0.015 0.000 0.245 352 V C 2.400 178.328 176.094 -0.277 0.000 1.045 352 V CA 1.690 63.879 62.300 -0.186 0.000 1.024 352 V CB -0.387 31.327 31.823 -0.182 0.000 0.651 352 V HN 0.340 nan 8.190 nan 0.000 0.449 353 L N -0.663 120.333 121.223 -0.379 0.000 2.056 353 L HA -0.132 4.199 4.340 -0.015 0.000 0.207 353 L C 2.410 179.091 176.870 -0.316 0.000 1.078 353 L CA 1.159 55.706 54.840 -0.488 0.000 0.749 353 L CB -0.615 41.112 42.059 -0.554 0.000 0.901 353 L HN 0.202 nan 8.230 nan 0.000 0.433 354 V N -0.519 119.254 119.914 -0.236 0.000 2.331 354 V HA -0.187 3.923 4.120 -0.015 0.000 0.242 354 V C 1.942 177.990 176.094 -0.076 0.000 1.034 354 V CA 1.721 63.944 62.300 -0.127 0.000 1.027 354 V CB -0.329 31.447 31.823 -0.078 0.000 0.667 354 V HN 0.359 nan 8.190 nan 0.000 0.457 355 D N -0.247 120.103 120.400 -0.084 0.000 2.194 355 D HA 0.022 4.653 4.640 -0.015 0.000 0.204 355 D C 1.991 178.262 176.300 -0.048 0.000 0.964 355 D CA 1.055 55.025 54.000 -0.050 0.000 0.846 355 D CB 0.160 40.929 40.800 -0.052 0.000 0.962 355 D HN 0.329 nan 8.370 nan 0.000 0.490 356 L N 0.104 121.282 121.223 -0.075 0.000 2.362 356 L HA 0.135 4.466 4.340 -0.015 0.000 0.204 356 L C 1.788 178.627 176.870 -0.052 0.000 1.060 356 L CA 0.451 55.258 54.840 -0.054 0.000 0.827 356 L CB 0.166 42.193 42.059 -0.053 0.000 1.027 356 L HN -0.197 nan 8.230 nan 0.000 0.474 357 E N 0.208 120.343 120.200 -0.109 0.000 2.447 357 E HA 0.046 4.386 4.350 -0.015 0.000 0.195 357 E C 0.149 176.712 176.600 -0.062 0.000 1.028 357 E CA -0.060 56.282 56.400 -0.096 0.000 0.876 357 E CB 0.425 29.951 29.700 -0.290 0.000 0.885 357 E HN 0.156 nan 8.360 nan 0.000 0.500 358 R N -0.342 120.118 120.500 -0.066 0.000 3.878 358 R HA -0.182 4.149 4.340 -0.015 0.000 0.330 358 R C -0.234 176.052 176.300 -0.023 0.000 1.186 358 R CA 0.238 56.322 56.100 -0.026 0.000 0.885 358 R CB -2.870 27.433 30.300 0.005 0.000 1.377 358 R HN 0.108 nan 8.270 nan 0.000 0.523 359 L N 2.289 123.469 121.223 -0.071 0.000 2.452 359 L HA 0.091 4.422 4.340 -0.015 0.000 0.267 359 L C 1.521 178.383 176.870 -0.014 0.000 1.188 359 L CA 0.486 55.295 54.840 -0.052 0.000 0.821 359 L CB 0.314 42.294 42.059 -0.131 0.000 1.102 359 L HN 0.137 nan 8.230 nan 0.000 0.470 360 D N 1.104 121.522 120.400 0.029 0.000 2.357 360 D HA -0.134 4.497 4.640 -0.015 0.000 0.242 360 D C 0.944 177.312 176.300 0.114 0.000 1.153 360 D CA -0.542 53.509 54.000 0.085 0.000 0.918 360 D CB 0.690 41.547 40.800 0.094 0.000 1.181 360 D HN 0.624 nan 8.370 nan 0.000 0.435 361 W N 1.987 123.289 121.300 0.003 0.000 2.302 361 W HA -0.243 4.408 4.660 -0.015 0.000 0.320 361 W C 1.034 177.596 176.519 0.071 0.000 1.241 361 W CA 1.968 59.321 57.345 0.013 0.000 1.264 361 W CB -0.313 29.134 29.460 -0.021 0.000 1.154 361 W HN 0.460 nan 8.180 nan 0.000 0.483 362 D N 0.226 120.830 120.400 0.339 0.000 2.178 362 D HA -0.184 4.447 4.640 -0.015 0.000 0.201 362 D C 1.886 178.293 176.300 0.178 0.000 0.980 362 D CA 1.787 55.961 54.000 0.291 0.000 0.842 362 D CB -0.301 40.640 40.800 0.235 0.000 0.948 362 D HN 0.106 nan 8.370 nan 0.000 0.472 363 K N 1.079 121.538 120.400 0.098 0.000 2.076 363 K HA 0.073 4.384 4.320 -0.015 0.000 0.204 363 K C 1.839 178.427 176.600 -0.021 0.000 1.051 363 K CA 1.264 57.580 56.287 0.048 0.000 0.949 363 K CB -0.473 32.052 32.500 0.042 0.000 0.726 363 K HN -0.033 nan 8.250 nan 0.000 0.443 364 A N 0.728 123.491 122.820 -0.095 0.000 1.908 364 A HA -0.194 4.117 4.320 -0.015 0.000 0.218 364 A C 2.218 179.698 177.584 -0.174 0.000 1.181 364 A CA 1.551 53.461 52.037 -0.212 0.000 0.627 364 A CB -1.169 17.640 19.000 -0.317 0.000 0.818 364 A HN 0.708 nan 8.150 nan 0.000 0.445 365 W N 0.600 121.693 121.300 -0.344 0.000 2.409 365 W HA -0.130 4.521 4.660 -0.015 0.000 0.299 365 W C 1.942 178.399 176.519 -0.102 0.000 1.203 365 W CA 1.653 58.839 57.345 -0.266 0.000 1.298 365 W CB -0.125 29.201 29.460 -0.224 0.000 1.127 365 W HN 0.615 nan 8.180 nan 0.000 0.528 366 E N 0.270 120.445 120.200 -0.041 0.000 2.077 366 E HA -0.213 4.128 4.350 -0.015 0.000 0.193 366 E C 2.030 178.544 176.600 -0.142 0.000 0.989 366 E CA 1.796 58.140 56.400 -0.093 0.000 0.800 366 E CB -0.270 29.443 29.700 0.022 0.000 0.746 366 E HN 0.062 nan 8.360 nan 0.000 0.452 367 V N 0.784 120.629 119.914 -0.115 0.000 2.343 367 V HA -0.241 3.870 4.120 -0.015 0.000 0.247 367 V C 2.389 178.407 176.094 -0.126 0.000 1.051 367 V CA 2.145 64.393 62.300 -0.087 0.000 1.036 367 V CB -0.727 31.039 31.823 -0.095 0.000 0.654 367 V HN 0.377 nan 8.190 nan 0.000 0.451 368 T N -0.035 114.373 114.554 -0.243 0.000 2.708 368 T HA -0.170 4.170 4.350 -0.015 0.000 0.266 368 T C 1.956 176.476 174.700 -0.299 0.000 1.037 368 T CA 1.725 63.660 62.100 -0.275 0.000 1.146 368 T CB -0.266 68.391 68.868 -0.353 0.000 0.865 368 T HN 0.269 nan 8.240 nan 0.000 0.435 369 V N 1.293 120.918 119.914 -0.483 0.000 2.407 369 V HA -0.142 3.969 4.120 -0.015 0.000 0.248 369 V C 2.345 178.381 176.094 -0.097 0.000 1.055 369 V CA 1.593 63.666 62.300 -0.378 0.000 1.049 369 V CB -0.443 31.074 31.823 -0.511 0.000 0.662 369 V HN 0.449 nan 8.190 nan 0.000 0.455 370 K N -0.713 119.612 120.400 -0.125 0.000 2.366 370 K HA -0.054 4.257 4.320 -0.015 0.000 0.198 370 K C 2.058 178.597 176.600 -0.102 0.000 1.044 370 K CA 1.295 57.488 56.287 -0.157 0.000 0.973 370 K CB -0.087 32.328 32.500 -0.140 0.000 0.767 370 K HN 0.454 nan 8.250 nan 0.000 0.475 371 T N 0.161 114.721 114.554 0.010 0.000 2.976 371 T HA 0.025 4.366 4.350 -0.015 0.000 0.257 371 T C 0.885 175.678 174.700 0.154 0.000 1.051 371 T CA 0.392 62.539 62.100 0.079 0.000 1.141 371 T CB 0.133 69.097 68.868 0.159 0.000 0.881 371 T HN 0.158 nan 8.240 nan 0.000 0.461 372 C N 2.230 121.614 119.300 0.139 0.000 2.370 372 C HA 0.889 5.340 4.460 -0.015 0.000 0.354 372 C C 0.532 175.614 174.990 0.153 0.000 1.218 372 C CA -1.186 57.908 59.018 0.127 0.000 2.154 372 C CB 0.258 28.010 27.740 0.020 0.000 2.391 372 C HN 0.591 nan 8.230 nan 0.000 0.540 373 A N 1.872 124.772 122.820 0.132 0.000 2.515 373 A HA 0.743 5.054 4.320 -0.015 0.000 0.298 373 A C -1.597 176.073 177.584 0.143 0.000 1.059 373 A CA -0.407 51.660 52.037 0.049 0.000 0.698 373 A CB 1.015 20.051 19.000 0.059 0.000 1.289 373 A HN 0.940 nan 8.150 nan 0.000 0.404 374 Y N 1.144 121.401 120.300 -0.073 0.000 2.376 374 Y HA 0.647 5.188 4.550 -0.015 0.000 0.340 374 Y C -0.513 175.367 175.900 -0.034 0.000 0.965 374 Y CA -0.304 57.759 58.100 -0.061 0.000 1.078 374 Y CB 2.080 40.458 38.460 -0.138 0.000 1.193 374 Y HN 0.569 nan 8.280 nan 0.000 0.452 375 T N 6.583 120.876 114.554 -0.436 0.000 2.770 375 T HA 0.189 4.529 4.350 -0.015 0.000 0.283 375 T C -0.838 173.391 174.700 -0.785 0.000 0.988 375 T CA -0.809 60.999 62.100 -0.486 0.000 0.957 375 T CB 0.406 69.235 68.868 -0.066 0.000 0.930 375 T HN 0.645 nan 8.240 nan 0.000 0.443 376 N N 1.780 120.027 118.700 -0.755 0.000 2.473 376 N HA 0.147 4.878 4.740 -0.015 0.000 0.291 376 N C 0.091 175.487 175.510 -0.190 0.000 1.083 376 N CA -0.308 52.525 53.050 -0.363 0.000 0.951 376 N CB 0.869 39.313 38.487 -0.072 0.000 1.164 376 N HN 0.642 nan 8.380 nan 0.000 0.480 377 H N 0.877 119.971 119.070 0.039 0.000 2.986 377 H HA 0.162 4.709 4.556 -0.016 0.000 0.267 377 H C -0.179 175.070 175.328 -0.131 0.000 1.072 377 H CA 0.171 56.194 56.048 -0.042 0.000 1.202 377 H CB 1.166 30.913 29.762 -0.026 0.000 1.535 377 H HN 0.539 nan 8.280 nan 0.000 0.522 378 T N 0.102 114.688 114.554 0.054 0.000 2.886 378 T HA 0.238 4.579 4.350 -0.015 0.000 0.330 378 T C 0.575 175.304 174.700 0.049 0.000 1.488 378 T CA -0.349 61.735 62.100 -0.027 0.000 1.054 378 T CB 1.291 70.137 68.868 -0.037 0.000 1.348 378 T HN -0.054 nan 8.240 nan 0.000 0.489 379 V N 1.897 121.802 119.914 -0.014 0.000 3.643 379 V HA 0.540 4.651 4.120 -0.015 0.000 0.280 379 V C 0.859 176.917 176.094 -0.059 0.000 1.351 379 V CA 0.023 62.301 62.300 -0.036 0.000 1.073 379 V CB -0.498 31.302 31.823 -0.037 0.000 0.863 379 V HN 0.711 nan 8.190 nan 0.000 0.436 380 L N 3.014 124.192 121.223 -0.075 0.000 2.534 380 L HA 0.170 4.501 4.340 -0.015 0.000 0.271 380 L C -0.581 176.292 176.870 0.005 0.000 1.178 380 L CA -0.875 53.944 54.840 -0.036 0.000 0.907 380 L CB 0.750 42.767 42.059 -0.069 0.000 1.164 380 L HN 0.156 nan 8.230 nan 0.000 0.482 381 P HA -0.205 nan 4.420 nan 0.000 0.216 381 P C 0.982 178.292 177.300 0.018 0.000 1.150 381 P CA 1.212 64.317 63.100 0.009 0.000 0.837 381 P CB 0.042 31.752 31.700 0.016 0.000 0.786 382 E N 0.291 120.533 120.200 0.069 0.000 2.478 382 E HA -0.039 4.302 4.350 -0.015 0.000 0.198 382 E C 1.580 178.185 176.600 0.009 0.000 1.046 382 E CA 0.979 57.419 56.400 0.066 0.000 0.870 382 E CB -0.702 29.136 29.700 0.229 0.000 0.818 382 E HN 0.192 nan 8.360 nan 0.000 0.527 383 A N 1.292 124.143 122.820 0.052 0.000 2.147 383 A HA 0.216 4.527 4.320 -0.015 0.000 0.211 383 A C 1.361 178.941 177.584 -0.007 0.000 1.160 383 A CA -0.271 51.804 52.037 0.063 0.000 0.781 383 A CB -0.038 19.021 19.000 0.098 0.000 0.842 383 A HN 0.149 nan 8.150 nan 0.000 0.475 384 L N 1.646 122.825 121.223 -0.074 0.000 2.410 384 L HA 0.122 4.453 4.340 -0.015 0.000 0.273 384 L C -0.128 176.435 176.870 -0.512 0.000 1.152 384 L CA 0.022 54.754 54.840 -0.179 0.000 0.855 384 L CB 0.420 42.404 42.059 -0.125 0.000 1.129 384 L HN 0.372 nan 8.230 nan 0.000 0.463 385 E N 4.366 124.154 120.200 -0.687 0.000 2.180 385 E HA 0.220 4.561 4.350 -0.015 0.000 0.283 385 E C -0.529 175.443 176.600 -1.046 0.000 1.061 385 E CA -0.141 55.398 56.400 -1.435 0.000 0.861 385 E CB 0.708 29.905 29.700 -0.837 0.000 1.056 385 E HN 0.396 nan 8.360 nan 0.000 0.407 386 R N 3.714 123.472 120.500 -1.237 0.000 2.487 386 R HA 0.188 4.519 4.340 -0.015 0.000 0.288 386 R C -1.303 174.838 176.300 -0.264 0.000 1.394 386 R CA -0.532 55.277 56.100 -0.484 0.000 1.155 386 R CB 0.813 30.957 30.300 -0.259 0.000 1.156 386 R HN 0.452 nan 8.270 nan 0.000 0.553 387 W N 4.434 125.689 121.300 -0.075 0.000 2.311 387 W HA 0.278 4.929 4.660 -0.015 0.000 0.310 387 W C -1.884 174.616 176.519 -0.030 0.000 1.274 387 W CA -2.168 55.193 57.345 0.026 0.000 1.215 387 W CB 0.785 30.236 29.460 -0.016 0.000 1.227 387 W HN 0.243 nan 8.180 nan 0.000 0.523 388 P HA -0.107 nan 4.420 nan 0.000 0.262 388 P C 0.842 178.095 177.300 -0.078 0.000 1.182 388 P CA 0.297 63.389 63.100 -0.013 0.000 0.761 388 P CB 0.706 32.241 31.700 -0.274 0.000 0.795 389 V N 3.409 123.328 119.914 0.009 0.000 2.380 389 V HA -0.291 3.820 4.120 -0.015 0.000 0.251 389 V C 2.134 178.239 176.094 0.018 0.000 1.063 389 V CA 2.598 64.919 62.300 0.035 0.000 1.055 389 V CB -1.637 30.267 31.823 0.136 0.000 0.657 389 V HN 0.766 nan 8.190 nan 0.000 0.455 390 H N -1.218 117.910 119.070 0.097 0.000 2.457 390 H HA -0.059 4.488 4.556 -0.015 0.000 0.294 390 H C 2.004 177.379 175.328 0.078 0.000 1.064 390 H CA 1.528 57.628 56.048 0.085 0.000 1.330 390 H CB -0.589 29.225 29.762 0.086 0.000 1.395 390 H HN 0.350 nan 8.280 nan 0.000 0.541 391 L N 0.037 121.085 121.223 -0.291 0.000 2.017 391 L HA -0.116 4.214 4.340 -0.015 0.000 0.208 391 L C 2.358 179.172 176.870 -0.092 0.000 1.073 391 L CA 1.176 55.951 54.840 -0.109 0.000 0.745 391 L CB -0.291 41.699 42.059 -0.115 0.000 0.894 391 L HN 0.335 nan 8.230 nan 0.000 0.432 392 L N -0.760 120.389 121.223 -0.123 0.000 2.156 392 L HA -0.181 4.149 4.340 -0.015 0.000 0.208 392 L C 2.508 179.311 176.870 -0.111 0.000 1.095 392 L CA 0.851 55.592 54.840 -0.164 0.000 0.770 392 L CB -0.394 41.556 42.059 -0.182 0.000 0.914 392 L HN 0.303 nan 8.230 nan 0.000 0.439 393 E N -0.206 119.973 120.200 -0.035 0.000 2.085 393 E HA -0.221 4.120 4.350 -0.015 0.000 0.194 393 E C 1.904 178.536 176.600 0.053 0.000 0.994 393 E CA 1.975 58.386 56.400 0.019 0.000 0.801 393 E CB 0.145 29.897 29.700 0.086 0.000 0.743 393 E HN 0.432 nan 8.360 nan 0.000 0.453 394 T N 0.788 115.395 114.554 0.089 0.000 2.809 394 T HA -0.083 4.257 4.350 -0.015 0.000 0.260 394 T C 1.764 176.559 174.700 0.158 0.000 1.039 394 T CA 0.717 62.920 62.100 0.172 0.000 1.141 394 T CB -0.147 68.856 68.868 0.225 0.000 0.869 394 T HN 0.065 nan 8.240 nan 0.000 0.437 395 L N 0.052 121.267 121.223 -0.014 0.000 2.095 395 L HA 0.321 4.652 4.340 -0.015 0.000 0.204 395 L C 0.428 177.222 176.870 -0.127 0.000 1.080 395 L CA 1.606 56.319 54.840 -0.212 0.000 0.759 395 L CB 0.011 41.919 42.059 -0.253 0.000 0.914 395 L HN 0.178 nan 8.230 nan 0.000 0.439 396 L N 0.628 121.739 121.223 -0.187 0.000 2.551 396 L HA 0.291 4.622 4.340 -0.015 0.000 0.248 396 L C -1.706 174.969 176.870 -0.325 0.000 1.509 396 L CA -0.955 53.684 54.840 -0.335 0.000 0.842 396 L CB 0.862 42.573 42.059 -0.580 0.000 1.087 396 L HN -0.042 nan 8.230 nan 0.000 0.512 397 P HA -0.189 nan 4.420 nan 0.000 0.216 397 P C 1.456 178.556 177.300 -0.333 0.000 1.150 397 P CA 1.092 64.064 63.100 -0.213 0.000 0.837 397 P CB 0.398 32.049 31.700 -0.080 0.000 0.786 398 R N -0.057 120.058 120.500 -0.642 0.000 2.092 398 R HA -0.132 4.199 4.340 -0.015 0.000 0.231 398 R C 2.282 178.275 176.300 -0.512 0.000 1.119 398 R CA 1.660 57.390 56.100 -0.617 0.000 0.970 398 R CB -1.665 28.096 30.300 -0.898 0.000 0.864 398 R HN 0.245 nan 8.270 nan 0.000 0.440 399 H N -0.378 118.375 119.070 -0.529 0.000 2.423 399 H HA -0.024 4.523 4.556 -0.015 0.000 0.297 399 H C 1.778 176.928 175.328 -0.297 0.000 1.075 399 H CA 1.521 57.346 56.048 -0.372 0.000 1.342 399 H CB -0.087 29.422 29.762 -0.421 0.000 1.395 399 H HN 0.081 nan 8.280 nan 0.000 0.530 400 L N 0.482 121.572 121.223 -0.221 0.000 2.046 400 L HA -0.245 4.086 4.340 -0.015 0.000 0.208 400 L C 1.870 178.519 176.870 -0.368 0.000 1.077 400 L CA 1.588 56.222 54.840 -0.343 0.000 0.747 400 L CB -0.280 41.589 42.059 -0.317 0.000 0.896 400 L HN 0.445 nan 8.230 nan 0.000 0.432 401 Q N -0.294 119.408 119.800 -0.165 0.000 2.084 401 Q HA -0.237 4.094 4.340 -0.015 0.000 0.202 401 Q C 2.167 178.178 176.000 0.018 0.000 0.978 401 Q CA 1.663 57.464 55.803 -0.004 0.000 0.844 401 Q CB -0.112 28.636 28.738 0.016 0.000 0.898 401 Q HN 0.541 nan 8.270 nan 0.000 0.426 402 I N 0.377 120.941 120.570 -0.010 0.000 2.286 402 I HA -0.272 3.889 4.170 -0.015 0.000 0.248 402 I C 2.109 178.300 176.117 0.123 0.000 1.115 402 I CA 1.014 62.394 61.300 0.133 0.000 1.392 402 I CB -0.128 37.896 38.000 0.041 0.000 1.065 402 I HN 0.201 nan 8.210 nan 0.000 0.418 403 I N -0.582 119.972 120.570 -0.026 0.000 2.252 403 I HA -0.306 3.855 4.170 -0.015 0.000 0.245 403 I C 2.382 178.509 176.117 0.018 0.000 1.102 403 I CA 1.358 62.631 61.300 -0.045 0.000 1.385 403 I CB -0.379 37.528 38.000 -0.156 0.000 1.064 403 I HN 0.142 nan 8.210 nan 0.000 0.414 404 Y N 0.882 121.190 120.300 0.012 0.000 2.181 404 Y HA -0.278 4.262 4.550 -0.015 0.000 0.288 404 Y C 2.610 178.479 175.900 -0.051 0.000 1.146 404 Y CA 1.525 59.618 58.100 -0.011 0.000 1.164 404 Y CB -0.830 37.615 38.460 -0.025 0.000 0.982 404 Y HN 0.189 nan 8.280 nan 0.000 0.515 405 E N 0.362 120.604 120.200 0.071 0.000 2.072 405 E HA -0.136 4.204 4.350 -0.015 0.000 0.191 405 E C 2.090 178.608 176.600 -0.136 0.000 0.985 405 E CA 1.196 57.496 56.400 -0.167 0.000 0.801 405 E CB -0.537 28.903 29.700 -0.432 0.000 0.750 405 E HN 0.472 nan 8.360 nan 0.000 0.452 406 I N 0.654 121.258 120.570 0.057 0.000 2.226 406 I HA -0.288 3.873 4.170 -0.015 0.000 0.245 406 I C 2.250 178.374 176.117 0.010 0.000 1.100 406 I CA 1.359 62.649 61.300 -0.016 0.000 1.374 406 I CB -0.374 37.625 38.000 -0.002 0.000 1.057 406 I HN 0.206 nan 8.210 nan 0.000 0.413 407 N N 0.687 119.440 118.700 0.088 0.000 2.084 407 N HA -0.267 4.464 4.740 -0.015 0.000 0.190 407 N C 1.871 177.468 175.510 0.144 0.000 1.030 407 N CA 1.538 54.688 53.050 0.167 0.000 0.849 407 N CB -0.182 38.421 38.487 0.193 0.000 1.012 407 N HN 0.314 nan 8.380 nan 0.000 0.423 408 Q N 0.158 119.988 119.800 0.049 0.000 2.030 408 Q HA -0.179 4.151 4.340 -0.015 0.000 0.204 408 Q C 1.975 177.958 176.000 -0.029 0.000 0.986 408 Q CA 1.589 57.384 55.803 -0.014 0.000 0.843 408 Q CB -0.048 28.640 28.738 -0.084 0.000 0.904 408 Q HN 0.394 nan 8.270 nan 0.000 0.420 409 R N -0.739 119.721 120.500 -0.068 0.000 2.115 409 R HA -0.111 4.220 4.340 -0.015 0.000 0.230 409 R C 2.171 178.487 176.300 0.026 0.000 1.111 409 R CA 1.277 57.331 56.100 -0.075 0.000 0.976 409 R CB -0.352 29.847 30.300 -0.169 0.000 0.870 409 R HN 0.288 nan 8.270 nan 0.000 0.445 410 F N 1.321 121.240 119.950 -0.052 0.000 2.146 410 F HA -0.074 4.444 4.527 -0.015 0.000 0.298 410 F C 1.765 177.584 175.800 0.031 0.000 1.096 410 F CA 1.281 59.299 58.000 0.030 0.000 1.275 410 F CB -0.073 38.977 39.000 0.083 0.000 1.008 410 F HN -0.115 nan 8.300 nan 0.000 0.480 411 L N -0.011 121.211 121.223 -0.002 0.000 2.201 411 L HA -0.203 4.128 4.340 -0.015 0.000 0.212 411 L C 1.877 178.674 176.870 -0.121 0.000 1.105 411 L CA 1.435 56.217 54.840 -0.096 0.000 0.775 411 L CB -0.847 41.223 42.059 0.018 0.000 0.913 411 L HN 0.237 nan 8.230 nan 0.000 0.440 412 N N -0.203 118.444 118.700 -0.088 0.000 2.244 412 N HA -0.156 4.574 4.740 -0.015 0.000 0.183 412 N C 1.908 177.360 175.510 -0.097 0.000 1.016 412 N CA 0.670 53.672 53.050 -0.080 0.000 0.866 412 N CB 0.020 38.468 38.487 -0.065 0.000 0.980 412 N HN 0.241 nan 8.380 nan 0.000 0.430 413 R N 0.389 120.807 120.500 -0.135 0.000 2.090 413 R HA -0.006 4.325 4.340 -0.015 0.000 0.228 413 R C 2.028 178.225 176.300 -0.172 0.000 1.110 413 R CA 0.679 56.696 56.100 -0.139 0.000 0.973 413 R CB -0.040 30.184 30.300 -0.127 0.000 0.869 413 R HN 0.066 nan 8.270 nan 0.000 0.440 414 V N 0.572 120.329 119.914 -0.261 0.000 2.307 414 V HA -0.193 3.918 4.120 -0.015 0.000 0.245 414 V C 2.356 178.445 176.094 -0.009 0.000 1.045 414 V CA 1.899 64.114 62.300 -0.143 0.000 1.024 414 V CB -0.667 30.994 31.823 -0.271 0.000 0.651 414 V HN 0.395 nan 8.190 nan 0.000 0.449 415 A N 0.187 122.974 122.820 -0.055 0.000 1.940 415 A HA -0.147 4.164 4.320 -0.015 0.000 0.219 415 A C 2.369 179.934 177.584 -0.032 0.000 1.176 415 A CA 2.211 54.233 52.037 -0.025 0.000 0.631 415 A CB -0.725 18.251 19.000 -0.040 0.000 0.814 415 A HN 0.586 nan 8.150 nan 0.000 0.446 416 A N -0.781 122.001 122.820 -0.062 0.000 2.014 416 A HA 0.332 4.642 4.320 -0.015 0.000 0.218 416 A C 2.331 179.837 177.584 -0.130 0.000 1.163 416 A CA 1.665 53.655 52.037 -0.079 0.000 0.652 416 A CB -0.595 18.362 19.000 -0.072 0.000 0.808 416 A HN 0.950 nan 8.150 nan 0.000 0.449 417 A N -1.566 121.144 122.820 -0.184 0.000 1.984 417 A HA 0.415 4.726 4.320 -0.015 0.000 0.214 417 A C 0.402 177.584 177.584 -0.671 0.000 1.173 417 A CA 0.442 52.217 52.037 -0.437 0.000 0.673 417 A CB -0.085 18.602 19.000 -0.522 0.000 0.830 417 A HN 0.397 nan 8.150 nan 0.000 0.453 418 F N 0.426 120.328 119.950 -0.080 0.000 2.531 418 F HA 0.356 4.874 4.527 -0.016 0.000 0.333 418 F C -2.784 172.979 175.800 -0.063 0.000 1.292 418 F CA -2.795 55.163 58.000 -0.071 0.000 1.184 418 F CB 0.958 39.908 39.000 -0.083 0.000 1.426 418 F HN -0.047 nan 8.300 nan 0.000 0.559 419 P HA 0.258 nan 4.420 nan 0.000 0.271 419 P C 0.998 178.317 177.300 0.032 0.000 1.216 419 P CA 0.693 63.804 63.100 0.019 0.000 0.771 419 P CB 1.195 32.887 31.700 -0.013 0.000 0.864 420 G N 2.316 111.127 108.800 0.019 0.000 2.267 420 G HA2 -0.248 3.703 3.960 -0.015 0.000 0.257 420 G HA3 -0.248 3.703 3.960 -0.015 0.000 0.257 420 G C 0.371 175.279 174.900 0.014 0.000 0.998 420 G CA 0.055 45.163 45.100 0.013 0.000 0.620 420 G HN 0.603 nan 8.290 nan 0.000 0.529 421 D N 1.679 122.097 120.400 0.029 0.000 2.498 421 D HA 0.356 4.987 4.640 -0.015 0.000 0.229 421 D C 2.116 178.405 176.300 -0.018 0.000 1.188 421 D CA 0.509 54.513 54.000 0.005 0.000 1.028 421 D CB 0.402 41.206 40.800 0.006 0.000 1.087 421 D HN 0.609 nan 8.370 nan 0.000 0.510 422 V N 0.733 120.637 119.914 -0.015 0.000 2.548 422 V HA -0.124 3.986 4.120 -0.015 0.000 0.249 422 V C 1.827 177.908 176.094 -0.022 0.000 1.055 422 V CA 1.348 63.638 62.300 -0.017 0.000 1.065 422 V CB -0.446 31.371 31.823 -0.010 0.000 0.681 422 V HN 0.215 nan 8.190 nan 0.000 0.462 423 D N 0.393 120.777 120.400 -0.028 0.000 2.178 423 D HA -0.160 4.471 4.640 -0.015 0.000 0.202 423 D C 2.323 178.594 176.300 -0.049 0.000 0.974 423 D CA 1.268 55.252 54.000 -0.028 0.000 0.841 423 D CB -0.185 40.600 40.800 -0.024 0.000 0.953 423 D HN 0.412 nan 8.370 nan 0.000 0.478 424 R N -0.102 120.343 120.500 -0.091 0.000 2.083 424 R HA -0.136 4.195 4.340 -0.015 0.000 0.237 424 R C 2.310 178.539 176.300 -0.118 0.000 1.137 424 R CA 1.126 57.133 56.100 -0.154 0.000 0.951 424 R CB -0.346 29.800 30.300 -0.257 0.000 0.851 424 R HN 0.253 nan 8.270 nan 0.000 0.434 425 L N 0.543 121.720 121.223 -0.077 0.000 2.013 425 L HA -0.264 4.067 4.340 -0.015 0.000 0.212 425 L C 2.772 179.644 176.870 0.003 0.000 1.073 425 L CA 2.175 56.989 54.840 -0.043 0.000 0.753 425 L CB -0.606 41.438 42.059 -0.025 0.000 0.890 425 L HN 0.357 nan 8.230 nan 0.000 0.432 426 R N 0.018 120.526 120.500 0.013 0.000 2.092 426 R HA -0.119 4.212 4.340 -0.015 0.000 0.231 426 R C 2.257 178.608 176.300 0.084 0.000 1.119 426 R CA 1.007 57.137 56.100 0.051 0.000 0.970 426 R CB -0.481 29.844 30.300 0.041 0.000 0.864 426 R HN 0.235 nan 8.270 nan 0.000 0.440 427 R N 0.318 120.849 120.500 0.052 0.000 2.096 427 R HA 0.042 4.373 4.340 -0.015 0.000 0.235 427 R C 2.147 178.527 176.300 0.133 0.000 1.127 427 R CA 1.859 58.014 56.100 0.093 0.000 0.968 427 R CB -0.205 30.111 30.300 0.027 0.000 0.861 427 R HN 0.346 nan 8.270 nan 0.000 0.440 428 M N 0.105 119.703 119.600 -0.004 0.000 2.541 428 M HA 0.039 4.510 4.480 -0.015 0.000 0.252 428 M C 0.858 177.281 176.300 0.205 0.000 1.125 428 M CA 0.022 55.253 55.300 -0.116 0.000 1.091 428 M CB 0.418 32.796 32.600 -0.370 0.000 1.420 428 M HN -0.077 nan 8.290 nan 0.000 0.486 429 S N 1.099 116.948 115.700 0.248 0.000 2.558 429 S HA 0.081 4.542 4.470 -0.015 0.000 0.288 429 S C 1.131 175.982 174.600 0.418 0.000 1.318 429 S CA -0.277 58.102 58.200 0.299 0.000 1.056 429 S CB 0.573 63.896 63.200 0.204 0.000 0.853 429 S HN 0.361 nan 8.310 nan 0.000 0.505 430 L N 4.233 125.656 121.223 0.333 0.000 2.313 430 L HA 0.108 4.438 4.340 -0.015 0.000 0.214 430 L C 0.306 177.292 176.870 0.194 0.000 1.119 430 L CA 0.261 55.262 54.840 0.269 0.000 0.809 430 L CB -0.432 41.720 42.059 0.156 0.000 0.933 430 L HN 0.399 nan 8.230 nan 0.000 0.449 431 V N 0.836 120.874 119.914 0.207 0.000 2.364 431 V HA 0.161 4.272 4.120 -0.015 0.000 0.272 431 V C 0.126 176.314 176.094 0.157 0.000 1.036 431 V CA -0.530 61.881 62.300 0.185 0.000 0.880 431 V CB 1.209 33.176 31.823 0.239 0.000 0.991 431 V HN 0.166 nan 8.190 nan 0.000 0.460 432 E N 2.934 123.207 120.200 0.122 0.000 2.227 432 E HA 0.358 4.699 4.350 -0.015 0.000 0.282 432 E C -0.527 176.128 176.600 0.092 0.000 1.015 432 E CA -0.471 55.989 56.400 0.100 0.000 0.823 432 E CB 1.529 31.269 29.700 0.066 0.000 1.081 432 E HN 0.645 nan 8.360 nan 0.000 0.396 433 E N 1.099 121.348 120.200 0.082 0.000 2.283 433 E HA 0.629 4.969 4.350 -0.015 0.000 0.271 433 E C -0.177 176.460 176.600 0.061 0.000 1.031 433 E CA 0.109 56.551 56.400 0.070 0.000 0.868 433 E CB 1.502 31.237 29.700 0.058 0.000 1.094 433 E HN 0.609 nan 8.360 nan 0.000 0.401 434 G N 0.534 109.370 108.800 0.058 0.000 2.333 434 G HA2 0.356 4.307 3.960 -0.015 0.000 0.288 434 G HA3 0.356 4.307 3.960 -0.015 0.000 0.288 434 G C 0.227 175.159 174.900 0.054 0.000 1.286 434 G CA 0.034 45.165 45.100 0.052 0.000 0.865 434 G HN 0.569 nan 8.290 nan 0.000 0.506 435 A N -0.986 121.864 122.820 0.050 0.000 1.859 435 A HA 0.269 4.580 4.320 -0.015 0.000 0.217 435 A C 1.652 179.277 177.584 0.069 0.000 1.198 435 A CA 3.226 55.293 52.037 0.050 0.000 0.629 435 A CB -1.188 17.838 19.000 0.043 0.000 0.830 435 A HN 2.214 nan 8.150 nan 0.000 0.446 436 V N -2.469 117.497 119.914 0.087 0.000 2.370 436 V HA 0.486 4.596 4.120 -0.015 0.000 0.283 436 V C -0.343 175.823 176.094 0.120 0.000 1.023 436 V CA -1.330 61.046 62.300 0.128 0.000 0.857 436 V CB 1.160 33.084 31.823 0.168 0.000 0.985 436 V HN 0.293 nan 8.190 nan 0.000 0.443 437 K N 4.456 124.937 120.400 0.134 0.000 2.401 437 K HA 0.439 4.750 4.320 -0.015 0.000 0.278 437 K C -0.279 176.394 176.600 0.121 0.000 1.018 437 K CA -0.072 56.290 56.287 0.126 0.000 0.981 437 K CB 0.859 33.446 32.500 0.144 0.000 0.933 437 K HN 0.746 nan 8.250 nan 0.000 0.477 438 R N 1.945 122.506 120.500 0.101 0.000 2.744 438 R HA 0.444 4.775 4.340 -0.015 0.000 0.279 438 R C -0.480 175.865 176.300 0.074 0.000 0.977 438 R CA -0.977 55.172 56.100 0.081 0.000 0.906 438 R CB 1.357 31.686 30.300 0.048 0.000 1.197 438 R HN 0.389 nan 8.270 nan 0.000 0.463 439 I N 2.080 122.691 120.570 0.068 0.000 2.342 439 I HA 0.125 4.286 4.170 -0.015 0.000 0.291 439 I C 0.069 176.176 176.117 -0.017 0.000 1.010 439 I CA -0.555 60.771 61.300 0.043 0.000 1.308 439 I CB 0.912 38.935 38.000 0.038 0.000 1.400 439 I HN 0.497 nan 8.210 nan 0.000 0.488 440 N N 7.082 125.748 118.700 -0.058 0.000 2.415 440 N HA 0.109 4.840 4.740 -0.015 0.000 0.246 440 N C 0.754 176.164 175.510 -0.167 0.000 1.078 440 N CA -0.347 52.588 53.050 -0.192 0.000 0.942 440 N CB 1.014 39.260 38.487 -0.402 0.000 1.140 440 N HN 0.385 nan 8.380 nan 0.000 0.501 441 M N 2.379 121.875 119.600 -0.174 0.000 2.254 441 M HA -0.037 4.434 4.480 -0.015 0.000 0.265 441 M C 1.947 178.090 176.300 -0.261 0.000 1.066 441 M CA 0.692 55.904 55.300 -0.147 0.000 1.123 441 M CB -1.556 31.000 32.600 -0.073 0.000 1.388 441 M HN 0.600 nan 8.290 nan 0.000 0.425 442 A N -0.323 122.328 122.820 -0.281 0.000 1.902 442 A HA -0.184 4.126 4.320 -0.015 0.000 0.217 442 A C 1.999 179.312 177.584 -0.452 0.000 1.181 442 A CA 1.584 53.397 52.037 -0.374 0.000 0.623 442 A CB -1.186 17.784 19.000 -0.049 0.000 0.818 442 A HN 0.594 nan 8.150 nan 0.000 0.443 443 H N -1.076 117.750 119.070 -0.408 0.000 2.353 443 H HA -0.059 4.488 4.556 -0.015 0.000 0.300 443 H C 2.131 177.216 175.328 -0.405 0.000 1.090 443 H CA 0.972 56.741 56.048 -0.466 0.000 1.327 443 H CB -0.078 29.623 29.762 -0.100 0.000 1.383 443 H HN 0.351 nan 8.280 nan 0.000 0.508 444 L N 0.503 121.633 121.223 -0.154 0.000 2.012 444 L HA -0.237 4.094 4.340 -0.015 0.000 0.210 444 L C 2.251 178.980 176.870 -0.234 0.000 1.073 444 L CA 1.437 56.186 54.840 -0.151 0.000 0.748 444 L CB -0.499 41.501 42.059 -0.098 0.000 0.891 444 L HN 0.468 nan 8.230 nan 0.000 0.431 445 C N -0.064 118.993 119.300 -0.405 0.000 2.429 445 C HA -0.163 4.288 4.460 -0.015 0.000 0.277 445 C C 2.698 177.437 174.990 -0.418 0.000 1.262 445 C CA 0.503 59.211 59.018 -0.517 0.000 1.733 445 C CB -0.735 26.332 27.740 -1.121 0.000 2.010 445 C HN 0.504 nan 8.230 nan 0.000 0.483 446 I N 1.366 121.640 120.570 -0.492 0.000 2.202 446 I HA -0.183 3.978 4.170 -0.015 0.000 0.242 446 I C 2.779 178.760 176.117 -0.226 0.000 1.091 446 I CA 1.599 62.658 61.300 -0.402 0.000 1.368 446 I CB -0.597 37.022 38.000 -0.635 0.000 1.058 446 I HN 0.255 nan 8.210 nan 0.000 0.410 447 A N 0.605 123.267 122.820 -0.264 0.000 1.940 447 A HA -0.130 4.181 4.320 -0.015 0.000 0.219 447 A C 2.211 179.846 177.584 0.085 0.000 1.176 447 A CA 1.990 53.928 52.037 -0.165 0.000 0.631 447 A CB -1.183 17.511 19.000 -0.510 0.000 0.814 447 A HN 0.490 nan 8.150 nan 0.000 0.446 448 G N -1.263 107.519 108.800 -0.030 0.000 3.284 448 G HA2 0.409 4.360 3.960 -0.015 0.000 0.236 448 G HA3 0.409 4.360 3.960 -0.015 0.000 0.236 448 G C 0.104 174.847 174.900 -0.263 0.000 1.158 448 G CA 0.494 45.456 45.100 -0.231 0.000 0.774 448 G HN 0.353 nan 8.290 nan 0.000 0.545 449 S N -0.085 115.518 115.700 -0.162 0.000 2.503 449 S HA 0.300 4.761 4.470 -0.015 0.000 0.301 449 S C 0.856 175.415 174.600 -0.067 0.000 1.087 449 S CA -0.690 57.447 58.200 -0.104 0.000 1.042 449 S CB 1.295 64.439 63.200 -0.094 0.000 1.043 449 S HN 0.500 nan 8.310 nan 0.000 0.489 450 H N 0.274 119.306 119.070 -0.063 0.000 2.547 450 H HA 0.382 4.929 4.556 -0.015 0.000 0.272 450 H C 0.170 175.485 175.328 -0.023 0.000 0.989 450 H CA 0.506 56.544 56.048 -0.016 0.000 1.214 450 H CB 0.096 29.864 29.762 0.009 0.000 1.389 450 H HN 0.526 nan 8.280 nan 0.000 0.577 451 A N 0.992 123.490 122.820 -0.537 0.000 2.455 451 A HA 0.561 4.871 4.320 -0.015 0.000 0.300 451 A C -1.372 176.007 177.584 -0.340 0.000 1.040 451 A CA -0.586 51.185 52.037 -0.444 0.000 0.697 451 A CB 2.245 20.926 19.000 -0.532 0.000 1.265 451 A HN 0.098 nan 8.150 nan 0.000 0.407 452 V N 4.254 123.932 119.914 -0.393 0.000 2.483 452 V HA 0.518 4.629 4.120 -0.015 0.000 0.297 452 V C -0.745 175.154 176.094 -0.325 0.000 1.027 452 V CA -0.784 61.279 62.300 -0.394 0.000 0.855 452 V CB 1.748 33.198 31.823 -0.621 0.000 0.995 452 V HN 1.006 nan 8.190 nan 0.000 0.424 453 N N 3.220 121.751 118.700 -0.283 0.000 2.240 453 N HA 0.609 5.340 4.740 -0.015 0.000 0.302 453 N C -0.236 175.166 175.510 -0.180 0.000 1.106 453 N CA -0.375 52.550 53.050 -0.208 0.000 0.778 453 N CB 2.891 41.234 38.487 -0.241 0.000 1.431 453 N HN 0.626 nan 8.380 nan 0.000 0.479 454 G N -0.712 108.020 108.800 -0.114 0.000 2.535 454 G HA2 0.419 4.369 3.960 -0.015 0.000 0.303 454 G HA3 0.419 4.369 3.960 -0.015 0.000 0.303 454 G C 0.767 175.729 174.900 0.104 0.000 1.237 454 G CA -0.495 44.598 45.100 -0.011 0.000 0.986 454 G HN 0.619 nan 8.290 nan 0.000 0.494 455 V N -3.733 116.363 119.914 0.302 0.000 3.427 455 V HA 0.694 4.805 4.120 -0.015 0.000 0.305 455 V C 0.570 176.741 176.094 0.128 0.000 1.412 455 V CA 0.396 62.773 62.300 0.129 0.000 1.086 455 V CB -0.791 31.044 31.823 0.020 0.000 0.964 455 V HN 1.340 nan 8.190 nan 0.000 0.439 456 A N -0.038 122.874 122.820 0.154 0.000 2.599 456 A HA 0.631 4.942 4.320 -0.015 0.000 0.294 456 A C 0.695 178.330 177.584 0.085 0.000 1.055 456 A CA -0.105 51.998 52.037 0.110 0.000 0.683 456 A CB 1.143 20.198 19.000 0.093 0.000 1.278 456 A HN 0.006 nan 8.150 nan 0.000 0.412 457 R N 0.749 121.278 120.500 0.047 0.000 2.091 457 R HA -0.142 4.189 4.340 -0.015 0.000 0.238 457 R C 1.604 177.901 176.300 -0.004 0.000 1.136 457 R CA 2.211 58.316 56.100 0.008 0.000 0.959 457 R CB -0.196 30.104 30.300 -0.000 0.000 0.856 457 R HN 0.824 nan 8.270 nan 0.000 0.437 458 I N 0.299 120.877 120.570 0.013 0.000 2.315 458 I HA -0.275 3.886 4.170 -0.015 0.000 0.248 458 I C 2.302 178.429 176.117 0.017 0.000 1.117 458 I CA 1.724 63.024 61.300 0.001 0.000 1.404 458 I CB -0.219 37.781 38.000 0.000 0.000 1.071 458 I HN 0.331 nan 8.210 nan 0.000 0.419 459 H N 0.287 119.330 119.070 -0.044 0.000 2.326 459 H HA -0.100 4.447 4.556 -0.016 0.000 0.301 459 H C 2.256 177.554 175.328 -0.049 0.000 1.081 459 H CA 2.135 58.154 56.048 -0.049 0.000 1.334 459 H CB -0.240 29.497 29.762 -0.041 0.000 1.385 459 H HN 0.213 nan 8.280 nan 0.000 0.504 460 S N 0.354 115.927 115.700 -0.211 0.000 2.399 460 S HA -0.125 4.335 4.470 -0.015 0.000 0.231 460 S C 1.885 176.367 174.600 -0.196 0.000 1.022 460 S CA 1.188 59.251 58.200 -0.229 0.000 0.983 460 S CB -0.073 63.062 63.200 -0.109 0.000 0.803 460 S HN 0.482 nan 8.310 nan 0.000 0.480 461 E N 1.218 121.324 120.200 -0.156 0.000 2.072 461 E HA -0.009 4.332 4.350 -0.015 0.000 0.191 461 E C 2.024 178.515 176.600 -0.182 0.000 0.985 461 E CA 0.685 56.985 56.400 -0.167 0.000 0.801 461 E CB -0.396 29.236 29.700 -0.113 0.000 0.750 461 E HN 0.510 nan 8.360 nan 0.000 0.452 462 I N 1.058 121.536 120.570 -0.153 0.000 2.335 462 I HA -0.279 3.882 4.170 -0.015 0.000 0.251 462 I C 2.363 178.365 176.117 -0.192 0.000 1.129 462 I CA 0.810 62.025 61.300 -0.143 0.000 1.402 462 I CB -0.245 37.703 38.000 -0.087 0.000 1.069 462 I HN 0.059 nan 8.210 nan 0.000 0.424 463 L N 0.265 121.345 121.223 -0.239 0.000 2.056 463 L HA -0.194 4.137 4.340 -0.015 0.000 0.207 463 L C 2.464 179.238 176.870 -0.159 0.000 1.078 463 L CA 1.443 56.169 54.840 -0.190 0.000 0.749 463 L CB -0.549 41.479 42.059 -0.051 0.000 0.901 463 L HN 0.164 nan 8.230 nan 0.000 0.433 464 K N -0.114 120.104 120.400 -0.305 0.000 2.217 464 K HA -0.109 4.202 4.320 -0.015 0.000 0.202 464 K C 1.990 178.381 176.600 -0.348 0.000 1.051 464 K CA 0.915 56.852 56.287 -0.583 0.000 0.952 464 K CB 0.127 32.043 32.500 -0.972 0.000 0.736 464 K HN 0.252 nan 8.250 nan 0.000 0.453 465 K N -0.391 119.876 120.400 -0.223 0.000 2.308 465 K HA -0.002 4.308 4.320 -0.015 0.000 0.197 465 K C 1.816 178.367 176.600 -0.083 0.000 1.049 465 K CA 1.223 57.433 56.287 -0.129 0.000 0.991 465 K CB 0.722 33.154 32.500 -0.114 0.000 0.836 465 K HN 0.238 nan 8.250 nan 0.000 0.500 466 T N -1.326 113.168 114.554 -0.099 0.000 3.257 466 T HA 0.059 4.399 4.350 -0.015 0.000 0.176 466 T C 1.970 176.622 174.700 -0.081 0.000 0.892 466 T CA 0.006 62.058 62.100 -0.080 0.000 1.147 466 T CB -0.793 68.023 68.868 -0.087 0.000 1.840 466 T HN 0.077 nan 8.240 nan 0.000 0.375 467 I N -0.760 119.695 120.570 -0.193 0.000 2.361 467 I HA 0.191 4.352 4.170 -0.015 0.000 0.251 467 I C 1.432 177.479 176.117 -0.116 0.000 1.133 467 I CA 1.432 62.568 61.300 -0.273 0.000 1.413 467 I CB -0.658 37.001 38.000 -0.567 0.000 1.073 467 I HN 0.254 nan 8.210 nan 0.000 0.424 468 F N 0.680 120.715 119.950 0.143 0.000 2.735 468 F HA 0.348 4.866 4.527 -0.016 0.000 0.304 468 F C 1.969 177.874 175.800 0.174 0.000 1.119 468 F CA -0.638 57.521 58.000 0.265 0.000 1.280 468 F CB 0.135 39.314 39.000 0.299 0.000 0.994 468 F HN -0.120 nan 8.300 nan 0.000 0.520 469 K N 1.078 121.599 120.400 0.201 0.000 2.059 469 K HA -0.227 4.084 4.320 -0.015 0.000 0.212 469 K C 1.343 178.007 176.600 0.107 0.000 1.050 469 K CA 2.253 58.602 56.287 0.104 0.000 0.927 469 K CB -0.023 32.501 32.500 0.040 0.000 0.714 469 K HN 0.171 nan 8.250 nan 0.000 0.447 470 D N -0.189 120.255 120.400 0.074 0.000 2.123 470 D HA -0.169 4.462 4.640 -0.015 0.000 0.196 470 D C 1.819 178.043 176.300 -0.125 0.000 0.992 470 D CA 1.301 55.218 54.000 -0.137 0.000 0.833 470 D CB -0.328 40.302 40.800 -0.284 0.000 0.954 470 D HN 0.245 nan 8.370 nan 0.000 0.455 471 F N -0.313 119.719 119.950 0.137 0.000 2.206 471 F HA -0.127 4.391 4.527 -0.015 0.000 0.298 471 F C 2.333 178.272 175.800 0.232 0.000 1.090 471 F CA 0.463 58.620 58.000 0.260 0.000 1.323 471 F CB -0.609 38.619 39.000 0.380 0.000 1.028 471 F HN -0.036 nan 8.300 nan 0.000 0.492 472 Y N 1.356 121.618 120.300 -0.064 0.000 2.224 472 Y HA -0.191 4.350 4.550 -0.015 0.000 0.289 472 Y C 2.092 177.943 175.900 -0.082 0.000 1.146 472 Y CA 1.596 59.423 58.100 -0.455 0.000 1.182 472 Y CB -0.574 37.416 38.460 -0.784 0.000 0.983 472 Y HN 0.125 nan 8.280 nan 0.000 0.524 473 E N -0.359 119.765 120.200 -0.126 0.000 2.106 473 E HA -0.191 4.150 4.350 -0.015 0.000 0.192 473 E C 2.000 178.651 176.600 0.085 0.000 0.984 473 E CA 1.171 57.524 56.400 -0.079 0.000 0.806 473 E CB -0.277 29.430 29.700 0.012 0.000 0.750 473 E HN 0.421 nan 8.360 nan 0.000 0.458 474 L N 1.040 122.354 121.223 0.153 0.000 2.027 474 L HA -0.090 4.241 4.340 -0.015 0.000 0.206 474 L C 0.208 177.162 176.870 0.140 0.000 1.074 474 L CA 1.763 56.732 54.840 0.215 0.000 0.745 474 L CB 0.283 42.463 42.059 0.202 0.000 0.898 474 L HN -0.079 nan 8.230 nan 0.000 0.433 475 E N -0.290 119.990 120.200 0.134 0.000 3.132 475 E HA 0.182 4.523 4.350 -0.015 0.000 0.241 475 E C -1.986 174.590 176.600 -0.039 0.000 1.196 475 E CA -1.285 55.116 56.400 0.002 0.000 0.869 475 E CB 0.834 30.508 29.700 -0.042 0.000 1.387 475 E HN 0.196 nan 8.360 nan 0.000 0.393 476 P HA -0.241 nan 4.420 nan 0.000 0.218 476 P C 1.129 178.543 177.300 0.191 0.000 1.148 476 P CA 1.353 64.355 63.100 -0.162 0.000 0.822 476 P CB -0.047 31.459 31.700 -0.323 0.000 0.784 477 H N -0.341 118.841 119.070 0.187 0.000 2.545 477 H HA 0.100 4.647 4.556 -0.015 0.000 0.282 477 H C 1.631 177.060 175.328 0.168 0.000 1.020 477 H CA 0.686 56.831 56.048 0.162 0.000 1.243 477 H CB -0.447 29.378 29.762 0.105 0.000 1.377 477 H HN 0.153 nan 8.280 nan 0.000 0.581 478 K N 0.175 120.512 120.400 -0.105 0.000 2.305 478 K HA 0.075 4.386 4.320 -0.015 0.000 0.199 478 K C -0.337 176.135 176.600 -0.212 0.000 1.047 478 K CA -0.007 56.175 56.287 -0.176 0.000 0.976 478 K CB 0.239 32.528 32.500 -0.351 0.000 0.765 478 K HN 0.056 nan 8.250 nan 0.000 0.474 479 F N 1.466 121.445 119.950 0.048 0.000 2.411 479 F HA 0.253 4.771 4.527 -0.016 0.000 0.350 479 F C 0.256 176.055 175.800 -0.002 0.000 1.114 479 F CA -0.401 57.626 58.000 0.046 0.000 1.135 479 F CB 1.303 40.386 39.000 0.139 0.000 1.120 479 F HN -0.111 nan 8.300 nan 0.000 0.495 480 Q N 1.776 121.598 119.800 0.038 0.000 2.544 480 Q HA 0.340 4.670 4.340 -0.015 0.000 0.291 480 Q C -1.232 174.723 176.000 -0.075 0.000 1.068 480 Q CA -1.256 54.524 55.803 -0.038 0.000 0.785 480 Q CB 3.142 31.804 28.738 -0.128 0.000 1.481 480 Q HN 0.610 nan 8.270 nan 0.000 0.430 481 N N 0.803 119.445 118.700 -0.097 0.000 2.361 481 N HA 0.276 5.007 4.740 -0.015 0.000 0.302 481 N C -1.423 173.985 175.510 -0.169 0.000 1.074 481 N CA -0.377 52.612 53.050 -0.103 0.000 0.850 481 N CB 0.990 39.439 38.487 -0.063 0.000 1.228 481 N HN 0.298 nan 8.380 nan 0.000 0.491 482 K N 2.696 122.998 120.400 -0.164 0.000 2.705 482 K HA 0.186 4.496 4.320 -0.015 0.000 0.238 482 K C -0.973 175.632 176.600 0.007 0.000 0.996 482 K CA -0.512 55.656 56.287 -0.198 0.000 1.007 482 K CB 1.363 33.518 32.500 -0.574 0.000 1.206 482 K HN 0.530 nan 8.250 nan 0.000 0.488 483 T N 2.180 116.758 114.554 0.039 0.000 2.902 483 T HA 0.065 4.406 4.350 -0.015 0.000 0.301 483 T C 0.737 175.561 174.700 0.206 0.000 1.012 483 T CA 0.252 62.425 62.100 0.121 0.000 1.151 483 T CB 0.255 69.196 68.868 0.122 0.000 0.946 483 T HN 0.358 nan 8.240 nan 0.000 0.542 484 N N 0.734 119.574 118.700 0.234 0.000 2.307 484 N HA 0.360 5.091 4.740 -0.015 0.000 0.230 484 N C 0.438 176.128 175.510 0.300 0.000 1.297 484 N CA -0.163 53.057 53.050 0.285 0.000 0.884 484 N CB 0.397 38.995 38.487 0.186 0.000 1.115 484 N HN 0.749 nan 8.380 nan 0.000 0.436 485 G N -0.331 108.663 108.800 0.323 0.000 2.695 485 G HA2 0.630 4.580 3.960 -0.015 0.000 0.290 485 G HA3 0.630 4.580 3.960 -0.015 0.000 0.290 485 G C -1.191 173.848 174.900 0.231 0.000 1.410 485 G CA -0.734 44.538 45.100 0.286 0.000 0.844 485 G HN 0.598 nan 8.290 nan 0.000 0.478 486 I N -2.266 118.419 120.570 0.191 0.000 2.740 486 I HA 0.743 4.904 4.170 -0.015 0.000 0.303 486 I C -0.111 176.163 176.117 0.262 0.000 1.044 486 I CA -0.942 60.462 61.300 0.174 0.000 1.064 486 I CB 2.508 40.490 38.000 -0.029 0.000 1.249 486 I HN 0.430 nan 8.210 nan 0.000 0.433 487 T N 4.512 119.288 114.554 0.370 0.000 2.761 487 T HA 0.338 4.679 4.350 -0.015 0.000 0.296 487 T C -1.351 173.473 174.700 0.206 0.000 0.934 487 T CA -1.626 60.613 62.100 0.231 0.000 1.091 487 T CB 0.702 69.649 68.868 0.131 0.000 0.896 487 T HN 0.613 nan 8.240 nan 0.000 0.515 488 P HA -0.016 nan 4.420 nan 0.000 0.226 488 P C 1.145 178.412 177.300 -0.055 0.000 1.153 488 P CA 0.509 63.643 63.100 0.055 0.000 0.777 488 P CB 0.376 32.083 31.700 0.011 0.000 0.794 489 R N 0.366 120.786 120.500 -0.133 0.000 2.070 489 R HA -0.011 4.320 4.340 -0.015 0.000 0.227 489 R C 2.710 178.892 176.300 -0.197 0.000 1.147 489 R CA 1.569 57.548 56.100 -0.201 0.000 0.924 489 R CB -1.288 28.892 30.300 -0.200 0.000 0.827 489 R HN 0.047 nan 8.270 nan 0.000 0.431 490 R N -0.780 119.548 120.500 -0.287 0.000 2.081 490 R HA -0.138 4.192 4.340 -0.015 0.000 0.235 490 R C 1.101 177.069 176.300 -0.553 0.000 1.131 490 R CA 1.781 57.554 56.100 -0.544 0.000 0.960 490 R CB -0.182 29.585 30.300 -0.889 0.000 0.856 490 R HN 0.316 nan 8.270 nan 0.000 0.436 491 W N -0.528 120.726 121.300 -0.076 0.000 3.353 491 W HA 0.168 4.818 4.660 -0.016 0.000 0.304 491 W C 0.952 177.438 176.519 -0.055 0.000 1.273 491 W CA -0.747 56.553 57.345 -0.076 0.000 1.773 491 W CB 0.457 29.877 29.460 -0.067 0.000 1.095 491 W HN 0.216 nan 8.180 nan 0.000 0.676 492 L N -2.169 119.109 121.223 0.093 0.000 2.923 492 L HA 0.196 4.527 4.340 -0.015 0.000 0.161 492 L C 1.826 178.710 176.870 0.022 0.000 1.202 492 L CA 0.766 55.653 54.840 0.079 0.000 0.920 492 L CB -0.890 41.242 42.059 0.122 0.000 1.773 492 L HN -0.253 nan 8.230 nan 0.000 0.532 493 V N 1.175 121.079 119.914 -0.016 0.000 2.282 493 V HA -0.303 3.808 4.120 -0.015 0.000 0.249 493 V C 2.464 178.528 176.094 -0.050 0.000 1.057 493 V CA 2.596 64.875 62.300 -0.035 0.000 1.032 493 V CB -0.733 31.037 31.823 -0.088 0.000 0.645 493 V HN 0.521 nan 8.190 nan 0.000 0.447 494 L N 0.340 121.505 121.223 -0.098 0.000 2.023 494 L HA -0.174 4.157 4.340 -0.015 0.000 0.205 494 L C 2.514 179.318 176.870 -0.110 0.000 1.073 494 L CA 2.342 57.109 54.840 -0.123 0.000 0.745 494 L CB -0.257 41.680 42.059 -0.204 0.000 0.900 494 L HN 0.664 nan 8.230 nan 0.000 0.435 495 C N -1.705 117.524 119.300 -0.118 0.000 2.533 495 C HA 0.181 4.631 4.460 -0.015 0.000 0.272 495 C C 1.207 176.177 174.990 -0.033 0.000 1.371 495 C CA -0.262 58.704 59.018 -0.088 0.000 1.758 495 C CB -0.968 26.718 27.740 -0.089 0.000 1.972 495 C HN 0.576 nan 8.230 nan 0.000 0.522 496 N N 1.232 119.924 118.700 -0.013 0.000 2.765 496 N HA 0.308 5.038 4.740 -0.015 0.000 0.277 496 N C -1.762 173.758 175.510 0.016 0.000 1.750 496 N CA -1.700 51.354 53.050 0.007 0.000 0.827 496 N CB 0.818 39.319 38.487 0.022 0.000 1.200 496 N HN 0.261 nan 8.380 nan 0.000 0.494 497 P HA -0.049 nan 4.420 nan 0.000 0.217 497 P C 1.431 178.745 177.300 0.023 0.000 1.150 497 P CA 0.960 64.068 63.100 0.015 0.000 0.832 497 P CB 0.213 31.915 31.700 0.004 0.000 0.787 498 G N 0.657 109.466 108.800 0.015 0.000 2.476 498 G HA2 -0.268 3.683 3.960 -0.015 0.000 0.218 498 G HA3 -0.268 3.683 3.960 -0.015 0.000 0.218 498 G C 1.550 176.457 174.900 0.011 0.000 1.164 498 G CA 0.873 45.979 45.100 0.010 0.000 0.768 498 G HN 0.258 nan 8.290 nan 0.000 0.560 499 L N 1.229 122.460 121.223 0.014 0.000 2.044 499 L HA 0.271 4.601 4.340 -0.015 0.000 0.205 499 L C 3.093 179.992 176.870 0.049 0.000 1.075 499 L CA 2.043 56.890 54.840 0.012 0.000 0.747 499 L CB -0.777 41.289 42.059 0.011 0.000 0.903 499 L HN 0.233 nan 8.230 nan 0.000 0.435 500 A N -0.812 122.061 122.820 0.087 0.000 1.986 500 A HA -0.268 4.042 4.320 -0.015 0.000 0.220 500 A C 2.231 179.913 177.584 0.163 0.000 1.171 500 A CA 1.914 54.058 52.037 0.178 0.000 0.640 500 A CB -0.644 18.456 19.000 0.167 0.000 0.811 500 A HN 0.562 nan 8.150 nan 0.000 0.451 501 E N 0.559 120.814 120.200 0.092 0.000 2.046 501 E HA -0.126 4.215 4.350 -0.015 0.000 0.190 501 E C 1.844 178.481 176.600 0.063 0.000 0.982 501 E CA 1.431 57.875 56.400 0.073 0.000 0.800 501 E CB -0.497 29.229 29.700 0.043 0.000 0.756 501 E HN 0.740 nan 8.360 nan 0.000 0.449 502 I N -1.675 118.927 120.570 0.052 0.000 2.493 502 I HA -0.117 4.043 4.170 -0.015 0.000 0.254 502 I C 2.057 178.245 176.117 0.119 0.000 1.160 502 I CA 1.084 62.428 61.300 0.073 0.000 1.445 502 I CB -0.307 37.715 38.000 0.036 0.000 1.086 502 I HN 0.009 nan 8.210 nan 0.000 0.433 503 I N 1.886 122.496 120.570 0.065 0.000 2.286 503 I HA -0.154 4.006 4.170 -0.015 0.000 0.245 503 I C 2.978 179.026 176.117 -0.115 0.000 1.104 503 I CA 1.248 62.504 61.300 -0.073 0.000 1.397 503 I CB -0.466 37.362 38.000 -0.286 0.000 1.072 503 I HN 0.295 nan 8.210 nan 0.000 0.417 504 A N 0.435 123.281 122.820 0.042 0.000 1.930 504 A HA -0.208 4.103 4.320 -0.015 0.000 0.217 504 A C 2.171 179.778 177.584 0.038 0.000 1.175 504 A CA 1.495 53.609 52.037 0.128 0.000 0.627 504 A CB -0.551 18.571 19.000 0.203 0.000 0.815 504 A HN 0.418 nan 8.150 nan 0.000 0.443 505 E N -0.561 119.647 120.200 0.013 0.000 2.097 505 E HA -0.226 4.115 4.350 -0.015 0.000 0.196 505 E C 2.290 178.854 176.600 -0.059 0.000 1.000 505 E CA 1.341 57.737 56.400 -0.007 0.000 0.804 505 E CB -0.087 29.617 29.700 0.007 0.000 0.740 505 E HN 0.416 nan 8.360 nan 0.000 0.454 506 R N 0.182 120.583 120.500 -0.164 0.000 2.066 506 R HA 0.029 4.360 4.340 -0.015 0.000 0.224 506 R C 2.403 178.598 176.300 -0.175 0.000 1.122 506 R CA 1.050 56.967 56.100 -0.304 0.000 0.974 506 R CB -0.513 29.250 30.300 -0.895 0.000 0.871 506 R HN 0.375 nan 8.270 nan 0.000 0.435 507 I N -3.242 117.234 120.570 -0.156 0.000 4.154 507 I HA 0.430 4.590 4.170 -0.015 0.000 0.334 507 I C 0.473 176.611 176.117 0.035 0.000 1.371 507 I CA 0.203 61.467 61.300 -0.060 0.000 1.110 507 I CB 0.734 38.674 38.000 -0.100 0.000 1.085 507 I HN 0.186 nan 8.210 nan 0.000 0.398 508 G N 2.009 110.845 108.800 0.060 0.000 2.698 508 G HA2 -0.226 3.724 3.960 -0.015 0.000 0.225 508 G HA3 -0.226 3.724 3.960 -0.015 0.000 0.225 508 G C -0.025 175.013 174.900 0.229 0.000 1.345 508 G CA 0.240 45.407 45.100 0.111 0.000 0.871 508 G HN 0.416 nan 8.290 nan 0.000 0.540 509 E N -0.243 120.049 120.200 0.153 0.000 2.431 509 E HA 0.100 4.441 4.350 -0.015 0.000 0.200 509 E C 2.053 178.628 176.600 -0.042 0.000 0.995 509 E CA 0.382 56.825 56.400 0.073 0.000 0.915 509 E CB 0.204 29.925 29.700 0.035 0.000 0.930 509 E HN 0.623 nan 8.360 nan 0.000 0.496 510 E N 0.362 120.596 120.200 0.057 0.000 2.331 510 E HA -0.221 4.120 4.350 -0.015 0.000 0.199 510 E C 1.595 178.200 176.600 0.009 0.000 1.008 510 E CA 1.030 57.450 56.400 0.034 0.000 0.843 510 E CB -0.150 29.588 29.700 0.063 0.000 0.761 510 E HN 0.489 nan 8.360 nan 0.000 0.507 511 Y N -1.021 119.282 120.300 0.004 0.000 2.421 511 Y HA -0.059 4.482 4.550 -0.014 0.000 0.292 511 Y C 1.754 177.630 175.900 -0.039 0.000 1.136 511 Y CA 0.527 58.621 58.100 -0.010 0.000 1.255 511 Y CB -0.514 37.942 38.460 -0.007 0.000 0.991 511 Y HN -0.062 nan 8.280 nan 0.000 0.552 512 I N 1.015 121.102 120.570 -0.804 0.000 2.335 512 I HA -0.255 3.906 4.170 -0.015 0.000 0.251 512 I C 1.657 177.511 176.117 -0.438 0.000 1.129 512 I CA 1.889 62.758 61.300 -0.718 0.000 1.402 512 I CB -0.393 37.104 38.000 -0.838 0.000 1.069 512 I HN 0.460 nan 8.210 nan 0.000 0.424 513 S N -2.025 113.527 115.700 -0.247 0.000 2.663 513 S HA 0.189 4.649 4.470 -0.015 0.000 0.243 513 S C 0.125 174.706 174.600 -0.030 0.000 1.009 513 S CA -0.481 57.655 58.200 -0.106 0.000 0.988 513 S CB 0.334 63.547 63.200 0.021 0.000 0.896 513 S HN 0.292 nan 8.310 nan 0.000 0.502 514 D N 0.707 121.096 120.400 -0.018 0.000 2.752 514 D HA 0.216 4.846 4.640 -0.015 0.000 0.242 514 D C 0.164 176.503 176.300 0.065 0.000 1.295 514 D CA -0.364 53.650 54.000 0.024 0.000 0.846 514 D CB 0.503 41.322 40.800 0.033 0.000 1.454 514 D HN 0.106 nan 8.370 nan 0.000 0.535 515 L N 1.542 122.803 121.223 0.063 0.000 2.362 515 L HA 0.054 4.385 4.340 -0.015 0.000 0.219 515 L C 1.468 178.388 176.870 0.084 0.000 1.134 515 L CA 1.347 56.255 54.840 0.113 0.000 0.807 515 L CB 0.019 42.139 42.059 0.103 0.000 0.927 515 L HN 0.256 nan 8.230 nan 0.000 0.447 516 D N -0.566 119.860 120.400 0.043 0.000 2.221 516 D HA -0.233 4.397 4.640 -0.015 0.000 0.204 516 D C 1.900 178.220 176.300 0.032 0.000 0.982 516 D CA 0.944 54.955 54.000 0.019 0.000 0.857 516 D CB 0.050 40.849 40.800 -0.002 0.000 0.934 516 D HN 0.536 nan 8.370 nan 0.000 0.475 517 Q N -0.025 119.811 119.800 0.058 0.000 2.368 517 Q HA -0.079 4.251 4.340 -0.015 0.000 0.210 517 Q C 2.272 178.289 176.000 0.028 0.000 0.982 517 Q CA 0.296 56.134 55.803 0.059 0.000 0.884 517 Q CB -0.032 28.767 28.738 0.101 0.000 0.933 517 Q HN 0.393 nan 8.270 nan 0.000 0.460 518 L N 0.064 121.299 121.223 0.021 0.000 2.353 518 L HA -0.193 4.138 4.340 -0.015 0.000 0.220 518 L C 2.264 179.127 176.870 -0.012 0.000 1.133 518 L CA 0.814 55.633 54.840 -0.036 0.000 0.798 518 L CB -0.343 41.707 42.059 -0.015 0.000 0.922 518 L HN 0.222 nan 8.230 nan 0.000 0.445 519 R N 0.468 120.973 120.500 0.008 0.000 2.117 519 R HA -0.204 4.127 4.340 -0.015 0.000 0.243 519 R C 2.142 178.449 176.300 0.012 0.000 1.143 519 R CA 1.327 57.434 56.100 0.011 0.000 0.968 519 R CB -0.286 30.018 30.300 0.007 0.000 0.863 519 R HN 0.375 nan 8.270 nan 0.000 0.444 520 K N 0.622 121.028 120.400 0.010 0.000 2.228 520 K HA -0.169 4.141 4.320 -0.015 0.000 0.205 520 K C 1.894 178.537 176.600 0.073 0.000 1.045 520 K CA 1.099 57.404 56.287 0.029 0.000 0.931 520 K CB -0.210 32.308 32.500 0.030 0.000 0.727 520 K HN 0.242 nan 8.250 nan 0.000 0.458 521 L N 0.430 121.668 121.223 0.026 0.000 2.376 521 L HA -0.134 4.197 4.340 -0.015 0.000 0.219 521 L C 1.877 178.805 176.870 0.098 0.000 1.133 521 L CA 0.025 54.880 54.840 0.027 0.000 0.816 521 L CB -0.225 41.804 42.059 -0.050 0.000 0.933 521 L HN 0.141 nan 8.230 nan 0.000 0.449 522 L N 0.118 121.377 121.223 0.059 0.000 2.127 522 L HA -0.194 4.137 4.340 -0.015 0.000 0.211 522 L C 2.669 179.541 176.870 0.004 0.000 1.089 522 L CA 1.979 56.843 54.840 0.040 0.000 0.757 522 L CB -0.979 41.090 42.059 0.017 0.000 0.899 522 L HN 0.359 nan 8.230 nan 0.000 0.434 523 S N -2.634 113.035 115.700 -0.052 0.000 2.720 523 S HA -0.070 4.390 4.470 -0.015 0.000 0.222 523 S C 1.125 175.479 174.600 -0.411 0.000 0.958 523 S CA 0.219 58.291 58.200 -0.214 0.000 0.943 523 S CB -0.551 62.482 63.200 -0.280 0.000 0.779 523 S HN 0.475 nan 8.310 nan 0.000 0.526 524 Y N -0.872 119.356 120.300 -0.121 0.000 2.500 524 Y HA 0.412 4.959 4.550 -0.004 0.000 0.246 524 Y C 1.895 177.818 175.900 0.039 0.000 1.146 524 Y CA -0.488 57.529 58.100 -0.138 0.000 1.230 524 Y CB 0.322 38.479 38.460 -0.505 0.000 1.214 524 Y HN 0.284 nan 8.280 nan 0.000 0.526 525 V N 0.415 120.417 119.914 0.148 0.000 2.720 525 V HA -0.202 3.908 4.120 -0.015 0.000 0.256 525 V C 0.954 177.115 176.094 0.113 0.000 1.082 525 V CA 2.201 64.590 62.300 0.149 0.000 1.101 525 V CB -0.026 31.850 31.823 0.087 0.000 0.693 525 V HN 0.339 nan 8.190 nan 0.000 0.479 526 D N -0.551 119.893 120.400 0.073 0.000 2.395 526 D HA 0.109 4.740 4.640 -0.015 0.000 0.213 526 D C 0.307 176.648 176.300 0.068 0.000 1.110 526 D CA 0.003 54.035 54.000 0.053 0.000 0.835 526 D CB 0.168 40.977 40.800 0.015 0.000 0.965 526 D HN 0.459 nan 8.370 nan 0.000 0.505 527 D N 1.402 121.876 120.400 0.123 0.000 2.316 527 D HA -0.010 4.621 4.640 -0.015 0.000 0.245 527 D C 1.052 177.456 176.300 0.172 0.000 1.171 527 D CA -0.066 54.026 54.000 0.154 0.000 0.856 527 D CB 1.812 42.763 40.800 0.252 0.000 1.090 527 D HN -0.186 nan 8.370 nan 0.000 0.476 528 E N 3.074 123.342 120.200 0.113 0.000 2.150 528 E HA -0.108 4.233 4.350 -0.015 0.000 0.193 528 E C 1.707 178.364 176.600 0.095 0.000 0.985 528 E CA 1.250 57.702 56.400 0.087 0.000 0.814 528 E CB 0.063 29.796 29.700 0.055 0.000 0.752 528 E HN 0.583 nan 8.360 nan 0.000 0.466 529 A N -0.270 122.623 122.820 0.122 0.000 1.872 529 A HA -0.111 4.200 4.320 -0.015 0.000 0.214 529 A C 2.171 179.844 177.584 0.148 0.000 1.187 529 A CA 1.159 53.265 52.037 0.115 0.000 0.614 529 A CB -0.932 18.139 19.000 0.119 0.000 0.826 529 A HN 0.437 nan 8.150 nan 0.000 0.442 530 F N 0.543 120.518 119.950 0.042 0.000 2.102 530 F HA -0.182 4.337 4.527 -0.014 0.000 0.298 530 F C 2.053 177.864 175.800 0.019 0.000 1.105 530 F CA 1.729 59.741 58.000 0.019 0.000 1.239 530 F CB -0.129 38.899 39.000 0.047 0.000 0.991 530 F HN 0.170 nan 8.300 nan 0.000 0.474 531 I N 0.274 120.885 120.570 0.068 0.000 2.151 531 I HA -0.374 3.787 4.170 -0.015 0.000 0.243 531 I C 2.600 178.669 176.117 -0.079 0.000 1.080 531 I CA 1.851 63.134 61.300 -0.027 0.000 1.339 531 I CB -0.577 37.452 38.000 0.047 0.000 1.039 531 I HN 0.125 nan 8.210 nan 0.000 0.409 532 R N 0.972 121.450 120.500 -0.037 0.000 2.081 532 R HA -0.205 4.126 4.340 -0.015 0.000 0.235 532 R C 1.849 178.100 176.300 -0.081 0.000 1.131 532 R CA 2.082 58.156 56.100 -0.042 0.000 0.960 532 R CB -0.218 30.076 30.300 -0.010 0.000 0.856 532 R HN 0.293 nan 8.270 nan 0.000 0.436 533 D N -0.064 120.266 120.400 -0.117 0.000 2.097 533 D HA -0.113 4.517 4.640 -0.015 0.000 0.197 533 D C 2.032 178.196 176.300 -0.226 0.000 0.984 533 D CA 1.390 55.300 54.000 -0.149 0.000 0.826 533 D CB -0.273 40.450 40.800 -0.128 0.000 0.973 533 D HN 0.102 nan 8.370 nan 0.000 0.460 534 V N 1.637 121.314 119.914 -0.395 0.000 2.282 534 V HA -0.276 3.835 4.120 -0.015 0.000 0.249 534 V C 2.514 178.513 176.094 -0.159 0.000 1.057 534 V CA 2.046 64.135 62.300 -0.351 0.000 1.032 534 V CB -0.836 30.706 31.823 -0.468 0.000 0.645 534 V HN 0.202 nan 8.190 nan 0.000 0.447 535 A N -0.836 121.912 122.820 -0.119 0.000 2.015 535 A HA -0.203 4.107 4.320 -0.015 0.000 0.219 535 A C 2.344 179.893 177.584 -0.059 0.000 1.163 535 A CA 1.873 53.876 52.037 -0.058 0.000 0.646 535 A CB -0.396 18.576 19.000 -0.047 0.000 0.806 535 A HN 0.543 nan 8.150 nan 0.000 0.448 536 K N -0.276 120.083 120.400 -0.069 0.000 2.062 536 K HA -0.032 4.279 4.320 -0.015 0.000 0.205 536 K C 1.792 178.366 176.600 -0.044 0.000 1.051 536 K CA 1.310 57.566 56.287 -0.052 0.000 0.941 536 K CB -0.197 32.275 32.500 -0.048 0.000 0.719 536 K HN 0.199 nan 8.250 nan 0.000 0.440 537 V N 1.906 121.788 119.914 -0.055 0.000 2.332 537 V HA -0.251 3.860 4.120 -0.015 0.000 0.248 537 V C 2.359 178.439 176.094 -0.024 0.000 1.055 537 V CA 1.967 64.244 62.300 -0.038 0.000 1.038 537 V CB -0.434 31.358 31.823 -0.050 0.000 0.651 537 V HN 0.344 nan 8.190 nan 0.000 0.450 538 K N 0.324 120.709 120.400 -0.026 0.000 2.057 538 K HA -0.233 4.078 4.320 -0.015 0.000 0.207 538 K C 2.146 178.723 176.600 -0.038 0.000 1.049 538 K CA 1.809 58.089 56.287 -0.013 0.000 0.931 538 K CB -0.460 32.050 32.500 0.016 0.000 0.714 538 K HN 0.401 nan 8.250 nan 0.000 0.440 539 Q N 0.957 120.729 119.800 -0.047 0.000 2.079 539 Q HA -0.095 4.236 4.340 -0.015 0.000 0.200 539 Q C 1.688 177.671 176.000 -0.028 0.000 0.974 539 Q CA 1.929 57.697 55.803 -0.060 0.000 0.840 539 Q CB -0.094 28.612 28.738 -0.054 0.000 0.898 539 Q HN 0.493 nan 8.270 nan 0.000 0.430 540 E N -0.338 119.856 120.200 -0.010 0.000 2.058 540 E HA -0.192 4.149 4.350 -0.015 0.000 0.194 540 E C 1.809 178.433 176.600 0.040 0.000 0.997 540 E CA 1.127 57.535 56.400 0.014 0.000 0.801 540 E CB -0.132 29.573 29.700 0.010 0.000 0.746 540 E HN 0.407 nan 8.360 nan 0.000 0.450 541 N N 0.971 119.692 118.700 0.035 0.000 2.104 541 N HA -0.162 4.569 4.740 -0.015 0.000 0.190 541 N C 1.562 177.150 175.510 0.130 0.000 1.024 541 N CA 1.176 54.266 53.050 0.067 0.000 0.853 541 N CB -0.147 38.363 38.487 0.039 0.000 1.008 541 N HN 0.152 nan 8.380 nan 0.000 0.424 542 K N 0.449 120.888 120.400 0.065 0.000 2.097 542 K HA 0.019 4.330 4.320 -0.015 0.000 0.205 542 K C 2.139 178.865 176.600 0.209 0.000 1.050 542 K CA 0.610 56.946 56.287 0.081 0.000 0.938 542 K CB -0.145 32.135 32.500 -0.367 0.000 0.718 542 K HN 0.103 nan 8.250 nan 0.000 0.442 543 L N 1.220 122.510 121.223 0.112 0.000 2.056 543 L HA -0.171 4.160 4.340 -0.015 0.000 0.207 543 L C 2.597 179.559 176.870 0.152 0.000 1.078 543 L CA 1.258 56.170 54.840 0.120 0.000 0.749 543 L CB -0.264 41.834 42.059 0.066 0.000 0.901 543 L HN 0.137 nan 8.230 nan 0.000 0.433 544 K N -0.302 120.193 120.400 0.158 0.000 2.057 544 K HA -0.240 4.070 4.320 -0.015 0.000 0.207 544 K C 2.195 178.942 176.600 0.244 0.000 1.049 544 K CA 1.655 58.043 56.287 0.168 0.000 0.931 544 K CB -0.159 32.426 32.500 0.141 0.000 0.714 544 K HN 0.102 nan 8.250 nan 0.000 0.440 545 F N 1.128 121.177 119.950 0.165 0.000 2.186 545 F HA -0.036 4.482 4.527 -0.015 0.000 0.299 545 F C 1.984 177.930 175.800 0.242 0.000 1.090 545 F CA 1.178 59.302 58.000 0.207 0.000 1.307 545 F CB -0.382 38.746 39.000 0.212 0.000 1.019 545 F HN 0.069 nan 8.300 nan 0.000 0.489 546 A N 0.207 123.163 122.820 0.227 0.000 1.972 546 A HA -0.060 4.250 4.320 -0.015 0.000 0.219 546 A C 2.379 179.957 177.584 -0.010 0.000 1.169 546 A CA 1.689 53.783 52.037 0.094 0.000 0.635 546 A CB -1.432 17.702 19.000 0.224 0.000 0.810 546 A HN 0.453 nan 8.150 nan 0.000 0.446 547 A N -1.659 121.186 122.820 0.042 0.000 1.929 547 A HA -0.035 4.276 4.320 -0.015 0.000 0.216 547 A C 2.095 179.667 177.584 -0.019 0.000 1.176 547 A CA 1.423 53.468 52.037 0.013 0.000 0.628 547 A CB -0.740 18.293 19.000 0.055 0.000 0.816 547 A HN 0.727 nan 8.150 nan 0.000 0.444 548 Y N 0.557 120.782 120.300 -0.124 0.000 2.181 548 Y HA -0.166 4.375 4.550 -0.015 0.000 0.288 548 Y C 1.920 177.707 175.900 -0.188 0.000 1.146 548 Y CA 1.818 59.830 58.100 -0.146 0.000 1.164 548 Y CB -0.192 38.186 38.460 -0.137 0.000 0.982 548 Y HN 0.210 nan 8.280 nan 0.000 0.515 549 L N -0.010 121.042 121.223 -0.286 0.000 2.046 549 L HA -0.206 4.125 4.340 -0.015 0.000 0.208 549 L C 2.422 179.150 176.870 -0.237 0.000 1.077 549 L CA 1.719 56.397 54.840 -0.271 0.000 0.747 549 L CB -0.547 41.331 42.059 -0.303 0.000 0.896 549 L HN 0.322 nan 8.230 nan 0.000 0.432 550 E N -0.113 119.932 120.200 -0.257 0.000 2.051 550 E HA -0.211 4.129 4.350 -0.015 0.000 0.192 550 E C 2.364 178.824 176.600 -0.234 0.000 0.991 550 E CA 1.072 57.294 56.400 -0.297 0.000 0.799 550 E CB 0.014 29.540 29.700 -0.291 0.000 0.748 550 E HN 0.404 nan 8.360 nan 0.000 0.449 551 R N 0.316 120.680 120.500 -0.226 0.000 2.075 551 R HA -0.121 4.210 4.340 -0.015 0.000 0.232 551 R C 2.106 178.228 176.300 -0.297 0.000 1.126 551 R CA 1.201 57.175 56.100 -0.209 0.000 0.963 551 R CB 0.005 30.208 30.300 -0.161 0.000 0.858 551 R HN 0.021 nan 8.270 nan 0.000 0.435 552 E N -1.302 118.607 120.200 -0.485 0.000 2.251 552 E HA -0.009 4.332 4.350 -0.015 0.000 0.194 552 E C 0.178 176.317 176.600 -0.769 0.000 0.964 552 E CA 0.738 56.716 56.400 -0.703 0.000 0.868 552 E CB 0.454 29.479 29.700 -1.124 0.000 0.828 552 E HN 0.274 nan 8.360 nan 0.000 0.481 553 Y N -0.093 120.043 120.300 -0.274 0.000 2.626 553 Y HA 0.311 4.852 4.550 -0.016 0.000 0.248 553 Y C -0.214 175.607 175.900 -0.130 0.000 1.147 553 Y CA -0.606 57.395 58.100 -0.165 0.000 1.219 553 Y CB 0.872 39.244 38.460 -0.148 0.000 1.279 553 Y HN -0.254 nan 8.280 nan 0.000 0.541 554 K N 0.709 121.072 120.400 -0.062 0.000 3.177 554 K HA -0.146 4.164 4.320 -0.015 0.000 0.266 554 K C -0.495 176.069 176.600 -0.059 0.000 0.937 554 K CA 0.875 57.118 56.287 -0.072 0.000 0.702 554 K CB -2.113 30.387 32.500 0.000 0.000 1.365 554 K HN 0.283 nan 8.250 nan 0.000 0.466 555 V N -2.382 117.449 119.914 -0.140 0.000 2.628 555 V HA 0.566 4.676 4.120 -0.015 0.000 0.306 555 V C -0.015 175.936 176.094 -0.238 0.000 1.045 555 V CA -1.011 61.237 62.300 -0.087 0.000 0.905 555 V CB 1.980 33.781 31.823 -0.035 0.000 0.997 555 V HN 0.275 nan 8.190 nan 0.000 0.436 556 H N 4.759 123.818 119.070 -0.018 0.000 2.541 556 H HA 0.769 5.316 4.556 -0.015 0.000 0.316 556 H C -0.017 175.302 175.328 -0.015 0.000 1.043 556 H CA -0.207 55.834 56.048 -0.012 0.000 1.232 556 H CB 1.489 31.250 29.762 -0.002 0.000 1.406 556 H HN 0.953 nan 8.280 nan 0.000 0.469 557 I N -0.365 120.250 120.570 0.075 0.000 2.740 557 I HA 0.498 4.659 4.170 -0.015 0.000 0.303 557 I C -0.305 175.892 176.117 0.132 0.000 1.044 557 I CA -1.347 59.995 61.300 0.071 0.000 1.064 557 I CB 2.141 40.141 38.000 0.000 0.000 1.249 557 I HN 0.332 nan 8.210 nan 0.000 0.433 558 N N 5.268 124.052 118.700 0.140 0.000 2.401 558 N HA 0.367 5.098 4.740 -0.015 0.000 0.255 558 N C -2.008 173.650 175.510 0.246 0.000 1.110 558 N CA -2.321 50.820 53.050 0.153 0.000 0.949 558 N CB 0.971 39.520 38.487 0.103 0.000 1.110 558 N HN 0.390 nan 8.380 nan 0.000 0.490 559 P HA 0.068 nan 4.420 nan 0.000 0.237 559 P C -0.102 177.190 177.300 -0.014 0.000 1.178 559 P CA 0.823 64.017 63.100 0.157 0.000 0.766 559 P CB 0.239 32.005 31.700 0.109 0.000 0.876 560 N N -1.062 117.663 118.700 0.043 0.000 2.422 560 N HA -0.017 4.714 4.740 -0.015 0.000 0.181 560 N C 0.470 176.011 175.510 0.051 0.000 1.080 560 N CA 0.036 53.098 53.050 0.020 0.000 0.893 560 N CB -0.061 38.448 38.487 0.036 0.000 0.973 560 N HN 0.134 nan 8.380 nan 0.000 0.456 561 S N 0.217 115.965 115.700 0.081 0.000 2.600 561 S HA 0.155 4.616 4.470 -0.015 0.000 0.265 561 S C 0.102 174.683 174.600 -0.032 0.000 1.325 561 S CA -0.903 57.332 58.200 0.058 0.000 1.002 561 S CB 0.914 64.174 63.200 0.100 0.000 0.921 561 S HN 0.212 nan 8.310 nan 0.000 0.554 562 L N 1.911 122.965 121.223 -0.281 0.000 2.410 562 L HA 0.367 4.698 4.340 -0.015 0.000 0.273 562 L C -0.865 175.993 176.870 -0.020 0.000 1.144 562 L CA -0.545 53.947 54.840 -0.580 0.000 0.863 562 L CB -0.193 41.209 42.059 -1.094 0.000 1.140 562 L HN 0.703 nan 8.230 nan 0.000 0.463 563 F N 4.299 124.127 119.950 -0.204 0.000 2.405 563 F HA 0.098 4.617 4.527 -0.014 0.000 0.358 563 F C 0.422 176.164 175.800 -0.097 0.000 1.151 563 F CA -0.825 57.121 58.000 -0.089 0.000 1.161 563 F CB 0.495 39.488 39.000 -0.012 0.000 1.245 563 F HN 0.535 nan 8.300 nan 0.000 0.545 564 D N 4.729 125.139 120.400 0.017 0.000 2.396 564 D HA 0.211 4.841 4.640 -0.015 0.000 0.225 564 D C -1.109 175.142 176.300 -0.082 0.000 1.121 564 D CA -0.034 53.933 54.000 -0.056 0.000 0.853 564 D CB 1.509 42.259 40.800 -0.082 0.000 1.043 564 D HN 0.250 nan 8.370 nan 0.000 0.500 565 V N 4.295 124.146 119.914 -0.106 0.000 2.531 565 V HA 0.460 4.571 4.120 -0.015 0.000 0.301 565 V C -1.335 174.622 176.094 -0.229 0.000 1.034 565 V CA -0.620 61.601 62.300 -0.131 0.000 0.865 565 V CB 1.737 33.545 31.823 -0.026 0.000 0.995 565 V HN 0.576 nan 8.190 nan 0.000 0.424 566 Q N 5.423 125.099 119.800 -0.207 0.000 2.401 566 Q HA 0.658 4.989 4.340 -0.015 0.000 0.260 566 Q C -1.429 174.408 176.000 -0.271 0.000 1.034 566 Q CA -0.613 55.051 55.803 -0.232 0.000 0.737 566 Q CB 1.784 30.413 28.738 -0.183 0.000 1.227 566 Q HN 0.949 nan 8.270 nan 0.000 0.488 567 V N 1.658 121.402 119.914 -0.284 0.000 2.487 567 V HA 0.880 4.991 4.120 -0.015 0.000 0.298 567 V C -0.932 174.914 176.094 -0.413 0.000 1.028 567 V CA -0.547 61.407 62.300 -0.576 0.000 0.860 567 V CB 1.192 32.424 31.823 -0.985 0.000 0.991 567 V HN 0.863 nan 8.190 nan 0.000 0.427 568 K N 2.557 122.749 120.400 -0.347 0.000 3.191 568 K HA 0.399 4.710 4.320 -0.015 0.000 0.325 568 K C -1.289 175.320 176.600 0.016 0.000 1.105 568 K CA -1.201 55.065 56.287 -0.035 0.000 0.843 568 K CB 0.774 33.234 32.500 -0.067 0.000 1.452 568 K HN 0.461 nan 8.250 nan 0.000 0.393 569 R N 0.932 121.483 120.500 0.085 0.000 2.623 569 R HA 0.174 4.505 4.340 -0.015 0.000 0.271 569 R C 0.301 176.624 176.300 0.038 0.000 1.043 569 R CA -0.379 55.784 56.100 0.104 0.000 1.083 569 R CB -0.123 30.268 30.300 0.151 0.000 0.974 569 R HN 0.476 nan 8.270 nan 0.000 0.436 570 I N 4.533 125.132 120.570 0.049 0.000 2.494 570 I HA 0.052 4.213 4.170 -0.015 0.000 0.289 570 I C 0.779 176.853 176.117 -0.071 0.000 1.106 570 I CA 0.619 61.897 61.300 -0.037 0.000 1.369 570 I CB -0.661 37.310 38.000 -0.048 0.000 1.410 570 I HN 0.301 nan 8.210 nan 0.000 0.523 571 H N 5.093 124.049 119.070 -0.190 0.000 2.961 571 H HA 0.260 4.806 4.556 -0.015 0.000 0.371 571 H C 0.490 175.682 175.328 -0.227 0.000 1.190 571 H CA -0.415 55.555 56.048 -0.131 0.000 1.138 571 H CB 2.030 31.723 29.762 -0.114 0.000 1.816 571 H HN 0.542 nan 8.280 nan 0.000 0.551 572 E N 1.740 122.006 120.200 0.110 0.000 2.077 572 E HA -0.233 4.108 4.350 -0.015 0.000 0.193 572 E C 1.424 177.834 176.600 -0.316 0.000 0.989 572 E CA 1.781 58.203 56.400 0.037 0.000 0.800 572 E CB -0.068 29.822 29.700 0.317 0.000 0.746 572 E HN 0.579 nan 8.360 nan 0.000 0.452 573 Y N 0.855 120.725 120.300 -0.717 0.000 2.352 573 Y HA -0.031 4.509 4.550 -0.016 0.000 0.292 573 Y C 1.505 177.135 175.900 -0.449 0.000 1.136 573 Y CA 0.891 58.302 58.100 -1.149 0.000 1.227 573 Y CB -0.124 37.642 38.460 -1.157 0.000 0.991 573 Y HN -0.209 nan 8.280 nan 0.000 0.545 574 K N 0.773 120.672 120.400 -0.834 0.000 2.432 574 K HA 0.041 4.352 4.320 -0.015 0.000 0.196 574 K C 0.111 176.531 176.600 -0.300 0.000 1.038 574 K CA 0.525 56.454 56.287 -0.596 0.000 0.986 574 K CB -0.072 32.075 32.500 -0.588 0.000 0.782 574 K HN 0.261 nan 8.250 nan 0.000 0.485 575 R N 0.548 120.904 120.500 -0.241 0.000 3.264 575 R HA -0.235 4.096 4.340 -0.015 0.000 0.251 575 R C 0.244 176.460 176.300 -0.141 0.000 0.971 575 R CA 0.155 56.166 56.100 -0.148 0.000 0.658 575 R CB -1.739 28.493 30.300 -0.114 0.000 1.095 575 R HN 0.302 nan 8.270 nan 0.000 0.443 576 Q N 0.299 120.016 119.800 -0.138 0.000 2.234 576 Q HA -0.068 4.263 4.340 -0.015 0.000 0.206 576 Q C 2.013 177.960 176.000 -0.088 0.000 0.980 576 Q CA 1.437 57.174 55.803 -0.111 0.000 0.869 576 Q CB 0.035 28.713 28.738 -0.100 0.000 0.912 576 Q HN 0.598 nan 8.270 nan 0.000 0.436 577 L N -0.730 120.444 121.223 -0.082 0.000 2.141 577 L HA -0.154 4.176 4.340 -0.015 0.000 0.209 577 L C 1.967 178.830 176.870 -0.012 0.000 1.094 577 L CA 0.370 55.176 54.840 -0.057 0.000 0.763 577 L CB -0.324 41.711 42.059 -0.040 0.000 0.908 577 L HN 0.298 nan 8.230 nan 0.000 0.437 578 L N 0.249 121.452 121.223 -0.033 0.000 2.017 578 L HA -0.248 4.082 4.340 -0.015 0.000 0.208 578 L C 2.064 178.952 176.870 0.029 0.000 1.073 578 L CA 1.963 56.781 54.840 -0.037 0.000 0.745 578 L CB -0.831 41.094 42.059 -0.223 0.000 0.894 578 L HN 0.277 nan 8.230 nan 0.000 0.432 579 N N -1.645 117.046 118.700 -0.016 0.000 2.061 579 N HA -0.266 4.465 4.740 -0.015 0.000 0.193 579 N C 1.967 177.546 175.510 0.116 0.000 1.030 579 N CA 1.863 54.987 53.050 0.124 0.000 0.856 579 N CB -0.178 38.322 38.487 0.022 0.000 1.023 579 N HN 0.501 nan 8.380 nan 0.000 0.424 580 C N 0.409 119.716 119.300 0.013 0.000 2.413 580 C HA -0.090 4.361 4.460 -0.015 0.000 0.277 580 C C 2.553 177.527 174.990 -0.026 0.000 1.265 580 C CA 0.431 59.413 59.018 -0.059 0.000 1.752 580 C CB -1.245 26.410 27.740 -0.140 0.000 1.998 580 C HN 0.504 nan 8.230 nan 0.000 0.489 581 L N -0.616 120.654 121.223 0.078 0.000 2.093 581 L HA -0.159 4.172 4.340 -0.015 0.000 0.208 581 L C 2.742 179.759 176.870 0.245 0.000 1.085 581 L CA 1.589 56.523 54.840 0.157 0.000 0.755 581 L CB -0.997 41.222 42.059 0.267 0.000 0.904 581 L HN 0.583 nan 8.230 nan 0.000 0.435 582 H N 0.034 119.203 119.070 0.165 0.000 2.299 582 H HA -0.141 4.406 4.556 -0.015 0.000 0.302 582 H C 2.263 177.584 175.328 -0.013 0.000 1.078 582 H CA 1.937 58.008 56.048 0.038 0.000 1.323 582 H CB 0.286 30.022 29.762 -0.043 0.000 1.381 582 H HN 0.066 nan 8.280 nan 0.000 0.498 583 V N 1.575 121.415 119.914 -0.123 0.000 2.324 583 V HA -0.297 3.813 4.120 -0.015 0.000 0.250 583 V C 2.802 178.827 176.094 -0.114 0.000 1.060 583 V CA 2.069 64.263 62.300 -0.177 0.000 1.042 583 V CB -0.531 31.235 31.823 -0.095 0.000 0.650 583 V HN 0.399 nan 8.190 nan 0.000 0.450 584 I N -0.533 120.000 120.570 -0.063 0.000 2.439 584 I HA -0.182 3.979 4.170 -0.015 0.000 0.251 584 I C 2.463 178.629 176.117 0.081 0.000 1.139 584 I CA 1.527 62.850 61.300 0.037 0.000 1.438 584 I CB -0.580 37.405 38.000 -0.026 0.000 1.085 584 I HN 0.311 nan 8.210 nan 0.000 0.427 585 T N 1.185 115.745 114.554 0.009 0.000 2.708 585 T HA -0.145 4.196 4.350 -0.015 0.000 0.266 585 T C 1.884 176.536 174.700 -0.080 0.000 1.037 585 T CA 1.197 63.294 62.100 -0.004 0.000 1.146 585 T CB -0.257 68.631 68.868 0.033 0.000 0.865 585 T HN 0.069 nan 8.240 nan 0.000 0.435 586 L N 0.205 121.307 121.223 -0.201 0.000 2.012 586 L HA -0.064 4.267 4.340 -0.015 0.000 0.210 586 L C 2.118 178.945 176.870 -0.072 0.000 1.073 586 L CA 1.642 56.362 54.840 -0.199 0.000 0.748 586 L CB -1.094 40.771 42.059 -0.323 0.000 0.891 586 L HN 0.356 nan 8.230 nan 0.000 0.431 587 Y N 0.358 120.593 120.300 -0.107 0.000 2.128 587 Y HA -0.312 4.229 4.550 -0.016 0.000 0.284 587 Y C 2.465 178.346 175.900 -0.031 0.000 1.154 587 Y CA 2.000 60.079 58.100 -0.036 0.000 1.149 587 Y CB -0.156 38.330 38.460 0.044 0.000 0.976 587 Y HN 0.293 nan 8.280 nan 0.000 0.505 588 N N 0.355 119.029 118.700 -0.044 0.000 2.223 588 N HA -0.133 4.598 4.740 -0.015 0.000 0.185 588 N C 1.839 177.248 175.510 -0.169 0.000 1.016 588 N CA 1.411 54.373 53.050 -0.146 0.000 0.863 588 N CB -0.341 38.116 38.487 -0.050 0.000 0.983 588 N HN 0.453 nan 8.380 nan 0.000 0.429 589 R N 0.408 120.829 120.500 -0.130 0.000 2.075 589 R HA 0.090 4.421 4.340 -0.015 0.000 0.232 589 R C 2.244 178.459 176.300 -0.141 0.000 1.126 589 R CA 0.725 56.754 56.100 -0.119 0.000 0.963 589 R CB -0.233 30.006 30.300 -0.101 0.000 0.858 589 R HN 0.203 nan 8.270 nan 0.000 0.435 590 I N 0.999 121.464 120.570 -0.175 0.000 2.179 590 I HA -0.294 3.867 4.170 -0.015 0.000 0.242 590 I C 2.139 178.134 176.117 -0.204 0.000 1.088 590 I CA 1.303 62.495 61.300 -0.179 0.000 1.357 590 I CB -0.165 37.728 38.000 -0.178 0.000 1.051 590 I HN 0.030 nan 8.210 nan 0.000 0.409 591 K N 0.681 120.894 120.400 -0.311 0.000 2.209 591 K HA -0.185 4.126 4.320 -0.015 0.000 0.204 591 K C 2.013 178.513 176.600 -0.167 0.000 1.048 591 K CA 1.076 57.195 56.287 -0.279 0.000 0.940 591 K CB -0.217 32.032 32.500 -0.417 0.000 0.729 591 K HN 0.330 nan 8.250 nan 0.000 0.451 592 K N 1.112 121.422 120.400 -0.149 0.000 2.044 592 K HA -0.064 4.247 4.320 -0.015 0.000 0.204 592 K C 0.209 176.762 176.600 -0.078 0.000 1.049 592 K CA 1.025 57.252 56.287 -0.101 0.000 0.945 592 K CB 0.346 32.792 32.500 -0.091 0.000 0.724 592 K HN 0.027 nan 8.250 nan 0.000 0.440 593 E N 0.402 120.554 120.200 -0.081 0.000 3.167 593 E HA 0.115 4.456 4.350 -0.015 0.000 0.212 593 E C -2.283 174.281 176.600 -0.061 0.000 1.143 593 E CA -1.661 54.704 56.400 -0.059 0.000 1.002 593 E CB 1.615 31.286 29.700 -0.048 0.000 1.315 593 E HN 0.175 nan 8.360 nan 0.000 0.422 594 P HA -0.119 nan 4.420 nan 0.000 0.218 594 P C 0.221 177.500 177.300 -0.035 0.000 1.149 594 P CA 1.165 64.230 63.100 -0.059 0.000 0.817 594 P CB 0.212 31.881 31.700 -0.051 0.000 0.785 595 N N -1.155 117.533 118.700 -0.019 0.000 2.276 595 N HA 0.028 4.759 4.740 -0.015 0.000 0.212 595 N C 0.509 176.032 175.510 0.021 0.000 1.127 595 N CA -0.121 52.930 53.050 0.002 0.000 0.834 595 N CB 0.133 38.622 38.487 0.003 0.000 1.014 595 N HN 0.018 nan 8.380 nan 0.000 0.491 596 K N 1.019 121.426 120.400 0.012 0.000 2.118 596 K HA 0.178 4.489 4.320 -0.015 0.000 0.267 596 K C -0.947 175.693 176.600 0.066 0.000 0.991 596 K CA -0.583 55.727 56.287 0.038 0.000 0.916 596 K CB 0.791 33.294 32.500 0.005 0.000 1.041 596 K HN -0.061 nan 8.250 nan 0.000 0.455 597 F N 4.069 124.004 119.950 -0.026 0.000 2.456 597 F HA 0.234 4.751 4.527 -0.015 0.000 0.358 597 F C -0.393 175.390 175.800 -0.028 0.000 1.095 597 F CA -0.229 57.757 58.000 -0.024 0.000 1.216 597 F CB 0.668 39.657 39.000 -0.019 0.000 1.125 597 F HN 0.168 nan 8.300 nan 0.000 0.549 598 V N 4.272 123.657 119.914 -0.881 0.000 2.789 598 V HA 0.554 4.665 4.120 -0.015 0.000 0.311 598 V C -0.770 174.713 176.094 -1.018 0.000 1.073 598 V CA -1.197 60.680 62.300 -0.705 0.000 0.921 598 V CB 1.018 32.626 31.823 -0.358 0.000 1.009 598 V HN 0.573 nan 8.190 nan 0.000 0.426 599 V N 5.600 125.174 119.914 -0.567 0.000 2.493 599 V HA 0.185 4.296 4.120 -0.015 0.000 0.292 599 V C -1.574 174.352 176.094 -0.280 0.000 1.016 599 V CA -0.420 61.686 62.300 -0.323 0.000 1.097 599 V CB 0.286 32.045 31.823 -0.107 0.000 0.947 599 V HN 0.931 nan 8.190 nan 0.000 0.479 600 P HA 0.302 nan 4.420 nan 0.000 0.271 600 P C -0.517 176.701 177.300 -0.136 0.000 1.216 600 P CA -0.181 62.830 63.100 -0.149 0.000 0.771 600 P CB 0.795 32.453 31.700 -0.071 0.000 0.864 601 R N 0.963 121.393 120.500 -0.116 0.000 2.686 601 R HA 0.515 4.846 4.340 -0.015 0.000 0.286 601 R C -0.487 175.783 176.300 -0.051 0.000 0.969 601 R CA -0.607 55.430 56.100 -0.105 0.000 0.898 601 R CB 1.948 32.170 30.300 -0.129 0.000 1.183 601 R HN 0.343 nan 8.270 nan 0.000 0.456 602 T N 2.264 116.810 114.554 -0.014 0.000 2.770 602 T HA 0.232 4.573 4.350 -0.015 0.000 0.297 602 T C -0.261 174.370 174.700 -0.115 0.000 0.997 602 T CA -0.484 61.568 62.100 -0.079 0.000 0.949 602 T CB 1.058 69.821 68.868 -0.175 0.000 0.941 602 T HN 0.131 nan 8.240 nan 0.000 0.457 603 V N 6.020 125.871 119.914 -0.105 0.000 2.368 603 V HA 0.383 4.494 4.120 -0.015 0.000 0.266 603 V C 0.086 176.111 176.094 -0.116 0.000 1.045 603 V CA -0.404 61.837 62.300 -0.098 0.000 0.899 603 V CB 0.476 32.256 31.823 -0.072 0.000 1.006 603 V HN 0.863 nan 8.190 nan 0.000 0.470 604 M N 6.744 126.263 119.600 -0.135 0.000 2.167 604 M HA 0.612 5.083 4.480 -0.015 0.000 0.333 604 M C -0.946 175.250 176.300 -0.174 0.000 1.030 604 M CA -0.150 55.058 55.300 -0.152 0.000 0.963 604 M CB 1.885 34.391 32.600 -0.158 0.000 1.589 604 M HN 0.409 nan 8.290 nan 0.000 0.431 605 I N 1.898 122.346 120.570 -0.203 0.000 2.465 605 I HA 0.830 4.991 4.170 -0.015 0.000 0.291 605 I C 0.130 175.911 176.117 -0.560 0.000 1.014 605 I CA -0.662 60.486 61.300 -0.253 0.000 1.093 605 I CB 2.251 40.197 38.000 -0.091 0.000 1.267 605 I HN 0.798 nan 8.210 nan 0.000 0.431 606 G N 2.953 111.394 108.800 -0.599 0.000 2.696 606 G HA2 0.828 4.779 3.960 -0.015 0.000 0.295 606 G HA3 0.828 4.779 3.960 -0.015 0.000 0.295 606 G C -0.998 173.596 174.900 -0.510 0.000 1.398 606 G CA -0.826 43.779 45.100 -0.824 0.000 0.920 606 G HN 0.990 nan 8.290 nan 0.000 0.492 607 G N -0.243 108.407 108.800 -0.250 0.000 2.352 607 G HA2 0.398 4.349 3.960 -0.015 0.000 0.303 607 G HA3 0.398 4.349 3.960 -0.015 0.000 0.303 607 G C -1.236 173.806 174.900 0.237 0.000 1.593 607 G CA -1.060 44.080 45.100 0.066 0.000 0.963 607 G HN 0.608 nan 8.290 nan 0.000 0.685 608 K N 0.005 120.541 120.400 0.227 0.000 2.118 608 K HA 0.718 5.029 4.320 -0.015 0.000 0.267 608 K C 0.362 177.115 176.600 0.255 0.000 0.991 608 K CA -0.074 56.368 56.287 0.257 0.000 0.916 608 K CB 1.871 34.422 32.500 0.084 0.000 1.041 608 K HN 0.856 nan 8.250 nan 0.000 0.455 609 A N 1.668 124.670 122.820 0.304 0.000 2.305 609 A HA 0.603 4.914 4.320 -0.015 0.000 0.322 609 A C -0.354 177.421 177.584 0.317 0.000 1.187 609 A CA -0.726 51.431 52.037 0.199 0.000 0.825 609 A CB 0.896 19.926 19.000 0.050 0.000 1.164 609 A HN 0.786 nan 8.150 nan 0.000 0.498 610 A N 4.034 127.027 122.820 0.289 0.000 2.546 610 A HA 0.429 4.740 4.320 -0.015 0.000 0.243 610 A C -1.304 176.365 177.584 0.141 0.000 1.063 610 A CA -0.647 51.554 52.037 0.273 0.000 0.757 610 A CB -0.379 18.765 19.000 0.239 0.000 0.991 610 A HN 0.616 nan 8.150 nan 0.000 0.503 611 P HA -0.165 nan 4.420 nan 0.000 0.217 611 P C 1.380 178.671 177.300 -0.015 0.000 1.151 611 P CA 2.082 65.122 63.100 -0.101 0.000 0.849 611 P CB 0.178 31.772 31.700 -0.177 0.000 0.787 612 G N -3.094 105.721 108.800 0.025 0.000 3.042 612 G HA2 -0.100 3.851 3.960 -0.015 0.000 0.212 612 G HA3 -0.100 3.851 3.960 -0.015 0.000 0.212 612 G C -0.103 174.836 174.900 0.064 0.000 1.166 612 G CA -0.151 44.967 45.100 0.029 0.000 0.767 612 G HN 0.310 nan 8.290 nan 0.000 0.546 613 Y N 1.817 122.065 120.300 -0.086 0.000 2.636 613 Y HA 0.169 4.710 4.550 -0.015 0.000 0.341 613 Y C 1.698 177.580 175.900 -0.030 0.000 1.169 613 Y CA -1.035 56.991 58.100 -0.123 0.000 1.498 613 Y CB 0.085 38.438 38.460 -0.179 0.000 1.362 613 Y HN 0.301 nan 8.280 nan 0.000 0.494 614 H N 4.141 123.337 119.070 0.210 0.000 2.290 614 H HA -0.224 4.322 4.556 -0.015 0.000 0.298 614 H C 1.822 177.198 175.328 0.081 0.000 1.087 614 H CA 2.340 58.456 56.048 0.114 0.000 1.291 614 H CB 0.338 30.155 29.762 0.091 0.000 1.369 614 H HN 0.727 nan 8.280 nan 0.000 0.492 615 M N 1.145 120.764 119.600 0.031 0.000 2.080 615 M HA -0.101 4.369 4.480 -0.015 0.000 0.260 615 M C 2.596 178.686 176.300 -0.349 0.000 1.068 615 M CA 1.967 57.197 55.300 -0.115 0.000 1.109 615 M CB -0.815 31.854 32.600 0.116 0.000 1.342 615 M HN 0.349 nan 8.290 nan 0.000 0.405 616 A N -0.466 121.911 122.820 -0.739 0.000 1.978 616 A HA -0.203 4.108 4.320 -0.015 0.000 0.220 616 A C 2.195 179.575 177.584 -0.339 0.000 1.170 616 A CA 1.890 53.487 52.037 -0.732 0.000 0.636 616 A CB -0.700 17.602 19.000 -1.164 0.000 0.810 616 A HN 0.599 nan 8.150 nan 0.000 0.448 617 K N -1.234 119.026 120.400 -0.233 0.000 2.155 617 K HA -0.036 4.274 4.320 -0.015 0.000 0.203 617 K C 1.915 178.475 176.600 -0.067 0.000 1.052 617 K CA 1.132 57.370 56.287 -0.082 0.000 0.948 617 K CB -0.205 32.309 32.500 0.023 0.000 0.728 617 K HN 0.358 nan 8.250 nan 0.000 0.448 618 M N 0.610 120.124 119.600 -0.144 0.000 2.132 618 M HA -0.082 4.388 4.480 -0.015 0.000 0.263 618 M C 2.168 178.408 176.300 -0.100 0.000 1.065 618 M CA 1.412 56.664 55.300 -0.080 0.000 1.122 618 M CB -0.696 31.844 32.600 -0.100 0.000 1.365 618 M HN 0.102 nan 8.290 nan 0.000 0.411 619 I N -0.058 120.418 120.570 -0.155 0.000 2.208 619 I HA -0.323 3.838 4.170 -0.015 0.000 0.245 619 I C 2.322 178.311 176.117 -0.213 0.000 1.097 619 I CA 1.172 62.368 61.300 -0.174 0.000 1.363 619 I CB -0.368 37.527 38.000 -0.175 0.000 1.051 619 I HN 0.187 nan 8.210 nan 0.000 0.413 620 I N 0.601 121.020 120.570 -0.252 0.000 2.226 620 I HA -0.308 3.853 4.170 -0.015 0.000 0.245 620 I C 2.593 178.413 176.117 -0.494 0.000 1.100 620 I CA 1.281 62.323 61.300 -0.430 0.000 1.374 620 I CB -0.294 37.428 38.000 -0.464 0.000 1.057 620 I HN 0.172 nan 8.210 nan 0.000 0.413 621 K N 1.491 121.621 120.400 -0.450 0.000 2.057 621 K HA -0.133 4.178 4.320 -0.015 0.000 0.206 621 K C 2.036 178.477 176.600 -0.264 0.000 1.050 621 K CA 1.405 57.348 56.287 -0.573 0.000 0.935 621 K CB -0.511 31.363 32.500 -1.044 0.000 0.715 621 K HN 0.216 nan 8.250 nan 0.000 0.439 622 L N 0.420 121.533 121.223 -0.183 0.000 2.012 622 L HA -0.179 4.152 4.340 -0.015 0.000 0.210 622 L C 2.197 178.856 176.870 -0.352 0.000 1.073 622 L CA 1.755 56.348 54.840 -0.412 0.000 0.748 622 L CB -0.315 41.413 42.059 -0.551 0.000 0.891 622 L HN 0.269 nan 8.230 nan 0.000 0.431 623 I N -0.192 120.213 120.570 -0.277 0.000 2.163 623 I HA -0.352 3.808 4.170 -0.015 0.000 0.243 623 I C 2.627 178.649 176.117 -0.160 0.000 1.085 623 I CA 2.014 63.201 61.300 -0.187 0.000 1.347 623 I CB -0.512 37.453 38.000 -0.058 0.000 1.044 623 I HN 0.451 nan 8.210 nan 0.000 0.408 624 T N -1.031 113.398 114.554 -0.208 0.000 2.821 624 T HA -0.050 4.291 4.350 -0.015 0.000 0.267 624 T C 2.008 176.649 174.700 -0.100 0.000 1.046 624 T CA 0.868 62.876 62.100 -0.153 0.000 1.139 624 T CB -0.531 68.201 68.868 -0.227 0.000 0.871 624 T HN 0.330 nan 8.240 nan 0.000 0.454 625 A N 1.514 124.273 122.820 -0.103 0.000 1.933 625 A HA 0.109 4.420 4.320 -0.015 0.000 0.218 625 A C 2.374 179.977 177.584 0.032 0.000 1.175 625 A CA 1.334 53.377 52.037 0.009 0.000 0.628 625 A CB -0.869 18.229 19.000 0.162 0.000 0.814 625 A HN 0.605 nan 8.150 nan 0.000 0.444 626 I N -0.387 120.109 120.570 -0.124 0.000 2.179 626 I HA -0.194 3.967 4.170 -0.015 0.000 0.242 626 I C 2.716 178.801 176.117 -0.053 0.000 1.088 626 I CA 1.163 62.371 61.300 -0.153 0.000 1.357 626 I CB -0.639 37.154 38.000 -0.345 0.000 1.051 626 I HN 0.387 nan 8.210 nan 0.000 0.409 627 G N 0.320 109.084 108.800 -0.060 0.000 2.442 627 G HA2 -0.248 3.702 3.960 -0.015 0.000 0.219 627 G HA3 -0.248 3.702 3.960 -0.015 0.000 0.219 627 G C 1.257 176.165 174.900 0.014 0.000 1.141 627 G CA 0.898 45.974 45.100 -0.041 0.000 0.763 627 G HN 0.286 nan 8.290 nan 0.000 0.554 628 D N 0.033 120.475 120.400 0.069 0.000 2.144 628 D HA -0.077 4.554 4.640 -0.015 0.000 0.199 628 D C 2.679 179.084 176.300 0.175 0.000 0.984 628 D CA 0.637 54.735 54.000 0.162 0.000 0.834 628 D CB -0.125 40.720 40.800 0.074 0.000 0.955 628 D HN 0.247 nan 8.370 nan 0.000 0.465 629 V N 0.091 120.042 119.914 0.062 0.000 2.379 629 V HA -0.115 3.995 4.120 -0.015 0.000 0.243 629 V C 2.527 178.580 176.094 -0.068 0.000 1.035 629 V CA 0.701 62.978 62.300 -0.039 0.000 1.035 629 V CB -0.019 31.726 31.823 -0.130 0.000 0.673 629 V HN 0.024 nan 8.190 nan 0.000 0.457 630 V N 0.825 120.661 119.914 -0.131 0.000 2.323 630 V HA -0.158 3.953 4.120 -0.015 0.000 0.244 630 V C 2.173 178.242 176.094 -0.042 0.000 1.041 630 V CA 1.890 64.119 62.300 -0.117 0.000 1.025 630 V CB -0.781 30.966 31.823 -0.127 0.000 0.656 630 V HN 0.555 nan 8.190 nan 0.000 0.451 631 N N -0.018 118.593 118.700 -0.148 0.000 2.459 631 N HA -0.093 4.638 4.740 -0.015 0.000 0.181 631 N C 1.057 176.292 175.510 -0.459 0.000 1.046 631 N CA 0.941 53.799 53.050 -0.320 0.000 0.904 631 N CB -0.295 37.926 38.487 -0.443 0.000 0.964 631 N HN 0.685 nan 8.380 nan 0.000 0.444 632 H N -1.349 117.728 119.070 0.013 0.000 2.512 632 H HA 0.243 4.790 4.556 -0.015 0.000 0.276 632 H C -0.674 174.670 175.328 0.027 0.000 1.126 632 H CA -0.498 55.557 56.048 0.011 0.000 1.060 632 H CB 0.401 30.160 29.762 -0.005 0.000 1.646 632 H HN -0.018 nan 8.280 nan 0.000 0.571 633 D N 2.243 122.713 120.400 0.117 0.000 2.359 633 D HA 0.054 4.685 4.640 -0.015 0.000 0.230 633 D C -1.493 174.859 176.300 0.087 0.000 1.118 633 D CA -2.093 51.988 54.000 0.136 0.000 0.844 633 D CB 1.876 42.832 40.800 0.261 0.000 1.059 633 D HN 0.137 nan 8.370 nan 0.000 0.493 634 P HA -0.126 nan 4.420 nan 0.000 0.218 634 P C 1.590 178.905 177.300 0.025 0.000 1.149 634 P CA 0.415 63.537 63.100 0.037 0.000 0.817 634 P CB 0.500 32.218 31.700 0.030 0.000 0.785 635 V N -0.030 119.898 119.914 0.025 0.000 2.490 635 V HA -0.161 3.950 4.120 -0.015 0.000 0.250 635 V C 2.757 178.847 176.094 -0.006 0.000 1.061 635 V CA 1.430 63.731 62.300 0.001 0.000 1.064 635 V CB -0.995 30.818 31.823 -0.017 0.000 0.670 635 V HN -0.032 nan 8.190 nan 0.000 0.461 636 V N -0.357 119.569 119.914 0.019 0.000 2.379 636 V HA 0.144 4.255 4.120 -0.015 0.000 0.245 636 V C 1.797 177.892 176.094 0.002 0.000 1.044 636 V CA 1.542 63.852 62.300 0.017 0.000 1.036 636 V CB -0.953 30.924 31.823 0.090 0.000 0.664 636 V HN 0.739 nan 8.190 nan 0.000 0.453 637 G N 1.588 110.394 108.800 0.009 0.000 2.556 637 G HA2 -0.360 3.591 3.960 -0.015 0.000 0.283 637 G HA3 -0.360 3.591 3.960 -0.015 0.000 0.283 637 G C 0.295 175.193 174.900 -0.004 0.000 1.177 637 G CA 0.414 45.515 45.100 0.002 0.000 0.978 637 G HN 0.659 nan 8.290 nan 0.000 0.554 638 D N 0.497 120.895 120.400 -0.003 0.000 2.395 638 D HA 0.189 4.820 4.640 -0.015 0.000 0.226 638 D C 1.791 178.084 176.300 -0.012 0.000 1.146 638 D CA 0.069 54.069 54.000 -0.000 0.000 0.830 638 D CB -0.061 40.748 40.800 0.016 0.000 0.958 638 D HN 0.599 nan 8.370 nan 0.000 0.501 639 R N -0.727 119.755 120.500 -0.030 0.000 2.173 639 R HA 0.219 4.550 4.340 -0.015 0.000 0.208 639 R C -0.090 176.169 176.300 -0.068 0.000 1.035 639 R CA 0.147 56.207 56.100 -0.066 0.000 1.004 639 R CB 0.411 30.654 30.300 -0.095 0.000 0.917 639 R HN 0.085 nan 8.270 nan 0.000 0.462 640 L N 0.946 122.145 121.223 -0.039 0.000 2.476 640 L HA 0.380 4.711 4.340 -0.015 0.000 0.269 640 L C -1.494 175.357 176.870 -0.032 0.000 0.965 640 L CA -0.471 54.347 54.840 -0.036 0.000 0.845 640 L CB 1.728 43.780 42.059 -0.012 0.000 1.259 640 L HN -0.166 nan 8.230 nan 0.000 0.403 641 R N 3.813 124.283 120.500 -0.049 0.000 2.621 641 R HA 0.774 5.105 4.340 -0.015 0.000 0.292 641 R C -1.565 174.690 176.300 -0.075 0.000 0.969 641 R CA -0.778 55.284 56.100 -0.063 0.000 0.887 641 R CB 2.423 32.687 30.300 -0.060 0.000 1.180 641 R HN 0.388 nan 8.270 nan 0.000 0.450 642 V N 4.867 124.735 119.914 -0.077 0.000 2.376 642 V HA 0.460 4.570 4.120 -0.015 0.000 0.287 642 V C -0.299 175.761 176.094 -0.057 0.000 1.015 642 V CA -0.714 61.543 62.300 -0.072 0.000 0.834 642 V CB 1.568 33.346 31.823 -0.075 0.000 1.001 642 V HN 0.543 nan 8.190 nan 0.000 0.428 643 I N 4.775 125.309 120.570 -0.059 0.000 2.436 643 I HA 0.445 4.605 4.170 -0.015 0.000 0.289 643 I C -0.632 175.475 176.117 -0.017 0.000 1.010 643 I CA -0.369 60.905 61.300 -0.043 0.000 1.098 643 I CB 1.837 39.787 38.000 -0.083 0.000 1.266 643 I HN 0.557 nan 8.210 nan 0.000 0.434 644 F N 7.383 127.268 119.950 -0.107 0.000 2.404 644 F HA 0.425 4.943 4.527 -0.015 0.000 0.358 644 F C -0.474 175.258 175.800 -0.114 0.000 1.120 644 F CA -0.595 57.342 58.000 -0.105 0.000 1.144 644 F CB 0.592 39.533 39.000 -0.098 0.000 1.133 644 F HN 0.157 nan 8.300 nan 0.000 0.495 645 L N 6.252 127.085 121.223 -0.651 0.000 2.407 645 L HA 0.147 4.478 4.340 -0.015 0.000 0.282 645 L C 0.304 176.909 176.870 -0.441 0.000 1.110 645 L CA 0.139 54.716 54.840 -0.437 0.000 0.863 645 L CB 0.053 41.932 42.059 -0.300 0.000 1.207 645 L HN 0.607 nan 8.230 nan 0.000 0.454 646 E N 3.334 123.417 120.200 -0.195 0.000 2.373 646 E HA -0.009 4.332 4.350 -0.015 0.000 0.267 646 E C 0.462 177.121 176.600 0.099 0.000 1.032 646 E CA -0.276 56.152 56.400 0.047 0.000 0.889 646 E CB 0.350 30.056 29.700 0.009 0.000 0.984 646 E HN 0.541 nan 8.360 nan 0.000 0.425 647 N N 2.463 121.281 118.700 0.196 0.000 2.740 647 N HA -0.279 4.452 4.740 -0.015 0.000 0.248 647 N C -1.526 174.082 175.510 0.163 0.000 1.062 647 N CA 0.537 53.700 53.050 0.188 0.000 0.704 647 N CB -1.655 36.959 38.487 0.211 0.000 0.968 647 N HN 0.491 nan 8.380 nan 0.000 0.547 648 Y N 1.556 121.867 120.300 0.018 0.000 2.721 648 Y HA 0.156 4.697 4.550 -0.016 0.000 0.329 648 Y C 1.164 177.083 175.900 0.033 0.000 1.211 648 Y CA 0.735 58.834 58.100 -0.002 0.000 1.512 648 Y CB 0.297 38.724 38.460 -0.056 0.000 1.249 648 Y HN 0.372 nan 8.280 nan 0.000 0.549 649 R N 2.350 122.501 120.500 -0.582 0.000 2.756 649 R HA 0.406 4.737 4.340 -0.015 0.000 0.273 649 R C -0.552 175.424 176.300 -0.540 0.000 1.030 649 R CA -0.588 55.266 56.100 -0.410 0.000 0.887 649 R CB 0.269 30.509 30.300 -0.100 0.000 1.274 649 R HN 0.355 nan 8.270 nan 0.000 0.461 650 V N 1.104 120.741 119.914 -0.462 0.000 2.287 650 V HA -0.282 3.829 4.120 -0.015 0.000 0.248 650 V C 2.523 178.489 176.094 -0.213 0.000 1.053 650 V CA 2.877 64.955 62.300 -0.370 0.000 1.027 650 V CB -0.748 30.815 31.823 -0.432 0.000 0.646 650 V HN 0.919 nan 8.190 nan 0.000 0.447 651 S N -0.284 115.309 115.700 -0.177 0.000 2.447 651 S HA -0.111 4.350 4.470 -0.015 0.000 0.233 651 S C 1.859 176.404 174.600 -0.092 0.000 1.006 651 S CA 1.323 59.445 58.200 -0.131 0.000 0.957 651 S CB -0.367 62.778 63.200 -0.092 0.000 0.773 651 S HN 0.394 nan 8.310 nan 0.000 0.507 652 L N 1.828 123.007 121.223 -0.073 0.000 2.131 652 L HA 0.367 4.698 4.340 -0.015 0.000 0.206 652 L C 2.619 179.514 176.870 0.042 0.000 1.087 652 L CA 1.328 56.175 54.840 0.011 0.000 0.767 652 L CB -1.222 40.905 42.059 0.113 0.000 0.917 652 L HN 0.330 nan 8.230 nan 0.000 0.441 653 A N -0.649 122.172 122.820 0.002 0.000 1.902 653 A HA -0.233 4.078 4.320 -0.015 0.000 0.217 653 A C 2.132 179.783 177.584 0.111 0.000 1.181 653 A CA 1.791 53.906 52.037 0.131 0.000 0.623 653 A CB -0.614 18.457 19.000 0.118 0.000 0.818 653 A HN 0.580 nan 8.150 nan 0.000 0.443 654 E N -0.423 119.817 120.200 0.066 0.000 2.265 654 E HA -0.172 4.168 4.350 -0.015 0.000 0.196 654 E C 1.887 178.456 176.600 -0.051 0.000 0.996 654 E CA 1.257 57.650 56.400 -0.011 0.000 0.832 654 E CB -0.043 29.551 29.700 -0.176 0.000 0.756 654 E HN 0.623 nan 8.360 nan 0.000 0.491 655 K N -0.120 120.235 120.400 -0.075 0.000 2.141 655 K HA 0.038 4.349 4.320 -0.015 0.000 0.202 655 K C 2.121 178.578 176.600 -0.238 0.000 1.045 655 K CA 0.408 56.641 56.287 -0.090 0.000 0.971 655 K CB 0.067 32.511 32.500 -0.092 0.000 0.795 655 K HN -0.040 nan 8.250 nan 0.000 0.459 656 V N 1.841 121.532 119.914 -0.372 0.000 2.591 656 V HA -0.110 4.001 4.120 -0.015 0.000 0.249 656 V C 1.858 177.717 176.094 -0.392 0.000 1.053 656 V CA 1.116 62.969 62.300 -0.744 0.000 1.068 656 V CB -0.158 31.301 31.823 -0.605 0.000 0.689 656 V HN 0.224 nan 8.190 nan 0.000 0.462 657 I N 0.804 121.195 120.570 -0.297 0.000 2.142 657 I HA -0.123 4.038 4.170 -0.015 0.000 0.240 657 I C -0.202 175.796 176.117 -0.197 0.000 1.078 657 I CA 1.639 62.695 61.300 -0.407 0.000 1.343 657 I CB -1.533 36.096 38.000 -0.619 0.000 1.046 657 I HN 0.352 nan 8.210 nan 0.000 0.405 658 P HA -0.140 nan 4.420 nan 0.000 0.221 658 P C 0.978 178.273 177.300 -0.007 0.000 1.145 658 P CA 1.345 64.421 63.100 -0.040 0.000 0.795 658 P CB -0.022 31.665 31.700 -0.022 0.000 0.775 659 A N -1.256 121.543 122.820 -0.035 0.000 2.251 659 A HA 0.443 4.754 4.320 -0.015 0.000 0.209 659 A C 1.170 178.857 177.584 0.171 0.000 1.187 659 A CA 0.172 52.245 52.037 0.060 0.000 0.823 659 A CB -0.707 18.330 19.000 0.063 0.000 0.846 659 A HN 0.209 nan 8.150 nan 0.000 0.486 660 A N -0.182 122.730 122.820 0.154 0.000 2.327 660 A HA 0.504 4.815 4.320 -0.015 0.000 0.283 660 A C 0.310 178.044 177.584 0.249 0.000 1.127 660 A CA -0.280 51.913 52.037 0.260 0.000 0.810 660 A CB 0.429 19.661 19.000 0.387 0.000 1.066 660 A HN 0.263 nan 8.150 nan 0.000 0.492 661 D N 0.603 121.156 120.400 0.255 0.000 2.338 661 D HA 0.111 4.742 4.640 -0.015 0.000 0.224 661 D C 0.060 176.588 176.300 0.380 0.000 0.967 661 D CA 0.747 54.962 54.000 0.359 0.000 0.896 661 D CB 0.279 41.223 40.800 0.240 0.000 1.028 661 D HN 0.358 nan 8.370 nan 0.000 0.493 662 L N 1.236 122.567 121.223 0.181 0.000 2.349 662 L HA 0.278 4.608 4.340 -0.015 0.000 0.278 662 L C -0.681 176.094 176.870 -0.158 0.000 0.996 662 L CA -0.312 54.556 54.840 0.046 0.000 0.825 662 L CB 2.034 44.088 42.059 -0.007 0.000 1.243 662 L HN -0.166 nan 8.230 nan 0.000 0.412 663 S N 4.388 119.907 115.700 -0.301 0.000 2.422 663 S HA 0.310 4.771 4.470 -0.015 0.000 0.298 663 S C -0.355 173.986 174.600 -0.431 0.000 1.118 663 S CA -0.687 57.087 58.200 -0.710 0.000 1.083 663 S CB 0.617 63.331 63.200 -0.810 0.000 0.971 663 S HN 0.538 nan 8.310 nan 0.000 0.478 664 E N 4.083 124.035 120.200 -0.413 0.000 2.089 664 E HA 0.216 4.557 4.350 -0.015 0.000 0.284 664 E C -0.527 175.960 176.600 -0.189 0.000 1.023 664 E CA -0.392 55.886 56.400 -0.202 0.000 0.819 664 E CB 1.032 30.640 29.700 -0.153 0.000 1.076 664 E HN 0.611 nan 8.360 nan 0.000 0.396 665 Q N 2.791 122.540 119.800 -0.085 0.000 3.122 665 Q HA 0.264 4.595 4.340 -0.015 0.000 0.282 665 Q C 0.574 176.563 176.000 -0.018 0.000 0.947 665 Q CA -0.119 55.643 55.803 -0.068 0.000 0.812 665 Q CB 0.211 28.917 28.738 -0.054 0.000 1.333 665 Q HN 0.614 nan 8.270 nan 0.000 0.430 666 I N -1.793 118.755 120.570 -0.037 0.000 3.654 666 I HA 0.279 4.440 4.170 -0.015 0.000 0.337 666 I C 0.386 176.459 176.117 -0.074 0.000 1.568 666 I CA -0.671 60.628 61.300 -0.002 0.000 1.115 666 I CB 0.498 38.502 38.000 0.006 0.000 1.300 666 I HN -0.007 nan 8.210 nan 0.000 0.471 667 S N 0.370 116.021 115.700 -0.082 0.000 2.573 667 S HA 0.199 4.660 4.470 -0.015 0.000 0.277 667 S C 0.576 175.156 174.600 -0.034 0.000 1.346 667 S CA -0.299 57.870 58.200 -0.053 0.000 1.034 667 S CB 0.316 63.533 63.200 0.028 0.000 0.879 667 S HN 0.387 nan 8.310 nan 0.000 0.528 668 T N 2.755 117.320 114.554 0.018 0.000 2.908 668 T HA 0.361 4.701 4.350 -0.015 0.000 0.301 668 T C 0.767 175.474 174.700 0.013 0.000 1.019 668 T CA 0.255 62.374 62.100 0.031 0.000 1.152 668 T CB -0.062 68.893 68.868 0.144 0.000 0.966 668 T HN 1.024 nan 8.240 nan 0.000 0.540 669 A N 2.745 125.542 122.820 -0.038 0.000 2.580 669 A HA 0.440 4.751 4.320 -0.015 0.000 0.244 669 A C 1.653 179.229 177.584 -0.013 0.000 1.045 669 A CA 0.289 52.300 52.037 -0.043 0.000 0.761 669 A CB -0.951 18.011 19.000 -0.062 0.000 0.962 669 A HN 1.779 nan 8.150 nan 0.000 0.512 670 G N 1.509 110.300 108.800 -0.016 0.000 2.175 670 G HA2 -0.246 3.705 3.960 -0.015 0.000 0.244 670 G HA3 -0.246 3.705 3.960 -0.015 0.000 0.244 670 G C 0.843 175.727 174.900 -0.025 0.000 0.982 670 G CA 1.157 46.250 45.100 -0.013 0.000 0.641 670 G HN 1.968 nan 8.290 nan 0.000 0.527 671 T N -2.507 112.027 114.554 -0.033 0.000 3.042 671 T HA 0.393 4.734 4.350 -0.015 0.000 0.245 671 T C 0.786 175.316 174.700 -0.285 0.000 1.029 671 T CA 1.059 63.067 62.100 -0.153 0.000 1.120 671 T CB 0.482 69.304 68.868 -0.076 0.000 0.917 671 T HN 0.305 nan 8.240 nan 0.000 0.467 672 E N 1.507 121.681 120.200 -0.043 0.000 2.105 672 E HA 0.649 4.989 4.350 -0.015 0.000 0.285 672 E C 1.083 177.637 176.600 -0.077 0.000 1.055 672 E CA 0.065 56.488 56.400 0.038 0.000 0.843 672 E CB 0.868 30.656 29.700 0.146 0.000 1.067 672 E HN 0.346 nan 8.360 nan 0.000 0.398 673 A N 3.448 126.152 122.820 -0.193 0.000 1.883 673 A HA -0.170 4.141 4.320 -0.015 0.000 0.217 673 A C 1.992 179.456 177.584 -0.200 0.000 1.186 673 A CA 2.090 53.886 52.037 -0.402 0.000 0.624 673 A CB -0.263 18.216 19.000 -0.867 0.000 0.822 673 A HN 0.603 nan 8.150 nan 0.000 0.444 674 S N -3.553 112.084 115.700 -0.106 0.000 3.624 674 S HA 0.449 4.910 4.470 -0.015 0.000 0.244 674 S C 0.785 175.377 174.600 -0.014 0.000 1.115 674 S CA 1.495 59.679 58.200 -0.026 0.000 0.820 674 S CB -0.163 63.044 63.200 0.012 0.000 0.964 674 S HN 2.216 nan 8.310 nan 0.000 0.508 675 G N 0.417 109.216 108.800 -0.002 0.000 2.728 675 G HA2 -0.106 3.845 3.960 -0.015 0.000 0.686 675 G HA3 -0.106 3.845 3.960 -0.015 0.000 0.686 675 G C 0.271 175.159 174.900 -0.021 0.000 1.337 675 G CA 0.432 45.529 45.100 -0.006 0.000 0.861 675 G HN 1.257 nan 8.290 nan 0.000 0.597 676 T N -1.655 112.875 114.554 -0.041 0.000 3.010 676 T HA 0.384 4.725 4.350 -0.015 0.000 0.253 676 T C 2.433 177.043 174.700 -0.150 0.000 0.939 676 T CA 1.234 63.281 62.100 -0.088 0.000 0.910 676 T CB 0.239 69.048 68.868 -0.097 0.000 1.226 676 T HN 1.894 nan 8.240 nan 0.000 0.508 677 G N 3.313 112.053 108.800 -0.099 0.000 2.469 677 G HA2 -0.336 3.615 3.960 -0.015 0.000 0.219 677 G HA3 -0.336 3.615 3.960 -0.015 0.000 0.219 677 G C 1.461 176.432 174.900 0.119 0.000 1.150 677 G CA 1.352 46.429 45.100 -0.037 0.000 0.763 677 G HN 0.839 nan 8.290 nan 0.000 0.561 678 N N -0.037 118.698 118.700 0.058 0.000 2.060 678 N HA -0.125 4.606 4.740 -0.015 0.000 0.195 678 N C 1.463 176.982 175.510 0.015 0.000 1.028 678 N CA 0.771 53.848 53.050 0.045 0.000 0.861 678 N CB -0.369 38.095 38.487 -0.039 0.000 1.029 678 N HN 0.356 nan 8.380 nan 0.000 0.428 682 M N 0.321 120.000 119.600 0.132 0.000 2.108 682 M HA -0.159 4.312 4.480 -0.015 0.000 0.261 682 M C 1.966 178.312 176.300 0.077 0.000 1.066 682 M CA 1.823 57.168 55.300 0.075 0.000 1.107 682 M CB -0.060 32.582 32.600 0.070 0.000 1.356 682 M HN 0.317 nan 8.290 nan 0.000 0.406 683 L N 0.579 121.847 121.223 0.074 0.000 2.291 683 L HA -0.067 4.263 4.340 -0.015 0.000 0.214 683 L C 1.289 178.199 176.870 0.067 0.000 1.120 683 L CA 1.582 56.473 54.840 0.086 0.000 0.799 683 L CB -0.530 41.589 42.059 0.100 0.000 0.925 683 L HN 0.348 nan 8.230 nan 0.000 0.446 684 N N -0.485 118.244 118.700 0.048 0.000 2.214 684 N HA 0.187 4.918 4.740 -0.015 0.000 0.214 684 N C 0.804 176.343 175.510 0.048 0.000 1.132 684 N CA 0.777 53.849 53.050 0.036 0.000 0.856 684 N CB 0.729 39.215 38.487 -0.002 0.000 1.020 684 N HN 0.359 nan 8.380 nan 0.000 0.509 685 G N 0.690 109.523 108.800 0.055 0.000 2.142 685 G HA2 -0.192 3.758 3.960 -0.015 0.000 0.225 685 G HA3 -0.192 3.758 3.960 -0.015 0.000 0.225 685 G C 0.001 174.958 174.900 0.095 0.000 1.015 685 G CA 0.123 45.254 45.100 0.052 0.000 0.716 685 G HN 0.505 nan 8.290 nan 0.000 0.508 686 A N -0.317 122.570 122.820 0.113 0.000 2.306 686 A HA 0.878 5.189 4.320 -0.015 0.000 0.330 686 A C 0.460 178.030 177.584 -0.024 0.000 1.146 686 A CA -0.592 51.528 52.037 0.138 0.000 0.827 686 A CB 0.922 20.070 19.000 0.248 0.000 1.178 686 A HN 0.741 nan 8.150 nan 0.000 0.490 687 L N 0.802 121.971 121.223 -0.090 0.000 2.399 687 L HA 0.421 4.752 4.340 -0.015 0.000 0.266 687 L C 0.126 176.873 176.870 -0.205 0.000 1.114 687 L CA -0.333 54.353 54.840 -0.256 0.000 0.804 687 L CB 1.481 43.313 42.059 -0.377 0.000 1.146 687 L HN 0.680 nan 8.230 nan 0.000 0.451 688 T N 3.061 117.370 114.554 -0.409 0.000 2.758 688 T HA 0.422 4.763 4.350 -0.015 0.000 0.285 688 T C -0.282 174.367 174.700 -0.086 0.000 0.981 688 T CA -0.228 61.659 62.100 -0.355 0.000 0.965 688 T CB 1.210 69.733 68.868 -0.576 0.000 0.927 688 T HN 0.342 nan 8.240 nan 0.000 0.448 689 I N 3.371 123.966 120.570 0.043 0.000 2.315 689 I HA 0.678 4.839 4.170 -0.015 0.000 0.291 689 I C 0.272 176.559 176.117 0.283 0.000 1.006 689 I CA 0.263 61.688 61.300 0.208 0.000 1.265 689 I CB 0.149 38.193 38.000 0.072 0.000 1.387 689 I HN 0.774 nan 8.210 nan 0.000 0.475 690 G N 3.970 113.009 108.800 0.399 0.000 2.559 690 G HA2 0.420 4.371 3.960 -0.015 0.000 0.291 690 G HA3 0.420 4.371 3.960 -0.015 0.000 0.291 690 G C -0.868 173.951 174.900 -0.135 0.000 1.424 690 G CA -0.368 44.870 45.100 0.231 0.000 0.786 690 G HN 0.587 nan 8.290 nan 0.000 0.485 691 T N -1.388 112.940 114.554 -0.376 0.000 2.849 691 T HA 0.481 4.822 4.350 -0.015 0.000 0.284 691 T C 0.787 175.358 174.700 -0.215 0.000 1.004 691 T CA -0.600 61.206 62.100 -0.489 0.000 1.021 691 T CB 1.003 69.611 68.868 -0.433 0.000 1.013 691 T HN 0.263 nan 8.240 nan 0.000 0.527 692 M N 2.858 122.346 119.600 -0.186 0.000 3.442 692 M HA 0.300 4.771 4.480 -0.015 0.000 0.232 692 M C -0.399 175.846 176.300 -0.092 0.000 1.508 692 M CA -0.068 55.164 55.300 -0.114 0.000 1.647 692 M CB -1.793 30.750 32.600 -0.095 0.000 1.126 692 M HN 0.717 nan 8.290 nan 0.000 0.557 693 D N 0.024 120.375 120.400 -0.081 0.000 2.575 693 D HA 0.667 5.297 4.640 -0.015 0.000 0.236 693 D C 0.763 177.040 176.300 -0.038 0.000 1.075 693 D CA 0.704 54.672 54.000 -0.054 0.000 0.860 693 D CB 1.740 42.510 40.800 -0.051 0.000 1.475 693 D HN 0.611 nan 8.370 nan 0.000 0.474 694 G N 2.055 110.843 108.800 -0.021 0.000 2.614 694 G HA2 -0.270 3.681 3.960 -0.015 0.000 0.303 694 G HA3 -0.270 3.681 3.960 -0.015 0.000 0.303 694 G C 1.008 175.901 174.900 -0.011 0.000 1.270 694 G CA 1.082 46.176 45.100 -0.011 0.000 0.988 694 G HN 1.033 nan 8.290 nan 0.000 0.551 695 A N -0.225 122.583 122.820 -0.019 0.000 2.206 695 A HA 0.138 4.448 4.320 -0.015 0.000 0.211 695 A C 2.089 179.612 177.584 -0.102 0.000 1.158 695 A CA 1.710 53.731 52.037 -0.026 0.000 0.761 695 A CB -0.429 18.555 19.000 -0.027 0.000 0.801 695 A HN 0.614 nan 8.150 nan 0.000 0.473 696 N N 0.625 119.271 118.700 -0.090 0.000 2.094 696 N HA -0.165 4.566 4.740 -0.015 0.000 0.191 696 N C 1.596 176.993 175.510 -0.189 0.000 1.023 696 N CA 1.655 54.646 53.050 -0.099 0.000 0.857 696 N CB -0.649 37.820 38.487 -0.030 0.000 1.013 696 N HN 0.285 nan 8.380 nan 0.000 0.426 697 V N 1.255 121.095 119.914 -0.123 0.000 2.332 697 V HA -0.215 3.896 4.120 -0.015 0.000 0.248 697 V C 1.993 178.019 176.094 -0.114 0.000 1.055 697 V CA 1.696 63.923 62.300 -0.121 0.000 1.038 697 V CB -0.475 31.308 31.823 -0.066 0.000 0.651 697 V HN 0.362 nan 8.190 nan 0.000 0.450 698 E N -0.737 119.445 120.200 -0.030 0.000 2.158 698 E HA -0.121 4.220 4.350 -0.015 0.000 0.191 698 E C 2.203 178.908 176.600 0.176 0.000 0.982 698 E CA 0.987 57.444 56.400 0.096 0.000 0.823 698 E CB -0.148 29.695 29.700 0.239 0.000 0.766 698 E HN 0.547 nan 8.360 nan 0.000 0.468 699 M N 0.435 120.015 119.600 -0.034 0.000 2.077 699 M HA -0.119 4.352 4.480 -0.015 0.000 0.261 699 M C 2.514 178.507 176.300 -0.512 0.000 1.070 699 M CA 1.532 56.719 55.300 -0.188 0.000 1.125 699 M CB -0.198 32.180 32.600 -0.370 0.000 1.339 699 M HN 0.129 nan 8.290 nan 0.000 0.409 700 A N 0.063 122.280 122.820 -1.005 0.000 1.908 700 A HA -0.251 4.060 4.320 -0.015 0.000 0.218 700 A C 1.992 179.345 177.584 -0.385 0.000 1.181 700 A CA 2.146 53.571 52.037 -1.020 0.000 0.627 700 A CB -0.930 17.594 19.000 -0.794 0.000 0.818 700 A HN 0.614 nan 8.150 nan 0.000 0.445 701 E N -0.487 119.574 120.200 -0.231 0.000 2.077 701 E HA -0.230 4.111 4.350 -0.015 0.000 0.193 701 E C 1.789 178.352 176.600 -0.063 0.000 0.989 701 E CA 1.341 57.676 56.400 -0.110 0.000 0.800 701 E CB -0.093 29.567 29.700 -0.066 0.000 0.746 701 E HN 0.571 nan 8.360 nan 0.000 0.452 702 E N 0.093 120.281 120.200 -0.019 0.000 2.072 702 E HA -0.123 4.217 4.350 -0.015 0.000 0.191 702 E C 1.877 178.495 176.600 0.031 0.000 0.985 702 E CA 1.132 57.548 56.400 0.028 0.000 0.801 702 E CB -0.178 29.595 29.700 0.123 0.000 0.750 702 E HN 0.382 nan 8.360 nan 0.000 0.452 703 A N 0.415 123.254 122.820 0.031 0.000 2.021 703 A HA 0.323 4.634 4.320 -0.015 0.000 0.216 703 A C 1.086 178.686 177.584 0.028 0.000 1.163 703 A CA 1.135 53.216 52.037 0.072 0.000 0.676 703 A CB -0.060 19.064 19.000 0.207 0.000 0.818 703 A HN 0.259 nan 8.150 nan 0.000 0.453 704 G N -0.606 108.179 108.800 -0.025 0.000 3.055 704 G HA2 -0.100 3.851 3.960 -0.015 0.000 0.686 704 G HA3 -0.100 3.851 3.960 -0.015 0.000 0.686 704 G C -0.037 174.843 174.900 -0.033 0.000 1.087 704 G CA -0.004 45.077 45.100 -0.032 0.000 0.779 704 G HN 0.266 nan 8.290 nan 0.000 0.599 705 E N 0.953 121.121 120.200 -0.052 0.000 2.267 705 E HA -0.151 4.190 4.350 -0.015 0.000 0.197 705 E C 2.011 178.601 176.600 -0.017 0.000 0.998 705 E CA 1.683 58.061 56.400 -0.037 0.000 0.830 705 E CB 0.081 29.757 29.700 -0.039 0.000 0.751 705 E HN 0.767 nan 8.360 nan 0.000 0.491 706 E N 0.746 120.927 120.200 -0.033 0.000 2.268 706 E HA -0.092 4.249 4.350 -0.015 0.000 0.195 706 E C 1.035 177.557 176.600 -0.130 0.000 0.995 706 E CA 0.646 57.008 56.400 -0.063 0.000 0.836 706 E CB -0.016 29.658 29.700 -0.043 0.000 0.763 706 E HN 0.155 nan 8.360 nan 0.000 0.491 707 N N -0.319 118.332 118.700 -0.081 0.000 2.268 707 N HA 0.132 4.863 4.740 -0.015 0.000 0.204 707 N C -0.909 174.498 175.510 -0.173 0.000 1.124 707 N CA 0.149 53.117 53.050 -0.137 0.000 0.838 707 N CB 0.377 38.846 38.487 -0.029 0.000 0.994 707 N HN 0.046 nan 8.380 nan 0.000 0.489 708 F N -0.378 119.321 119.950 -0.417 0.000 2.576 708 F HA 0.398 4.915 4.527 -0.016 0.000 0.313 708 F C -0.630 174.893 175.800 -0.461 0.000 1.078 708 F CA -1.114 56.659 58.000 -0.380 0.000 0.921 708 F CB 1.258 40.160 39.000 -0.164 0.000 1.232 708 F HN -0.212 nan 8.300 nan 0.000 0.459 709 F N 4.631 124.614 119.950 0.055 0.000 2.359 709 F HA 0.427 4.945 4.527 -0.015 0.000 0.355 709 F C -0.119 175.813 175.800 0.221 0.000 1.132 709 F CA -0.462 57.594 58.000 0.093 0.000 1.246 709 F CB -0.200 38.805 39.000 0.008 0.000 1.569 709 F HN 0.067 nan 8.300 nan 0.000 0.561 710 I N 3.866 124.627 120.570 0.319 0.000 2.395 710 I HA 0.325 4.486 4.170 -0.015 0.000 0.289 710 I C -0.185 176.103 176.117 0.284 0.000 1.023 710 I CA -0.487 60.961 61.300 0.247 0.000 1.350 710 I CB 0.548 38.617 38.000 0.116 0.000 1.409 710 I HN 0.344 nan 8.210 nan 0.000 0.507 711 F N 4.004 124.018 119.950 0.105 0.000 2.643 711 F HA 0.958 5.475 4.527 -0.016 0.000 0.314 711 F C 0.068 175.908 175.800 0.066 0.000 1.096 711 F CA -0.707 57.347 58.000 0.089 0.000 0.953 711 F CB 1.098 40.166 39.000 0.113 0.000 1.345 711 F HN 0.767 nan 8.300 nan 0.000 0.468 712 G N 1.115 109.972 108.800 0.095 0.000 2.710 712 G HA2 -0.069 3.882 3.960 -0.015 0.000 0.668 712 G HA3 -0.069 3.882 3.960 -0.015 0.000 0.668 712 G C -0.892 173.979 174.900 -0.049 0.000 1.320 712 G CA -0.676 44.420 45.100 -0.006 0.000 0.860 712 G HN 0.961 nan 8.290 nan 0.000 0.538 713 M N 0.962 120.545 119.600 -0.028 0.000 2.251 713 M HA 0.159 4.629 4.480 -0.015 0.000 0.343 713 M C 1.278 177.542 176.300 -0.060 0.000 1.245 713 M CA 0.106 55.395 55.300 -0.019 0.000 1.061 713 M CB 0.205 32.803 32.600 -0.004 0.000 1.723 713 M HN 0.523 nan 8.290 nan 0.000 0.449 714 R N 1.927 122.405 120.500 -0.036 0.000 2.580 714 R HA 0.225 4.555 4.340 -0.015 0.000 0.267 714 R C 1.279 177.560 176.300 -0.032 0.000 1.125 714 R CA -0.532 55.542 56.100 -0.043 0.000 1.188 714 R CB -0.140 30.143 30.300 -0.030 0.000 1.155 714 R HN 0.580 nan 8.270 nan 0.000 0.586 715 V N 1.456 121.350 119.914 -0.032 0.000 2.324 715 V HA -0.289 3.822 4.120 -0.015 0.000 0.250 715 V C 1.963 178.047 176.094 -0.016 0.000 1.060 715 V CA 2.130 64.415 62.300 -0.025 0.000 1.042 715 V CB -0.508 31.299 31.823 -0.027 0.000 0.650 715 V HN 0.624 nan 8.190 nan 0.000 0.450 716 E N 0.207 120.400 120.200 -0.012 0.000 2.085 716 E HA -0.206 4.135 4.350 -0.015 0.000 0.194 716 E C 1.989 178.594 176.600 0.007 0.000 0.994 716 E CA 1.558 57.956 56.400 -0.003 0.000 0.801 716 E CB -0.388 29.310 29.700 -0.002 0.000 0.743 716 E HN 0.642 nan 8.360 nan 0.000 0.453 717 D N -0.205 120.201 120.400 0.010 0.000 2.144 717 D HA -0.099 4.532 4.640 -0.015 0.000 0.200 717 D C 1.978 178.296 176.300 0.029 0.000 0.978 717 D CA 0.894 54.910 54.000 0.028 0.000 0.833 717 D CB 0.018 40.837 40.800 0.032 0.000 0.961 717 D HN 0.075 nan 8.370 nan 0.000 0.470 718 V N 1.984 121.903 119.914 0.009 0.000 2.295 718 V HA -0.217 3.894 4.120 -0.015 0.000 0.246 718 V C 1.986 178.084 176.094 0.006 0.000 1.049 718 V CA 1.710 64.009 62.300 -0.002 0.000 1.024 718 V CB -0.463 31.348 31.823 -0.020 0.000 0.648 718 V HN 0.016 nan 8.190 nan 0.000 0.447 719 D N -0.017 120.385 120.400 0.005 0.000 2.123 719 D HA -0.175 4.456 4.640 -0.015 0.000 0.196 719 D C 2.383 178.696 176.300 0.022 0.000 0.992 719 D CA 1.336 55.341 54.000 0.008 0.000 0.833 719 D CB -0.315 40.485 40.800 0.001 0.000 0.954 719 D HN 0.345 nan 8.370 nan 0.000 0.455 720 R N 0.034 120.552 120.500 0.030 0.000 2.091 720 R HA -0.039 4.292 4.340 -0.015 0.000 0.238 720 R C 2.472 178.810 176.300 0.062 0.000 1.136 720 R CA 0.567 56.692 56.100 0.042 0.000 0.959 720 R CB -0.353 29.974 30.300 0.045 0.000 0.856 720 R HN 0.211 nan 8.270 nan 0.000 0.437 721 L N 0.470 121.740 121.223 0.077 0.000 2.156 721 L HA -0.178 4.153 4.340 -0.015 0.000 0.208 721 L C 1.365 178.305 176.870 0.117 0.000 1.095 721 L CA 1.263 56.177 54.840 0.122 0.000 0.770 721 L CB -0.212 41.935 42.059 0.147 0.000 0.914 721 L HN 0.229 nan 8.230 nan 0.000 0.439 722 D N -0.498 119.944 120.400 0.071 0.000 2.117 722 D HA -0.187 4.444 4.640 -0.015 0.000 0.198 722 D C 2.191 178.524 176.300 0.055 0.000 0.982 722 D CA 1.044 55.079 54.000 0.058 0.000 0.828 722 D CB 0.019 40.832 40.800 0.022 0.000 0.967 722 D HN 0.400 nan 8.370 nan 0.000 0.464 723 Q N 0.197 120.024 119.800 0.046 0.000 2.020 723 Q HA -0.148 4.182 4.340 -0.015 0.000 0.202 723 Q C 2.266 178.293 176.000 0.046 0.000 0.982 723 Q CA 1.254 57.080 55.803 0.038 0.000 0.838 723 Q CB -0.093 28.664 28.738 0.031 0.000 0.899 723 Q HN 0.150 nan 8.270 nan 0.000 0.423 724 R N 0.195 120.729 120.500 0.056 0.000 2.120 724 R HA -0.042 4.289 4.340 -0.015 0.000 0.234 724 R C -0.053 176.287 176.300 0.066 0.000 1.123 724 R CA 1.059 57.194 56.100 0.058 0.000 0.975 724 R CB -0.041 30.298 30.300 0.066 0.000 0.866 724 R HN 0.269 nan 8.270 nan 0.000 0.446 725 G N -0.410 108.443 108.800 0.089 0.000 3.055 725 G HA2 -0.263 3.687 3.960 -0.015 0.000 0.686 725 G HA3 -0.263 3.687 3.960 -0.015 0.000 0.686 725 G C -1.473 173.524 174.900 0.162 0.000 1.087 725 G CA -0.223 44.941 45.100 0.105 0.000 0.779 725 G HN 0.299 nan 8.290 nan 0.000 0.599 726 Y N 3.571 123.907 120.300 0.059 0.000 2.383 726 Y HA 0.572 5.112 4.550 -0.015 0.000 0.344 726 Y C 0.457 176.416 175.900 0.098 0.000 0.986 726 Y CA -0.922 57.232 58.100 0.090 0.000 1.175 726 Y CB 0.888 39.385 38.460 0.063 0.000 1.152 726 Y HN 0.597 nan 8.280 nan 0.000 0.511 727 N N 5.135 123.621 118.700 -0.358 0.000 2.558 727 N HA 0.332 5.063 4.740 -0.015 0.000 0.242 727 N C 0.266 175.541 175.510 -0.391 0.000 0.979 727 N CA 0.209 53.064 53.050 -0.326 0.000 0.931 727 N CB 1.235 39.653 38.487 -0.114 0.000 1.122 727 N HN 0.881 nan 8.380 nan 0.000 0.508 728 A N 2.946 125.457 122.820 -0.516 0.000 1.972 728 A HA -0.206 4.104 4.320 -0.015 0.000 0.219 728 A C 2.010 179.717 177.584 0.204 0.000 1.169 728 A CA 1.226 53.162 52.037 -0.169 0.000 0.635 728 A CB -0.336 18.479 19.000 -0.308 0.000 0.810 728 A HN 0.757 nan 8.150 nan 0.000 0.446 729 Q N 0.245 120.072 119.800 0.046 0.000 2.135 729 Q HA -0.220 4.111 4.340 -0.015 0.000 0.204 729 Q C 1.875 177.958 176.000 0.138 0.000 0.981 729 Q CA 2.227 58.082 55.803 0.087 0.000 0.856 729 Q CB -0.369 28.377 28.738 0.013 0.000 0.902 729 Q HN 0.759 nan 8.270 nan 0.000 0.425 730 E N -1.306 118.912 120.200 0.030 0.000 2.070 730 E HA -0.254 4.087 4.350 -0.015 0.000 0.197 730 E C 1.629 178.168 176.600 -0.100 0.000 1.004 730 E CA 1.682 58.027 56.400 -0.093 0.000 0.805 730 E CB -0.223 29.318 29.700 -0.265 0.000 0.744 730 E HN 0.584 nan 8.360 nan 0.000 0.451 731 Y N -1.311 119.063 120.300 0.123 0.000 2.242 731 Y HA -0.198 4.343 4.550 -0.015 0.000 0.291 731 Y C 2.170 178.074 175.900 0.008 0.000 1.137 731 Y CA 1.382 59.539 58.100 0.095 0.000 1.181 731 Y CB -0.587 37.977 38.460 0.174 0.000 0.989 731 Y HN 0.239 nan 8.280 nan 0.000 0.527 732 Y N 1.346 121.693 120.300 0.077 0.000 2.165 732 Y HA -0.264 4.277 4.550 -0.015 0.000 0.286 732 Y C 1.770 177.647 175.900 -0.038 0.000 1.155 732 Y CA 1.830 59.901 58.100 -0.047 0.000 1.164 732 Y CB -0.313 38.172 38.460 0.041 0.000 0.978 732 Y HN 0.084 nan 8.280 nan 0.000 0.513 733 D N -0.347 120.137 120.400 0.140 0.000 2.183 733 D HA -0.083 4.548 4.640 -0.015 0.000 0.203 733 D C 1.769 178.045 176.300 -0.040 0.000 0.969 733 D CA 1.168 55.196 54.000 0.046 0.000 0.842 733 D CB -0.109 40.739 40.800 0.081 0.000 0.957 733 D HN 0.484 nan 8.370 nan 0.000 0.484 734 R N -0.139 120.341 120.500 -0.034 0.000 2.334 734 R HA 0.294 4.625 4.340 -0.015 0.000 0.212 734 R C 0.333 176.617 176.300 -0.026 0.000 0.897 734 R CA 0.072 56.154 56.100 -0.031 0.000 1.056 734 R CB 1.170 31.451 30.300 -0.033 0.000 1.046 734 R HN 0.139 nan 8.270 nan 0.000 0.513 735 I N 2.034 122.569 120.570 -0.058 0.000 2.495 735 I HA 0.230 4.391 4.170 -0.015 0.000 0.277 735 I C -1.999 174.030 176.117 -0.147 0.000 1.045 735 I CA -2.306 58.962 61.300 -0.053 0.000 1.135 735 I CB 2.204 40.206 38.000 0.002 0.000 1.241 735 I HN -0.289 nan 8.210 nan 0.000 0.469 736 P HA -0.145 nan 4.420 nan 0.000 0.216 736 P C 1.182 178.390 177.300 -0.154 0.000 1.150 736 P CA 1.326 64.337 63.100 -0.149 0.000 0.837 736 P CB 0.323 31.968 31.700 -0.092 0.000 0.786 737 E N -0.924 119.222 120.200 -0.090 0.000 2.110 737 E HA -0.161 4.180 4.350 -0.015 0.000 0.193 737 E C 1.856 178.362 176.600 -0.157 0.000 0.988 737 E CA 0.695 57.059 56.400 -0.060 0.000 0.804 737 E CB -0.591 29.143 29.700 0.058 0.000 0.745 737 E HN 0.124 nan 8.360 nan 0.000 0.458 738 L N 1.244 122.282 121.223 -0.309 0.000 2.056 738 L HA -0.130 4.201 4.340 -0.015 0.000 0.207 738 L C 2.357 178.956 176.870 -0.453 0.000 1.078 738 L CA 1.610 56.094 54.840 -0.593 0.000 0.749 738 L CB -0.303 41.248 42.059 -0.847 0.000 0.901 738 L HN -0.085 nan 8.230 nan 0.000 0.433 739 R N -0.869 119.348 120.500 -0.472 0.000 2.083 739 R HA -0.245 4.085 4.340 -0.015 0.000 0.237 739 R C 2.410 178.548 176.300 -0.272 0.000 1.137 739 R CA 2.052 57.797 56.100 -0.590 0.000 0.951 739 R CB -0.391 29.480 30.300 -0.715 0.000 0.851 739 R HN 0.582 nan 8.270 nan 0.000 0.434 740 Q N 0.430 120.105 119.800 -0.210 0.000 2.077 740 Q HA -0.211 4.119 4.340 -0.015 0.000 0.206 740 Q C 2.085 178.031 176.000 -0.091 0.000 0.989 740 Q CA 2.108 57.831 55.803 -0.132 0.000 0.853 740 Q CB -0.146 28.517 28.738 -0.125 0.000 0.907 740 Q HN 0.474 nan 8.270 nan 0.000 0.418 741 I N 0.574 121.087 120.570 -0.094 0.000 2.179 741 I HA -0.300 3.860 4.170 -0.015 0.000 0.242 741 I C 2.159 178.292 176.117 0.027 0.000 1.088 741 I CA 0.717 61.998 61.300 -0.032 0.000 1.357 741 I CB -0.334 37.620 38.000 -0.076 0.000 1.051 741 I HN 0.304 nan 8.210 nan 0.000 0.409 742 I N 0.850 121.436 120.570 0.027 0.000 2.286 742 I HA -0.246 3.915 4.170 -0.015 0.000 0.248 742 I C 2.439 178.652 176.117 0.161 0.000 1.115 742 I CA 1.675 63.061 61.300 0.142 0.000 1.392 742 I CB -1.312 36.867 38.000 0.297 0.000 1.065 742 I HN 0.353 nan 8.210 nan 0.000 0.418 743 E N 0.329 120.603 120.200 0.124 0.000 2.106 743 E HA -0.224 4.117 4.350 -0.015 0.000 0.192 743 E C 2.175 178.838 176.600 0.104 0.000 0.984 743 E CA 0.881 57.347 56.400 0.111 0.000 0.806 743 E CB -0.124 29.612 29.700 0.059 0.000 0.750 743 E HN 0.580 nan 8.360 nan 0.000 0.458 744 Q N 0.520 120.366 119.800 0.076 0.000 2.050 744 Q HA -0.134 4.197 4.340 -0.015 0.000 0.202 744 Q C 2.370 178.551 176.000 0.302 0.000 0.980 744 Q CA 1.028 56.894 55.803 0.105 0.000 0.840 744 Q CB -0.080 28.643 28.738 -0.024 0.000 0.898 744 Q HN 0.297 nan 8.270 nan 0.000 0.424 745 L N 0.035 121.437 121.223 0.298 0.000 2.012 745 L HA -0.218 4.112 4.340 -0.015 0.000 0.210 745 L C 2.479 179.525 176.870 0.293 0.000 1.073 745 L CA 1.081 56.102 54.840 0.302 0.000 0.748 745 L CB -0.410 41.740 42.059 0.151 0.000 0.891 745 L HN 0.158 nan 8.230 nan 0.000 0.431 746 S N -0.397 115.433 115.700 0.218 0.000 2.368 746 S HA -0.151 4.309 4.470 -0.015 0.000 0.225 746 S C 2.029 176.733 174.600 0.173 0.000 1.030 746 S CA 1.558 59.868 58.200 0.185 0.000 0.999 746 S CB -0.212 63.077 63.200 0.148 0.000 0.844 746 S HN 0.609 nan 8.310 nan 0.000 0.459 747 S N 0.267 116.070 115.700 0.172 0.000 2.562 747 S HA 0.350 4.811 4.470 -0.015 0.000 0.221 747 S C 1.326 176.019 174.600 0.156 0.000 0.975 747 S CA 0.641 58.928 58.200 0.145 0.000 0.918 747 S CB 0.053 63.329 63.200 0.126 0.000 0.772 747 S HN 0.803 nan 8.310 nan 0.000 0.531 748 G N 0.682 109.607 108.800 0.209 0.000 2.130 748 G HA2 -0.281 3.670 3.960 -0.015 0.000 0.216 748 G HA3 -0.281 3.670 3.960 -0.015 0.000 0.216 748 G C 0.146 175.140 174.900 0.157 0.000 0.999 748 G CA 0.106 45.320 45.100 0.190 0.000 0.686 748 G HN 0.525 nan 8.290 nan 0.000 0.515 749 F N 0.176 120.129 119.950 0.006 0.000 2.171 749 F HA 0.195 4.713 4.527 -0.015 0.000 0.300 749 F C 1.890 177.485 175.800 -0.342 0.000 1.090 749 F CA 1.954 59.827 58.000 -0.212 0.000 1.293 749 F CB -0.032 38.753 39.000 -0.359 0.000 1.013 749 F HN 0.176 nan 8.300 nan 0.000 0.486 750 F N -0.299 119.783 119.950 0.219 0.000 2.693 750 F HA 0.208 4.726 4.527 -0.015 0.000 0.303 750 F C 0.533 176.442 175.800 0.183 0.000 1.097 750 F CA 0.189 58.267 58.000 0.130 0.000 1.330 750 F CB -0.104 38.964 39.000 0.113 0.000 1.067 750 F HN -0.051 nan 8.300 nan 0.000 0.565 751 S N -1.690 114.169 115.700 0.266 0.000 2.488 751 S HA 0.315 4.776 4.470 -0.015 0.000 0.151 751 S C -2.540 172.091 174.600 0.052 0.000 1.401 751 S CA -1.002 57.289 58.200 0.150 0.000 1.221 751 S CB 1.062 64.332 63.200 0.115 0.000 1.407 751 S HN -0.181 nan 8.310 nan 0.000 0.406 752 P HA -0.005 nan 4.420 nan 0.000 0.217 752 P C 1.270 178.563 177.300 -0.012 0.000 1.151 752 P CA 1.005 64.087 63.100 -0.030 0.000 0.828 752 P CB 0.157 31.811 31.700 -0.076 0.000 0.788 753 K N -0.697 119.697 120.400 -0.010 0.000 2.097 753 K HA -0.055 4.256 4.320 -0.015 0.000 0.205 753 K C 0.691 177.291 176.600 -0.000 0.000 1.050 753 K CA 1.022 57.305 56.287 -0.006 0.000 0.938 753 K CB -0.087 32.411 32.500 -0.004 0.000 0.718 753 K HN 0.302 nan 8.250 nan 0.000 0.442 754 Q N 0.281 120.081 119.800 -0.001 0.000 2.700 754 Q HA 0.141 4.472 4.340 -0.015 0.000 0.249 754 Q C -2.146 173.853 176.000 -0.002 0.000 1.033 754 Q CA -1.656 54.142 55.803 -0.008 0.000 0.804 754 Q CB 1.450 30.175 28.738 -0.023 0.000 1.164 754 Q HN -0.014 nan 8.270 nan 0.000 0.500 755 P HA -0.231 nan 4.420 nan 0.000 0.217 755 P C 0.494 177.837 177.300 0.072 0.000 1.148 755 P CA 1.536 64.671 63.100 0.057 0.000 0.828 755 P CB 0.275 32.007 31.700 0.053 0.000 0.783 756 D N -0.884 119.541 120.400 0.041 0.000 2.342 756 D HA -0.020 4.611 4.640 -0.015 0.000 0.221 756 D C 1.669 177.974 176.300 0.009 0.000 1.101 756 D CA -0.350 53.681 54.000 0.052 0.000 0.837 756 D CB -0.660 40.170 40.800 0.051 0.000 0.938 756 D HN -0.011 nan 8.370 nan 0.000 0.508 757 L N -0.084 121.082 121.223 -0.096 0.000 2.089 757 L HA -0.083 4.248 4.340 -0.015 0.000 0.213 757 L C 1.065 177.718 176.870 -0.362 0.000 1.079 757 L CA 1.670 56.329 54.840 -0.301 0.000 0.758 757 L CB -0.614 41.091 42.059 -0.590 0.000 0.891 757 L HN 0.006 nan 8.230 nan 0.000 0.433 758 F N -0.808 119.200 119.950 0.096 0.000 2.684 758 F HA 0.145 4.662 4.527 -0.015 0.000 0.298 758 F C 1.834 177.685 175.800 0.085 0.000 1.120 758 F CA -0.143 57.904 58.000 0.077 0.000 1.332 758 F CB -0.243 38.791 39.000 0.057 0.000 0.986 758 F HN 0.086 nan 8.300 nan 0.000 0.524 759 K N -0.298 120.221 120.400 0.198 0.000 2.103 759 K HA -0.196 4.115 4.320 -0.015 0.000 0.207 759 K C 0.948 177.651 176.600 0.171 0.000 1.048 759 K CA 2.043 58.430 56.287 0.166 0.000 0.930 759 K CB -0.268 32.306 32.500 0.124 0.000 0.716 759 K HN 0.082 nan 8.250 nan 0.000 0.444 760 D N 1.305 121.819 120.400 0.190 0.000 2.117 760 D HA -0.090 4.540 4.640 -0.015 0.000 0.197 760 D C 2.079 178.479 176.300 0.166 0.000 0.987 760 D CA 1.216 55.342 54.000 0.208 0.000 0.829 760 D CB -0.133 40.830 40.800 0.272 0.000 0.961 760 D HN 0.328 nan 8.370 nan 0.000 0.460 761 I N 0.491 121.156 120.570 0.157 0.000 2.202 761 I HA -0.208 3.953 4.170 -0.015 0.000 0.242 761 I C 2.453 178.594 176.117 0.040 0.000 1.091 761 I CA 0.600 61.952 61.300 0.086 0.000 1.368 761 I CB -0.295 37.760 38.000 0.091 0.000 1.058 761 I HN -0.120 nan 8.210 nan 0.000 0.410 762 V N 1.270 121.235 119.914 0.086 0.000 2.343 762 V HA -0.301 3.810 4.120 -0.015 0.000 0.247 762 V C 2.258 178.348 176.094 -0.007 0.000 1.051 762 V CA 2.403 64.739 62.300 0.061 0.000 1.036 762 V CB -0.991 30.897 31.823 0.107 0.000 0.654 762 V HN 0.469 nan 8.190 nan 0.000 0.451 763 N N -0.120 118.613 118.700 0.054 0.000 2.069 763 N HA -0.215 4.516 4.740 -0.015 0.000 0.191 763 N C 1.873 177.357 175.510 -0.043 0.000 1.031 763 N CA 1.908 55.023 53.050 0.107 0.000 0.852 763 N CB -0.304 38.320 38.487 0.230 0.000 1.018 763 N HN 0.313 nan 8.380 nan 0.000 0.423 764 M N -0.161 119.321 119.600 -0.196 0.000 2.080 764 M HA -0.130 4.341 4.480 -0.015 0.000 0.260 764 M C 1.444 177.457 176.300 -0.478 0.000 1.068 764 M CA 1.340 56.207 55.300 -0.721 0.000 1.109 764 M CB -0.655 31.678 32.600 -0.444 0.000 1.342 764 M HN 0.213 nan 8.290 nan 0.000 0.405 765 L N 0.616 121.644 121.223 -0.324 0.000 2.042 765 L HA -0.231 4.099 4.340 -0.015 0.000 0.210 765 L C 2.487 179.006 176.870 -0.586 0.000 1.076 765 L CA 1.722 56.290 54.840 -0.453 0.000 0.749 765 L CB -1.193 40.660 42.059 -0.343 0.000 0.893 765 L HN 0.358 nan 8.230 nan 0.000 0.432 766 M N -1.933 117.390 119.600 -0.462 0.000 2.236 766 M HA -0.079 4.392 4.480 -0.015 0.000 0.266 766 M C 1.978 177.913 176.300 -0.608 0.000 1.070 766 M CA 1.457 56.410 55.300 -0.577 0.000 1.137 766 M CB -0.814 31.331 32.600 -0.759 0.000 1.378 766 M HN 0.344 nan 8.290 nan 0.000 0.426 767 H N -2.052 116.970 119.070 -0.081 0.000 2.800 767 H HA 0.172 4.719 4.556 -0.015 0.000 0.257 767 H C 0.324 175.710 175.328 0.095 0.000 0.967 767 H CA 0.754 56.813 56.048 0.018 0.000 1.192 767 H CB 0.045 29.861 29.762 0.091 0.000 1.441 767 H HN 0.587 nan 8.280 nan 0.000 0.461 768 H N -1.037 118.088 119.070 0.091 0.000 2.624 768 H HA 0.311 4.858 4.556 -0.015 0.000 0.233 768 H C -1.046 174.305 175.328 0.038 0.000 1.376 768 H CA -0.592 55.498 56.048 0.070 0.000 1.137 768 H CB 0.109 29.915 29.762 0.073 0.000 1.867 768 H HN -0.146 nan 8.280 nan 0.000 0.547 769 D N 1.543 121.928 120.400 -0.024 0.000 2.393 769 D HA 0.105 4.736 4.640 -0.015 0.000 0.232 769 D C 0.858 177.094 176.300 -0.107 0.000 1.192 769 D CA -0.375 53.591 54.000 -0.057 0.000 0.882 769 D CB 0.701 41.469 40.800 -0.053 0.000 1.038 769 D HN 0.507 nan 8.370 nan 0.000 0.499 770 R N 2.235 122.577 120.500 -0.263 0.000 2.237 770 R HA -0.047 4.284 4.340 -0.015 0.000 0.219 770 R C 0.649 176.488 176.300 -0.769 0.000 1.080 770 R CA 0.909 56.652 56.100 -0.595 0.000 0.995 770 R CB 0.109 29.839 30.300 -0.951 0.000 0.875 770 R HN 0.397 nan 8.270 nan 0.000 0.462 771 F N 0.248 120.152 119.950 -0.076 0.000 2.661 771 F HA 0.279 4.796 4.527 -0.015 0.000 0.306 771 F C 0.011 175.692 175.800 -0.199 0.000 1.094 771 F CA -0.712 57.234 58.000 -0.090 0.000 1.254 771 F CB 0.256 39.265 39.000 0.015 0.000 1.040 771 F HN -0.252 nan 8.300 nan 0.000 0.562 772 K N -0.299 119.928 120.400 -0.288 0.000 3.257 772 K HA -0.175 4.136 4.320 -0.015 0.000 0.270 772 K C 0.957 177.452 176.600 -0.176 0.000 0.984 772 K CA 0.213 56.153 56.287 -0.578 0.000 0.739 772 K CB -1.948 30.097 32.500 -0.757 0.000 1.351 772 K HN 0.200 nan 8.250 nan 0.000 0.463 773 V N 0.067 119.953 119.914 -0.046 0.000 2.252 773 V HA -0.313 3.798 4.120 -0.015 0.000 0.249 773 V C 1.982 178.215 176.094 0.233 0.000 1.056 773 V CA 2.452 64.800 62.300 0.079 0.000 1.022 773 V CB -0.521 31.351 31.823 0.082 0.000 0.641 773 V HN 0.509 nan 8.190 nan 0.000 0.445 774 F N 0.160 120.108 119.950 -0.004 0.000 2.171 774 F HA -0.197 4.320 4.527 -0.016 0.000 0.300 774 F C 2.529 178.097 175.800 -0.385 0.000 1.090 774 F CA 0.666 58.602 58.000 -0.105 0.000 1.293 774 F CB -0.406 38.551 39.000 -0.072 0.000 1.013 774 F HN 0.202 nan 8.300 nan 0.000 0.486 775 A N -0.426 122.226 122.820 -0.280 0.000 2.019 775 A HA -0.197 4.114 4.320 -0.015 0.000 0.219 775 A C 1.474 179.032 177.584 -0.044 0.000 1.164 775 A CA 1.874 53.653 52.037 -0.431 0.000 0.644 775 A CB -0.474 18.450 19.000 -0.127 0.000 0.805 775 A HN 0.233 nan 8.150 nan 0.000 0.449 776 D N -2.681 117.760 120.400 0.068 0.000 2.349 776 D HA 0.083 4.713 4.640 -0.015 0.000 0.214 776 D C 1.153 177.601 176.300 0.247 0.000 1.063 776 D CA 0.004 54.122 54.000 0.196 0.000 0.847 776 D CB -0.120 40.818 40.800 0.230 0.000 0.933 776 D HN 0.612 nan 8.370 nan 0.000 0.513 777 Y N 2.043 122.403 120.300 0.099 0.000 2.070 777 Y HA -0.208 4.333 4.550 -0.015 0.000 0.280 777 Y C 2.114 178.085 175.900 0.118 0.000 1.148 777 Y CA 1.841 60.009 58.100 0.114 0.000 1.125 777 Y CB 0.154 38.643 38.460 0.049 0.000 0.975 777 Y HN -0.120 nan 8.280 nan 0.000 0.492 778 E N 0.051 120.303 120.200 0.086 0.000 2.038 778 E HA -0.264 4.077 4.350 -0.015 0.000 0.195 778 E C 2.210 178.779 176.600 -0.051 0.000 1.000 778 E CA 1.675 58.065 56.400 -0.016 0.000 0.803 778 E CB -0.212 29.578 29.700 0.151 0.000 0.750 778 E HN 0.626 nan 8.360 nan 0.000 0.448 779 E N -0.239 120.004 120.200 0.072 0.000 2.118 779 E HA -0.218 4.123 4.350 -0.015 0.000 0.195 779 E C 1.964 178.556 176.600 -0.014 0.000 0.992 779 E CA 0.945 57.407 56.400 0.103 0.000 0.804 779 E CB -0.167 29.682 29.700 0.249 0.000 0.741 779 E HN 0.265 nan 8.360 nan 0.000 0.458 780 Y N 1.203 121.320 120.300 -0.304 0.000 2.114 780 Y HA -0.245 4.295 4.550 -0.015 0.000 0.284 780 Y C 2.172 177.688 175.900 -0.640 0.000 1.143 780 Y CA 1.154 58.761 58.100 -0.822 0.000 1.135 780 Y CB -0.570 37.424 38.460 -0.776 0.000 0.980 780 Y HN -0.197 nan 8.280 nan 0.000 0.499 781 V N 0.637 120.191 119.914 -0.599 0.000 2.287 781 V HA -0.349 3.762 4.120 -0.015 0.000 0.248 781 V C 2.305 178.165 176.094 -0.390 0.000 1.053 781 V CA 2.469 64.433 62.300 -0.560 0.000 1.027 781 V CB -0.637 30.877 31.823 -0.516 0.000 0.646 781 V HN 0.324 nan 8.190 nan 0.000 0.447 782 K N -0.900 119.338 120.400 -0.270 0.000 2.057 782 K HA -0.215 4.096 4.320 -0.015 0.000 0.207 782 K C 2.284 178.783 176.600 -0.169 0.000 1.049 782 K CA 1.767 57.958 56.287 -0.161 0.000 0.931 782 K CB -0.656 31.799 32.500 -0.076 0.000 0.714 782 K HN 0.540 nan 8.250 nan 0.000 0.440 783 C N 1.311 120.486 119.300 -0.209 0.000 2.425 783 C HA -0.093 4.357 4.460 -0.015 0.000 0.277 783 C C 2.560 177.356 174.990 -0.323 0.000 1.280 783 C CA 0.774 59.690 59.018 -0.170 0.000 1.744 783 C CB -0.671 27.002 27.740 -0.111 0.000 1.989 783 C HN 0.432 nan 8.230 nan 0.000 0.491 784 Q N 0.409 119.885 119.800 -0.541 0.000 2.226 784 Q HA -0.167 4.164 4.340 -0.015 0.000 0.204 784 Q C 1.976 177.776 176.000 -0.334 0.000 0.975 784 Q CA 1.561 57.006 55.803 -0.597 0.000 0.866 784 Q CB -0.353 27.783 28.738 -1.004 0.000 0.915 784 Q HN 0.761 nan 8.270 nan 0.000 0.440 785 E N 0.126 120.188 120.200 -0.231 0.000 2.106 785 E HA -0.117 4.223 4.350 -0.015 0.000 0.192 785 E C 2.069 178.616 176.600 -0.089 0.000 0.984 785 E CA 0.487 56.811 56.400 -0.126 0.000 0.806 785 E CB 0.034 29.681 29.700 -0.089 0.000 0.750 785 E HN 0.238 nan 8.360 nan 0.000 0.458 786 R N 0.366 120.815 120.500 -0.085 0.000 2.120 786 R HA -0.091 4.240 4.340 -0.015 0.000 0.234 786 R C 2.370 178.647 176.300 -0.040 0.000 1.123 786 R CA 0.872 56.976 56.100 0.007 0.000 0.975 786 R CB -0.247 30.116 30.300 0.105 0.000 0.866 786 R HN 0.077 nan 8.270 nan 0.000 0.446 787 V N 0.397 120.117 119.914 -0.325 0.000 2.307 787 V HA -0.233 3.878 4.120 -0.015 0.000 0.245 787 V C 2.212 178.271 176.094 -0.057 0.000 1.045 787 V CA 1.886 63.908 62.300 -0.462 0.000 1.024 787 V CB -0.367 31.052 31.823 -0.673 0.000 0.651 787 V HN 0.275 nan 8.190 nan 0.000 0.449 788 S N 0.043 115.684 115.700 -0.097 0.000 2.370 788 S HA -0.207 4.254 4.470 -0.015 0.000 0.226 788 S C 2.226 176.868 174.600 0.070 0.000 1.033 788 S CA 1.494 59.673 58.200 -0.035 0.000 1.011 788 S CB -0.529 62.627 63.200 -0.072 0.000 0.852 788 S HN 0.654 nan 8.310 nan 0.000 0.457 789 A N 1.387 124.250 122.820 0.072 0.000 1.883 789 A HA -0.058 4.252 4.320 -0.015 0.000 0.217 789 A C 2.112 179.797 177.584 0.168 0.000 1.186 789 A CA 1.254 53.356 52.037 0.109 0.000 0.624 789 A CB -0.796 18.259 19.000 0.092 0.000 0.822 789 A HN 0.469 nan 8.150 nan 0.000 0.444 790 L N -2.098 119.278 121.223 0.254 0.000 2.141 790 L HA -0.159 4.172 4.340 -0.015 0.000 0.209 790 L C 2.465 179.582 176.870 0.411 0.000 1.094 790 L CA 1.791 56.858 54.840 0.379 0.000 0.763 790 L CB -0.405 41.996 42.059 0.571 0.000 0.908 790 L HN 0.615 nan 8.230 nan 0.000 0.437 791 Y N 0.842 121.229 120.300 0.146 0.000 2.352 791 Y HA -0.245 4.297 4.550 -0.014 0.000 0.292 791 Y C 2.441 178.261 175.900 -0.133 0.000 1.136 791 Y CA 1.498 59.451 58.100 -0.245 0.000 1.227 791 Y CB -0.012 38.094 38.460 -0.591 0.000 0.991 791 Y HN 0.050 nan 8.280 nan 0.000 0.545 792 K N -0.060 120.370 120.400 0.050 0.000 2.280 792 K HA -0.157 4.154 4.320 -0.015 0.000 0.202 792 K C 0.408 176.987 176.600 -0.035 0.000 1.047 792 K CA 0.928 57.231 56.287 0.026 0.000 0.942 792 K CB -0.109 32.449 32.500 0.097 0.000 0.739 792 K HN 0.046 nan 8.250 nan 0.000 0.457 793 N N 0.354 119.050 118.700 -0.008 0.000 2.816 793 N HA 0.129 4.860 4.740 -0.015 0.000 0.236 793 N C -2.429 173.077 175.510 -0.007 0.000 1.076 793 N CA -2.202 50.849 53.050 0.001 0.000 0.902 793 N CB 1.186 39.705 38.487 0.053 0.000 1.149 793 N HN -0.183 nan 8.380 nan 0.000 0.506 794 P HA -0.162 nan 4.420 nan 0.000 0.216 794 P C 1.358 178.669 177.300 0.018 0.000 1.150 794 P CA 1.091 64.115 63.100 -0.127 0.000 0.843 794 P CB 0.392 31.993 31.700 -0.165 0.000 0.787 795 R N -0.052 120.460 120.500 0.019 0.000 2.075 795 R HA -0.136 4.194 4.340 -0.015 0.000 0.232 795 R C 1.919 178.264 176.300 0.074 0.000 1.126 795 R CA 1.311 57.435 56.100 0.040 0.000 0.963 795 R CB -0.274 30.041 30.300 0.024 0.000 0.858 795 R HN 0.086 nan 8.270 nan 0.000 0.435 796 E N -0.128 120.128 120.200 0.093 0.000 2.158 796 E HA -0.202 4.139 4.350 -0.015 0.000 0.191 796 E C 1.579 178.266 176.600 0.144 0.000 0.982 796 E CA 0.535 56.996 56.400 0.101 0.000 0.823 796 E CB -0.407 29.351 29.700 0.096 0.000 0.766 796 E HN 0.493 nan 8.360 nan 0.000 0.468 797 W N 2.239 123.543 121.300 0.007 0.000 2.333 797 W HA -0.207 4.443 4.660 -0.017 0.000 0.316 797 W C 1.641 178.170 176.519 0.017 0.000 1.215 797 W CA 2.202 59.566 57.345 0.032 0.000 1.278 797 W CB -0.433 29.018 29.460 -0.014 0.000 1.154 797 W HN 0.035 nan 8.180 nan 0.000 0.486 798 T N 1.097 115.790 114.554 0.231 0.000 2.788 798 T HA -0.167 4.174 4.350 -0.015 0.000 0.268 798 T C 1.843 176.555 174.700 0.021 0.000 1.044 798 T CA 1.654 63.820 62.100 0.111 0.000 1.139 798 T CB -0.297 68.625 68.868 0.090 0.000 0.867 798 T HN 0.182 nan 8.240 nan 0.000 0.454 799 R N 0.329 120.848 120.500 0.032 0.000 2.092 799 R HA 0.136 4.467 4.340 -0.015 0.000 0.231 799 R C 2.505 178.796 176.300 -0.014 0.000 1.119 799 R CA 1.035 57.152 56.100 0.028 0.000 0.970 799 R CB -0.309 30.015 30.300 0.039 0.000 0.864 799 R HN 0.362 nan 8.270 nan 0.000 0.440 800 M N 0.493 120.049 119.600 -0.073 0.000 2.132 800 M HA -0.153 4.318 4.480 -0.015 0.000 0.263 800 M C 2.001 178.197 176.300 -0.173 0.000 1.065 800 M CA 1.434 56.647 55.300 -0.146 0.000 1.122 800 M CB 0.103 32.562 32.600 -0.236 0.000 1.365 800 M HN -0.018 nan 8.290 nan 0.000 0.411 801 V N 1.091 120.873 119.914 -0.219 0.000 2.282 801 V HA -0.347 3.764 4.120 -0.015 0.000 0.249 801 V C 2.218 178.282 176.094 -0.050 0.000 1.057 801 V CA 2.260 64.463 62.300 -0.161 0.000 1.032 801 V CB -0.687 31.065 31.823 -0.119 0.000 0.645 801 V HN 0.521 nan 8.190 nan 0.000 0.447 802 I N -0.719 119.849 120.570 -0.003 0.000 2.264 802 I HA -0.252 3.909 4.170 -0.015 0.000 0.248 802 I C 2.684 178.847 176.117 0.077 0.000 1.111 802 I CA 1.533 62.882 61.300 0.082 0.000 1.382 802 I CB -0.428 37.676 38.000 0.172 0.000 1.060 802 I HN 0.224 nan 8.210 nan 0.000 0.418 803 R N 0.433 120.955 120.500 0.036 0.000 2.148 803 R HA -0.101 4.230 4.340 -0.015 0.000 0.227 803 R C 1.987 178.317 176.300 0.050 0.000 1.103 803 R CA 1.125 57.247 56.100 0.036 0.000 0.983 803 R CB -0.418 29.888 30.300 0.010 0.000 0.874 803 R HN 0.549 nan 8.270 nan 0.000 0.451 804 N N 0.706 119.425 118.700 0.032 0.000 2.092 804 N HA -0.078 4.653 4.740 -0.015 0.000 0.189 804 N C 1.988 177.554 175.510 0.094 0.000 1.040 804 N CA 1.058 54.150 53.050 0.071 0.000 0.845 804 N CB -0.060 38.427 38.487 -0.001 0.000 1.017 804 N HN 0.095 nan 8.380 nan 0.000 0.426 805 I N 1.699 122.310 120.570 0.068 0.000 2.194 805 I HA -0.267 3.894 4.170 -0.015 0.000 0.246 805 I C 2.422 178.589 176.117 0.082 0.000 1.093 805 I CA 1.012 62.359 61.300 0.078 0.000 1.355 805 I CB -0.316 37.723 38.000 0.065 0.000 1.046 805 I HN 0.126 nan 8.210 nan 0.000 0.413 806 A N 0.169 123.036 122.820 0.079 0.000 2.067 806 A HA -0.142 4.169 4.320 -0.015 0.000 0.219 806 A C 2.045 179.667 177.584 0.063 0.000 1.158 806 A CA 1.933 54.007 52.037 0.062 0.000 0.661 806 A CB -0.788 18.251 19.000 0.064 0.000 0.801 806 A HN 0.538 nan 8.150 nan 0.000 0.452 807 T N -2.926 111.683 114.554 0.091 0.000 3.174 807 T HA 0.174 4.515 4.350 -0.015 0.000 0.269 807 T C 1.119 175.919 174.700 0.167 0.000 1.017 807 T CA 0.602 62.761 62.100 0.099 0.000 0.899 807 T CB -0.183 68.743 68.868 0.097 0.000 1.077 807 T HN 0.469 nan 8.240 nan 0.000 0.552 808 S N 0.171 115.985 115.700 0.190 0.000 2.593 808 S HA 0.257 4.717 4.470 -0.015 0.000 0.217 808 S C 2.171 176.911 174.600 0.233 0.000 0.966 808 S CA 0.219 58.611 58.200 0.320 0.000 0.914 808 S CB -0.588 62.765 63.200 0.255 0.000 0.776 808 S HN 0.518 nan 8.310 nan 0.000 0.523 809 G N 2.628 111.480 108.800 0.086 0.000 2.469 809 G HA2 -0.271 3.680 3.960 -0.015 0.000 0.219 809 G HA3 -0.271 3.680 3.960 -0.015 0.000 0.219 809 G C 1.333 176.185 174.900 -0.081 0.000 1.150 809 G CA 0.951 46.065 45.100 0.023 0.000 0.763 809 G HN 0.582 nan 8.290 nan 0.000 0.561 810 K N -0.196 120.027 120.400 -0.296 0.000 2.280 810 K HA -0.007 4.303 4.320 -0.015 0.000 0.202 810 K C 1.069 177.353 176.600 -0.526 0.000 1.047 810 K CA 0.598 56.572 56.287 -0.522 0.000 0.942 810 K CB -0.221 31.780 32.500 -0.831 0.000 0.739 810 K HN 0.437 nan 8.250 nan 0.000 0.457 811 F N 0.582 120.560 119.950 0.048 0.000 2.645 811 F HA 0.143 4.661 4.527 -0.016 0.000 0.300 811 F C 0.716 176.559 175.800 0.072 0.000 1.115 811 F CA -0.650 57.384 58.000 0.057 0.000 1.355 811 F CB 0.572 39.602 39.000 0.051 0.000 1.026 811 F HN -0.144 nan 8.300 nan 0.000 0.536 812 S N 0.332 116.118 115.700 0.143 0.000 2.523 812 S HA 0.083 4.543 4.470 -0.015 0.000 0.275 812 S C 1.417 176.094 174.600 0.129 0.000 1.281 812 S CA -0.248 58.029 58.200 0.128 0.000 1.050 812 S CB 0.828 64.073 63.200 0.076 0.000 0.937 812 S HN 0.348 nan 8.310 nan 0.000 0.492 813 S N 3.428 119.229 115.700 0.168 0.000 2.507 813 S HA -0.087 4.374 4.470 -0.015 0.000 0.235 813 S C 0.949 175.593 174.600 0.072 0.000 0.988 813 S CA 0.734 59.048 58.200 0.189 0.000 0.944 813 S CB -0.362 63.026 63.200 0.312 0.000 0.762 813 S HN 0.793 nan 8.310 nan 0.000 0.526 814 D N 1.978 122.410 120.400 0.052 0.000 2.117 814 D HA -0.091 4.539 4.640 -0.015 0.000 0.197 814 D C 2.107 178.408 176.300 0.003 0.000 0.987 814 D CA 0.836 54.846 54.000 0.017 0.000 0.829 814 D CB -0.362 40.447 40.800 0.015 0.000 0.961 814 D HN 0.275 nan 8.370 nan 0.000 0.460 815 R N 0.836 121.340 120.500 0.007 0.000 2.080 815 R HA -0.111 4.220 4.340 -0.015 0.000 0.236 815 R C 1.975 178.268 176.300 -0.012 0.000 1.137 815 R CA 1.671 57.763 56.100 -0.014 0.000 0.943 815 R CB -0.924 29.355 30.300 -0.035 0.000 0.846 815 R HN 0.144 nan 8.270 nan 0.000 0.431 816 T N 2.243 116.813 114.554 0.026 0.000 2.665 816 T HA -0.161 4.180 4.350 -0.015 0.000 0.268 816 T C 1.946 176.665 174.700 0.032 0.000 1.035 816 T CA 1.558 63.698 62.100 0.066 0.000 1.151 816 T CB -0.154 68.831 68.868 0.194 0.000 0.862 816 T HN 0.124 nan 8.240 nan 0.000 0.438 817 I N 1.579 122.089 120.570 -0.099 0.000 2.252 817 I HA -0.064 4.097 4.170 -0.015 0.000 0.245 817 I C 2.978 179.064 176.117 -0.052 0.000 1.102 817 I CA 0.999 62.203 61.300 -0.161 0.000 1.385 817 I CB -1.666 36.215 38.000 -0.197 0.000 1.064 817 I HN 0.205 nan 8.210 nan 0.000 0.414 818 A N 0.220 123.022 122.820 -0.030 0.000 1.948 818 A HA -0.267 4.044 4.320 -0.015 0.000 0.220 818 A C 2.256 179.801 177.584 -0.065 0.000 1.177 818 A CA 1.699 53.722 52.037 -0.023 0.000 0.636 818 A CB -0.649 18.341 19.000 -0.016 0.000 0.815 818 A HN 0.521 nan 8.150 nan 0.000 0.449 819 Q N -1.910 117.833 119.800 -0.095 0.000 2.079 819 Q HA -0.173 4.158 4.340 -0.015 0.000 0.200 819 Q C 1.946 177.771 176.000 -0.292 0.000 0.974 819 Q CA 1.717 57.419 55.803 -0.169 0.000 0.840 819 Q CB -0.308 28.321 28.738 -0.182 0.000 0.898 819 Q HN 0.833 nan 8.270 nan 0.000 0.430 820 Y N 0.397 120.411 120.300 -0.477 0.000 2.128 820 Y HA -0.299 4.242 4.550 -0.016 0.000 0.284 820 Y C 2.471 177.801 175.900 -0.949 0.000 1.154 820 Y CA 1.269 58.816 58.100 -0.920 0.000 1.149 820 Y CB -0.483 37.120 38.460 -1.429 0.000 0.976 820 Y HN 0.165 nan 8.280 nan 0.000 0.505 821 A N 0.273 122.891 122.820 -0.338 0.000 1.883 821 A HA -0.238 4.073 4.320 -0.015 0.000 0.217 821 A C 2.227 179.826 177.584 0.024 0.000 1.186 821 A CA 2.123 54.203 52.037 0.072 0.000 0.624 821 A CB -0.575 18.534 19.000 0.183 0.000 0.822 821 A HN 0.442 nan 8.150 nan 0.000 0.444 822 R N -0.883 119.588 120.500 -0.047 0.000 2.093 822 R HA -0.003 4.327 4.340 -0.015 0.000 0.224 822 R C 1.760 178.031 176.300 -0.047 0.000 1.101 822 R CA 1.412 57.495 56.100 -0.028 0.000 0.979 822 R CB -0.118 30.162 30.300 -0.033 0.000 0.877 822 R HN 0.655 nan 8.270 nan 0.000 0.441 823 E N -0.587 119.542 120.200 -0.119 0.000 2.431 823 E HA 0.109 4.449 4.350 -0.015 0.000 0.200 823 E C 1.365 177.907 176.600 -0.097 0.000 0.995 823 E CA 0.349 56.684 56.400 -0.109 0.000 0.915 823 E CB 0.595 30.204 29.700 -0.152 0.000 0.930 823 E HN 0.263 nan 8.360 nan 0.000 0.496 824 I N -1.022 119.450 120.570 -0.164 0.000 3.570 824 I HA 0.023 4.183 4.170 -0.015 0.000 0.270 824 I C 1.388 177.622 176.117 0.195 0.000 1.162 824 I CA -0.046 61.212 61.300 -0.071 0.000 1.413 824 I CB 0.226 38.031 38.000 -0.326 0.000 1.437 824 I HN 0.108 nan 8.210 nan 0.000 0.457 825 W N 1.441 122.829 121.300 0.147 0.000 2.576 825 W HA 0.332 4.983 4.660 -0.015 0.000 0.270 825 W C 1.423 177.971 176.519 0.048 0.000 1.255 825 W CA 0.854 58.265 57.345 0.111 0.000 1.314 825 W CB -1.082 28.431 29.460 0.089 0.000 1.101 825 W HN 0.306 nan 8.180 nan 0.000 0.595 826 G N 1.283 110.213 108.800 0.218 0.000 2.289 826 G HA2 -0.085 3.866 3.960 -0.015 0.000 0.280 826 G HA3 -0.085 3.866 3.960 -0.015 0.000 0.280 826 G C -0.406 174.558 174.900 0.107 0.000 1.089 826 G CA 0.185 45.355 45.100 0.117 0.000 0.939 826 G HN 0.403 nan 8.290 nan 0.000 0.499 827 V N -4.044 115.952 119.914 0.138 0.000 2.876 827 V HA 0.897 5.008 4.120 -0.015 0.000 0.312 827 V C -0.329 175.821 176.094 0.093 0.000 1.085 827 V CA -1.728 60.636 62.300 0.106 0.000 0.945 827 V CB 2.333 34.226 31.823 0.117 0.000 1.017 827 V HN 0.146 nan 8.190 nan 0.000 0.428 828 E N 3.186 123.425 120.200 0.065 0.000 2.174 828 E HA 0.532 4.873 4.350 -0.015 0.000 0.282 828 E C -2.536 174.101 176.600 0.061 0.000 0.992 828 E CA -1.802 54.631 56.400 0.055 0.000 0.803 828 E CB 1.681 31.406 29.700 0.042 0.000 1.090 828 E HN 0.684 nan 8.360 nan 0.000 0.396 829 P HA 0.063 nan 4.420 nan 0.000 0.269 829 P C -0.665 176.665 177.300 0.050 0.000 1.215 829 P CA -0.141 62.993 63.100 0.057 0.000 0.780 829 P CB 0.686 32.413 31.700 0.046 0.000 0.898 830 S N 1.310 117.042 115.700 0.054 0.000 2.571 830 S HA 0.353 4.814 4.470 -0.015 0.000 0.284 830 S C 0.390 175.017 174.600 0.044 0.000 1.128 830 S CA -0.753 57.477 58.200 0.051 0.000 0.970 830 S CB 0.973 64.212 63.200 0.064 0.000 1.039 830 S HN 0.232 nan 8.310 nan 0.000 0.485 831 R N 2.236 122.757 120.500 0.035 0.000 2.334 831 R HA 0.194 4.524 4.340 -0.015 0.000 0.216 831 R C -0.005 176.308 176.300 0.021 0.000 0.905 831 R CA 0.083 56.201 56.100 0.031 0.000 1.064 831 R CB 0.088 30.407 30.300 0.031 0.000 1.046 831 R HN 0.701 nan 8.270 nan 0.000 0.508 832 Q N 1.012 120.824 119.800 0.020 0.000 2.332 832 Q HA 0.097 4.428 4.340 -0.015 0.000 0.263 832 Q C -0.256 175.735 176.000 -0.014 0.000 0.979 832 Q CA 0.118 55.924 55.803 0.005 0.000 0.885 832 Q CB 0.890 29.635 28.738 0.012 0.000 1.218 832 Q HN -0.189 nan 8.270 nan 0.000 0.405 833 R N 1.489 121.971 120.500 -0.031 0.000 2.643 833 R HA 0.177 4.508 4.340 -0.015 0.000 0.270 833 R C -0.436 175.815 176.300 -0.082 0.000 1.061 833 R CA 0.098 56.166 56.100 -0.054 0.000 1.107 833 R CB 0.353 30.620 30.300 -0.054 0.000 0.999 833 R HN 0.496 nan 8.270 nan 0.000 0.460 834 L N 5.325 126.481 121.223 -0.110 0.000 2.375 834 L HA 0.380 4.711 4.340 -0.015 0.000 0.271 834 L C -1.711 175.094 176.870 -0.108 0.000 1.107 834 L CA -2.071 52.674 54.840 -0.160 0.000 0.806 834 L CB 1.154 43.092 42.059 -0.202 0.000 1.146 834 L HN 0.476 nan 8.230 nan 0.000 0.447 835 P HA 0.085 nan 4.420 nan 0.000 0.268 835 P C -0.765 176.505 177.300 -0.051 0.000 1.204 835 P CA -0.199 62.864 63.100 -0.063 0.000 0.768 835 P CB 0.940 32.609 31.700 -0.051 0.000 0.842 836 A N 0.000 122.798 122.820 -0.036 0.000 2.254 836 A HA 0.000 4.311 4.320 -0.015 0.000 0.244 836 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 836 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486