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 1p4h_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.775 55.803 -0.047 0.000 1.022 12 Q CB 0.000 28.708 28.738 -0.050 0.000 1.108 13 I N -0.561 119.999 120.570 -0.017 0.000 2.525 13 I HA 0.768 4.934 4.170 -0.008 0.000 0.301 13 I C 1.408 177.526 176.117 0.001 0.000 0.992 13 I CA -0.031 61.266 61.300 -0.004 0.000 1.162 13 I CB 2.282 40.285 38.000 0.004 0.000 1.332 13 I HN 0.911 nan 8.210 nan 0.000 0.458 14 S N 3.889 119.595 115.700 0.009 0.000 2.365 14 S HA -0.211 4.255 4.470 -0.008 0.000 0.225 14 S C 1.781 176.392 174.600 0.018 0.000 1.039 14 S CA 1.529 59.737 58.200 0.013 0.000 1.033 14 S CB -1.320 61.893 63.200 0.021 0.000 0.887 14 S HN 0.931 nan 8.310 nan 0.000 0.447 15 V N -0.162 119.771 119.914 0.032 0.000 2.982 15 V HA 0.065 4.181 4.120 -0.008 0.000 0.265 15 V C 2.016 178.126 176.094 0.027 0.000 1.122 15 V CA 1.522 63.845 62.300 0.038 0.000 1.143 15 V CB -1.197 30.657 31.823 0.052 0.000 0.726 15 V HN 0.429 nan 8.190 nan 0.000 0.507 16 R N 1.203 121.710 120.500 0.012 0.000 2.356 16 R HA 0.436 4.771 4.340 -0.008 0.000 0.234 16 R C 1.129 177.421 176.300 -0.014 0.000 0.929 16 R CA 0.528 56.628 56.100 -0.000 0.000 1.084 16 R CB -0.014 30.282 30.300 -0.006 0.000 1.105 16 R HN 0.776 nan 8.270 nan 0.000 0.515 17 G N 0.770 109.561 108.800 -0.015 0.000 2.796 17 G HA2 -0.227 3.729 3.960 -0.008 0.000 0.571 17 G HA3 -0.227 3.729 3.960 -0.008 0.000 0.571 17 G C -0.803 174.081 174.900 -0.027 0.000 1.370 17 G CA -1.058 44.025 45.100 -0.029 0.000 0.856 17 G HN -0.012 nan 8.290 nan 0.000 0.538 18 L N 0.281 121.485 121.223 -0.031 0.000 2.375 18 L HA 0.667 5.002 4.340 -0.008 0.000 0.271 18 L C 1.285 178.139 176.870 -0.026 0.000 1.107 18 L CA 0.372 55.197 54.840 -0.026 0.000 0.806 18 L CB 1.061 43.106 42.059 -0.023 0.000 1.146 18 L HN 1.530 nan 8.230 nan 0.000 0.447 19 A N 2.149 124.956 122.820 -0.021 0.000 3.232 19 A HA 0.555 4.870 4.320 -0.008 0.000 0.312 19 A C 0.797 178.375 177.584 -0.010 0.000 1.185 19 A CA -0.306 51.721 52.037 -0.017 0.000 1.011 19 A CB -0.536 18.453 19.000 -0.018 0.000 1.096 19 A HN 0.804 nan 8.150 nan 0.000 0.543 20 G N -0.396 108.398 108.800 -0.010 0.000 2.562 20 G HA2 0.293 4.248 3.960 -0.008 0.000 0.233 20 G HA3 0.293 4.248 3.960 -0.008 0.000 0.233 20 G C 1.033 175.935 174.900 0.004 0.000 1.266 20 G CA 0.120 45.218 45.100 -0.003 0.000 0.852 20 G HN 0.416 nan 8.290 nan 0.000 0.581 21 V N 1.599 121.517 119.914 0.006 0.000 2.261 21 V HA -0.154 3.961 4.120 -0.008 0.000 0.246 21 V C 2.703 178.807 176.094 0.016 0.000 1.047 21 V CA 2.398 64.704 62.300 0.011 0.000 1.015 21 V CB -0.763 31.065 31.823 0.009 0.000 0.642 21 V HN 0.766 nan 8.190 nan 0.000 0.446 22 E N 0.470 120.680 120.200 0.016 0.000 2.077 22 E HA -0.194 4.152 4.350 -0.008 0.000 0.193 22 E C 2.079 178.699 176.600 0.033 0.000 0.989 22 E CA 1.643 58.056 56.400 0.023 0.000 0.800 22 E CB -0.325 29.387 29.700 0.021 0.000 0.746 22 E HN 0.612 nan 8.360 nan 0.000 0.452 23 N N -0.936 117.781 118.700 0.030 0.000 2.188 23 N HA -0.113 4.623 4.740 -0.008 0.000 0.184 23 N C 1.542 177.078 175.510 0.043 0.000 1.018 23 N CA 0.876 53.950 53.050 0.040 0.000 0.858 23 N CB 0.062 38.558 38.487 0.015 0.000 0.989 23 N HN -0.032 nan 8.380 nan 0.000 0.426 24 V N 0.117 120.048 119.914 0.028 0.000 2.407 24 V HA -0.215 3.901 4.120 -0.008 0.000 0.248 24 V C 1.980 178.097 176.094 0.037 0.000 1.055 24 V CA 1.778 64.095 62.300 0.028 0.000 1.049 24 V CB -0.819 31.015 31.823 0.019 0.000 0.662 24 V HN 0.410 nan 8.190 nan 0.000 0.455 25 T N -0.518 114.057 114.554 0.036 0.000 2.708 25 T HA -0.213 4.132 4.350 -0.008 0.000 0.266 25 T C 1.923 176.657 174.700 0.057 0.000 1.037 25 T CA 1.759 63.882 62.100 0.038 0.000 1.146 25 T CB -0.194 68.692 68.868 0.030 0.000 0.865 25 T HN 0.480 nan 8.240 nan 0.000 0.435 26 E N 0.789 121.029 120.200 0.068 0.000 2.077 26 E HA -0.087 4.259 4.350 -0.008 0.000 0.193 26 E C 1.937 178.613 176.600 0.128 0.000 0.989 26 E CA 0.785 57.238 56.400 0.089 0.000 0.800 26 E CB -0.527 29.232 29.700 0.099 0.000 0.746 26 E HN 0.173 nan 8.360 nan 0.000 0.452 27 L N 0.860 122.168 121.223 0.141 0.000 2.042 27 L HA -0.144 4.191 4.340 -0.008 0.000 0.210 27 L C 2.125 179.107 176.870 0.187 0.000 1.076 27 L CA 1.826 56.777 54.840 0.184 0.000 0.749 27 L CB -0.669 41.470 42.059 0.134 0.000 0.893 27 L HN 0.090 nan 8.230 nan 0.000 0.432 28 K N -0.262 120.207 120.400 0.116 0.000 2.026 28 K HA -0.205 4.111 4.320 -0.008 0.000 0.208 28 K C 1.998 178.700 176.600 0.171 0.000 1.048 28 K CA 1.782 58.130 56.287 0.102 0.000 0.929 28 K CB -0.138 32.380 32.500 0.030 0.000 0.713 28 K HN 0.426 nan 8.250 nan 0.000 0.439 29 K N 0.336 120.813 120.400 0.128 0.000 2.097 29 K HA -0.066 4.250 4.320 -0.008 0.000 0.205 29 K C 1.625 178.307 176.600 0.135 0.000 1.050 29 K CA 1.352 57.708 56.287 0.115 0.000 0.938 29 K CB -0.183 32.360 32.500 0.072 0.000 0.718 29 K HN 0.024 nan 8.250 nan 0.000 0.442 30 N N 0.507 119.297 118.700 0.150 0.000 2.270 30 N HA -0.108 4.628 4.740 -0.008 0.000 0.181 30 N C 1.584 177.230 175.510 0.226 0.000 1.016 30 N CA 0.923 54.048 53.050 0.125 0.000 0.870 30 N CB -0.217 38.354 38.487 0.140 0.000 0.979 30 N HN 0.218 nan 8.380 nan 0.000 0.431 31 F N 2.463 122.504 119.950 0.152 0.000 2.102 31 F HA -0.067 4.455 4.527 -0.007 0.000 0.298 31 F C 1.995 177.894 175.800 0.165 0.000 1.105 31 F CA 1.215 59.325 58.000 0.182 0.000 1.239 31 F CB -0.123 38.957 39.000 0.134 0.000 0.991 31 F HN -0.040 nan 8.300 nan 0.000 0.474 32 N N 0.494 119.414 118.700 0.366 0.000 2.244 32 N HA -0.168 4.567 4.740 -0.008 0.000 0.183 32 N C 2.017 177.595 175.510 0.114 0.000 1.016 32 N CA 1.052 54.238 53.050 0.227 0.000 0.866 32 N CB -0.503 38.099 38.487 0.192 0.000 0.980 32 N HN 0.377 nan 8.380 nan 0.000 0.430 33 R N 0.352 120.918 120.500 0.109 0.000 2.073 33 R HA -0.097 4.238 4.340 -0.008 0.000 0.234 33 R C 1.824 178.199 176.300 0.126 0.000 1.134 33 R CA 1.483 57.672 56.100 0.149 0.000 0.952 33 R CB -0.224 30.101 30.300 0.041 0.000 0.850 33 R HN 0.372 nan 8.270 nan 0.000 0.433 34 H N -0.432 118.676 119.070 0.062 0.000 2.357 34 H HA -0.123 4.428 4.556 -0.008 0.000 0.301 34 H C 1.905 177.158 175.328 -0.126 0.000 1.082 34 H CA 1.399 57.417 56.048 -0.051 0.000 1.342 34 H CB 0.078 29.774 29.762 -0.111 0.000 1.389 34 H HN 0.135 nan 8.280 nan 0.000 0.511 35 L N 0.013 121.208 121.223 -0.047 0.000 2.083 35 L HA -0.191 4.144 4.340 -0.008 0.000 0.209 35 L C 2.160 178.998 176.870 -0.053 0.000 1.083 35 L CA 1.840 56.622 54.840 -0.098 0.000 0.752 35 L CB -0.429 41.581 42.059 -0.082 0.000 0.899 35 L HN 0.296 nan 8.230 nan 0.000 0.433 36 H N -1.674 117.304 119.070 -0.153 0.000 2.266 36 H HA -0.050 4.502 4.556 -0.008 0.000 0.308 36 H C 1.807 176.923 175.328 -0.353 0.000 1.057 36 H CA 2.238 58.103 56.048 -0.306 0.000 1.330 36 H CB -0.321 29.149 29.762 -0.486 0.000 1.400 36 H HN 0.271 nan 8.280 nan 0.000 0.503 37 F N -0.276 119.661 119.950 -0.021 0.000 2.206 37 F HA -0.043 4.479 4.527 -0.008 0.000 0.298 37 F C 2.596 178.324 175.800 -0.121 0.000 1.090 37 F CA 1.440 59.382 58.000 -0.098 0.000 1.323 37 F CB -0.466 38.515 39.000 -0.031 0.000 1.028 37 F HN 0.196 nan 8.300 nan 0.000 0.492 38 T N -0.437 114.151 114.554 0.056 0.000 2.901 38 T HA 0.023 4.368 4.350 -0.008 0.000 0.252 38 T C 1.654 176.250 174.700 -0.173 0.000 1.035 38 T CA 0.725 62.777 62.100 -0.079 0.000 1.142 38 T CB -0.162 68.615 68.868 -0.152 0.000 0.869 38 T HN -0.054 nan 8.240 nan 0.000 0.442 39 L N 0.987 122.109 121.223 -0.169 0.000 2.529 39 L HA 0.302 4.637 4.340 -0.008 0.000 0.223 39 L C 0.644 177.413 176.870 -0.168 0.000 1.113 39 L CA 0.230 54.962 54.840 -0.180 0.000 0.861 39 L CB -0.593 41.369 42.059 -0.162 0.000 1.012 39 L HN 0.017 nan 8.230 nan 0.000 0.461 40 V N 0.274 120.073 119.914 -0.192 0.000 5.949 40 V HA -0.308 3.808 4.120 -0.008 0.000 0.287 40 V C 0.440 176.419 176.094 -0.192 0.000 0.603 40 V CA 0.914 63.074 62.300 -0.233 0.000 0.608 40 V CB -2.086 29.630 31.823 -0.179 0.000 0.259 40 V HN 0.438 nan 8.190 nan 0.000 0.742 41 K N 0.637 120.931 120.400 -0.176 0.000 2.509 41 K HA 0.694 5.009 4.320 -0.008 0.000 0.266 41 K C -0.608 175.958 176.600 -0.057 0.000 0.987 41 K CA -0.564 55.654 56.287 -0.115 0.000 0.868 41 K CB 2.791 35.221 32.500 -0.117 0.000 1.421 41 K HN 0.490 nan 8.250 nan 0.000 0.444 42 D N -0.738 119.650 120.400 -0.020 0.000 2.374 42 D HA 0.321 4.957 4.640 -0.008 0.000 0.239 42 D C 0.707 177.038 176.300 0.051 0.000 0.991 42 D CA -0.771 53.251 54.000 0.036 0.000 0.960 42 D CB 1.074 41.892 40.800 0.031 0.000 1.284 42 D HN 0.099 nan 8.370 nan 0.000 0.512 43 R N 0.458 121.019 120.500 0.102 0.000 2.200 43 R HA -0.063 4.273 4.340 -0.008 0.000 0.234 43 R C 0.871 177.241 176.300 0.118 0.000 1.127 43 R CA 0.633 56.831 56.100 0.163 0.000 0.989 43 R CB -0.709 29.695 30.300 0.172 0.000 0.869 43 R HN 0.550 nan 8.270 nan 0.000 0.459 44 N N 0.324 119.062 118.700 0.064 0.000 2.331 44 N HA -0.087 4.648 4.740 -0.008 0.000 0.180 44 N C 1.505 177.032 175.510 0.027 0.000 1.019 44 N CA 1.406 54.483 53.050 0.045 0.000 0.881 44 N CB 0.326 38.830 38.487 0.028 0.000 0.972 44 N HN 0.210 nan 8.380 nan 0.000 0.435 45 V N -3.038 116.878 119.914 0.005 0.000 3.477 45 V HA 0.526 4.642 4.120 -0.008 0.000 0.297 45 V C 0.684 176.738 176.094 -0.066 0.000 1.433 45 V CA -0.619 61.668 62.300 -0.021 0.000 1.052 45 V CB -0.201 31.605 31.823 -0.028 0.000 0.895 45 V HN 0.026 nan 8.190 nan 0.000 0.438 46 A N 2.103 124.859 122.820 -0.107 0.000 2.440 46 A HA 0.607 4.922 4.320 -0.008 0.000 0.251 46 A C 0.729 178.108 177.584 -0.342 0.000 1.089 46 A CA 0.763 52.614 52.037 -0.310 0.000 0.779 46 A CB -0.030 18.646 19.000 -0.540 0.000 1.022 46 A HN 0.801 nan 8.150 nan 0.000 0.492 47 T N 0.142 114.504 114.554 -0.321 0.000 2.948 47 T HA 0.576 4.922 4.350 -0.008 0.000 0.285 47 T C -2.167 172.440 174.700 -0.156 0.000 1.019 47 T CA -1.811 60.198 62.100 -0.152 0.000 1.013 47 T CB 1.284 70.116 68.868 -0.060 0.000 1.117 47 T HN 0.233 nan 8.240 nan 0.000 0.533 48 P HA -0.092 nan 4.420 nan 0.000 0.217 48 P C 1.601 179.013 177.300 0.188 0.000 1.148 48 P CA 0.930 64.168 63.100 0.231 0.000 0.828 48 P CB 0.061 31.864 31.700 0.173 0.000 0.783 49 R N -0.005 120.553 120.500 0.097 0.000 2.081 49 R HA -0.138 4.198 4.340 -0.008 0.000 0.235 49 R C 1.671 178.149 176.300 0.297 0.000 1.131 49 R CA 1.776 57.979 56.100 0.171 0.000 0.960 49 R CB -0.674 29.655 30.300 0.048 0.000 0.856 49 R HN 0.098 nan 8.270 nan 0.000 0.436 50 D N -0.340 120.108 120.400 0.080 0.000 2.117 50 D HA -0.188 4.447 4.640 -0.008 0.000 0.197 50 D C 1.725 178.048 176.300 0.039 0.000 0.987 50 D CA 1.300 55.303 54.000 0.004 0.000 0.829 50 D CB -0.287 40.370 40.800 -0.237 0.000 0.961 50 D HN 0.305 nan 8.370 nan 0.000 0.460 51 Y N 0.088 120.492 120.300 0.173 0.000 2.224 51 Y HA -0.203 4.342 4.550 -0.007 0.000 0.289 51 Y C 2.316 178.347 175.900 0.218 0.000 1.146 51 Y CA 0.309 58.551 58.100 0.236 0.000 1.182 51 Y CB -1.102 37.556 38.460 0.329 0.000 0.983 51 Y HN 0.093 nan 8.280 nan 0.000 0.524 52 Y N -0.539 119.905 120.300 0.240 0.000 2.145 52 Y HA -0.265 4.281 4.550 -0.008 0.000 0.286 52 Y C 1.931 177.798 175.900 -0.055 0.000 1.145 52 Y CA 1.224 59.361 58.100 0.062 0.000 1.148 52 Y CB -1.128 37.271 38.460 -0.102 0.000 0.981 52 Y HN 0.044 nan 8.280 nan 0.000 0.507 53 F N 0.226 119.951 119.950 -0.374 0.000 2.186 53 F HA -0.108 4.415 4.527 -0.007 0.000 0.299 53 F C 2.636 178.282 175.800 -0.255 0.000 1.090 53 F CA 1.274 59.009 58.000 -0.441 0.000 1.307 53 F CB -0.805 38.105 39.000 -0.149 0.000 1.019 53 F HN 0.198 nan 8.300 nan 0.000 0.489 54 A N -0.140 122.623 122.820 -0.094 0.000 1.902 54 A HA -0.181 4.134 4.320 -0.008 0.000 0.217 54 A C 2.066 179.531 177.584 -0.199 0.000 1.181 54 A CA 1.581 53.437 52.037 -0.303 0.000 0.623 54 A CB -1.015 17.461 19.000 -0.873 0.000 0.818 54 A HN 0.346 nan 8.150 nan 0.000 0.443 55 L N -0.253 120.965 121.223 -0.009 0.000 2.056 55 L HA -0.021 4.315 4.340 -0.008 0.000 0.207 55 L C 2.673 179.546 176.870 0.005 0.000 1.078 55 L CA 2.164 57.132 54.840 0.214 0.000 0.749 55 L CB -0.878 41.372 42.059 0.318 0.000 0.901 55 L HN 0.340 nan 8.230 nan 0.000 0.433 56 A N -1.157 121.489 122.820 -0.289 0.000 1.883 56 A HA -0.291 4.024 4.320 -0.008 0.000 0.217 56 A C 2.141 179.395 177.584 -0.550 0.000 1.186 56 A CA 2.080 53.827 52.037 -0.483 0.000 0.624 56 A CB -1.130 17.250 19.000 -1.034 0.000 0.822 56 A HN 0.678 nan 8.150 nan 0.000 0.444 57 H N -0.787 117.983 119.070 -0.501 0.000 2.423 57 H HA -0.046 4.505 4.556 -0.008 0.000 0.297 57 H C 2.309 177.401 175.328 -0.393 0.000 1.075 57 H CA 1.911 57.588 56.048 -0.617 0.000 1.342 57 H CB -0.188 28.916 29.762 -1.096 0.000 1.395 57 H HN 0.470 nan 8.280 nan 0.000 0.530 58 T N -0.398 114.146 114.554 -0.016 0.000 2.777 58 T HA -0.117 4.229 4.350 -0.008 0.000 0.266 58 T C 2.261 177.133 174.700 0.286 0.000 1.040 58 T CA 1.292 63.548 62.100 0.259 0.000 1.141 58 T CB -0.355 68.723 68.868 0.351 0.000 0.868 58 T HN 0.098 nan 8.240 nan 0.000 0.444 59 V N 1.625 121.684 119.914 0.243 0.000 2.358 59 V HA -0.125 3.991 4.120 -0.008 0.000 0.246 59 V C 2.617 178.898 176.094 0.312 0.000 1.047 59 V CA 1.623 64.114 62.300 0.318 0.000 1.035 59 V CB -0.641 31.364 31.823 0.303 0.000 0.658 59 V HN 0.375 nan 8.190 nan 0.000 0.452 60 R N 0.317 120.940 120.500 0.204 0.000 2.103 60 R HA -0.236 4.099 4.340 -0.008 0.000 0.242 60 R C 1.974 178.366 176.300 0.153 0.000 1.142 60 R CA 2.233 58.440 56.100 0.179 0.000 0.960 60 R CB -0.476 29.755 30.300 -0.115 0.000 0.858 60 R HN 0.468 nan 8.270 nan 0.000 0.439 61 D N -0.060 120.408 120.400 0.114 0.000 2.158 61 D HA -0.183 4.453 4.640 -0.008 0.000 0.197 61 D C 1.714 178.010 176.300 -0.007 0.000 0.995 61 D CA 1.196 55.229 54.000 0.055 0.000 0.846 61 D CB -0.422 40.391 40.800 0.022 0.000 0.941 61 D HN 0.470 nan 8.370 nan 0.000 0.456 62 H N -0.353 118.784 119.070 0.112 0.000 2.521 62 H HA 0.040 4.592 4.556 -0.007 0.000 0.286 62 H C 2.183 177.555 175.328 0.073 0.000 1.034 62 H CA 0.386 56.483 56.048 0.082 0.000 1.278 62 H CB 0.320 30.122 29.762 0.067 0.000 1.386 62 H HN 0.220 nan 8.280 nan 0.000 0.567 63 L N 0.291 121.623 121.223 0.182 0.000 2.168 63 L HA -0.098 4.237 4.340 -0.008 0.000 0.203 63 L C 2.762 179.747 176.870 0.192 0.000 1.078 63 L CA 0.482 55.400 54.840 0.130 0.000 0.780 63 L CB -0.231 41.872 42.059 0.073 0.000 0.939 63 L HN 0.088 nan 8.230 nan 0.000 0.451 64 V N -1.715 118.340 119.914 0.235 0.000 2.278 64 V HA -0.232 3.883 4.120 -0.008 0.000 0.251 64 V C 2.336 178.551 176.094 0.202 0.000 1.062 64 V CA 2.199 64.673 62.300 0.290 0.000 1.038 64 V CB -1.983 29.961 31.823 0.203 0.000 0.646 64 V HN 0.420 nan 8.190 nan 0.000 0.447 65 G N 0.052 108.925 108.800 0.122 0.000 2.491 65 G HA2 -0.277 3.678 3.960 -0.008 0.000 0.218 65 G HA3 -0.277 3.678 3.960 -0.008 0.000 0.218 65 G C 1.772 176.724 174.900 0.086 0.000 1.180 65 G CA 1.126 46.273 45.100 0.078 0.000 0.774 65 G HN 0.540 nan 8.290 nan 0.000 0.562 66 R N -1.514 119.046 120.500 0.099 0.000 2.115 66 R HA -0.058 4.278 4.340 -0.008 0.000 0.230 66 R C 2.249 178.634 176.300 0.141 0.000 1.111 66 R CA 1.006 57.151 56.100 0.076 0.000 0.976 66 R CB -0.318 30.008 30.300 0.044 0.000 0.870 66 R HN 0.500 nan 8.270 nan 0.000 0.445 67 W N 1.455 122.740 121.300 -0.025 0.000 2.355 67 W HA -0.088 4.568 4.660 -0.007 0.000 0.309 67 W C 1.635 178.132 176.519 -0.036 0.000 1.206 67 W CA 0.995 58.323 57.345 -0.028 0.000 1.284 67 W CB -0.589 28.873 29.460 0.004 0.000 1.145 67 W HN -0.027 nan 8.180 nan 0.000 0.502 68 I N 1.048 121.686 120.570 0.113 0.000 2.226 68 I HA -0.338 3.828 4.170 -0.008 0.000 0.245 68 I C 2.607 178.714 176.117 -0.017 0.000 1.100 68 I CA 1.915 63.195 61.300 -0.034 0.000 1.374 68 I CB -0.570 37.411 38.000 -0.031 0.000 1.057 68 I HN -0.013 nan 8.210 nan 0.000 0.413 69 R N 0.115 120.618 120.500 0.005 0.000 2.148 69 R HA -0.028 4.307 4.340 -0.008 0.000 0.223 69 R C 1.964 178.233 176.300 -0.052 0.000 1.088 69 R CA 1.382 57.474 56.100 -0.013 0.000 0.985 69 R CB -1.140 29.149 30.300 -0.017 0.000 0.880 69 R HN 0.201 nan 8.270 nan 0.000 0.451 70 T N 1.624 116.127 114.554 -0.085 0.000 2.674 70 T HA -0.103 4.242 4.350 -0.008 0.000 0.265 70 T C 1.828 176.274 174.700 -0.423 0.000 1.039 70 T CA 1.279 63.222 62.100 -0.263 0.000 1.150 70 T CB -0.101 68.651 68.868 -0.194 0.000 0.864 70 T HN 0.203 nan 8.240 nan 0.000 0.427 71 Q N 0.836 120.533 119.800 -0.172 0.000 2.124 71 Q HA -0.086 4.250 4.340 -0.008 0.000 0.202 71 Q C 2.356 178.372 176.000 0.026 0.000 0.977 71 Q CA 1.327 57.101 55.803 -0.048 0.000 0.850 71 Q CB -0.579 28.158 28.738 -0.002 0.000 0.901 71 Q HN 0.470 nan 8.270 nan 0.000 0.429 72 Q N 0.024 119.833 119.800 0.014 0.000 2.124 72 Q HA -0.176 4.159 4.340 -0.008 0.000 0.202 72 Q C 1.862 177.952 176.000 0.150 0.000 0.977 72 Q CA 1.822 57.679 55.803 0.090 0.000 0.850 72 Q CB -0.353 28.417 28.738 0.055 0.000 0.901 72 Q HN 0.544 nan 8.270 nan 0.000 0.429 73 H N -0.892 118.149 119.070 -0.048 0.000 2.321 73 H HA -0.164 4.388 4.556 -0.008 0.000 0.300 73 H C 1.105 176.488 175.328 0.092 0.000 1.087 73 H CA 2.243 58.268 56.048 -0.039 0.000 1.319 73 H CB -0.362 29.301 29.762 -0.165 0.000 1.379 73 H HN 0.344 nan 8.280 nan 0.000 0.501 74 Y N -1.006 119.321 120.300 0.044 0.000 2.274 74 Y HA -0.188 4.358 4.550 -0.008 0.000 0.290 74 Y C 2.406 178.324 175.900 0.031 0.000 1.145 74 Y CA 1.030 59.123 58.100 -0.013 0.000 1.203 74 Y CB -1.276 37.243 38.460 0.097 0.000 0.984 74 Y HN 0.365 nan 8.280 nan 0.000 0.533 75 Y N 1.241 121.613 120.300 0.121 0.000 2.200 75 Y HA -0.156 4.389 4.550 -0.008 0.000 0.290 75 Y C 2.073 177.978 175.900 0.008 0.000 1.137 75 Y CA 1.573 59.709 58.100 0.060 0.000 1.163 75 Y CB -0.098 38.388 38.460 0.043 0.000 0.988 75 Y HN 0.052 nan 8.280 nan 0.000 0.518 76 E N 0.201 120.363 120.200 -0.063 0.000 2.028 76 E HA -0.142 4.203 4.350 -0.008 0.000 0.190 76 E C 1.893 178.386 176.600 -0.177 0.000 0.984 76 E CA 1.158 57.465 56.400 -0.154 0.000 0.800 76 E CB -0.187 29.495 29.700 -0.030 0.000 0.758 76 E HN 0.384 nan 8.360 nan 0.000 0.448 77 K N 0.873 121.158 120.400 -0.191 0.000 2.366 77 K HA -0.058 4.257 4.320 -0.008 0.000 0.198 77 K C 0.156 176.684 176.600 -0.120 0.000 1.044 77 K CA 0.426 56.609 56.287 -0.173 0.000 0.973 77 K CB -0.409 31.928 32.500 -0.272 0.000 0.767 77 K HN 0.086 nan 8.250 nan 0.000 0.475 78 D N 1.119 121.459 120.400 -0.100 0.000 2.735 78 D HA -0.113 4.522 4.640 -0.008 0.000 0.235 78 D C -2.190 174.080 176.300 -0.051 0.000 1.175 78 D CA 0.114 54.074 54.000 -0.067 0.000 0.683 78 D CB -0.174 40.559 40.800 -0.112 0.000 1.008 78 D HN 0.201 nan 8.370 nan 0.000 0.416 79 P HA 0.107 nan 4.420 nan 0.000 0.279 79 P C -0.188 177.068 177.300 -0.073 0.000 1.282 79 P CA -0.648 62.413 63.100 -0.065 0.000 0.788 79 P CB 0.631 32.280 31.700 -0.085 0.000 1.139 80 K N 0.905 121.264 120.400 -0.068 0.000 2.412 80 K HA 0.075 4.390 4.320 -0.008 0.000 0.281 80 K C 0.152 176.665 176.600 -0.144 0.000 1.027 80 K CA -0.250 55.992 56.287 -0.075 0.000 0.989 80 K CB 0.349 32.822 32.500 -0.045 0.000 0.935 80 K HN 0.295 nan 8.250 nan 0.000 0.475 81 R N 4.318 124.719 120.500 -0.164 0.000 2.368 81 R HA 0.355 4.691 4.340 -0.008 0.000 0.302 81 R C -0.200 175.821 176.300 -0.466 0.000 1.002 81 R CA -0.832 55.087 56.100 -0.301 0.000 0.929 81 R CB 0.731 30.858 30.300 -0.288 0.000 1.073 81 R HN 0.508 nan 8.270 nan 0.000 0.464 82 I N 3.698 123.942 120.570 -0.543 0.000 2.321 82 I HA 0.252 4.418 4.170 -0.008 0.000 0.291 82 I C -0.466 175.339 176.117 -0.521 0.000 0.998 82 I CA -1.018 59.915 61.300 -0.611 0.000 1.227 82 I CB 0.518 38.042 38.000 -0.793 0.000 1.368 82 I HN 0.431 nan 8.210 nan 0.000 0.466 83 Y N 5.972 126.244 120.300 -0.047 0.000 2.356 83 Y HA 0.279 4.824 4.550 -0.007 0.000 0.334 83 Y C -0.285 175.721 175.900 0.176 0.000 0.958 83 Y CA -0.740 57.457 58.100 0.162 0.000 1.196 83 Y CB 1.097 39.611 38.460 0.089 0.000 1.137 83 Y HN 0.389 nan 8.280 nan 0.000 0.485 84 Y N 4.605 125.088 120.300 0.305 0.000 2.518 84 Y HA 0.457 5.003 4.550 -0.007 0.000 0.344 84 Y C -1.175 174.993 175.900 0.446 0.000 0.982 84 Y CA -0.972 57.318 58.100 0.316 0.000 1.234 84 Y CB 0.218 38.870 38.460 0.320 0.000 1.114 84 Y HN 0.502 nan 8.280 nan 0.000 0.515 85 L N 4.833 126.110 121.223 0.090 0.000 2.290 85 L HA 0.479 4.814 4.340 -0.008 0.000 0.284 85 L C -0.146 176.737 176.870 0.022 0.000 1.078 85 L CA 0.144 55.090 54.840 0.175 0.000 0.815 85 L CB 1.264 43.395 42.059 0.121 0.000 1.162 85 L HN 0.581 nan 8.230 nan 0.000 0.435 86 S N 2.513 118.305 115.700 0.153 0.000 2.533 86 S HA 0.479 4.944 4.470 -0.008 0.000 0.271 86 S C 0.103 174.782 174.600 0.132 0.000 1.143 86 S CA -0.531 57.660 58.200 -0.015 0.000 0.891 86 S CB 0.918 63.887 63.200 -0.384 0.000 1.105 86 S HN 0.427 nan 8.310 nan 0.000 0.468 87 L N 2.879 124.225 121.223 0.205 0.000 2.591 87 L HA 0.459 4.795 4.340 -0.008 0.000 0.228 87 L C 0.302 177.371 176.870 0.332 0.000 1.133 87 L CA 0.977 56.008 54.840 0.319 0.000 0.880 87 L CB -0.208 42.064 42.059 0.354 0.000 1.033 87 L HN 0.647 nan 8.230 nan 0.000 0.450 88 E N -1.214 119.048 120.200 0.104 0.000 2.290 88 E HA 0.395 4.740 4.350 -0.008 0.000 0.274 88 E C -1.372 175.099 176.600 -0.215 0.000 0.889 88 E CA -0.408 56.036 56.400 0.073 0.000 0.760 88 E CB 1.854 31.584 29.700 0.050 0.000 1.206 88 E HN -0.161 nan 8.360 nan 0.000 0.419 89 F N 2.191 122.250 119.950 0.181 0.000 2.771 89 F HA 0.173 4.695 4.527 -0.008 0.000 0.365 89 F C -0.809 175.080 175.800 0.148 0.000 1.169 89 F CA -0.758 57.338 58.000 0.159 0.000 1.093 89 F CB 0.950 40.035 39.000 0.143 0.000 1.363 89 F HN 0.497 nan 8.300 nan 0.000 0.496 90 Y N 5.223 125.600 120.300 0.129 0.000 2.636 90 Y HA 0.180 4.726 4.550 -0.007 0.000 0.334 90 Y C 1.080 177.006 175.900 0.044 0.000 1.286 90 Y CA -0.947 57.181 58.100 0.045 0.000 1.688 90 Y CB 0.238 38.708 38.460 0.016 0.000 1.662 90 Y HN 0.537 nan 8.280 nan 0.000 0.465 91 M N 1.206 120.944 119.600 0.229 0.000 2.254 91 M HA 0.090 4.565 4.480 -0.008 0.000 0.265 91 M C 1.596 177.878 176.300 -0.030 0.000 1.066 91 M CA 1.120 56.462 55.300 0.071 0.000 1.123 91 M CB -1.277 31.341 32.600 0.031 0.000 1.388 91 M HN 0.655 nan 8.290 nan 0.000 0.425 92 G N 1.107 109.902 108.800 -0.008 0.000 2.562 92 G HA2 -0.270 3.685 3.960 -0.008 0.000 0.250 92 G HA3 -0.270 3.685 3.960 -0.008 0.000 0.250 92 G C -0.285 174.574 174.900 -0.069 0.000 1.269 92 G CA -0.310 44.744 45.100 -0.077 0.000 0.919 92 G HN 0.442 nan 8.290 nan 0.000 0.574 93 R N -0.648 119.791 120.500 -0.102 0.000 2.582 93 R HA 0.539 4.874 4.340 -0.008 0.000 0.271 93 R C 1.138 177.322 176.300 -0.193 0.000 1.078 93 R CA 0.390 56.438 56.100 -0.088 0.000 1.127 93 R CB 0.639 30.893 30.300 -0.077 0.000 1.038 93 R HN 0.536 nan 8.270 nan 0.000 0.500 94 T N 1.365 115.752 114.554 -0.279 0.000 3.000 94 T HA -0.015 4.331 4.350 -0.008 0.000 0.248 94 T C 1.471 175.773 174.700 -0.662 0.000 1.034 94 T CA -0.156 61.563 62.100 -0.634 0.000 1.060 94 T CB 0.113 68.210 68.868 -1.284 0.000 0.983 94 T HN 0.317 nan 8.240 nan 0.000 0.482 95 L N 2.013 123.074 121.223 -0.269 0.000 1.956 95 L HA -0.098 4.238 4.340 -0.008 0.000 0.216 95 L C 2.464 179.296 176.870 -0.062 0.000 1.073 95 L CA 2.039 56.883 54.840 0.006 0.000 0.762 95 L CB -0.760 41.511 42.059 0.354 0.000 0.889 95 L HN 0.188 nan 8.230 nan 0.000 0.433 96 Q N -0.813 118.954 119.800 -0.056 0.000 2.084 96 Q HA -0.256 4.079 4.340 -0.008 0.000 0.202 96 Q C 2.245 178.173 176.000 -0.120 0.000 0.978 96 Q CA 1.872 57.635 55.803 -0.067 0.000 0.844 96 Q CB -0.321 28.375 28.738 -0.070 0.000 0.898 96 Q HN 0.700 nan 8.270 nan 0.000 0.426 97 N N -0.954 117.635 118.700 -0.186 0.000 2.149 97 N HA -0.151 4.584 4.740 -0.008 0.000 0.188 97 N C 1.352 176.754 175.510 -0.180 0.000 1.019 97 N CA 1.804 54.735 53.050 -0.198 0.000 0.857 97 N CB 0.061 38.397 38.487 -0.253 0.000 0.997 97 N HN 0.223 nan 8.380 nan 0.000 0.426 98 T N 1.262 115.673 114.554 -0.237 0.000 2.777 98 T HA -0.043 4.302 4.350 -0.008 0.000 0.266 98 T C 2.067 176.704 174.700 -0.105 0.000 1.040 98 T CA 1.030 63.008 62.100 -0.204 0.000 1.141 98 T CB -0.055 68.644 68.868 -0.282 0.000 0.868 98 T HN 0.272 nan 8.240 nan 0.000 0.444 99 M N 0.606 120.162 119.600 -0.073 0.000 2.117 99 M HA -0.080 4.395 4.480 -0.008 0.000 0.262 99 M C 2.481 178.748 176.300 -0.054 0.000 1.065 99 M CA 1.210 56.482 55.300 -0.046 0.000 1.114 99 M CB -0.695 31.894 32.600 -0.018 0.000 1.361 99 M HN 0.099 nan 8.290 nan 0.000 0.408 100 V N 1.123 121.010 119.914 -0.046 0.000 2.255 100 V HA -0.282 3.834 4.120 -0.008 0.000 0.247 100 V C 1.765 177.867 176.094 0.014 0.000 1.051 100 V CA 2.050 64.348 62.300 -0.003 0.000 1.018 100 V CB -0.902 30.922 31.823 0.001 0.000 0.641 100 V HN 0.475 nan 8.190 nan 0.000 0.445 101 N N -0.355 118.340 118.700 -0.007 0.000 2.453 101 N HA -0.053 4.682 4.740 -0.008 0.000 0.183 101 N C 1.029 176.438 175.510 -0.168 0.000 1.041 101 N CA 0.720 53.742 53.050 -0.045 0.000 0.900 101 N CB -0.106 38.366 38.487 -0.025 0.000 0.961 101 N HN 0.294 nan 8.380 nan 0.000 0.443 102 L N -0.421 120.723 121.223 -0.132 0.000 2.693 102 L HA 0.416 4.751 4.340 -0.008 0.000 0.235 102 L C 0.559 177.341 176.870 -0.147 0.000 1.127 102 L CA -0.236 54.523 54.840 -0.134 0.000 0.914 102 L CB -0.618 41.386 42.059 -0.091 0.000 1.193 102 L HN 0.087 nan 8.230 nan 0.000 0.502 103 A N -0.514 122.219 122.820 -0.145 0.000 2.822 103 A HA -0.225 4.090 4.320 -0.008 0.000 0.287 103 A C 1.095 178.619 177.584 -0.101 0.000 1.479 103 A CA 1.018 52.982 52.037 -0.121 0.000 0.779 103 A CB -1.935 16.979 19.000 -0.143 0.000 1.022 103 A HN 0.233 nan 8.150 nan 0.000 0.532 104 L N -0.921 120.244 121.223 -0.097 0.000 2.664 104 L HA 0.256 4.591 4.340 -0.008 0.000 0.233 104 L C 1.823 178.659 176.870 -0.057 0.000 1.113 104 L CA 1.515 56.295 54.840 -0.101 0.000 0.896 104 L CB -0.222 41.751 42.059 -0.142 0.000 1.163 104 L HN 0.604 nan 8.230 nan 0.000 0.497 105 E N -0.162 120.013 120.200 -0.040 0.000 2.070 105 E HA -0.252 4.093 4.350 -0.008 0.000 0.197 105 E C 1.569 178.159 176.600 -0.017 0.000 1.004 105 E CA 1.553 57.941 56.400 -0.021 0.000 0.805 105 E CB 0.239 29.928 29.700 -0.017 0.000 0.744 105 E HN 0.424 nan 8.360 nan 0.000 0.451 106 N N -0.072 118.614 118.700 -0.024 0.000 2.142 106 N HA -0.107 4.628 4.740 -0.008 0.000 0.186 106 N C 1.586 177.083 175.510 -0.021 0.000 1.023 106 N CA 1.182 54.218 53.050 -0.024 0.000 0.852 106 N CB -0.384 38.087 38.487 -0.027 0.000 0.998 106 N HN 0.213 nan 8.380 nan 0.000 0.424 107 A N 0.556 123.361 122.820 -0.026 0.000 1.883 107 A HA -0.165 4.150 4.320 -0.008 0.000 0.217 107 A C 2.666 180.246 177.584 -0.006 0.000 1.186 107 A CA 1.455 53.480 52.037 -0.020 0.000 0.624 107 A CB -1.066 17.912 19.000 -0.036 0.000 0.822 107 A HN 0.443 nan 8.150 nan 0.000 0.444 108 C N -0.838 118.459 119.300 -0.004 0.000 2.435 108 C HA -0.062 4.393 4.460 -0.008 0.000 0.279 108 C C 2.475 177.473 174.990 0.013 0.000 1.321 108 C CA 1.051 60.079 59.018 0.017 0.000 1.752 108 C CB -1.093 26.670 27.740 0.038 0.000 1.959 108 C HN 0.684 nan 8.230 nan 0.000 0.500 109 D N 0.719 121.125 120.400 0.009 0.000 2.097 109 D HA -0.137 4.498 4.640 -0.008 0.000 0.195 109 D C 2.130 178.448 176.300 0.030 0.000 0.989 109 D CA 1.513 55.521 54.000 0.013 0.000 0.827 109 D CB -0.232 40.564 40.800 -0.006 0.000 0.966 109 D HN 0.479 nan 8.370 nan 0.000 0.456 110 E N 0.500 120.711 120.200 0.017 0.000 2.028 110 E HA -0.070 4.275 4.350 -0.008 0.000 0.191 110 E C 1.926 178.570 176.600 0.074 0.000 0.988 110 E CA 1.759 58.188 56.400 0.048 0.000 0.799 110 E CB -0.645 29.064 29.700 0.016 0.000 0.755 110 E HN 0.188 nan 8.360 nan 0.000 0.447 111 A N -0.057 122.772 122.820 0.016 0.000 1.892 111 A HA -0.254 4.061 4.320 -0.008 0.000 0.218 111 A C 2.521 180.036 177.584 -0.115 0.000 1.188 111 A CA 3.198 55.217 52.037 -0.031 0.000 0.631 111 A CB -1.617 17.369 19.000 -0.024 0.000 0.822 111 A HN 0.544 nan 8.150 nan 0.000 0.447 112 T N -3.792 110.686 114.554 -0.128 0.000 2.867 112 T HA -0.203 4.143 4.350 -0.008 0.000 0.268 112 T C 1.808 176.421 174.700 -0.145 0.000 1.057 112 T CA 1.510 63.469 62.100 -0.235 0.000 1.136 112 T CB -0.548 68.224 68.868 -0.160 0.000 0.874 112 T HN 0.486 nan 8.240 nan 0.000 0.466 113 Y N 2.163 122.383 120.300 -0.133 0.000 2.145 113 Y HA -0.093 4.452 4.550 -0.007 0.000 0.286 113 Y C 2.644 178.481 175.900 -0.105 0.000 1.145 113 Y CA 1.549 59.589 58.100 -0.099 0.000 1.148 113 Y CB -0.569 37.852 38.460 -0.065 0.000 0.981 113 Y HN 0.229 nan 8.280 nan 0.000 0.507 114 Q N -0.843 118.872 119.800 -0.142 0.000 2.170 114 Q HA -0.143 4.192 4.340 -0.008 0.000 0.203 114 Q C 1.564 177.419 176.000 -0.242 0.000 0.976 114 Q CA 1.050 56.731 55.803 -0.203 0.000 0.858 114 Q CB -0.120 28.585 28.738 -0.056 0.000 0.907 114 Q HN 0.347 nan 8.270 nan 0.000 0.433 115 L N -0.697 120.370 121.223 -0.261 0.000 2.599 115 L HA 0.108 4.444 4.340 -0.008 0.000 0.230 115 L C 1.100 177.794 176.870 -0.293 0.000 1.141 115 L CA 1.256 55.927 54.840 -0.281 0.000 0.877 115 L CB -0.660 41.139 42.059 -0.433 0.000 1.009 115 L HN 0.333 nan 8.230 nan 0.000 0.447 116 G N -0.071 108.535 108.800 -0.324 0.000 2.198 116 G HA2 -0.260 3.696 3.960 -0.008 0.000 0.257 116 G HA3 -0.260 3.696 3.960 -0.008 0.000 0.257 116 G C 0.075 174.827 174.900 -0.247 0.000 1.042 116 G CA 0.316 45.236 45.100 -0.300 0.000 0.791 116 G HN 0.307 nan 8.290 nan 0.000 0.502 117 L N -0.421 120.656 121.223 -0.244 0.000 2.354 117 L HA 0.585 4.921 4.340 -0.008 0.000 0.269 117 L C -0.588 176.244 176.870 -0.063 0.000 1.005 117 L CA -1.188 53.542 54.840 -0.183 0.000 0.819 117 L CB 1.932 43.820 42.059 -0.286 0.000 1.311 117 L HN 0.082 nan 8.230 nan 0.000 0.423 118 D N 2.171 122.567 120.400 -0.007 0.000 2.396 118 D HA 0.166 4.801 4.640 -0.008 0.000 0.225 118 D C 0.681 177.013 176.300 0.053 0.000 1.121 118 D CA -0.227 53.799 54.000 0.043 0.000 0.853 118 D CB 1.437 42.267 40.800 0.051 0.000 1.043 118 D HN 0.510 nan 8.370 nan 0.000 0.500 119 M N 3.109 122.742 119.600 0.055 0.000 2.149 119 M HA -0.160 4.315 4.480 -0.008 0.000 0.261 119 M C 1.326 177.673 176.300 0.078 0.000 1.064 119 M CA 1.582 56.925 55.300 0.071 0.000 1.102 119 M CB 0.181 32.817 32.600 0.059 0.000 1.369 119 M HN 0.405 nan 8.290 nan 0.000 0.408 120 E N -0.250 119.987 120.200 0.062 0.000 2.153 120 E HA -0.246 4.099 4.350 -0.008 0.000 0.194 120 E C 1.829 178.467 176.600 0.064 0.000 0.988 120 E CA 1.299 57.734 56.400 0.057 0.000 0.811 120 E CB -0.081 29.650 29.700 0.051 0.000 0.746 120 E HN 0.645 nan 8.360 nan 0.000 0.466 121 E N 0.247 120.488 120.200 0.070 0.000 2.107 121 E HA -0.179 4.167 4.350 -0.008 0.000 0.191 121 E C 1.828 178.475 176.600 0.077 0.000 0.982 121 E CA 0.516 56.958 56.400 0.070 0.000 0.809 121 E CB 0.208 29.950 29.700 0.071 0.000 0.756 121 E HN 0.081 nan 8.360 nan 0.000 0.459 122 L N 1.388 122.679 121.223 0.114 0.000 2.093 122 L HA -0.116 4.219 4.340 -0.008 0.000 0.208 122 L C 2.013 178.947 176.870 0.107 0.000 1.085 122 L CA 1.574 56.515 54.840 0.168 0.000 0.755 122 L CB -0.550 41.666 42.059 0.261 0.000 0.904 122 L HN 0.127 nan 8.230 nan 0.000 0.435 123 E N -0.604 119.651 120.200 0.091 0.000 2.153 123 E HA -0.190 4.155 4.350 -0.008 0.000 0.194 123 E C 1.763 178.326 176.600 -0.061 0.000 0.988 123 E CA 0.759 57.182 56.400 0.039 0.000 0.811 123 E CB -0.027 29.703 29.700 0.050 0.000 0.746 123 E HN 0.427 nan 8.360 nan 0.000 0.466 124 E N 0.369 120.550 120.200 -0.030 0.000 2.409 124 E HA -0.099 4.247 4.350 -0.008 0.000 0.198 124 E C 1.846 178.386 176.600 -0.099 0.000 1.024 124 E CA 0.530 56.913 56.400 -0.028 0.000 0.861 124 E CB 0.074 29.793 29.700 0.032 0.000 0.788 124 E HN 0.426 nan 8.360 nan 0.000 0.521 125 I N 0.690 121.134 120.570 -0.210 0.000 2.716 125 I HA -0.080 4.085 4.170 -0.008 0.000 0.259 125 I C 1.336 177.133 176.117 -0.534 0.000 1.172 125 I CA 0.123 61.232 61.300 -0.319 0.000 1.478 125 I CB 0.085 37.903 38.000 -0.304 0.000 1.104 125 I HN -0.018 nan 8.210 nan 0.000 0.439 126 E N 2.403 122.159 120.200 -0.740 0.000 2.414 126 E HA -0.075 4.271 4.350 -0.008 0.000 0.263 126 E C -0.068 176.438 176.600 -0.157 0.000 1.000 126 E CA -0.129 55.904 56.400 -0.613 0.000 0.914 126 E CB 0.643 30.127 29.700 -0.359 0.000 0.948 126 E HN 0.048 nan 8.360 nan 0.000 0.444 127 E N 2.861 123.068 120.200 0.013 0.000 2.331 127 E HA 0.091 4.436 4.350 -0.008 0.000 0.272 127 E C -1.244 175.467 176.600 0.186 0.000 1.036 127 E CA -0.274 56.219 56.400 0.156 0.000 0.864 127 E CB 0.819 30.699 29.700 0.300 0.000 1.035 127 E HN 0.351 nan 8.360 nan 0.000 0.408 128 D N 1.588 122.072 120.400 0.139 0.000 2.382 128 D HA 0.277 4.912 4.640 -0.008 0.000 0.245 128 D C -0.805 175.540 176.300 0.074 0.000 1.120 128 D CA 0.191 54.244 54.000 0.089 0.000 0.890 128 D CB 0.940 41.773 40.800 0.056 0.000 1.201 128 D HN 0.423 nan 8.370 nan 0.000 0.433 129 A N 2.320 125.136 122.820 -0.006 0.000 2.666 129 A HA 0.485 4.801 4.320 -0.008 0.000 0.312 129 A C 0.931 178.361 177.584 -0.257 0.000 1.471 129 A CA -0.493 51.345 52.037 -0.333 0.000 1.134 129 A CB -0.184 18.701 19.000 -0.193 0.000 1.129 129 A HN 0.529 nan 8.150 nan 0.000 0.539 130 G N 2.069 110.667 108.800 -0.336 0.000 3.717 130 G HA2 0.415 4.370 3.960 -0.008 0.000 0.258 130 G HA3 0.415 4.370 3.960 -0.008 0.000 0.258 130 G C 0.302 174.972 174.900 -0.382 0.000 1.088 130 G CA -0.293 44.687 45.100 -0.201 0.000 1.737 130 G HN 0.693 nan 8.290 nan 0.000 0.648 131 L N 1.415 122.469 121.223 -0.281 0.000 2.862 131 L HA 0.364 4.699 4.340 -0.008 0.000 0.240 131 L C 1.061 177.868 176.870 -0.105 0.000 1.283 131 L CA -0.201 54.580 54.840 -0.100 0.000 1.117 131 L CB -0.351 41.769 42.059 0.103 0.000 1.444 131 L HN 0.344 nan 8.230 nan 0.000 0.456 132 G N -1.316 107.191 108.800 -0.487 0.000 2.660 132 G HA2 0.214 4.170 3.960 -0.008 0.000 0.290 132 G HA3 0.214 4.170 3.960 -0.008 0.000 0.290 132 G C -0.141 174.297 174.900 -0.770 0.000 1.432 132 G CA -0.436 44.353 45.100 -0.518 0.000 0.807 132 G HN -0.088 nan 8.290 nan 0.000 0.485 133 N N -0.872 117.612 118.700 -0.360 0.000 2.439 133 N HA 0.219 4.955 4.740 -0.008 0.000 0.176 133 N C 1.127 176.635 175.510 -0.003 0.000 1.029 133 N CA 1.253 54.186 53.050 -0.196 0.000 0.886 133 N CB 1.326 39.805 38.487 -0.014 0.000 1.057 133 N HN 0.813 nan 8.380 nan 0.000 0.437 134 G N -0.679 108.208 108.800 0.145 0.000 2.947 134 G HA2 0.199 4.154 3.960 -0.008 0.000 0.115 134 G HA3 0.199 4.154 3.960 -0.008 0.000 0.115 134 G C 0.742 175.781 174.900 0.231 0.000 1.214 134 G CA 0.244 45.517 45.100 0.289 0.000 1.324 134 G HN 0.153 nan 8.290 nan 0.000 0.645 135 G N 0.457 109.336 108.800 0.131 0.000 2.476 135 G HA2 -0.141 3.814 3.960 -0.008 0.000 0.218 135 G HA3 -0.141 3.814 3.960 -0.008 0.000 0.218 135 G C 1.896 176.803 174.900 0.011 0.000 1.164 135 G CA 1.577 46.713 45.100 0.059 0.000 0.768 135 G HN 0.814 nan 8.290 nan 0.000 0.560 136 L N 0.619 121.828 121.223 -0.022 0.000 2.046 136 L HA 0.078 4.413 4.340 -0.008 0.000 0.208 136 L C 2.846 179.656 176.870 -0.101 0.000 1.077 136 L CA 2.003 56.746 54.840 -0.161 0.000 0.747 136 L CB -0.561 41.358 42.059 -0.234 0.000 0.896 136 L HN 0.249 nan 8.230 nan 0.000 0.432 137 G N -0.780 108.025 108.800 0.008 0.000 2.402 137 G HA2 -0.245 3.710 3.960 -0.008 0.000 0.216 137 G HA3 -0.245 3.710 3.960 -0.008 0.000 0.216 137 G C 1.691 176.674 174.900 0.138 0.000 1.162 137 G CA 0.275 45.407 45.100 0.053 0.000 0.777 137 G HN 0.179 nan 8.290 nan 0.000 0.539 138 R N 0.118 120.729 120.500 0.185 0.000 2.092 138 R HA 0.070 4.405 4.340 -0.008 0.000 0.231 138 R C 2.481 178.793 176.300 0.020 0.000 1.119 138 R CA 0.822 56.995 56.100 0.120 0.000 0.970 138 R CB -1.004 29.322 30.300 0.043 0.000 0.864 138 R HN 0.396 nan 8.270 nan 0.000 0.440 139 L N 0.688 121.854 121.223 -0.096 0.000 2.042 139 L HA -0.098 4.238 4.340 -0.008 0.000 0.210 139 L C 2.201 178.781 176.870 -0.483 0.000 1.076 139 L CA 2.269 56.909 54.840 -0.333 0.000 0.749 139 L CB -0.781 41.041 42.059 -0.395 0.000 0.893 139 L HN 0.190 nan 8.230 nan 0.000 0.432 140 A N -0.678 121.990 122.820 -0.254 0.000 1.933 140 A HA -0.126 4.190 4.320 -0.008 0.000 0.218 140 A C 2.436 180.087 177.584 0.111 0.000 1.175 140 A CA 1.817 53.782 52.037 -0.121 0.000 0.628 140 A CB -1.119 17.776 19.000 -0.175 0.000 0.814 140 A HN 0.579 nan 8.150 nan 0.000 0.444 141 A N -1.042 121.874 122.820 0.161 0.000 1.898 141 A HA -0.151 4.164 4.320 -0.008 0.000 0.216 141 A C 2.310 179.977 177.584 0.139 0.000 1.181 141 A CA 1.635 53.794 52.037 0.203 0.000 0.620 141 A CB -1.248 17.856 19.000 0.174 0.000 0.819 141 A HN 0.593 nan 8.150 nan 0.000 0.442 142 C N -1.484 117.895 119.300 0.132 0.000 2.429 142 C HA -0.054 4.402 4.460 -0.008 0.000 0.277 142 C C 2.425 177.579 174.990 0.274 0.000 1.262 142 C CA 0.581 59.715 59.018 0.194 0.000 1.733 142 C CB -1.615 26.262 27.740 0.229 0.000 2.010 142 C HN 0.603 nan 8.230 nan 0.000 0.483 143 F N 0.667 120.601 119.950 -0.027 0.000 2.126 143 F HA -0.094 4.428 4.527 -0.008 0.000 0.299 143 F C 2.124 177.864 175.800 -0.101 0.000 1.096 143 F CA 1.116 59.044 58.000 -0.119 0.000 1.255 143 F CB -1.422 37.364 39.000 -0.358 0.000 0.997 143 F HN 0.095 nan 8.300 nan 0.000 0.479 144 L N 0.304 121.605 121.223 0.131 0.000 2.012 144 L HA -0.244 4.091 4.340 -0.008 0.000 0.210 144 L C 2.181 179.064 176.870 0.022 0.000 1.073 144 L CA 2.032 56.902 54.840 0.050 0.000 0.748 144 L CB -1.366 40.723 42.059 0.050 0.000 0.891 144 L HN 0.125 nan 8.230 nan 0.000 0.431 145 D N -1.537 118.886 120.400 0.039 0.000 2.104 145 D HA -0.177 4.458 4.640 -0.008 0.000 0.194 145 D C 2.170 178.487 176.300 0.027 0.000 0.994 145 D CA 1.504 55.513 54.000 0.014 0.000 0.830 145 D CB 0.164 40.972 40.800 0.014 0.000 0.959 145 D HN 0.199 nan 8.370 nan 0.000 0.452 146 S N -0.787 114.945 115.700 0.053 0.000 2.383 146 S HA -0.088 4.378 4.470 -0.008 0.000 0.227 146 S C 1.980 176.591 174.600 0.018 0.000 1.026 146 S CA 0.845 59.067 58.200 0.036 0.000 0.981 146 S CB -0.205 63.019 63.200 0.039 0.000 0.818 146 S HN 0.349 nan 8.310 nan 0.000 0.472 147 M N 0.950 120.555 119.600 0.007 0.000 2.213 147 M HA -0.078 4.397 4.480 -0.008 0.000 0.263 147 M C 2.410 178.711 176.300 0.003 0.000 1.062 147 M CA 1.337 56.638 55.300 0.003 0.000 1.105 147 M CB -0.496 32.088 32.600 -0.028 0.000 1.385 147 M HN 0.387 nan 8.290 nan 0.000 0.417 148 A N -0.211 122.608 122.820 -0.002 0.000 1.897 148 A HA -0.096 4.220 4.320 -0.008 0.000 0.215 148 A C 2.173 179.772 177.584 0.025 0.000 1.181 148 A CA 1.850 53.890 52.037 0.004 0.000 0.620 148 A CB -0.995 17.991 19.000 -0.023 0.000 0.821 148 A HN 0.395 nan 8.150 nan 0.000 0.443 149 T N 0.376 114.950 114.554 0.033 0.000 2.881 149 T HA 0.004 4.350 4.350 -0.008 0.000 0.270 149 T C 1.301 176.031 174.700 0.050 0.000 1.068 149 T CA 1.070 63.203 62.100 0.056 0.000 1.131 149 T CB -0.266 68.642 68.868 0.067 0.000 0.871 149 T HN 0.336 nan 8.240 nan 0.000 0.479 150 L N 0.433 121.681 121.223 0.042 0.000 2.653 150 L HA 0.305 4.641 4.340 -0.008 0.000 0.231 150 L C 1.606 178.508 176.870 0.053 0.000 1.153 150 L CA -0.095 54.772 54.840 0.044 0.000 0.933 150 L CB -0.421 41.662 42.059 0.041 0.000 1.175 150 L HN 0.381 nan 8.230 nan 0.000 0.473 151 G N 1.276 110.112 108.800 0.060 0.000 2.249 151 G HA2 -0.286 3.670 3.960 -0.008 0.000 0.273 151 G HA3 -0.286 3.670 3.960 -0.008 0.000 0.273 151 G C 0.081 175.033 174.900 0.088 0.000 1.036 151 G CA 0.082 45.236 45.100 0.091 0.000 0.824 151 G HN 0.289 nan 8.290 nan 0.000 0.504 152 L N -0.200 121.042 121.223 0.032 0.000 2.334 152 L HA 0.620 4.955 4.340 -0.008 0.000 0.277 152 L C 1.177 177.930 176.870 -0.196 0.000 1.075 152 L CA -0.425 54.385 54.840 -0.050 0.000 0.804 152 L CB 1.653 43.695 42.059 -0.028 0.000 1.174 152 L HN 0.260 nan 8.230 nan 0.000 0.438 153 A N 3.072 125.627 122.820 -0.443 0.000 2.981 153 A HA 0.559 4.874 4.320 -0.008 0.000 0.280 153 A C 0.303 177.507 177.584 -0.632 0.000 1.743 153 A CA -0.161 51.302 52.037 -0.957 0.000 1.430 153 A CB -0.631 17.673 19.000 -1.160 0.000 1.085 153 A HN 0.704 nan 8.150 nan 0.000 0.597 154 A N 1.570 124.075 122.820 -0.526 0.000 2.340 154 A HA 0.806 5.121 4.320 -0.008 0.000 0.331 154 A C -1.031 176.252 177.584 -0.502 0.000 1.140 154 A CA -0.462 51.327 52.037 -0.414 0.000 0.801 154 A CB 0.767 19.617 19.000 -0.250 0.000 1.234 154 A HN 0.631 nan 8.150 nan 0.000 0.469 155 Y N 0.137 120.371 120.300 -0.110 0.000 2.373 155 Y HA 0.532 5.078 4.550 -0.007 0.000 0.336 155 Y C 0.798 176.784 175.900 0.143 0.000 0.979 155 Y CA -0.487 57.621 58.100 0.015 0.000 1.080 155 Y CB 2.411 40.978 38.460 0.178 0.000 1.190 155 Y HN 0.840 nan 8.280 nan 0.000 0.446 156 G N 2.262 111.137 108.800 0.126 0.000 2.325 156 G HA2 0.456 4.412 3.960 -0.008 0.000 0.298 156 G HA3 0.456 4.412 3.960 -0.008 0.000 0.298 156 G C -1.764 173.162 174.900 0.043 0.000 1.134 156 G CA -0.271 44.941 45.100 0.187 0.000 0.876 156 G HN 0.518 nan 8.290 nan 0.000 0.452 157 Y N 1.152 121.703 120.300 0.417 0.000 2.350 157 Y HA 0.626 5.172 4.550 -0.008 0.000 0.338 157 Y C 0.755 176.979 175.900 0.542 0.000 0.961 157 Y CA 0.206 58.520 58.100 0.357 0.000 1.100 157 Y CB 2.622 41.308 38.460 0.376 0.000 1.179 157 Y HN 0.869 nan 8.280 nan 0.000 0.454 158 G N 2.412 111.559 108.800 0.578 0.000 2.772 158 G HA2 0.588 4.544 3.960 -0.008 0.000 0.284 158 G HA3 0.588 4.544 3.960 -0.008 0.000 0.284 158 G C -1.696 173.452 174.900 0.413 0.000 1.217 158 G CA -0.819 44.633 45.100 0.587 0.000 0.831 158 G HN 0.416 nan 8.290 nan 0.000 0.523 159 I N 0.507 121.211 120.570 0.223 0.000 2.441 159 I HA 0.448 4.613 4.170 -0.008 0.000 0.295 159 I C 0.177 176.195 176.117 -0.165 0.000 0.994 159 I CA -0.746 60.570 61.300 0.026 0.000 1.144 159 I CB 2.262 40.093 38.000 -0.281 0.000 1.314 159 I HN 0.369 nan 8.210 nan 0.000 0.445 160 R N 5.886 126.393 120.500 0.011 0.000 2.408 160 R HA 0.263 4.598 4.340 -0.008 0.000 0.308 160 R C -1.366 174.987 176.300 0.088 0.000 1.210 160 R CA -0.412 55.729 56.100 0.069 0.000 1.115 160 R CB 0.044 30.361 30.300 0.029 0.000 1.127 160 R HN 0.395 nan 8.270 nan 0.000 0.523 161 Y N 1.812 122.278 120.300 0.276 0.000 2.359 161 Y HA 0.004 4.549 4.550 -0.008 0.000 0.330 161 Y C 1.395 177.483 175.900 0.314 0.000 1.143 161 Y CA -0.126 58.126 58.100 0.253 0.000 1.318 161 Y CB 0.964 39.548 38.460 0.207 0.000 1.234 161 Y HN 0.574 nan 8.280 nan 0.000 0.522 162 E N 1.862 122.257 120.200 0.326 0.000 2.150 162 E HA -0.081 4.264 4.350 -0.008 0.000 0.193 162 E C -0.720 175.774 176.600 -0.177 0.000 0.985 162 E CA 0.918 57.311 56.400 -0.011 0.000 0.814 162 E CB 0.115 29.712 29.700 -0.172 0.000 0.752 162 E HN 0.404 nan 8.360 nan 0.000 0.466 163 F N -0.168 120.003 119.950 0.368 0.000 2.477 163 F HA 0.392 4.914 4.527 -0.008 0.000 0.335 163 F C 0.809 176.695 175.800 0.144 0.000 1.130 163 F CA -0.932 57.239 58.000 0.285 0.000 0.948 163 F CB 1.768 40.865 39.000 0.161 0.000 1.154 163 F HN -0.174 nan 8.300 nan 0.000 0.439 164 G N 1.857 110.752 108.800 0.160 0.000 2.582 164 G HA2 0.344 4.300 3.960 -0.008 0.000 0.232 164 G HA3 0.344 4.300 3.960 -0.008 0.000 0.232 164 G C -0.505 174.346 174.900 -0.082 0.000 1.458 164 G CA -0.671 44.370 45.100 -0.097 0.000 1.062 164 G HN 0.541 nan 8.290 nan 0.000 0.566 165 I N 0.959 121.401 120.570 -0.214 0.000 2.752 165 I HA 0.216 4.382 4.170 -0.008 0.000 0.289 165 I C 0.499 176.513 176.117 -0.172 0.000 1.197 165 I CA -1.220 59.925 61.300 -0.257 0.000 1.432 165 I CB -0.305 37.443 38.000 -0.421 0.000 1.359 165 I HN 0.327 nan 8.210 nan 0.000 0.571 166 F N 6.408 126.368 119.950 0.016 0.000 2.589 166 F HA 0.271 4.793 4.527 -0.007 0.000 0.352 166 F C 0.453 176.304 175.800 0.085 0.000 1.168 166 F CA -0.556 57.479 58.000 0.058 0.000 1.353 166 F CB -0.305 38.716 39.000 0.035 0.000 1.116 166 F HN 0.431 nan 8.300 nan 0.000 0.608 167 N N 2.485 121.371 118.700 0.310 0.000 2.458 167 N HA 0.053 4.788 4.740 -0.008 0.000 0.270 167 N C -0.804 174.949 175.510 0.404 0.000 1.102 167 N CA -0.283 52.917 53.050 0.250 0.000 0.967 167 N CB 1.201 39.824 38.487 0.226 0.000 1.078 167 N HN 0.759 nan 8.380 nan 0.000 0.471 168 Q N 2.450 122.457 119.800 0.345 0.000 2.274 168 Q HA 0.170 4.506 4.340 -0.008 0.000 0.256 168 Q C -0.924 175.250 176.000 0.291 0.000 0.927 168 Q CA -0.273 55.772 55.803 0.403 0.000 0.939 168 Q CB 0.716 29.694 28.738 0.401 0.000 1.201 168 Q HN 0.232 nan 8.270 nan 0.000 0.426 169 K N 4.187 124.734 120.400 0.245 0.000 2.259 169 K HA 0.475 4.791 4.320 -0.008 0.000 0.252 169 K C -0.789 175.913 176.600 0.168 0.000 0.936 169 K CA -0.890 55.517 56.287 0.199 0.000 0.810 169 K CB 1.608 34.204 32.500 0.161 0.000 1.143 169 K HN 0.630 nan 8.250 nan 0.000 0.427 170 I N 2.614 123.276 120.570 0.154 0.000 2.328 170 I HA 0.222 4.387 4.170 -0.008 0.000 0.287 170 I C -0.296 175.882 176.117 0.101 0.000 1.012 170 I CA -0.641 60.718 61.300 0.100 0.000 1.195 170 I CB 0.737 38.776 38.000 0.066 0.000 1.350 170 I HN 0.405 nan 8.210 nan 0.000 0.464 171 C N 3.879 123.250 119.300 0.118 0.000 2.340 171 C HA 0.598 5.054 4.460 -0.008 0.000 0.323 171 C C 1.218 176.317 174.990 0.181 0.000 1.260 171 C CA -0.372 58.722 59.018 0.127 0.000 1.464 171 C CB 0.624 28.432 27.740 0.113 0.000 2.156 171 C HN 1.084 nan 8.230 nan 0.000 0.476 172 G N 2.414 111.296 108.800 0.137 0.000 2.258 172 G HA2 0.089 4.044 3.960 -0.008 0.000 0.274 172 G HA3 0.089 4.044 3.960 -0.008 0.000 0.274 172 G C 1.104 176.043 174.900 0.065 0.000 1.021 172 G CA 1.046 46.242 45.100 0.160 0.000 0.798 172 G HN 2.403 nan 8.290 nan 0.000 0.507 173 G N -3.021 105.756 108.800 -0.039 0.000 2.179 173 G HA2 -0.287 3.669 3.960 -0.008 0.000 0.260 173 G HA3 -0.287 3.669 3.960 -0.008 0.000 0.260 173 G C 0.341 175.008 174.900 -0.389 0.000 0.977 173 G CA 0.646 45.597 45.100 -0.247 0.000 0.641 173 G HN 1.172 nan 8.290 nan 0.000 0.533 174 W N 0.764 122.012 121.300 -0.088 0.000 2.512 174 W HA 0.667 5.323 4.660 -0.007 0.000 0.335 174 W C 0.615 177.078 176.519 -0.092 0.000 1.088 174 W CA -0.862 56.423 57.345 -0.100 0.000 1.236 174 W CB 0.832 30.250 29.460 -0.069 0.000 1.307 174 W HN 0.243 nan 8.180 nan 0.000 0.567 175 Q N 2.969 122.860 119.800 0.151 0.000 2.304 175 Q HA 0.285 4.620 4.340 -0.008 0.000 0.260 175 Q C -0.677 175.375 176.000 0.088 0.000 0.965 175 Q CA 0.062 55.922 55.803 0.094 0.000 0.898 175 Q CB 0.586 29.369 28.738 0.075 0.000 1.196 175 Q HN 0.310 nan 8.270 nan 0.000 0.402 176 M N 3.157 122.805 119.600 0.080 0.000 2.393 176 M HA 0.392 4.867 4.480 -0.008 0.000 0.316 176 M C -1.140 175.168 176.300 0.012 0.000 1.087 176 M CA -0.678 54.638 55.300 0.028 0.000 0.937 176 M CB 1.775 34.408 32.600 0.055 0.000 1.668 176 M HN 0.617 nan 8.290 nan 0.000 0.438 177 E N 1.792 121.926 120.200 -0.110 0.000 2.214 177 E HA 0.557 4.902 4.350 -0.008 0.000 0.274 177 E C -0.695 175.897 176.600 -0.013 0.000 0.977 177 E CA -0.603 55.699 56.400 -0.164 0.000 0.827 177 E CB 1.709 31.035 29.700 -0.623 0.000 1.130 177 E HN 0.537 nan 8.360 nan 0.000 0.394 178 E N 0.617 120.891 120.200 0.123 0.000 2.343 178 E HA 0.653 4.998 4.350 -0.008 0.000 0.278 178 E C -1.195 175.507 176.600 0.170 0.000 0.910 178 E CA -1.408 55.057 56.400 0.109 0.000 0.757 178 E CB 1.335 31.105 29.700 0.117 0.000 1.218 178 E HN 0.497 nan 8.360 nan 0.000 0.435 179 A N 2.580 125.461 122.820 0.102 0.000 2.584 179 A HA -0.011 4.304 4.320 -0.008 0.000 0.239 179 A C 0.073 177.855 177.584 0.330 0.000 1.043 179 A CA 0.668 52.792 52.037 0.145 0.000 0.756 179 A CB -0.087 18.882 19.000 -0.051 0.000 0.963 179 A HN 0.671 nan 8.150 nan 0.000 0.511 180 D N 1.843 122.508 120.400 0.441 0.000 2.522 180 D HA 0.189 4.824 4.640 -0.008 0.000 0.218 180 D C -0.357 176.253 176.300 0.516 0.000 1.149 180 D CA -0.246 53.995 54.000 0.401 0.000 0.981 180 D CB 0.219 41.184 40.800 0.276 0.000 1.041 180 D HN 0.409 nan 8.370 nan 0.000 0.518 181 D N 3.348 124.015 120.400 0.447 0.000 2.688 181 D HA -0.040 4.595 4.640 -0.008 0.000 0.228 181 D C 1.267 177.678 176.300 0.184 0.000 1.116 181 D CA -0.526 53.616 54.000 0.237 0.000 1.023 181 D CB -0.209 40.751 40.800 0.267 0.000 1.100 181 D HN 0.516 nan 8.370 nan 0.000 0.487 182 W N 1.888 123.198 121.300 0.018 0.000 2.525 182 W HA -0.048 4.607 4.660 -0.008 0.000 0.259 182 W C 0.125 176.684 176.519 0.067 0.000 1.253 182 W CA 0.119 57.506 57.345 0.070 0.000 1.262 182 W CB -0.780 28.729 29.460 0.081 0.000 1.122 182 W HN 0.205 nan 8.180 nan 0.000 0.607 183 L N 0.827 121.682 121.223 -0.614 0.000 2.607 183 L HA 0.160 4.495 4.340 -0.008 0.000 0.228 183 L C 2.753 179.448 176.870 -0.292 0.000 1.123 183 L CA -0.011 54.445 54.840 -0.639 0.000 0.890 183 L CB -0.641 40.928 42.059 -0.817 0.000 1.103 183 L HN -0.105 nan 8.230 nan 0.000 0.468 184 R N 0.902 121.282 120.500 -0.201 0.000 2.168 184 R HA -0.263 4.072 4.340 -0.008 0.000 0.242 184 R C 1.512 177.627 176.300 -0.308 0.000 1.123 184 R CA 2.350 58.296 56.100 -0.256 0.000 0.928 184 R CB -0.368 29.759 30.300 -0.287 0.000 0.873 184 R HN 0.273 nan 8.270 nan 0.000 0.434 185 Y N -0.183 120.129 120.300 0.021 0.000 2.471 185 Y HA 0.289 4.834 4.550 -0.008 0.000 0.286 185 Y C 0.849 176.732 175.900 -0.027 0.000 1.188 185 Y CA 0.579 58.697 58.100 0.030 0.000 1.286 185 Y CB 0.486 39.075 38.460 0.214 0.000 1.072 185 Y HN 0.532 nan 8.280 nan 0.000 0.517 186 G N 1.241 110.072 108.800 0.052 0.000 2.692 186 G HA2 -0.230 3.726 3.960 -0.008 0.000 0.686 186 G HA3 -0.230 3.726 3.960 -0.008 0.000 0.686 186 G C -1.185 173.791 174.900 0.126 0.000 1.243 186 G CA -0.825 44.277 45.100 0.004 0.000 0.782 186 G HN 0.271 nan 8.290 nan 0.000 0.625 187 N N 1.564 120.278 118.700 0.023 0.000 2.518 187 N HA 0.571 5.307 4.740 -0.008 0.000 0.254 187 N C -0.506 175.004 175.510 0.000 0.000 0.979 187 N CA -1.980 51.105 53.050 0.058 0.000 0.930 187 N CB 1.978 40.434 38.487 -0.052 0.000 1.152 187 N HN 0.265 nan 8.380 nan 0.000 0.505 188 P HA 0.001 nan 4.420 nan 0.000 0.229 188 P C 0.564 177.528 177.300 -0.560 0.000 1.160 188 P CA 0.728 63.516 63.100 -0.520 0.000 0.777 188 P CB 0.108 31.233 31.700 -0.958 0.000 0.814 189 W N 1.947 123.254 121.300 0.011 0.000 2.658 189 W HA 0.058 4.714 4.660 -0.007 0.000 0.263 189 W C 1.277 177.832 176.519 0.061 0.000 1.274 189 W CA -0.358 56.990 57.345 0.005 0.000 1.343 189 W CB -0.195 29.272 29.460 0.012 0.000 1.106 189 W HN 0.023 nan 8.180 nan 0.000 0.615 190 E N 1.665 122.033 120.200 0.281 0.000 2.283 190 E HA 0.347 4.692 4.350 -0.008 0.000 0.271 190 E C -0.658 176.110 176.600 0.280 0.000 1.031 190 E CA -0.801 55.780 56.400 0.301 0.000 0.868 190 E CB 1.431 31.322 29.700 0.318 0.000 1.094 190 E HN -0.331 nan 8.360 nan 0.000 0.401 191 K N 1.785 122.368 120.400 0.305 0.000 2.535 191 K HA 0.415 4.730 4.320 -0.008 0.000 0.253 191 K C -1.187 175.433 176.600 0.033 0.000 0.953 191 K CA -0.512 55.883 56.287 0.181 0.000 0.863 191 K CB 1.488 34.103 32.500 0.191 0.000 1.111 191 K HN 0.664 nan 8.250 nan 0.000 0.431 192 A N 4.095 126.843 122.820 -0.120 0.000 2.477 192 A HA 0.362 4.678 4.320 -0.008 0.000 0.246 192 A C -0.204 177.181 177.584 -0.333 0.000 1.078 192 A CA -0.130 51.581 52.037 -0.543 0.000 0.770 192 A CB 0.234 18.898 19.000 -0.559 0.000 1.011 192 A HN 0.664 nan 8.150 nan 0.000 0.494 193 R N 3.000 123.293 120.500 -0.346 0.000 2.886 193 R HA 0.194 4.529 4.340 -0.008 0.000 0.306 193 R C -2.259 173.887 176.300 -0.257 0.000 1.300 193 R CA -1.738 54.223 56.100 -0.231 0.000 1.441 193 R CB 0.493 30.816 30.300 0.038 0.000 1.328 193 R HN 0.603 nan 8.270 nan 0.000 0.629 194 P HA -0.221 nan 4.420 nan 0.000 0.219 194 P C 0.853 178.044 177.300 -0.181 0.000 1.144 194 P CA 1.276 64.277 63.100 -0.166 0.000 0.806 194 P CB 0.352 31.967 31.700 -0.142 0.000 0.771 195 E N 0.093 120.068 120.200 -0.375 0.000 2.338 195 E HA -0.139 4.207 4.350 -0.008 0.000 0.197 195 E C 0.894 177.264 176.600 -0.383 0.000 1.007 195 E CA 0.740 56.866 56.400 -0.456 0.000 0.849 195 E CB -1.000 28.276 29.700 -0.707 0.000 0.774 195 E HN 0.398 nan 8.360 nan 0.000 0.506 196 F N 1.791 121.753 119.950 0.020 0.000 2.750 196 F HA 0.239 4.761 4.527 -0.008 0.000 0.297 196 F C 0.412 176.305 175.800 0.155 0.000 1.138 196 F CA -0.723 57.321 58.000 0.073 0.000 1.346 196 F CB 0.636 39.673 39.000 0.062 0.000 0.965 196 F HN -0.286 nan 8.300 nan 0.000 0.514 197 T N 2.898 117.586 114.554 0.225 0.000 2.916 197 T HA 0.257 4.603 4.350 -0.008 0.000 0.303 197 T C -0.229 174.570 174.700 0.164 0.000 1.025 197 T CA 0.262 62.492 62.100 0.216 0.000 1.142 197 T CB 0.849 69.791 68.868 0.123 0.000 0.947 197 T HN -0.107 nan 8.240 nan 0.000 0.544 198 L N 5.760 127.049 121.223 0.109 0.000 2.370 198 L HA 0.581 4.916 4.340 -0.008 0.000 0.266 198 L C -2.198 174.615 176.870 -0.096 0.000 1.002 198 L CA -2.596 52.228 54.840 -0.026 0.000 0.818 198 L CB 1.917 43.886 42.059 -0.149 0.000 1.325 198 L HN 0.389 nan 8.230 nan 0.000 0.418 199 P HA 0.365 nan 4.420 nan 0.000 0.288 199 P C -1.220 175.923 177.300 -0.261 0.000 1.267 199 P CA -0.401 62.597 63.100 -0.170 0.000 0.815 199 P CB 1.981 33.583 31.700 -0.163 0.000 0.989 200 V N 4.154 123.900 119.914 -0.279 0.000 2.604 200 V HA 0.326 4.441 4.120 -0.008 0.000 0.305 200 V C 0.232 176.098 176.094 -0.381 0.000 1.043 200 V CA -0.620 61.507 62.300 -0.288 0.000 0.888 200 V CB 1.486 33.204 31.823 -0.175 0.000 0.995 200 V HN 0.610 nan 8.190 nan 0.000 0.429 201 H N 3.783 122.702 119.070 -0.252 0.000 2.479 201 H HA 0.630 5.181 4.556 -0.008 0.000 0.335 201 H C -1.275 173.777 175.328 -0.460 0.000 1.142 201 H CA -0.144 55.676 56.048 -0.379 0.000 1.234 201 H CB 1.914 31.188 29.762 -0.813 0.000 1.503 201 H HN 0.474 nan 8.280 nan 0.000 0.510 202 F N 0.055 120.055 119.950 0.084 0.000 2.613 202 F HA 0.206 4.729 4.527 -0.008 0.000 0.314 202 F C -0.260 175.643 175.800 0.171 0.000 1.075 202 F CA -0.566 57.480 58.000 0.078 0.000 0.945 202 F CB 1.026 39.972 39.000 -0.090 0.000 1.310 202 F HN 0.541 nan 8.300 nan 0.000 0.467 203 Y N 0.201 120.803 120.300 0.503 0.000 2.896 203 Y HA 0.000 4.546 4.550 -0.008 0.000 0.466 203 Y C 1.330 177.496 175.900 0.443 0.000 1.196 203 Y CA 0.691 59.011 58.100 0.365 0.000 2.514 203 Y CB -1.898 36.708 38.460 0.244 0.000 1.231 203 Y HN 1.320 nan 8.280 nan 0.000 0.632 204 G N 0.597 109.686 108.800 0.481 0.000 2.642 204 G HA2 0.122 4.077 3.960 -0.008 0.000 0.231 204 G HA3 0.122 4.077 3.960 -0.008 0.000 0.231 204 G C -0.579 174.544 174.900 0.372 0.000 1.338 204 G CA 0.776 46.083 45.100 0.344 0.000 0.883 204 G HN 1.343 nan 8.290 nan 0.000 0.570 205 R N -2.556 118.154 120.500 0.349 0.000 2.752 205 R HA 0.728 5.064 4.340 -0.008 0.000 0.271 205 R C -1.409 175.025 176.300 0.224 0.000 1.026 205 R CA -0.974 55.267 56.100 0.236 0.000 0.901 205 R CB 1.373 31.759 30.300 0.143 0.000 1.243 205 R HN 0.896 nan 8.270 nan 0.000 0.463 206 V N 0.885 120.841 119.914 0.070 0.000 2.398 206 V HA 0.348 4.464 4.120 -0.008 0.000 0.286 206 V C -0.235 175.775 176.094 -0.140 0.000 1.026 206 V CA -0.564 61.701 62.300 -0.059 0.000 0.868 206 V CB 1.323 33.037 31.823 -0.181 0.000 0.982 206 V HN 0.685 nan 8.190 nan 0.000 0.443 207 E N 3.013 123.119 120.200 -0.155 0.000 2.166 207 E HA 0.397 4.742 4.350 -0.008 0.000 0.275 207 E C -0.990 175.469 176.600 -0.235 0.000 0.941 207 E CA -0.701 55.625 56.400 -0.123 0.000 0.784 207 E CB 0.900 30.583 29.700 -0.028 0.000 1.115 207 E HN 0.663 nan 8.360 nan 0.000 0.399 208 H N 2.884 121.970 119.070 0.026 0.000 2.690 208 H HA 0.156 4.707 4.556 -0.008 0.000 0.280 208 H C 0.155 175.493 175.328 0.015 0.000 1.138 208 H CA -0.246 55.812 56.048 0.017 0.000 1.241 208 H CB 0.606 30.373 29.762 0.009 0.000 1.394 208 H HN 0.548 nan 8.280 nan 0.000 0.489 209 T N -1.164 113.449 114.554 0.099 0.000 2.880 209 T HA 0.123 4.468 4.350 -0.008 0.000 0.279 209 T C 1.752 176.491 174.700 0.065 0.000 0.990 209 T CA -0.295 61.845 62.100 0.067 0.000 0.938 209 T CB 1.631 70.523 68.868 0.040 0.000 1.206 209 T HN 0.374 nan 8.240 nan 0.000 0.573 210 S N -0.169 115.558 115.700 0.044 0.000 2.378 210 S HA -0.173 4.293 4.470 -0.008 0.000 0.221 210 S C 1.225 175.848 174.600 0.038 0.000 1.037 210 S CA 1.388 59.610 58.200 0.036 0.000 1.069 210 S CB -0.771 62.445 63.200 0.026 0.000 1.006 210 S HN 0.716 nan 8.310 nan 0.000 0.423 211 Q N 1.188 121.009 119.800 0.035 0.000 3.006 211 Q HA 0.551 4.886 4.340 -0.008 0.000 0.260 211 Q C 0.053 176.077 176.000 0.039 0.000 1.356 211 Q CA 0.587 56.410 55.803 0.034 0.000 1.070 211 Q CB 0.188 28.942 28.738 0.027 0.000 1.507 211 Q HN 0.714 nan 8.270 nan 0.000 0.568 212 G N 0.177 109.009 108.800 0.054 0.000 2.619 212 G HA2 0.163 4.118 3.960 -0.008 0.000 0.686 212 G HA3 0.163 4.118 3.960 -0.008 0.000 0.686 212 G C -1.028 173.913 174.900 0.068 0.000 1.256 212 G CA -0.704 44.433 45.100 0.061 0.000 0.826 212 G HN 0.598 nan 8.290 nan 0.000 0.619 213 A N 0.559 123.415 122.820 0.060 0.000 2.310 213 A HA 0.838 5.153 4.320 -0.008 0.000 0.299 213 A C 0.340 177.895 177.584 -0.048 0.000 1.147 213 A CA -0.158 51.861 52.037 -0.030 0.000 0.818 213 A CB 0.910 19.875 19.000 -0.060 0.000 1.096 213 A HN 0.780 nan 8.150 nan 0.000 0.495 214 K N 0.840 121.196 120.400 -0.073 0.000 2.371 214 K HA 0.281 4.597 4.320 -0.008 0.000 0.251 214 K C -1.706 174.931 176.600 0.062 0.000 0.934 214 K CA -0.414 55.870 56.287 -0.005 0.000 0.798 214 K CB 2.263 34.761 32.500 -0.003 0.000 1.204 214 K HN 0.705 nan 8.250 nan 0.000 0.427 215 W N 5.040 126.260 121.300 -0.134 0.000 2.283 215 W HA 0.357 5.012 4.660 -0.008 0.000 0.317 215 W C -0.769 175.686 176.519 -0.106 0.000 1.042 215 W CA -0.858 56.413 57.345 -0.123 0.000 1.348 215 W CB 0.172 29.547 29.460 -0.142 0.000 1.216 215 W HN 0.359 nan 8.180 nan 0.000 0.404 216 V N 2.561 122.535 119.914 0.100 0.000 3.158 216 V HA 0.606 4.722 4.120 -0.008 0.000 0.315 216 V C -0.036 176.043 176.094 -0.026 0.000 1.148 216 V CA -0.914 61.365 62.300 -0.036 0.000 1.042 216 V CB 1.798 33.626 31.823 0.008 0.000 1.101 216 V HN 0.446 nan 8.190 nan 0.000 0.448 217 D N 0.343 120.729 120.400 -0.023 0.000 2.708 217 D HA -0.143 4.492 4.640 -0.008 0.000 0.236 217 D C 0.554 176.872 176.300 0.030 0.000 1.146 217 D CA 1.487 55.498 54.000 0.019 0.000 0.662 217 D CB -1.608 39.223 40.800 0.052 0.000 1.059 217 D HN 1.279 nan 8.370 nan 0.000 0.428 218 T N -3.230 111.296 114.554 -0.047 0.000 2.902 218 T HA 0.403 4.749 4.350 -0.008 0.000 0.280 218 T C 0.251 175.027 174.700 0.126 0.000 0.992 218 T CA -0.832 61.260 62.100 -0.014 0.000 1.015 218 T CB 2.620 71.294 68.868 -0.322 0.000 1.044 218 T HN 0.154 nan 8.240 nan 0.000 0.520 219 Q N 0.892 120.839 119.800 0.245 0.000 2.257 219 Q HA 0.517 4.853 4.340 -0.008 0.000 0.255 219 Q C -1.407 174.736 176.000 0.238 0.000 0.920 219 Q CA -0.788 55.189 55.803 0.291 0.000 0.927 219 Q CB 1.193 30.199 28.738 0.446 0.000 1.229 219 Q HN 0.629 nan 8.270 nan 0.000 0.433 220 V N 4.400 124.406 119.914 0.154 0.000 2.435 220 V HA 0.430 4.546 4.120 -0.008 0.000 0.290 220 V C -0.405 175.732 176.094 0.071 0.000 1.030 220 V CA -0.614 61.687 62.300 0.000 0.000 0.881 220 V CB 1.700 33.464 31.823 -0.098 0.000 0.983 220 V HN 0.588 nan 8.190 nan 0.000 0.445 221 V N 6.011 125.981 119.914 0.094 0.000 2.540 221 V HA 0.474 4.589 4.120 -0.008 0.000 0.302 221 V C -0.164 176.001 176.094 0.118 0.000 1.035 221 V CA -0.610 61.759 62.300 0.116 0.000 0.873 221 V CB 1.937 33.920 31.823 0.267 0.000 0.992 221 V HN 0.638 nan 8.190 nan 0.000 0.428 222 L N 3.639 124.919 121.223 0.095 0.000 2.350 222 L HA 0.723 5.058 4.340 -0.008 0.000 0.275 222 L C 0.483 177.513 176.870 0.267 0.000 1.099 222 L CA -0.319 54.589 54.840 0.115 0.000 0.808 222 L CB 1.280 43.388 42.059 0.081 0.000 1.149 222 L HN 0.749 nan 8.230 nan 0.000 0.442 223 A N 5.010 127.937 122.820 0.178 0.000 2.267 223 A HA 0.563 4.879 4.320 -0.008 0.000 0.315 223 A C -0.465 177.391 177.584 0.453 0.000 1.297 223 A CA -0.470 51.711 52.037 0.240 0.000 0.865 223 A CB 0.879 19.567 19.000 -0.519 0.000 1.165 223 A HN 0.788 nan 8.150 nan 0.000 0.513 224 M N 6.308 126.230 119.600 0.537 0.000 2.129 224 M HA 0.427 4.902 4.480 -0.008 0.000 0.348 224 M C -2.551 174.021 176.300 0.453 0.000 1.116 224 M CA -2.098 53.457 55.300 0.426 0.000 1.022 224 M CB 1.943 34.717 32.600 0.290 0.000 1.599 224 M HN 0.383 nan 8.290 nan 0.000 0.449 225 P HA 0.242 nan 4.420 nan 0.000 0.286 225 P C -1.960 175.266 177.300 -0.123 0.000 1.261 225 P CA -0.136 62.870 63.100 -0.157 0.000 0.821 225 P CB 0.748 32.122 31.700 -0.543 0.000 1.013 226 Y N 0.609 120.843 120.300 -0.110 0.000 2.338 226 Y HA 0.309 4.854 4.550 -0.008 0.000 0.333 226 Y C 0.170 176.062 175.900 -0.014 0.000 0.968 226 Y CA -0.291 57.804 58.100 -0.007 0.000 1.123 226 Y CB 1.402 39.889 38.460 0.044 0.000 1.165 226 Y HN 0.219 nan 8.280 nan 0.000 0.452 227 D N 1.967 122.477 120.400 0.183 0.000 2.198 227 D HA 0.407 5.043 4.640 -0.008 0.000 0.245 227 D C -0.582 175.952 176.300 0.390 0.000 1.079 227 D CA -0.205 53.950 54.000 0.258 0.000 0.854 227 D CB 1.726 42.714 40.800 0.313 0.000 1.148 227 D HN 0.363 nan 8.370 nan 0.000 0.456 228 T N 3.275 117.961 114.554 0.220 0.000 2.824 228 T HA 0.455 4.801 4.350 -0.008 0.000 0.282 228 T C -2.514 172.037 174.700 -0.247 0.000 0.993 228 T CA -1.449 60.680 62.100 0.047 0.000 0.967 228 T CB 2.051 70.938 68.868 0.033 0.000 0.960 228 T HN 0.182 nan 8.240 nan 0.000 0.441 229 P HA 0.301 nan 4.420 nan 0.000 0.275 229 P C -1.002 175.972 177.300 -0.543 0.000 1.227 229 P CA -0.383 62.052 63.100 -1.109 0.000 0.781 229 P CB 0.889 31.673 31.700 -1.526 0.000 0.906 230 V N 5.186 124.844 119.914 -0.428 0.000 2.327 230 V HA 0.252 4.367 4.120 -0.008 0.000 0.272 230 V C -2.017 173.948 176.094 -0.216 0.000 1.019 230 V CA -1.914 60.228 62.300 -0.263 0.000 0.814 230 V CB 1.358 33.073 31.823 -0.180 0.000 1.040 230 V HN 0.553 nan 8.190 nan 0.000 0.440 231 P HA 0.249 nan 4.420 nan 0.000 0.280 231 P C 0.373 177.624 177.300 -0.082 0.000 1.244 231 P CA 0.359 63.373 63.100 -0.145 0.000 0.784 231 P CB 1.726 33.336 31.700 -0.150 0.000 0.913 232 G N 2.405 111.174 108.800 -0.051 0.000 2.599 232 G HA2 0.136 4.092 3.960 -0.008 0.000 0.264 232 G HA3 0.136 4.092 3.960 -0.008 0.000 0.264 232 G C -1.179 173.735 174.900 0.023 0.000 1.200 232 G CA -0.613 44.486 45.100 -0.002 0.000 0.896 232 G HN 0.531 nan 8.290 nan 0.000 0.536 233 Y N 0.905 121.168 120.300 -0.061 0.000 2.584 233 Y HA 0.243 4.789 4.550 -0.008 0.000 0.351 233 Y C 1.393 177.256 175.900 -0.061 0.000 1.030 233 Y CA -0.213 57.846 58.100 -0.069 0.000 1.332 233 Y CB -0.019 38.398 38.460 -0.071 0.000 1.148 233 Y HN 0.715 nan 8.280 nan 0.000 0.528 234 R N 3.213 123.394 120.500 -0.532 0.000 3.484 234 R HA -0.330 4.006 4.340 -0.008 0.000 0.260 234 R C 0.047 176.204 176.300 -0.238 0.000 1.053 234 R CA 1.362 57.183 56.100 -0.464 0.000 0.703 234 R CB -2.097 27.758 30.300 -0.743 0.000 1.089 234 R HN 0.948 nan 8.270 nan 0.000 0.459 235 N N -0.730 117.886 118.700 -0.140 0.000 2.177 235 N HA 0.045 4.780 4.740 -0.008 0.000 0.218 235 N C -0.100 175.366 175.510 -0.074 0.000 1.182 235 N CA -0.515 52.486 53.050 -0.081 0.000 0.882 235 N CB 0.497 38.964 38.487 -0.034 0.000 1.052 235 N HN 0.090 nan 8.380 nan 0.000 0.519 236 N N -0.206 118.444 118.700 -0.083 0.000 2.800 236 N HA -0.132 4.603 4.740 -0.008 0.000 0.250 236 N C -0.953 174.520 175.510 -0.061 0.000 1.078 236 N CA 0.585 53.595 53.050 -0.067 0.000 0.804 236 N CB -1.261 37.186 38.487 -0.066 0.000 1.135 236 N HN 0.185 nan 8.380 nan 0.000 0.565 237 V N 1.128 121.010 119.914 -0.053 0.000 2.509 237 V HA 0.475 4.591 4.120 -0.008 0.000 0.284 237 V C 0.584 176.653 176.094 -0.041 0.000 1.047 237 V CA -0.480 61.797 62.300 -0.038 0.000 0.952 237 V CB 2.204 34.029 31.823 0.004 0.000 0.988 237 V HN -0.043 nan 8.190 nan 0.000 0.469 238 V N 5.237 125.133 119.914 -0.031 0.000 2.462 238 V HA 0.421 4.536 4.120 -0.008 0.000 0.288 238 V C -0.131 175.956 176.094 -0.013 0.000 1.020 238 V CA -0.853 61.400 62.300 -0.079 0.000 0.857 238 V CB 1.478 33.234 31.823 -0.111 0.000 1.013 238 V HN 0.848 nan 8.190 nan 0.000 0.431 239 N N 1.924 120.591 118.700 -0.054 0.000 2.418 239 N HA 0.562 5.297 4.740 -0.008 0.000 0.283 239 N C -0.017 175.486 175.510 -0.012 0.000 1.267 239 N CA -0.258 52.785 53.050 -0.012 0.000 0.975 239 N CB 1.124 39.561 38.487 -0.082 0.000 1.167 239 N HN 0.576 nan 8.380 nan 0.000 0.581 240 T N 0.725 115.285 114.554 0.011 0.000 2.841 240 T HA 0.430 4.775 4.350 -0.008 0.000 0.283 240 T C -0.307 174.370 174.700 -0.038 0.000 1.000 240 T CA -0.520 61.652 62.100 0.119 0.000 0.977 240 T CB 1.145 70.213 68.868 0.333 0.000 0.979 240 T HN 0.321 nan 8.240 nan 0.000 0.446 241 M N 3.679 123.220 119.600 -0.098 0.000 2.072 241 M HA 0.515 4.991 4.480 -0.008 0.000 0.331 241 M C -0.601 175.556 176.300 -0.239 0.000 1.004 241 M CA -0.750 54.395 55.300 -0.259 0.000 0.952 241 M CB 0.817 33.207 32.600 -0.350 0.000 1.511 241 M HN 0.483 nan 8.290 nan 0.000 0.422 242 R N 4.817 125.068 120.500 -0.416 0.000 2.265 242 R HA 0.534 4.869 4.340 -0.008 0.000 0.328 242 R C -1.949 174.088 176.300 -0.439 0.000 0.969 242 R CA -0.594 55.222 56.100 -0.474 0.000 0.832 242 R CB 0.878 30.714 30.300 -0.773 0.000 1.139 242 R HN 0.649 nan 8.270 nan 0.000 0.457 243 L N 5.517 126.589 121.223 -0.252 0.000 2.296 243 L HA 0.455 4.790 4.340 -0.008 0.000 0.286 243 L C -0.947 175.891 176.870 -0.054 0.000 1.023 243 L CA -0.454 54.336 54.840 -0.084 0.000 0.812 243 L CB 1.073 43.163 42.059 0.052 0.000 1.223 243 L HN 0.610 nan 8.230 nan 0.000 0.421 244 W N 2.328 123.763 121.300 0.225 0.000 2.316 244 W HA 0.580 5.235 4.660 -0.008 0.000 0.321 244 W C 0.532 177.289 176.519 0.397 0.000 1.203 244 W CA -0.254 57.246 57.345 0.259 0.000 1.214 244 W CB 1.402 30.873 29.460 0.019 0.000 1.169 244 W HN 0.428 nan 8.180 nan 0.000 0.561 245 S N 1.837 117.957 115.700 0.700 0.000 2.500 245 S HA 0.754 5.219 4.470 -0.008 0.000 0.301 245 S C -0.462 174.481 174.600 0.571 0.000 1.092 245 S CA -0.729 57.777 58.200 0.511 0.000 1.030 245 S CB 0.606 64.052 63.200 0.408 0.000 1.031 245 S HN 0.531 nan 8.310 nan 0.000 0.483 246 A N 4.948 127.937 122.820 0.281 0.000 2.366 246 A HA 0.625 4.940 4.320 -0.008 0.000 0.272 246 A C -0.055 177.588 177.584 0.098 0.000 1.135 246 A CA -0.192 51.903 52.037 0.096 0.000 0.804 246 A CB 0.306 19.085 19.000 -0.368 0.000 1.064 246 A HN 0.648 nan 8.150 nan 0.000 0.499 247 K N 1.099 121.568 120.400 0.114 0.000 2.427 247 K HA 0.619 4.935 4.320 -0.008 0.000 0.252 247 K C -0.570 176.000 176.600 -0.050 0.000 0.931 247 K CA -0.412 55.901 56.287 0.044 0.000 0.793 247 K CB 2.253 34.812 32.500 0.098 0.000 1.211 247 K HN 0.827 nan 8.250 nan 0.000 0.426 248 A N 4.305 127.036 122.820 -0.149 0.000 2.354 248 A HA 0.514 4.829 4.320 -0.008 0.000 0.269 248 A C -2.137 175.368 177.584 -0.131 0.000 1.109 248 A CA -1.190 50.652 52.037 -0.325 0.000 0.800 248 A CB -0.111 18.533 19.000 -0.593 0.000 1.045 248 A HN 0.375 nan 8.150 nan 0.000 0.489 249 P HA 0.084 nan 4.420 nan 0.000 0.272 249 P C -0.023 177.341 177.300 0.105 0.000 1.230 249 P CA -0.376 62.751 63.100 0.045 0.000 0.788 249 P CB 0.635 32.385 31.700 0.083 0.000 0.949 250 N N 0.814 119.571 118.700 0.095 0.000 2.459 250 N HA -0.096 4.640 4.740 -0.008 0.000 0.181 250 N C 0.836 176.427 175.510 0.134 0.000 1.046 250 N CA 0.956 54.071 53.050 0.108 0.000 0.904 250 N CB -0.306 38.228 38.487 0.079 0.000 0.964 250 N HN 0.594 nan 8.380 nan 0.000 0.444 251 D N -0.635 119.848 120.400 0.137 0.000 2.395 251 D HA -0.065 4.571 4.640 -0.008 0.000 0.226 251 D C -0.068 176.322 176.300 0.150 0.000 1.146 251 D CA -0.622 53.450 54.000 0.120 0.000 0.830 251 D CB -0.837 40.016 40.800 0.087 0.000 0.958 251 D HN -0.049 nan 8.370 nan 0.000 0.501 252 F N 2.377 122.343 119.950 0.028 0.000 2.504 252 F HA 0.151 4.673 4.527 -0.008 0.000 0.369 252 F C 1.053 176.861 175.800 0.013 0.000 1.082 252 F CA -0.095 57.918 58.000 0.022 0.000 1.216 252 F CB 0.284 39.296 39.000 0.020 0.000 1.108 252 F HN -0.106 nan 8.300 nan 0.000 0.554 253 N N 2.660 121.005 118.700 -0.591 0.000 2.857 253 N HA -0.281 4.455 4.740 -0.008 0.000 0.242 253 N C -0.592 174.819 175.510 -0.166 0.000 0.983 253 N CA 1.604 54.384 53.050 -0.450 0.000 0.934 253 N CB -1.288 36.919 38.487 -0.467 0.000 1.115 253 N HN 0.509 nan 8.380 nan 0.000 0.593 262 Y N 1.822 122.118 120.300 -0.007 0.000 2.097 262 Y HA -0.080 4.465 4.550 -0.008 0.000 0.282 262 Y C 2.752 178.655 175.900 0.005 0.000 1.152 262 Y CA 2.353 60.452 58.100 -0.001 0.000 1.136 262 Y CB -0.176 38.285 38.460 0.002 0.000 0.975 262 Y HN 0.202 nan 8.280 nan 0.000 0.498 263 I N 0.481 120.971 120.570 -0.133 0.000 2.163 263 I HA -0.331 3.835 4.170 -0.008 0.000 0.243 263 I C 2.419 178.423 176.117 -0.189 0.000 1.085 263 I CA 1.588 62.760 61.300 -0.213 0.000 1.347 263 I CB -1.437 36.549 38.000 -0.024 0.000 1.044 263 I HN 0.383 nan 8.210 nan 0.000 0.408 264 Q N 0.484 120.223 119.800 -0.102 0.000 2.096 264 Q HA -0.144 4.191 4.340 -0.008 0.000 0.204 264 Q C 2.381 178.325 176.000 -0.093 0.000 0.982 264 Q CA 1.962 57.721 55.803 -0.075 0.000 0.850 264 Q CB -0.365 28.346 28.738 -0.044 0.000 0.901 264 Q HN 0.561 nan 8.270 nan 0.000 0.422 265 A N -0.075 122.669 122.820 -0.126 0.000 1.908 265 A HA -0.140 4.176 4.320 -0.008 0.000 0.218 265 A C 2.407 179.931 177.584 -0.100 0.000 1.181 265 A CA 1.668 53.629 52.037 -0.127 0.000 0.627 265 A CB -0.661 18.267 19.000 -0.119 0.000 0.818 265 A HN 0.231 nan 8.150 nan 0.000 0.445 266 V N 0.155 119.948 119.914 -0.202 0.000 2.358 266 V HA -0.227 3.889 4.120 -0.008 0.000 0.246 266 V C 2.514 178.580 176.094 -0.046 0.000 1.047 266 V CA 1.849 64.058 62.300 -0.151 0.000 1.035 266 V CB -0.703 30.929 31.823 -0.318 0.000 0.658 266 V HN 0.570 nan 8.190 nan 0.000 0.452 267 L N -0.318 120.869 121.223 -0.059 0.000 2.141 267 L HA -0.120 4.215 4.340 -0.008 0.000 0.209 267 L C 1.957 178.848 176.870 0.035 0.000 1.094 267 L CA 1.150 55.982 54.840 -0.013 0.000 0.763 267 L CB -0.663 41.382 42.059 -0.024 0.000 0.908 267 L HN 0.322 nan 8.230 nan 0.000 0.437 268 D N 0.099 120.531 120.400 0.053 0.000 2.378 268 D HA -0.069 4.567 4.640 -0.008 0.000 0.227 268 D C 2.105 178.590 176.300 0.309 0.000 1.012 268 D CA 0.425 54.497 54.000 0.120 0.000 0.905 268 D CB 0.014 40.845 40.800 0.052 0.000 0.895 268 D HN 0.250 nan 8.370 nan 0.000 0.532 269 R N 0.452 121.120 120.500 0.281 0.000 2.152 269 R HA -0.041 4.294 4.340 -0.008 0.000 0.232 269 R C 1.640 177.960 176.300 0.034 0.000 1.117 269 R CA 0.608 56.842 56.100 0.222 0.000 0.981 269 R CB -0.069 30.295 30.300 0.107 0.000 0.870 269 R HN 0.153 nan 8.270 nan 0.000 0.451 270 N N 0.654 119.391 118.700 0.061 0.000 2.348 270 N HA -0.145 4.590 4.740 -0.008 0.000 0.185 270 N C 1.501 177.024 175.510 0.023 0.000 1.019 270 N CA 0.972 54.039 53.050 0.028 0.000 0.880 270 N CB -0.043 38.466 38.487 0.037 0.000 0.965 270 N HN 0.095 nan 8.380 nan 0.000 0.437 271 L N 1.088 122.352 121.223 0.069 0.000 2.046 271 L HA -0.093 4.243 4.340 -0.008 0.000 0.208 271 L C 2.400 179.268 176.870 -0.004 0.000 1.077 271 L CA 1.354 56.234 54.840 0.066 0.000 0.747 271 L CB -1.103 41.045 42.059 0.148 0.000 0.896 271 L HN 0.100 nan 8.230 nan 0.000 0.432 272 A N -0.904 121.863 122.820 -0.088 0.000 1.929 272 A HA -0.133 4.183 4.320 -0.008 0.000 0.216 272 A C 2.091 179.560 177.584 -0.192 0.000 1.176 272 A CA 1.127 53.036 52.037 -0.214 0.000 0.628 272 A CB -0.395 18.290 19.000 -0.525 0.000 0.816 272 A HN 0.520 nan 8.150 nan 0.000 0.444 273 E N 0.170 120.282 120.200 -0.146 0.000 2.482 273 E HA -0.066 4.279 4.350 -0.008 0.000 0.196 273 E C 0.897 177.463 176.600 -0.056 0.000 1.047 273 E CA 0.153 56.495 56.400 -0.096 0.000 0.869 273 E CB -0.149 29.522 29.700 -0.049 0.000 0.836 273 E HN 0.440 nan 8.360 nan 0.000 0.520 274 N N 1.113 119.786 118.700 -0.044 0.000 2.453 274 N HA -0.070 4.665 4.740 -0.008 0.000 0.183 274 N C 1.629 177.136 175.510 -0.006 0.000 1.041 274 N CA 0.569 53.621 53.050 0.002 0.000 0.900 274 N CB -0.021 38.472 38.487 0.010 0.000 0.961 274 N HN 0.268 nan 8.380 nan 0.000 0.443 275 I N 0.348 120.853 120.570 -0.107 0.000 2.194 275 I HA -0.254 3.912 4.170 -0.008 0.000 0.246 275 I C 1.398 177.475 176.117 -0.066 0.000 1.093 275 I CA 1.287 62.492 61.300 -0.159 0.000 1.355 275 I CB -0.217 37.515 38.000 -0.446 0.000 1.046 275 I HN 0.134 nan 8.210 nan 0.000 0.413 276 S N -0.552 115.105 115.700 -0.071 0.000 2.574 276 S HA 0.193 4.659 4.470 -0.008 0.000 0.242 276 S C 1.451 176.189 174.600 0.231 0.000 0.982 276 S CA -0.560 57.691 58.200 0.085 0.000 0.977 276 S CB 0.293 63.520 63.200 0.046 0.000 0.814 276 S HN 0.204 nan 8.310 nan 0.000 0.464 277 R N 1.267 121.901 120.500 0.223 0.000 2.062 277 R HA 0.277 4.612 4.340 -0.008 0.000 0.229 277 R C 0.440 176.996 176.300 0.426 0.000 1.128 277 R CA 1.174 57.452 56.100 0.297 0.000 0.960 277 R CB -0.243 30.189 30.300 0.221 0.000 0.855 277 R HN 0.401 nan 8.270 nan 0.000 0.432 278 V N 0.141 120.251 119.914 0.325 0.000 3.012 278 V HA 0.377 4.492 4.120 -0.008 0.000 0.307 278 V C -1.636 174.404 176.094 -0.091 0.000 1.166 278 V CA -1.383 61.030 62.300 0.188 0.000 0.974 278 V CB 1.820 33.676 31.823 0.056 0.000 1.040 278 V HN 0.147 nan 8.190 nan 0.000 0.428 279 L N 6.172 127.117 121.223 -0.464 0.000 2.331 279 L HA 0.503 4.839 4.340 -0.008 0.000 0.278 279 L C -0.913 175.774 176.870 -0.305 0.000 1.106 279 L CA 0.368 54.715 54.840 -0.821 0.000 0.824 279 L CB 0.632 42.135 42.059 -0.927 0.000 1.142 279 L HN 0.679 nan 8.230 nan 0.000 0.443 280 Y N 6.829 127.034 120.300 -0.159 0.000 2.569 280 Y HA 0.204 4.749 4.550 -0.008 0.000 0.332 280 Y C -1.354 174.536 175.900 -0.016 0.000 1.120 280 Y CA -1.287 56.797 58.100 -0.025 0.000 1.416 280 Y CB 0.379 38.853 38.460 0.023 0.000 1.210 280 Y HN 0.572 nan 8.280 nan 0.000 0.528 281 P HA -0.029 nan 4.420 nan 0.000 0.259 281 P C -0.817 176.605 177.300 0.204 0.000 1.480 281 P CA 0.269 63.465 63.100 0.161 0.000 0.842 281 P CB 0.090 31.977 31.700 0.312 0.000 1.513 282 N N 1.346 120.180 118.700 0.223 0.000 2.438 282 N HA 0.164 4.899 4.740 -0.008 0.000 0.282 282 N C -0.706 174.956 175.510 0.254 0.000 1.037 282 N CA 0.047 53.253 53.050 0.260 0.000 0.942 282 N CB 1.224 39.912 38.487 0.335 0.000 1.136 282 N HN 0.068 nan 8.380 nan 0.000 0.481 283 D N 1.121 121.704 120.400 0.306 0.000 2.381 283 D HA 0.190 4.825 4.640 -0.008 0.000 0.235 283 D C -0.075 176.539 176.300 0.524 0.000 1.068 283 D CA -0.304 53.910 54.000 0.356 0.000 0.832 283 D CB 0.269 41.282 40.800 0.355 0.000 1.101 283 D HN 0.324 nan 8.370 nan 0.000 0.515 284 N N 2.985 121.902 118.700 0.361 0.000 2.740 284 N HA -0.240 4.495 4.740 -0.008 0.000 0.248 284 N C -1.486 174.255 175.510 0.384 0.000 1.062 284 N CA 0.639 53.860 53.050 0.286 0.000 0.704 284 N CB -0.847 37.724 38.487 0.140 0.000 0.968 284 N HN 0.417 nan 8.380 nan 0.000 0.547 285 F N 0.672 120.735 119.950 0.188 0.000 2.604 285 F HA 0.446 4.969 4.527 -0.008 0.000 0.316 285 F C -1.311 174.576 175.800 0.145 0.000 1.136 285 F CA -1.069 57.013 58.000 0.138 0.000 0.989 285 F CB 0.926 39.977 39.000 0.086 0.000 1.258 285 F HN -0.019 nan 8.300 nan 0.000 0.451 286 F N 5.687 125.200 119.950 -0.729 0.000 2.410 286 F HA 0.503 5.025 4.527 -0.008 0.000 0.349 286 F C -0.565 174.806 175.800 -0.714 0.000 1.117 286 F CA -0.200 57.449 58.000 -0.586 0.000 1.104 286 F CB 0.854 39.546 39.000 -0.513 0.000 1.122 286 F HN 0.588 nan 8.300 nan 0.000 0.483 287 E N 4.184 123.747 120.200 -1.062 0.000 2.182 287 E HA 0.294 4.640 4.350 -0.008 0.000 0.258 287 E C -0.207 175.639 176.600 -1.256 0.000 0.879 287 E CA -0.752 55.129 56.400 -0.865 0.000 0.754 287 E CB 1.346 30.917 29.700 -0.216 0.000 1.162 287 E HN 0.922 nan 8.360 nan 0.000 0.419 288 G N 5.248 113.220 108.800 -1.379 0.000 3.197 288 G HA2 0.018 3.974 3.960 -0.008 0.000 0.257 288 G HA3 0.018 3.974 3.960 -0.008 0.000 0.257 288 G C -0.027 174.809 174.900 -0.107 0.000 0.835 288 G CA -0.152 44.374 45.100 -0.957 0.000 2.001 288 G HN 0.192 nan 8.290 nan 0.000 0.625 289 K N 0.509 120.906 120.400 -0.004 0.000 2.130 289 K HA 0.188 4.504 4.320 -0.008 0.000 0.268 289 K C 0.975 177.719 176.600 0.240 0.000 0.983 289 K CA -0.650 55.719 56.287 0.136 0.000 0.893 289 K CB 2.217 34.789 32.500 0.120 0.000 1.066 289 K HN 0.430 nan 8.250 nan 0.000 0.450 290 E N 1.673 121.980 120.200 0.178 0.000 2.070 290 E HA -0.229 4.117 4.350 -0.008 0.000 0.197 290 E C 1.566 178.200 176.600 0.058 0.000 1.004 290 E CA 1.165 57.621 56.400 0.093 0.000 0.805 290 E CB 0.136 29.896 29.700 0.100 0.000 0.744 290 E HN 0.406 nan 8.360 nan 0.000 0.451 291 L N 1.370 122.669 121.223 0.128 0.000 2.081 291 L HA -0.208 4.128 4.340 -0.008 0.000 0.212 291 L C 2.463 179.436 176.870 0.172 0.000 1.080 291 L CA 1.938 56.873 54.840 0.159 0.000 0.754 291 L CB -0.542 41.681 42.059 0.273 0.000 0.893 291 L HN 0.021 nan 8.230 nan 0.000 0.433 292 R N -0.651 119.900 120.500 0.084 0.000 2.075 292 R HA -0.155 4.181 4.340 -0.008 0.000 0.232 292 R C 2.113 178.459 176.300 0.077 0.000 1.126 292 R CA 1.861 57.935 56.100 -0.042 0.000 0.963 292 R CB -1.012 29.057 30.300 -0.386 0.000 0.858 292 R HN 0.418 nan 8.270 nan 0.000 0.435 293 L N 0.873 122.044 121.223 -0.088 0.000 2.083 293 L HA -0.062 4.274 4.340 -0.008 0.000 0.209 293 L C 1.694 178.511 176.870 -0.088 0.000 1.083 293 L CA 1.888 56.467 54.840 -0.435 0.000 0.752 293 L CB -0.399 41.096 42.059 -0.940 0.000 0.899 293 L HN 0.157 nan 8.230 nan 0.000 0.433 294 K N -0.982 119.423 120.400 0.007 0.000 2.057 294 K HA -0.185 4.130 4.320 -0.008 0.000 0.207 294 K C 2.074 178.852 176.600 0.297 0.000 1.049 294 K CA 1.753 58.131 56.287 0.151 0.000 0.931 294 K CB -0.169 32.239 32.500 -0.153 0.000 0.714 294 K HN 0.514 nan 8.250 nan 0.000 0.440 295 Q N 0.617 120.551 119.800 0.223 0.000 2.084 295 Q HA -0.190 4.146 4.340 -0.008 0.000 0.202 295 Q C 1.937 178.143 176.000 0.343 0.000 0.978 295 Q CA 1.420 57.408 55.803 0.308 0.000 0.844 295 Q CB -0.039 28.903 28.738 0.341 0.000 0.898 295 Q HN 0.391 nan 8.270 nan 0.000 0.426 296 E N -0.110 120.244 120.200 0.257 0.000 2.077 296 E HA -0.210 4.135 4.350 -0.008 0.000 0.193 296 E C 1.731 178.445 176.600 0.190 0.000 0.989 296 E CA 1.053 57.586 56.400 0.221 0.000 0.800 296 E CB -0.135 29.675 29.700 0.183 0.000 0.746 296 E HN 0.325 nan 8.360 nan 0.000 0.452 297 Y N 0.317 120.661 120.300 0.073 0.000 2.263 297 Y HA -0.181 4.364 4.550 -0.008 0.000 0.292 297 Y C 1.923 177.841 175.900 0.030 0.000 1.130 297 Y CA 0.864 58.949 58.100 -0.025 0.000 1.179 297 Y CB -0.302 38.090 38.460 -0.115 0.000 0.998 297 Y HN 0.009 nan 8.280 nan 0.000 0.532 298 F N -0.285 119.652 119.950 -0.023 0.000 2.069 298 F HA -0.243 4.279 4.527 -0.008 0.000 0.298 298 F C 2.499 178.152 175.800 -0.245 0.000 1.113 298 F CA 2.065 60.012 58.000 -0.089 0.000 1.214 298 F CB -1.106 37.997 39.000 0.172 0.000 0.978 298 F HN -0.070 nan 8.300 nan 0.000 0.474 299 V N -0.381 119.504 119.914 -0.047 0.000 2.407 299 V HA -0.210 3.906 4.120 -0.008 0.000 0.248 299 V C 2.186 178.131 176.094 -0.249 0.000 1.055 299 V CA 1.999 64.235 62.300 -0.106 0.000 1.049 299 V CB -0.432 31.525 31.823 0.224 0.000 0.662 299 V HN 0.271 nan 8.190 nan 0.000 0.455 300 V N 0.444 120.217 119.914 -0.234 0.000 2.307 300 V HA -0.174 3.941 4.120 -0.008 0.000 0.245 300 V C 2.828 178.653 176.094 -0.448 0.000 1.045 300 V CA 2.141 64.284 62.300 -0.262 0.000 1.024 300 V CB -1.135 30.593 31.823 -0.159 0.000 0.651 300 V HN 0.651 nan 8.190 nan 0.000 0.449 301 A N -0.097 122.278 122.820 -0.743 0.000 1.877 301 A HA -0.133 4.183 4.320 -0.008 0.000 0.216 301 A C 2.409 179.603 177.584 -0.650 0.000 1.186 301 A CA 2.230 53.818 52.037 -0.748 0.000 0.620 301 A CB -0.866 17.455 19.000 -1.131 0.000 0.822 301 A HN 0.570 nan 8.150 nan 0.000 0.443 302 A N -1.114 121.155 122.820 -0.920 0.000 1.877 302 A HA -0.069 4.247 4.320 -0.008 0.000 0.216 302 A C 2.320 179.385 177.584 -0.865 0.000 1.186 302 A CA 2.300 53.599 52.037 -1.230 0.000 0.620 302 A CB -1.318 16.254 19.000 -2.379 0.000 0.822 302 A HN 0.432 nan 8.150 nan 0.000 0.443 303 T N 0.537 114.724 114.554 -0.613 0.000 2.684 303 T HA -0.114 4.231 4.350 -0.008 0.000 0.267 303 T C 1.828 176.250 174.700 -0.463 0.000 1.036 303 T CA 1.501 63.359 62.100 -0.402 0.000 1.148 303 T CB -0.412 68.220 68.868 -0.394 0.000 0.863 303 T HN 0.343 nan 8.240 nan 0.000 0.436 304 L N 0.717 121.715 121.223 -0.374 0.000 2.083 304 L HA -0.175 4.160 4.340 -0.008 0.000 0.209 304 L C 2.922 179.668 176.870 -0.207 0.000 1.083 304 L CA 1.425 56.099 54.840 -0.278 0.000 0.752 304 L CB -0.540 41.396 42.059 -0.205 0.000 0.899 304 L HN 0.372 nan 8.230 nan 0.000 0.433 305 Q N -0.611 119.065 119.800 -0.207 0.000 2.124 305 Q HA -0.244 4.091 4.340 -0.008 0.000 0.202 305 Q C 1.771 177.728 176.000 -0.072 0.000 0.977 305 Q CA 1.661 57.393 55.803 -0.118 0.000 0.850 305 Q CB -0.123 28.535 28.738 -0.134 0.000 0.901 305 Q HN 0.401 nan 8.270 nan 0.000 0.429 306 D N 0.598 120.943 120.400 -0.090 0.000 2.117 306 D HA -0.102 4.534 4.640 -0.008 0.000 0.197 306 D C 1.689 177.917 176.300 -0.120 0.000 0.987 306 D CA 0.872 54.862 54.000 -0.017 0.000 0.829 306 D CB -0.024 40.867 40.800 0.152 0.000 0.961 306 D HN 0.163 nan 8.370 nan 0.000 0.460 307 I N 0.225 120.615 120.570 -0.299 0.000 2.179 307 I HA -0.244 3.921 4.170 -0.008 0.000 0.242 307 I C 2.329 178.440 176.117 -0.010 0.000 1.088 307 I CA 0.784 61.849 61.300 -0.393 0.000 1.357 307 I CB -0.184 37.439 38.000 -0.629 0.000 1.051 307 I HN 0.047 nan 8.210 nan 0.000 0.409 308 I N 0.274 120.903 120.570 0.098 0.000 2.226 308 I HA -0.294 3.871 4.170 -0.008 0.000 0.245 308 I C 2.797 179.074 176.117 0.268 0.000 1.100 308 I CA 1.154 62.640 61.300 0.311 0.000 1.374 308 I CB -0.475 37.664 38.000 0.231 0.000 1.057 308 I HN 0.228 nan 8.210 nan 0.000 0.413 309 R N 1.385 121.962 120.500 0.128 0.000 2.080 309 R HA -0.240 4.095 4.340 -0.008 0.000 0.236 309 R C 2.514 178.867 176.300 0.089 0.000 1.137 309 R CA 1.913 58.068 56.100 0.091 0.000 0.943 309 R CB -0.310 30.015 30.300 0.042 0.000 0.846 309 R HN 0.197 nan 8.270 nan 0.000 0.431 310 R N -0.642 119.904 120.500 0.077 0.000 2.120 310 R HA -0.179 4.157 4.340 -0.008 0.000 0.234 310 R C 2.163 178.546 176.300 0.138 0.000 1.123 310 R CA 1.740 57.891 56.100 0.084 0.000 0.975 310 R CB -0.369 29.969 30.300 0.064 0.000 0.866 310 R HN 0.308 nan 8.270 nan 0.000 0.446 311 F N 1.402 121.378 119.950 0.044 0.000 2.113 311 F HA -0.081 4.441 4.527 -0.008 0.000 0.297 311 F C 1.638 177.445 175.800 0.011 0.000 1.103 311 F CA 1.494 59.516 58.000 0.036 0.000 1.248 311 F CB -0.035 39.037 39.000 0.119 0.000 0.999 311 F HN -0.150 nan 8.300 nan 0.000 0.475 312 K N -0.326 120.031 120.400 -0.073 0.000 2.360 312 K HA -0.046 4.270 4.320 -0.008 0.000 0.201 312 K C 1.562 178.057 176.600 -0.175 0.000 1.046 312 K CA 1.184 57.344 56.287 -0.211 0.000 0.945 312 K CB -0.235 32.259 32.500 -0.010 0.000 0.750 312 K HN 0.160 nan 8.250 nan 0.000 0.464 313 S N 0.651 116.302 115.700 -0.082 0.000 2.597 313 S HA 0.108 4.573 4.470 -0.008 0.000 0.224 313 S C 0.325 174.921 174.600 -0.006 0.000 0.955 313 S CA -0.299 57.895 58.200 -0.009 0.000 0.933 313 S CB 0.370 63.608 63.200 0.064 0.000 0.788 313 S HN 0.123 nan 8.310 nan 0.000 0.488 325 N N 1.295 119.985 118.700 -0.017 0.000 2.402 325 N HA 0.320 5.055 4.740 -0.008 0.000 0.252 325 N C 0.307 175.879 175.510 0.104 0.000 1.118 325 N CA -0.400 52.695 53.050 0.074 0.000 0.945 325 N CB 0.384 38.912 38.487 0.069 0.000 1.147 325 N HN 0.365 nan 8.380 nan 0.000 0.495 326 F N 0.790 120.836 119.950 0.161 0.000 2.816 326 F HA 0.003 4.525 4.527 -0.008 0.000 0.302 326 F C 1.505 177.372 175.800 0.111 0.000 1.178 326 F CA 0.186 58.272 58.000 0.143 0.000 1.421 326 F CB 0.177 39.144 39.000 -0.055 0.000 1.114 326 F HN 0.518 nan 8.300 nan 0.000 0.573 327 D N 0.225 120.765 120.400 0.232 0.000 2.218 327 D HA -0.130 4.505 4.640 -0.008 0.000 0.204 327 D C 2.181 178.572 176.300 0.153 0.000 0.976 327 D CA 1.159 55.252 54.000 0.156 0.000 0.853 327 D CB -0.033 40.834 40.800 0.110 0.000 0.939 327 D HN 0.325 nan 8.370 nan 0.000 0.481 328 A N -0.187 122.752 122.820 0.199 0.000 2.275 328 A HA 0.061 4.377 4.320 -0.008 0.000 0.212 328 A C 1.696 179.393 177.584 0.189 0.000 1.201 328 A CA -0.312 51.840 52.037 0.191 0.000 0.843 328 A CB -0.627 18.497 19.000 0.208 0.000 0.873 328 A HN 0.115 nan 8.150 nan 0.000 0.492 329 F N 1.881 121.792 119.950 -0.066 0.000 2.065 329 F HA -0.151 4.372 4.527 -0.007 0.000 0.298 329 F C -0.793 174.895 175.800 -0.188 0.000 1.112 329 F CA 2.567 60.312 58.000 -0.425 0.000 1.212 329 F CB -0.646 38.127 39.000 -0.379 0.000 0.975 329 F HN 0.196 nan 8.300 nan 0.000 0.476 330 P HA -0.107 nan 4.420 nan 0.000 0.225 330 P C 0.732 177.992 177.300 -0.066 0.000 1.148 330 P CA 1.544 64.623 63.100 -0.035 0.000 0.779 330 P CB -0.054 31.648 31.700 0.005 0.000 0.780 331 D N -1.005 119.375 120.400 -0.034 0.000 2.289 331 D HA -0.020 4.616 4.640 -0.008 0.000 0.207 331 D C 1.499 177.785 176.300 -0.024 0.000 0.966 331 D CA 0.894 54.886 54.000 -0.012 0.000 0.868 331 D CB 0.112 40.926 40.800 0.024 0.000 0.943 331 D HN 0.148 nan 8.370 nan 0.000 0.514 332 K N 0.150 120.514 120.400 -0.059 0.000 2.373 332 K HA 0.210 4.525 4.320 -0.008 0.000 0.200 332 K C 0.024 176.536 176.600 -0.147 0.000 1.054 332 K CA 0.064 56.326 56.287 -0.042 0.000 1.065 332 K CB 2.241 34.820 32.500 0.133 0.000 0.886 332 K HN -0.049 nan 8.250 nan 0.000 0.546 333 V N 0.814 120.550 119.914 -0.296 0.000 2.760 333 V HA 0.654 4.770 4.120 -0.008 0.000 0.309 333 V C -1.144 174.863 176.094 -0.145 0.000 1.077 333 V CA -1.271 60.852 62.300 -0.294 0.000 0.910 333 V CB 1.915 33.259 31.823 -0.798 0.000 1.008 333 V HN 0.103 nan 8.190 nan 0.000 0.424 334 A N 5.403 128.193 122.820 -0.049 0.000 2.359 334 A HA 0.911 5.226 4.320 -0.008 0.000 0.303 334 A C -1.090 176.519 177.584 0.042 0.000 1.066 334 A CA -0.412 51.626 52.037 0.000 0.000 0.730 334 A CB 1.062 20.007 19.000 -0.091 0.000 1.211 334 A HN 0.757 nan 8.150 nan 0.000 0.439 335 I N 1.969 122.614 120.570 0.126 0.000 2.382 335 I HA 0.308 4.473 4.170 -0.008 0.000 0.286 335 I C -0.344 175.873 176.117 0.167 0.000 1.002 335 I CA -0.574 60.813 61.300 0.145 0.000 1.135 335 I CB 1.949 40.019 38.000 0.117 0.000 1.288 335 I HN 0.698 nan 8.210 nan 0.000 0.448 336 Q N 6.103 125.999 119.800 0.161 0.000 2.314 336 Q HA 0.437 4.773 4.340 -0.008 0.000 0.259 336 Q C -1.393 174.624 176.000 0.029 0.000 0.951 336 Q CA -0.505 55.431 55.803 0.221 0.000 0.909 336 Q CB 1.227 30.221 28.738 0.426 0.000 1.236 336 Q HN 0.423 nan 8.270 nan 0.000 0.444 337 L N 4.247 125.526 121.223 0.093 0.000 2.261 337 L HA 0.314 4.650 4.340 -0.008 0.000 0.289 337 L C -0.173 176.736 176.870 0.065 0.000 1.059 337 L CA -0.178 54.705 54.840 0.071 0.000 0.816 337 L CB 0.444 42.597 42.059 0.157 0.000 1.191 337 L HN 0.605 nan 8.230 nan 0.000 0.431 338 N N 4.412 123.061 118.700 -0.084 0.000 2.508 338 N HA 0.098 4.833 4.740 -0.008 0.000 0.253 338 N C 0.020 175.543 175.510 0.021 0.000 1.145 338 N CA 0.530 53.576 53.050 -0.007 0.000 0.973 338 N CB -0.110 38.271 38.487 -0.176 0.000 1.305 338 N HN 0.598 nan 8.380 nan 0.000 0.506 339 D N -0.069 120.462 120.400 0.217 0.000 4.199 339 D HA -0.227 4.409 4.640 -0.008 0.000 0.291 339 D C 0.314 176.735 176.300 0.202 0.000 2.213 339 D CA 1.517 55.643 54.000 0.210 0.000 1.174 339 D CB -0.632 40.025 40.800 -0.238 0.000 1.012 339 D HN 0.484 nan 8.370 nan 0.000 1.213 340 T N -2.421 112.194 114.554 0.102 0.000 3.100 340 T HA 0.089 4.435 4.350 -0.008 0.000 0.253 340 T C 1.686 176.476 174.700 0.151 0.000 1.118 340 T CA 1.545 63.676 62.100 0.052 0.000 1.058 340 T CB -0.533 68.327 68.868 -0.014 0.000 0.953 340 T HN 0.508 nan 8.240 nan 0.000 0.515 341 H N 2.685 121.843 119.070 0.146 0.000 2.357 341 H HA -0.033 4.519 4.556 -0.008 0.000 0.296 341 H C -0.818 174.602 175.328 0.154 0.000 1.108 341 H CA 1.201 57.351 56.048 0.170 0.000 1.273 341 H CB -0.763 29.098 29.762 0.164 0.000 1.367 341 H HN 0.454 nan 8.280 nan 0.000 0.498 342 P HA 0.098 nan 4.420 nan 0.000 0.274 342 P C 0.640 177.990 177.300 0.083 0.000 1.673 342 P CA 0.338 63.523 63.100 0.142 0.000 1.193 342 P CB 0.509 32.283 31.700 0.123 0.000 1.571 343 S N -0.191 115.553 115.700 0.073 0.000 2.442 343 S HA -0.109 4.356 4.470 -0.008 0.000 0.236 343 S C 1.765 176.371 174.600 0.010 0.000 1.007 343 S CA 0.698 58.901 58.200 0.005 0.000 0.965 343 S CB -1.400 61.777 63.200 -0.040 0.000 0.773 343 S HN 0.148 nan 8.310 nan 0.000 0.504 344 L N 0.939 122.183 121.223 0.035 0.000 2.549 344 L HA 0.049 4.384 4.340 -0.008 0.000 0.229 344 L C 2.874 179.781 176.870 0.061 0.000 1.158 344 L CA 0.589 55.452 54.840 0.038 0.000 0.842 344 L CB -0.711 41.370 42.059 0.038 0.000 0.952 344 L HN 0.472 nan 8.230 nan 0.000 0.452 345 A N 0.532 123.368 122.820 0.028 0.000 1.972 345 A HA -0.179 4.136 4.320 -0.008 0.000 0.219 345 A C 2.187 179.770 177.584 -0.002 0.000 1.169 345 A CA 1.378 53.416 52.037 0.002 0.000 0.635 345 A CB -0.432 18.562 19.000 -0.010 0.000 0.810 345 A HN 0.374 nan 8.150 nan 0.000 0.446 346 I N 0.308 120.878 120.570 0.001 0.000 2.113 346 I HA -0.151 4.014 4.170 -0.008 0.000 0.238 346 I C -0.333 175.799 176.117 0.025 0.000 1.070 346 I CA 1.585 62.882 61.300 -0.005 0.000 1.332 346 I CB -1.060 36.941 38.000 0.002 0.000 1.044 346 I HN 0.264 nan 8.210 nan 0.000 0.402 347 P HA -0.144 nan 4.420 nan 0.000 0.225 347 P C 1.240 178.557 177.300 0.027 0.000 1.156 347 P CA 1.394 64.526 63.100 0.052 0.000 0.787 347 P CB 0.080 31.830 31.700 0.083 0.000 0.802 348 E N 0.391 120.672 120.200 0.136 0.000 2.107 348 E HA -0.133 4.213 4.350 -0.008 0.000 0.191 348 E C 1.925 178.507 176.600 -0.031 0.000 0.982 348 E CA 0.589 57.086 56.400 0.161 0.000 0.809 348 E CB -1.175 28.672 29.700 0.245 0.000 0.756 348 E HN -0.013 nan 8.360 nan 0.000 0.459 349 L N -0.009 121.165 121.223 -0.081 0.000 2.046 349 L HA -0.078 4.258 4.340 -0.008 0.000 0.208 349 L C 2.054 178.773 176.870 -0.252 0.000 1.077 349 L CA 1.697 56.426 54.840 -0.185 0.000 0.747 349 L CB -0.521 41.428 42.059 -0.182 0.000 0.896 349 L HN 0.233 nan 8.230 nan 0.000 0.432 350 M N -0.813 118.656 119.600 -0.218 0.000 2.086 350 M HA -0.201 4.274 4.480 -0.008 0.000 0.261 350 M C 2.431 178.555 176.300 -0.293 0.000 1.067 350 M CA 1.538 56.654 55.300 -0.308 0.000 1.116 350 M CB -1.185 31.219 32.600 -0.326 0.000 1.348 350 M HN 0.322 nan 8.290 nan 0.000 0.407 351 R N 0.068 120.424 120.500 -0.240 0.000 2.096 351 R HA -0.147 4.189 4.340 -0.008 0.000 0.240 351 R C 2.065 178.256 176.300 -0.181 0.000 1.139 351 R CA 1.800 57.763 56.100 -0.228 0.000 0.952 351 R CB -0.235 29.876 30.300 -0.314 0.000 0.854 351 R HN 0.203 nan 8.270 nan 0.000 0.436 352 V N 1.435 121.240 119.914 -0.181 0.000 2.261 352 V HA -0.261 3.854 4.120 -0.008 0.000 0.246 352 V C 2.431 178.360 176.094 -0.274 0.000 1.047 352 V CA 1.843 64.031 62.300 -0.187 0.000 1.015 352 V CB -0.432 31.276 31.823 -0.192 0.000 0.642 352 V HN 0.348 nan 8.190 nan 0.000 0.446 353 L N -0.590 120.401 121.223 -0.388 0.000 2.046 353 L HA -0.143 4.192 4.340 -0.008 0.000 0.208 353 L C 2.396 179.079 176.870 -0.312 0.000 1.077 353 L CA 1.168 55.713 54.840 -0.490 0.000 0.747 353 L CB -0.684 41.034 42.059 -0.569 0.000 0.896 353 L HN 0.211 nan 8.230 nan 0.000 0.432 354 V N -0.475 119.293 119.914 -0.244 0.000 2.273 354 V HA -0.191 3.925 4.120 -0.008 0.000 0.242 354 V C 2.035 178.084 176.094 -0.076 0.000 1.035 354 V CA 1.747 63.966 62.300 -0.135 0.000 1.013 354 V CB -0.389 31.373 31.823 -0.102 0.000 0.652 354 V HN 0.343 nan 8.190 nan 0.000 0.452 355 D N 0.134 120.486 120.400 -0.079 0.000 2.123 355 D HA -0.051 4.584 4.640 -0.008 0.000 0.200 355 D C 2.075 178.350 176.300 -0.042 0.000 0.976 355 D CA 1.282 55.255 54.000 -0.045 0.000 0.831 355 D CB -0.076 40.696 40.800 -0.047 0.000 0.974 355 D HN 0.323 nan 8.370 nan 0.000 0.469 356 L N 0.258 121.441 121.223 -0.066 0.000 2.200 356 L HA 0.077 4.413 4.340 -0.008 0.000 0.200 356 L C 1.923 178.768 176.870 -0.041 0.000 1.072 356 L CA 0.624 55.436 54.840 -0.046 0.000 0.787 356 L CB -0.100 41.931 42.059 -0.047 0.000 0.957 356 L HN -0.163 nan 8.230 nan 0.000 0.459 357 E N 0.676 120.819 120.200 -0.094 0.000 2.442 357 E HA 0.022 4.367 4.350 -0.008 0.000 0.195 357 E C 0.178 176.757 176.600 -0.036 0.000 1.030 357 E CA -0.015 56.347 56.400 -0.064 0.000 0.869 357 E CB 0.247 29.812 29.700 -0.225 0.000 0.857 357 E HN 0.273 nan 8.360 nan 0.000 0.505 358 R N -0.039 120.429 120.500 -0.052 0.000 3.651 358 R HA -0.194 4.142 4.340 -0.008 0.000 0.292 358 R C -0.397 175.893 176.300 -0.016 0.000 1.161 358 R CA 0.242 56.331 56.100 -0.019 0.000 0.787 358 R CB -2.536 27.771 30.300 0.011 0.000 1.249 358 R HN 0.039 nan 8.270 nan 0.000 0.476 359 L N 2.078 123.263 121.223 -0.063 0.000 2.439 359 L HA 0.145 4.480 4.340 -0.008 0.000 0.261 359 L C 1.326 178.189 176.870 -0.013 0.000 1.153 359 L CA 0.180 54.993 54.840 -0.045 0.000 0.808 359 L CB 0.397 42.384 42.059 -0.119 0.000 1.126 359 L HN 0.121 nan 8.230 nan 0.000 0.460 360 D N 0.495 120.912 120.400 0.028 0.000 2.362 360 D HA -0.127 4.508 4.640 -0.008 0.000 0.242 360 D C 0.953 177.315 176.300 0.103 0.000 1.132 360 D CA -0.525 53.524 54.000 0.082 0.000 0.907 360 D CB 0.722 41.578 40.800 0.092 0.000 1.195 360 D HN 0.601 nan 8.370 nan 0.000 0.429 361 W N 2.145 123.446 121.300 0.002 0.000 2.301 361 W HA -0.247 4.408 4.660 -0.008 0.000 0.325 361 W C 1.175 177.735 176.519 0.067 0.000 1.250 361 W CA 2.015 59.368 57.345 0.012 0.000 1.261 361 W CB -0.352 29.096 29.460 -0.021 0.000 1.157 361 W HN 0.490 nan 8.180 nan 0.000 0.473 362 D N 0.145 120.752 120.400 0.344 0.000 2.149 362 D HA -0.208 4.428 4.640 -0.008 0.000 0.198 362 D C 2.055 178.455 176.300 0.166 0.000 0.990 362 D CA 1.418 55.589 54.000 0.285 0.000 0.839 362 D CB -0.406 40.532 40.800 0.230 0.000 0.948 362 D HN 0.105 nan 8.370 nan 0.000 0.460 363 K N 0.983 121.437 120.400 0.091 0.000 2.025 363 K HA -0.012 4.304 4.320 -0.008 0.000 0.207 363 K C 2.027 178.614 176.600 -0.023 0.000 1.049 363 K CA 0.941 57.254 56.287 0.043 0.000 0.933 363 K CB -0.343 32.179 32.500 0.035 0.000 0.714 363 K HN 0.024 nan 8.250 nan 0.000 0.438 364 A N 0.991 123.752 122.820 -0.098 0.000 1.883 364 A HA -0.208 4.108 4.320 -0.008 0.000 0.217 364 A C 2.151 179.629 177.584 -0.177 0.000 1.186 364 A CA 1.468 53.373 52.037 -0.220 0.000 0.624 364 A CB -1.152 17.643 19.000 -0.342 0.000 0.822 364 A HN 0.668 nan 8.150 nan 0.000 0.444 365 W N 0.624 121.703 121.300 -0.369 0.000 2.363 365 W HA -0.170 4.486 4.660 -0.007 0.000 0.296 365 W C 1.983 178.438 176.519 -0.107 0.000 1.212 365 W CA 1.828 59.014 57.345 -0.265 0.000 1.260 365 W CB -0.071 29.286 29.460 -0.173 0.000 1.131 365 W HN 0.608 nan 8.180 nan 0.000 0.530 366 E N 0.059 120.243 120.200 -0.028 0.000 2.051 366 E HA -0.217 4.129 4.350 -0.008 0.000 0.192 366 E C 2.056 178.571 176.600 -0.141 0.000 0.991 366 E CA 1.830 58.180 56.400 -0.083 0.000 0.799 366 E CB -0.284 29.426 29.700 0.016 0.000 0.748 366 E HN 0.067 nan 8.360 nan 0.000 0.449 367 V N 0.742 120.586 119.914 -0.116 0.000 2.295 367 V HA -0.262 3.853 4.120 -0.008 0.000 0.246 367 V C 2.416 178.431 176.094 -0.132 0.000 1.049 367 V CA 2.198 64.445 62.300 -0.089 0.000 1.024 367 V CB -0.815 30.937 31.823 -0.119 0.000 0.648 367 V HN 0.363 nan 8.190 nan 0.000 0.447 368 T N 0.088 114.492 114.554 -0.250 0.000 2.684 368 T HA -0.182 4.163 4.350 -0.008 0.000 0.267 368 T C 1.950 176.462 174.700 -0.314 0.000 1.036 368 T CA 1.795 63.724 62.100 -0.285 0.000 1.148 368 T CB -0.296 68.350 68.868 -0.369 0.000 0.863 368 T HN 0.276 nan 8.240 nan 0.000 0.436 369 V N 1.408 121.017 119.914 -0.508 0.000 2.343 369 V HA -0.170 3.946 4.120 -0.008 0.000 0.247 369 V C 2.334 178.374 176.094 -0.089 0.000 1.051 369 V CA 1.631 63.694 62.300 -0.394 0.000 1.036 369 V CB -0.488 31.031 31.823 -0.506 0.000 0.654 369 V HN 0.471 nan 8.190 nan 0.000 0.451 370 K N -0.541 119.787 120.400 -0.120 0.000 2.362 370 K HA -0.076 4.240 4.320 -0.008 0.000 0.200 370 K C 2.030 178.581 176.600 -0.082 0.000 1.046 370 K CA 1.435 57.631 56.287 -0.152 0.000 0.952 370 K CB -0.153 32.266 32.500 -0.135 0.000 0.753 370 K HN 0.468 nan 8.250 nan 0.000 0.466 371 T N 0.063 114.640 114.554 0.038 0.000 3.010 371 T HA 0.041 4.387 4.350 -0.008 0.000 0.252 371 T C 0.829 175.641 174.700 0.186 0.000 1.047 371 T CA 0.299 62.466 62.100 0.112 0.000 1.140 371 T CB 0.166 69.142 68.868 0.180 0.000 0.885 371 T HN 0.161 nan 8.240 nan 0.000 0.464 372 C N 2.538 121.929 119.300 0.153 0.000 2.401 372 C HA 0.882 5.337 4.460 -0.008 0.000 0.365 372 C C 0.559 175.621 174.990 0.120 0.000 1.250 372 C CA -1.286 57.809 59.018 0.128 0.000 2.131 372 C CB 0.035 27.787 27.740 0.020 0.000 2.445 372 C HN 0.574 nan 8.230 nan 0.000 0.550 373 A N 2.205 125.091 122.820 0.109 0.000 2.449 373 A HA 0.740 5.055 4.320 -0.008 0.000 0.302 373 A C -1.464 176.203 177.584 0.139 0.000 1.048 373 A CA -0.411 51.634 52.037 0.013 0.000 0.708 373 A CB 0.970 20.005 19.000 0.058 0.000 1.274 373 A HN 0.943 nan 8.150 nan 0.000 0.410 374 Y N 1.301 121.560 120.300 -0.068 0.000 2.364 374 Y HA 0.647 5.193 4.550 -0.007 0.000 0.340 374 Y C -0.468 175.430 175.900 -0.004 0.000 0.975 374 Y CA -0.303 57.775 58.100 -0.036 0.000 1.089 374 Y CB 2.024 40.422 38.460 -0.103 0.000 1.192 374 Y HN 0.554 nan 8.280 nan 0.000 0.454 375 T N 6.617 120.952 114.554 -0.365 0.000 2.770 375 T HA 0.181 4.527 4.350 -0.008 0.000 0.283 375 T C -0.795 173.442 174.700 -0.773 0.000 0.988 375 T CA -0.811 61.012 62.100 -0.461 0.000 0.957 375 T CB 0.376 69.218 68.868 -0.044 0.000 0.930 375 T HN 0.657 nan 8.240 nan 0.000 0.443 376 N N 1.945 120.189 118.700 -0.759 0.000 2.479 376 N HA 0.115 4.851 4.740 -0.008 0.000 0.285 376 N C -0.001 175.394 175.510 -0.192 0.000 1.075 376 N CA -0.296 52.548 53.050 -0.344 0.000 0.967 376 N CB 0.743 39.208 38.487 -0.036 0.000 1.137 376 N HN 0.668 nan 8.380 nan 0.000 0.472 377 H N 1.239 120.341 119.070 0.053 0.000 2.784 377 H HA 0.184 4.735 4.556 -0.008 0.000 0.273 377 H C -0.223 175.027 175.328 -0.130 0.000 1.112 377 H CA -0.057 55.973 56.048 -0.031 0.000 1.162 377 H CB 1.005 30.752 29.762 -0.025 0.000 1.586 377 H HN 0.554 nan 8.280 nan 0.000 0.548 378 T N 0.008 114.583 114.554 0.034 0.000 2.831 378 T HA 0.179 4.524 4.350 -0.008 0.000 0.333 378 T C 0.190 174.910 174.700 0.032 0.000 1.684 378 T CA -0.257 61.811 62.100 -0.054 0.000 1.049 378 T CB 1.011 69.847 68.868 -0.055 0.000 1.518 378 T HN -0.043 nan 8.240 nan 0.000 0.491 379 V N 1.508 121.400 119.914 -0.037 0.000 3.477 379 V HA 0.512 4.628 4.120 -0.008 0.000 0.297 379 V C 0.894 176.946 176.094 -0.069 0.000 1.433 379 V CA 0.171 62.440 62.300 -0.053 0.000 1.052 379 V CB -0.595 31.196 31.823 -0.054 0.000 0.895 379 V HN 0.822 nan 8.190 nan 0.000 0.438 380 I N -0.126 120.389 120.570 -0.091 0.000 2.517 380 I HA 0.319 4.484 4.170 -0.008 0.000 0.285 380 I C -0.526 175.579 176.117 -0.019 0.000 1.106 380 I CA -1.522 59.745 61.300 -0.056 0.000 1.402 380 I CB 0.671 38.615 38.000 -0.093 0.000 1.399 380 I HN -0.038 nan 8.210 nan 0.000 0.535 381 P HA -0.268 nan 4.420 nan 0.000 0.217 381 P C 1.074 178.368 177.300 -0.009 0.000 1.151 381 P CA 1.725 64.821 63.100 -0.006 0.000 0.849 381 P CB -0.089 31.614 31.700 0.004 0.000 0.787 382 E N 0.264 120.482 120.200 0.031 0.000 2.409 382 E HA -0.064 4.281 4.350 -0.008 0.000 0.198 382 E C 1.701 178.258 176.600 -0.071 0.000 1.024 382 E CA 1.178 57.582 56.400 0.007 0.000 0.861 382 E CB -0.750 29.060 29.700 0.184 0.000 0.788 382 E HN 0.242 nan 8.360 nan 0.000 0.521 383 A N 1.086 123.905 122.820 -0.002 0.000 2.195 383 A HA 0.187 4.503 4.320 -0.008 0.000 0.210 383 A C 1.177 178.743 177.584 -0.030 0.000 1.165 383 A CA -0.317 51.734 52.037 0.023 0.000 0.806 383 A CB 0.106 19.146 19.000 0.066 0.000 0.847 383 A HN 0.138 nan 8.150 nan 0.000 0.482 384 L N 1.976 123.143 121.223 -0.093 0.000 2.462 384 L HA 0.104 4.439 4.340 -0.008 0.000 0.272 384 L C -0.073 176.490 176.870 -0.511 0.000 1.166 384 L CA 0.557 55.286 54.840 -0.183 0.000 0.880 384 L CB 0.172 42.154 42.059 -0.128 0.000 1.142 384 L HN 0.418 nan 8.230 nan 0.000 0.473 385 E N 5.431 125.228 120.200 -0.672 0.000 2.217 385 E HA 0.184 4.529 4.350 -0.008 0.000 0.279 385 E C -0.440 175.531 176.600 -1.048 0.000 1.068 385 E CA -0.169 55.374 56.400 -1.429 0.000 0.882 385 E CB 0.703 29.879 29.700 -0.873 0.000 1.039 385 E HN 0.372 nan 8.360 nan 0.000 0.418 386 R N 3.927 123.692 120.500 -1.225 0.000 2.467 386 R HA 0.198 4.534 4.340 -0.008 0.000 0.299 386 R C -1.197 174.922 176.300 -0.303 0.000 1.120 386 R CA -0.593 55.213 56.100 -0.489 0.000 0.940 386 R CB 0.912 31.059 30.300 -0.254 0.000 1.161 386 R HN 0.440 nan 8.270 nan 0.000 0.506 387 W N 4.237 125.483 121.300 -0.090 0.000 2.316 387 W HA 0.291 4.947 4.660 -0.008 0.000 0.311 387 W C -1.956 174.535 176.519 -0.047 0.000 1.217 387 W CA -2.140 55.217 57.345 0.020 0.000 1.199 387 W CB 0.810 30.260 29.460 -0.017 0.000 1.202 387 W HN 0.246 nan 8.180 nan 0.000 0.528 388 P HA -0.071 nan 4.420 nan 0.000 0.267 388 P C 0.785 178.004 177.300 -0.134 0.000 1.205 388 P CA 0.186 63.244 63.100 -0.070 0.000 0.765 388 P CB 0.819 32.317 31.700 -0.337 0.000 0.828 389 V N 3.413 123.300 119.914 -0.045 0.000 2.392 389 V HA -0.291 3.824 4.120 -0.008 0.000 0.249 389 V C 2.111 178.201 176.094 -0.006 0.000 1.059 389 V CA 2.530 64.830 62.300 -0.000 0.000 1.051 389 V CB -1.712 30.177 31.823 0.109 0.000 0.658 389 V HN 0.763 nan 8.190 nan 0.000 0.455 390 H N -0.951 118.179 119.070 0.100 0.000 2.457 390 H HA -0.122 4.429 4.556 -0.008 0.000 0.297 390 H C 2.002 177.381 175.328 0.084 0.000 1.092 390 H CA 1.750 57.853 56.048 0.090 0.000 1.309 390 H CB -0.603 29.212 29.762 0.090 0.000 1.382 390 H HN 0.373 nan 8.280 nan 0.000 0.535 391 L N -0.126 120.984 121.223 -0.188 0.000 2.044 391 L HA -0.059 4.276 4.340 -0.008 0.000 0.205 391 L C 2.354 179.191 176.870 -0.056 0.000 1.075 391 L CA 0.915 55.734 54.840 -0.035 0.000 0.747 391 L CB -0.205 41.816 42.059 -0.063 0.000 0.903 391 L HN 0.316 nan 8.230 nan 0.000 0.435 392 L N -0.602 120.555 121.223 -0.109 0.000 2.141 392 L HA -0.232 4.104 4.340 -0.008 0.000 0.209 392 L C 2.466 179.278 176.870 -0.097 0.000 1.094 392 L CA 1.076 55.822 54.840 -0.157 0.000 0.763 392 L CB -0.430 41.523 42.059 -0.177 0.000 0.908 392 L HN 0.330 nan 8.230 nan 0.000 0.437 393 E N -0.317 119.871 120.200 -0.020 0.000 2.058 393 E HA -0.214 4.131 4.350 -0.008 0.000 0.194 393 E C 1.945 178.586 176.600 0.069 0.000 0.997 393 E CA 1.950 58.371 56.400 0.035 0.000 0.801 393 E CB 0.139 29.900 29.700 0.101 0.000 0.746 393 E HN 0.432 nan 8.360 nan 0.000 0.450 394 T N 0.769 115.389 114.554 0.109 0.000 2.852 394 T HA -0.079 4.267 4.350 -0.008 0.000 0.256 394 T C 1.740 176.558 174.700 0.196 0.000 1.038 394 T CA 0.637 62.851 62.100 0.190 0.000 1.141 394 T CB -0.147 68.866 68.868 0.242 0.000 0.869 394 T HN 0.054 nan 8.240 nan 0.000 0.439 395 L N 0.189 121.432 121.223 0.032 0.000 2.095 395 L HA 0.297 4.633 4.340 -0.008 0.000 0.204 395 L C 0.410 177.213 176.870 -0.111 0.000 1.080 395 L CA 1.667 56.408 54.840 -0.164 0.000 0.759 395 L CB -0.065 41.867 42.059 -0.210 0.000 0.914 395 L HN 0.189 nan 8.230 nan 0.000 0.439 396 L N 0.661 121.776 121.223 -0.180 0.000 2.551 396 L HA 0.286 4.622 4.340 -0.008 0.000 0.248 396 L C -1.657 175.026 176.870 -0.313 0.000 1.509 396 L CA -1.019 53.622 54.840 -0.332 0.000 0.842 396 L CB 0.927 42.627 42.059 -0.598 0.000 1.087 396 L HN -0.050 nan 8.230 nan 0.000 0.512 397 P HA -0.234 nan 4.420 nan 0.000 0.216 397 P C 1.481 178.584 177.300 -0.329 0.000 1.153 397 P CA 1.339 64.315 63.100 -0.207 0.000 0.858 397 P CB 0.388 32.041 31.700 -0.078 0.000 0.789 398 R N -0.297 119.818 120.500 -0.643 0.000 2.075 398 R HA -0.154 4.181 4.340 -0.008 0.000 0.232 398 R C 2.391 178.389 176.300 -0.503 0.000 1.126 398 R CA 1.625 57.364 56.100 -0.601 0.000 0.963 398 R CB -1.437 28.338 30.300 -0.876 0.000 0.858 398 R HN 0.234 nan 8.270 nan 0.000 0.435 399 H N -0.238 118.513 119.070 -0.532 0.000 2.421 399 H HA -0.058 4.493 4.556 -0.008 0.000 0.298 399 H C 1.759 176.912 175.328 -0.290 0.000 1.087 399 H CA 1.553 57.378 56.048 -0.373 0.000 1.330 399 H CB -0.069 29.435 29.762 -0.429 0.000 1.388 399 H HN 0.117 nan 8.280 nan 0.000 0.526 400 L N 0.510 121.609 121.223 -0.206 0.000 2.093 400 L HA -0.209 4.126 4.340 -0.008 0.000 0.208 400 L C 1.725 178.415 176.870 -0.301 0.000 1.085 400 L CA 1.526 56.183 54.840 -0.304 0.000 0.755 400 L CB -0.248 41.657 42.059 -0.258 0.000 0.904 400 L HN 0.452 nan 8.230 nan 0.000 0.435 401 Q N -0.230 119.502 119.800 -0.113 0.000 2.079 401 Q HA -0.218 4.117 4.340 -0.008 0.000 0.200 401 Q C 2.182 178.206 176.000 0.040 0.000 0.974 401 Q CA 1.538 57.367 55.803 0.044 0.000 0.840 401 Q CB -0.079 28.685 28.738 0.043 0.000 0.898 401 Q HN 0.546 nan 8.270 nan 0.000 0.430 402 I N 0.670 121.241 120.570 0.001 0.000 2.286 402 I HA -0.275 3.890 4.170 -0.008 0.000 0.248 402 I C 2.205 178.395 176.117 0.121 0.000 1.115 402 I CA 1.112 62.494 61.300 0.137 0.000 1.392 402 I CB -0.206 37.821 38.000 0.045 0.000 1.065 402 I HN 0.206 nan 8.210 nan 0.000 0.418 403 I N -0.525 120.031 120.570 -0.023 0.000 2.315 403 I HA -0.299 3.866 4.170 -0.008 0.000 0.248 403 I C 2.394 178.506 176.117 -0.008 0.000 1.117 403 I CA 1.359 62.627 61.300 -0.053 0.000 1.404 403 I CB -0.350 37.546 38.000 -0.173 0.000 1.071 403 I HN 0.151 nan 8.210 nan 0.000 0.419 404 Y N 0.869 121.169 120.300 0.000 0.000 2.200 404 Y HA -0.249 4.297 4.550 -0.008 0.000 0.290 404 Y C 2.598 178.458 175.900 -0.067 0.000 1.137 404 Y CA 1.410 59.497 58.100 -0.022 0.000 1.163 404 Y CB -0.718 37.722 38.460 -0.033 0.000 0.988 404 Y HN 0.159 nan 8.280 nan 0.000 0.518 405 E N 0.511 120.741 120.200 0.050 0.000 2.077 405 E HA -0.156 4.189 4.350 -0.008 0.000 0.193 405 E C 2.044 178.534 176.600 -0.183 0.000 0.989 405 E CA 1.386 57.666 56.400 -0.200 0.000 0.800 405 E CB -0.560 28.858 29.700 -0.470 0.000 0.746 405 E HN 0.486 nan 8.360 nan 0.000 0.452 406 I N 0.528 121.094 120.570 -0.006 0.000 2.179 406 I HA -0.269 3.896 4.170 -0.008 0.000 0.242 406 I C 2.279 178.389 176.117 -0.012 0.000 1.088 406 I CA 1.355 62.612 61.300 -0.072 0.000 1.357 406 I CB -0.400 37.568 38.000 -0.054 0.000 1.051 406 I HN 0.207 nan 8.210 nan 0.000 0.409 407 N N 0.790 119.534 118.700 0.074 0.000 2.104 407 N HA -0.271 4.464 4.740 -0.008 0.000 0.190 407 N C 1.856 177.454 175.510 0.146 0.000 1.024 407 N CA 1.622 54.774 53.050 0.170 0.000 0.853 407 N CB -0.130 38.473 38.487 0.192 0.000 1.008 407 N HN 0.285 nan 8.380 nan 0.000 0.424 408 Q N -0.065 119.763 119.800 0.047 0.000 2.002 408 Q HA -0.125 4.211 4.340 -0.008 0.000 0.204 408 Q C 2.055 178.034 176.000 -0.035 0.000 0.988 408 Q CA 1.690 57.482 55.803 -0.018 0.000 0.843 408 Q CB -0.014 28.669 28.738 -0.091 0.000 0.908 408 Q HN 0.399 nan 8.270 nan 0.000 0.420 409 R N -0.729 119.722 120.500 -0.081 0.000 2.115 409 R HA -0.134 4.201 4.340 -0.008 0.000 0.230 409 R C 2.182 178.503 176.300 0.036 0.000 1.111 409 R CA 1.167 57.220 56.100 -0.079 0.000 0.976 409 R CB -0.386 29.809 30.300 -0.175 0.000 0.870 409 R HN 0.284 nan 8.270 nan 0.000 0.445 410 F N 1.683 121.601 119.950 -0.053 0.000 2.113 410 F HA -0.083 4.439 4.527 -0.008 0.000 0.297 410 F C 1.880 177.703 175.800 0.038 0.000 1.103 410 F CA 1.276 59.297 58.000 0.034 0.000 1.248 410 F CB -0.253 38.799 39.000 0.087 0.000 0.999 410 F HN -0.135 nan 8.300 nan 0.000 0.475 411 L N 0.005 121.205 121.223 -0.038 0.000 2.201 411 L HA -0.223 4.112 4.340 -0.008 0.000 0.212 411 L C 1.966 178.752 176.870 -0.140 0.000 1.105 411 L CA 1.440 56.194 54.840 -0.144 0.000 0.775 411 L CB -0.885 41.167 42.059 -0.012 0.000 0.913 411 L HN 0.258 nan 8.230 nan 0.000 0.440 412 N N -0.215 118.429 118.700 -0.094 0.000 2.244 412 N HA -0.139 4.596 4.740 -0.008 0.000 0.183 412 N C 1.906 177.356 175.510 -0.099 0.000 1.016 412 N CA 0.644 53.645 53.050 -0.082 0.000 0.866 412 N CB 0.058 38.507 38.487 -0.065 0.000 0.980 412 N HN 0.305 nan 8.380 nan 0.000 0.430 413 R N 0.437 120.860 120.500 -0.129 0.000 2.073 413 R HA -0.008 4.328 4.340 -0.008 0.000 0.229 413 R C 2.164 178.357 176.300 -0.178 0.000 1.120 413 R CA 0.715 56.738 56.100 -0.127 0.000 0.967 413 R CB -0.238 30.007 30.300 -0.092 0.000 0.862 413 R HN 0.066 nan 8.270 nan 0.000 0.436 414 V N 1.117 120.871 119.914 -0.267 0.000 2.295 414 V HA -0.240 3.876 4.120 -0.008 0.000 0.246 414 V C 2.460 178.533 176.094 -0.035 0.000 1.049 414 V CA 2.008 64.214 62.300 -0.158 0.000 1.024 414 V CB -0.750 30.915 31.823 -0.263 0.000 0.648 414 V HN 0.392 nan 8.190 nan 0.000 0.447 415 A N 0.006 122.784 122.820 -0.071 0.000 1.940 415 A HA -0.155 4.160 4.320 -0.008 0.000 0.219 415 A C 2.344 179.897 177.584 -0.052 0.000 1.176 415 A CA 2.232 54.246 52.037 -0.037 0.000 0.631 415 A CB -0.698 18.273 19.000 -0.048 0.000 0.814 415 A HN 0.604 nan 8.150 nan 0.000 0.446 416 A N -0.880 121.888 122.820 -0.087 0.000 2.016 416 A HA 0.372 4.687 4.320 -0.008 0.000 0.217 416 A C 2.291 179.773 177.584 -0.170 0.000 1.162 416 A CA 1.543 53.518 52.037 -0.103 0.000 0.662 416 A CB -0.549 18.397 19.000 -0.090 0.000 0.812 416 A HN 0.948 nan 8.150 nan 0.000 0.450 417 A N -1.607 121.055 122.820 -0.264 0.000 2.030 417 A HA 0.432 4.748 4.320 -0.008 0.000 0.215 417 A C 0.326 177.411 177.584 -0.831 0.000 1.164 417 A CA 0.448 52.142 52.037 -0.572 0.000 0.697 417 A CB -0.065 18.492 19.000 -0.739 0.000 0.827 417 A HN 0.398 nan 8.150 nan 0.000 0.457 418 F N -0.059 119.843 119.950 -0.080 0.000 2.622 418 F HA 0.349 4.871 4.527 -0.008 0.000 0.338 418 F C -2.826 172.935 175.800 -0.065 0.000 1.334 418 F CA -2.957 55.000 58.000 -0.072 0.000 1.179 418 F CB 0.693 39.642 39.000 -0.086 0.000 1.471 418 F HN -0.085 nan 8.300 nan 0.000 0.576 419 P HA 0.155 nan 4.420 nan 0.000 0.262 419 P C 1.033 178.351 177.300 0.031 0.000 1.182 419 P CA 1.212 64.322 63.100 0.016 0.000 0.761 419 P CB 0.752 32.445 31.700 -0.012 0.000 0.795 420 G N 2.743 111.554 108.800 0.017 0.000 2.245 420 G HA2 -0.264 3.691 3.960 -0.008 0.000 0.264 420 G HA3 -0.264 3.691 3.960 -0.008 0.000 0.264 420 G C 0.415 175.323 174.900 0.012 0.000 0.985 420 G CA 0.116 45.223 45.100 0.011 0.000 0.625 420 G HN 0.609 nan 8.290 nan 0.000 0.536 421 D N 1.489 121.905 120.400 0.027 0.000 2.545 421 D HA 0.360 4.996 4.640 -0.008 0.000 0.227 421 D C 2.131 178.420 176.300 -0.019 0.000 1.150 421 D CA 0.439 54.439 54.000 -0.000 0.000 1.046 421 D CB 0.290 41.086 40.800 -0.006 0.000 1.098 421 D HN 0.613 nan 8.370 nan 0.000 0.502 422 V N 0.722 120.626 119.914 -0.016 0.000 2.490 422 V HA -0.174 3.942 4.120 -0.008 0.000 0.250 422 V C 1.816 177.896 176.094 -0.023 0.000 1.061 422 V CA 1.655 63.945 62.300 -0.017 0.000 1.064 422 V CB -0.504 31.313 31.823 -0.011 0.000 0.670 422 V HN 0.225 nan 8.190 nan 0.000 0.461 423 D N 0.356 120.738 120.400 -0.030 0.000 2.178 423 D HA -0.166 4.470 4.640 -0.008 0.000 0.202 423 D C 2.338 178.609 176.300 -0.049 0.000 0.974 423 D CA 1.324 55.307 54.000 -0.029 0.000 0.841 423 D CB -0.221 40.561 40.800 -0.029 0.000 0.953 423 D HN 0.458 nan 8.370 nan 0.000 0.478 424 R N -0.064 120.382 120.500 -0.089 0.000 2.081 424 R HA -0.101 4.234 4.340 -0.008 0.000 0.235 424 R C 2.257 178.488 176.300 -0.115 0.000 1.131 424 R CA 0.927 56.938 56.100 -0.149 0.000 0.960 424 R CB -0.284 29.866 30.300 -0.249 0.000 0.856 424 R HN 0.256 nan 8.270 nan 0.000 0.436 425 L N 0.682 121.861 121.223 -0.073 0.000 2.012 425 L HA -0.222 4.114 4.340 -0.008 0.000 0.210 425 L C 2.695 179.566 176.870 0.001 0.000 1.073 425 L CA 1.959 56.772 54.840 -0.045 0.000 0.748 425 L CB -0.523 41.520 42.059 -0.027 0.000 0.891 425 L HN 0.299 nan 8.230 nan 0.000 0.431 426 R N 0.079 120.586 120.500 0.013 0.000 2.148 426 R HA -0.091 4.244 4.340 -0.008 0.000 0.223 426 R C 2.110 178.460 176.300 0.084 0.000 1.088 426 R CA 0.976 57.106 56.100 0.050 0.000 0.985 426 R CB -0.543 29.780 30.300 0.039 0.000 0.880 426 R HN 0.204 nan 8.270 nan 0.000 0.451 427 R N 0.101 120.632 120.500 0.052 0.000 2.115 427 R HA 0.137 4.472 4.340 -0.008 0.000 0.226 427 R C 1.994 178.383 176.300 0.148 0.000 1.100 427 R CA 1.691 57.849 56.100 0.096 0.000 0.980 427 R CB -0.173 30.143 30.300 0.027 0.000 0.875 427 R HN 0.322 nan 8.270 nan 0.000 0.445 428 M N 0.163 119.770 119.600 0.013 0.000 2.541 428 M HA 0.041 4.516 4.480 -0.008 0.000 0.252 428 M C 0.896 177.373 176.300 0.294 0.000 1.125 428 M CA 0.022 55.289 55.300 -0.054 0.000 1.091 428 M CB 0.393 32.785 32.600 -0.347 0.000 1.420 428 M HN -0.083 nan 8.290 nan 0.000 0.486 429 S N 1.105 116.975 115.700 0.282 0.000 2.558 429 S HA 0.023 4.488 4.470 -0.008 0.000 0.291 429 S C 1.098 175.960 174.600 0.437 0.000 1.306 429 S CA -0.167 58.226 58.200 0.321 0.000 1.056 429 S CB 0.546 63.873 63.200 0.213 0.000 0.836 429 S HN 0.377 nan 8.310 nan 0.000 0.504 430 L N 4.014 125.445 121.223 0.347 0.000 2.395 430 L HA 0.124 4.460 4.340 -0.008 0.000 0.218 430 L C 0.247 177.221 176.870 0.173 0.000 1.130 430 L CA 0.224 55.222 54.840 0.264 0.000 0.826 430 L CB -0.321 41.831 42.059 0.155 0.000 0.941 430 L HN 0.398 nan 8.230 nan 0.000 0.451 431 V N 0.904 120.935 119.914 0.194 0.000 2.350 431 V HA 0.173 4.288 4.120 -0.008 0.000 0.276 431 V C 0.062 176.243 176.094 0.145 0.000 1.028 431 V CA -0.574 61.827 62.300 0.168 0.000 0.860 431 V CB 1.367 33.328 31.823 0.229 0.000 0.990 431 V HN 0.171 nan 8.190 nan 0.000 0.453 432 E N 3.914 124.177 120.200 0.106 0.000 2.174 432 E HA 0.353 4.699 4.350 -0.008 0.000 0.282 432 E C -0.494 176.156 176.600 0.084 0.000 0.992 432 E CA -0.616 55.837 56.400 0.089 0.000 0.803 432 E CB 1.562 31.294 29.700 0.053 0.000 1.090 432 E HN 0.580 nan 8.360 nan 0.000 0.396 433 E N 1.038 121.285 120.200 0.078 0.000 2.312 433 E HA 0.574 4.919 4.350 -0.008 0.000 0.259 433 E C 0.486 177.122 176.600 0.060 0.000 1.122 433 E CA -0.285 56.156 56.400 0.068 0.000 0.922 433 E CB 1.507 31.241 29.700 0.058 0.000 1.109 433 E HN 0.758 nan 8.360 nan 0.000 0.442 434 G N -0.642 108.192 108.800 0.056 0.000 2.278 434 G HA2 0.110 4.066 3.960 -0.008 0.000 0.265 434 G HA3 0.110 4.066 3.960 -0.008 0.000 0.265 434 G C 0.544 175.477 174.900 0.054 0.000 1.329 434 G CA 0.414 45.544 45.100 0.050 0.000 1.017 434 G HN 0.501 nan 8.290 nan 0.000 0.472 435 A N -0.861 121.990 122.820 0.051 0.000 1.873 435 A HA 0.245 4.560 4.320 -0.008 0.000 0.219 435 A C 1.820 179.447 177.584 0.072 0.000 1.269 435 A CA 4.593 56.662 52.037 0.054 0.000 0.671 435 A CB -1.255 17.776 19.000 0.052 0.000 0.842 435 A HN 2.448 nan 8.150 nan 0.000 0.460 436 V N -3.201 116.766 119.914 0.088 0.000 2.656 436 V HA 0.572 4.687 4.120 -0.008 0.000 0.307 436 V C -0.568 175.593 176.094 0.112 0.000 1.051 436 V CA -1.367 61.007 62.300 0.125 0.000 0.893 436 V CB 1.634 33.562 31.823 0.175 0.000 0.999 436 V HN 0.379 nan 8.190 nan 0.000 0.426 437 K N 4.094 124.568 120.400 0.123 0.000 2.382 437 K HA 0.494 4.810 4.320 -0.008 0.000 0.275 437 K C -0.383 176.276 176.600 0.098 0.000 1.009 437 K CA -0.189 56.165 56.287 0.112 0.000 0.970 437 K CB 0.854 33.434 32.500 0.134 0.000 0.934 437 K HN 0.743 nan 8.250 nan 0.000 0.479 438 R N 1.220 121.768 120.500 0.080 0.000 2.836 438 R HA 0.481 4.816 4.340 -0.008 0.000 0.269 438 R C -0.707 175.622 176.300 0.048 0.000 1.010 438 R CA -1.018 55.117 56.100 0.058 0.000 0.930 438 R CB 1.296 31.615 30.300 0.032 0.000 1.218 438 R HN 0.367 nan 8.270 nan 0.000 0.473 439 I N 1.894 122.487 120.570 0.039 0.000 2.339 439 I HA 0.171 4.337 4.170 -0.008 0.000 0.290 439 I C -0.261 175.832 176.117 -0.040 0.000 0.994 439 I CA -0.750 60.559 61.300 0.015 0.000 1.191 439 I CB 1.244 39.251 38.000 0.012 0.000 1.343 439 I HN 0.504 nan 8.210 nan 0.000 0.458 440 N N 7.134 125.781 118.700 -0.088 0.000 2.415 440 N HA 0.095 4.831 4.740 -0.008 0.000 0.246 440 N C 0.833 176.233 175.510 -0.183 0.000 1.078 440 N CA -0.336 52.579 53.050 -0.224 0.000 0.942 440 N CB 0.964 39.169 38.487 -0.471 0.000 1.140 440 N HN 0.375 nan 8.380 nan 0.000 0.501 441 M N 2.423 121.920 119.600 -0.172 0.000 2.229 441 M HA -0.070 4.405 4.480 -0.008 0.000 0.264 441 M C 1.934 178.084 176.300 -0.249 0.000 1.063 441 M CA 0.758 55.973 55.300 -0.142 0.000 1.114 441 M CB -1.555 31.004 32.600 -0.068 0.000 1.387 441 M HN 0.604 nan 8.290 nan 0.000 0.420 442 A N -0.549 122.114 122.820 -0.260 0.000 1.930 442 A HA -0.170 4.146 4.320 -0.008 0.000 0.217 442 A C 1.983 179.315 177.584 -0.420 0.000 1.175 442 A CA 1.448 53.287 52.037 -0.330 0.000 0.627 442 A CB -1.118 17.889 19.000 0.011 0.000 0.815 442 A HN 0.601 nan 8.150 nan 0.000 0.443 443 H N -1.088 117.739 119.070 -0.404 0.000 2.389 443 H HA -0.010 4.541 4.556 -0.008 0.000 0.299 443 H C 2.117 177.189 175.328 -0.426 0.000 1.081 443 H CA 0.889 56.641 56.048 -0.492 0.000 1.345 443 H CB -0.033 29.668 29.762 -0.102 0.000 1.393 443 H HN 0.387 nan 8.280 nan 0.000 0.520 444 L N 0.374 121.495 121.223 -0.170 0.000 2.017 444 L HA -0.227 4.108 4.340 -0.008 0.000 0.208 444 L C 2.197 178.923 176.870 -0.240 0.000 1.073 444 L CA 1.318 56.063 54.840 -0.158 0.000 0.745 444 L CB -0.387 41.609 42.059 -0.105 0.000 0.894 444 L HN 0.436 nan 8.230 nan 0.000 0.432 445 C N 0.014 119.072 119.300 -0.404 0.000 2.425 445 C HA -0.160 4.295 4.460 -0.008 0.000 0.277 445 C C 2.668 177.402 174.990 -0.427 0.000 1.280 445 C CA 0.559 59.268 59.018 -0.515 0.000 1.744 445 C CB -0.746 26.320 27.740 -1.123 0.000 1.989 445 C HN 0.517 nan 8.230 nan 0.000 0.491 446 I N 1.263 121.528 120.570 -0.509 0.000 2.252 446 I HA -0.178 3.987 4.170 -0.008 0.000 0.245 446 I C 2.758 178.711 176.117 -0.274 0.000 1.102 446 I CA 1.568 62.615 61.300 -0.422 0.000 1.385 446 I CB -0.562 37.027 38.000 -0.684 0.000 1.064 446 I HN 0.261 nan 8.210 nan 0.000 0.414 447 A N 0.644 123.269 122.820 -0.325 0.000 1.902 447 A HA -0.096 4.219 4.320 -0.008 0.000 0.217 447 A C 2.205 179.820 177.584 0.051 0.000 1.181 447 A CA 1.854 53.748 52.037 -0.239 0.000 0.623 447 A CB -1.158 17.507 19.000 -0.559 0.000 0.818 447 A HN 0.471 nan 8.150 nan 0.000 0.443 448 G N -1.047 107.732 108.800 -0.035 0.000 3.233 448 G HA2 0.412 4.368 3.960 -0.008 0.000 0.227 448 G HA3 0.412 4.368 3.960 -0.008 0.000 0.227 448 G C 0.096 174.828 174.900 -0.279 0.000 1.175 448 G CA 0.474 45.426 45.100 -0.247 0.000 0.781 448 G HN 0.347 nan 8.290 nan 0.000 0.542 449 S N -0.381 115.212 115.700 -0.179 0.000 2.536 449 S HA 0.334 4.800 4.470 -0.008 0.000 0.298 449 S C 0.680 175.224 174.600 -0.093 0.000 1.083 449 S CA -0.720 57.405 58.200 -0.125 0.000 0.995 449 S CB 1.270 64.405 63.200 -0.109 0.000 1.058 449 S HN 0.508 nan 8.310 nan 0.000 0.488 450 H N -0.196 118.832 119.070 -0.071 0.000 2.548 450 H HA 0.535 5.087 4.556 -0.008 0.000 0.265 450 H C 0.067 175.372 175.328 -0.039 0.000 0.969 450 H CA 0.181 56.211 56.048 -0.030 0.000 1.155 450 H CB 0.136 29.899 29.762 0.000 0.000 1.394 450 H HN 0.511 nan 8.280 nan 0.000 0.570 451 A N 0.902 123.401 122.820 -0.536 0.000 2.517 451 A HA 0.553 4.868 4.320 -0.008 0.000 0.297 451 A C -1.486 175.892 177.584 -0.343 0.000 1.050 451 A CA -0.562 51.212 52.037 -0.439 0.000 0.694 451 A CB 2.121 20.819 19.000 -0.504 0.000 1.277 451 A HN 0.091 nan 8.150 nan 0.000 0.400 452 V N 4.138 123.821 119.914 -0.384 0.000 2.577 452 V HA 0.569 4.684 4.120 -0.008 0.000 0.303 452 V C -0.761 175.166 176.094 -0.278 0.000 1.042 452 V CA -0.754 61.337 62.300 -0.348 0.000 0.872 452 V CB 1.850 33.355 31.823 -0.529 0.000 0.998 452 V HN 1.031 nan 8.190 nan 0.000 0.423 453 N N 2.965 121.513 118.700 -0.253 0.000 2.262 453 N HA 0.620 5.356 4.740 -0.008 0.000 0.295 453 N C -0.286 175.124 175.510 -0.167 0.000 1.161 453 N CA -0.390 52.547 53.050 -0.187 0.000 0.767 453 N CB 2.863 41.206 38.487 -0.239 0.000 1.499 453 N HN 0.643 nan 8.380 nan 0.000 0.476 454 G N -0.862 107.870 108.800 -0.112 0.000 2.531 454 G HA2 0.427 4.382 3.960 -0.008 0.000 0.313 454 G HA3 0.427 4.382 3.960 -0.008 0.000 0.313 454 G C 0.722 175.682 174.900 0.101 0.000 1.238 454 G CA -0.510 44.567 45.100 -0.039 0.000 0.994 454 G HN 0.616 nan 8.290 nan 0.000 0.493 455 V N -3.576 116.525 119.914 0.312 0.000 3.376 455 V HA 0.690 4.805 4.120 -0.008 0.000 0.313 455 V C 0.540 176.716 176.094 0.137 0.000 1.393 455 V CA 0.280 62.667 62.300 0.145 0.000 1.125 455 V CB -0.849 31.011 31.823 0.063 0.000 1.037 455 V HN 1.353 nan 8.190 nan 0.000 0.440 456 A N -0.079 122.830 122.820 0.148 0.000 2.594 456 A HA 0.616 4.931 4.320 -0.008 0.000 0.296 456 A C 0.684 178.315 177.584 0.079 0.000 1.056 456 A CA -0.092 52.010 52.037 0.109 0.000 0.693 456 A CB 1.147 20.203 19.000 0.092 0.000 1.278 456 A HN 0.041 nan 8.150 nan 0.000 0.408 457 R N 1.042 121.568 120.500 0.042 0.000 2.112 457 R HA -0.182 4.154 4.340 -0.008 0.000 0.242 457 R C 1.659 177.953 176.300 -0.010 0.000 1.137 457 R CA 2.386 58.487 56.100 0.003 0.000 0.944 457 R CB -0.244 30.054 30.300 -0.004 0.000 0.857 457 R HN 0.831 nan 8.270 nan 0.000 0.435 458 I N 0.226 120.800 120.570 0.006 0.000 2.286 458 I HA -0.286 3.880 4.170 -0.008 0.000 0.248 458 I C 2.335 178.458 176.117 0.009 0.000 1.115 458 I CA 1.808 63.104 61.300 -0.007 0.000 1.392 458 I CB -0.235 37.760 38.000 -0.008 0.000 1.065 458 I HN 0.362 nan 8.210 nan 0.000 0.418 459 H N 0.350 119.384 119.070 -0.059 0.000 2.326 459 H HA -0.115 4.436 4.556 -0.008 0.000 0.301 459 H C 2.280 177.560 175.328 -0.081 0.000 1.081 459 H CA 2.190 58.195 56.048 -0.072 0.000 1.334 459 H CB -0.317 29.410 29.762 -0.059 0.000 1.385 459 H HN 0.223 nan 8.280 nan 0.000 0.504 460 S N 0.367 115.936 115.700 -0.219 0.000 2.382 460 S HA -0.132 4.333 4.470 -0.008 0.000 0.228 460 S C 1.911 176.370 174.600 -0.234 0.000 1.027 460 S CA 1.265 59.307 58.200 -0.264 0.000 0.991 460 S CB -0.088 63.035 63.200 -0.128 0.000 0.823 460 S HN 0.481 nan 8.310 nan 0.000 0.469 461 E N 1.128 121.221 120.200 -0.178 0.000 2.072 461 E HA 0.009 4.354 4.350 -0.008 0.000 0.191 461 E C 2.020 178.497 176.600 -0.204 0.000 0.985 461 E CA 0.631 56.919 56.400 -0.186 0.000 0.801 461 E CB -0.363 29.262 29.700 -0.124 0.000 0.750 461 E HN 0.507 nan 8.360 nan 0.000 0.452 462 I N 0.961 121.425 120.570 -0.177 0.000 2.361 462 I HA -0.268 3.897 4.170 -0.008 0.000 0.251 462 I C 2.356 178.333 176.117 -0.234 0.000 1.133 462 I CA 0.748 61.949 61.300 -0.166 0.000 1.413 462 I CB -0.216 37.719 38.000 -0.107 0.000 1.073 462 I HN 0.067 nan 8.210 nan 0.000 0.424 463 L N 0.375 121.409 121.223 -0.316 0.000 2.046 463 L HA -0.217 4.119 4.340 -0.008 0.000 0.208 463 L C 2.480 179.183 176.870 -0.277 0.000 1.077 463 L CA 1.554 56.189 54.840 -0.342 0.000 0.747 463 L CB -0.536 41.360 42.059 -0.272 0.000 0.896 463 L HN 0.192 nan 8.230 nan 0.000 0.432 464 K N -0.066 120.116 120.400 -0.364 0.000 2.155 464 K HA -0.112 4.204 4.320 -0.008 0.000 0.203 464 K C 2.032 178.445 176.600 -0.312 0.000 1.052 464 K CA 0.910 56.872 56.287 -0.542 0.000 0.948 464 K CB 0.061 31.986 32.500 -0.958 0.000 0.728 464 K HN 0.228 nan 8.250 nan 0.000 0.448 465 K N 0.018 120.281 120.400 -0.229 0.000 2.314 465 K HA -0.029 4.287 4.320 -0.008 0.000 0.198 465 K C 1.765 178.311 176.600 -0.091 0.000 1.045 465 K CA 1.335 57.543 56.287 -0.131 0.000 0.988 465 K CB 0.469 32.900 32.500 -0.116 0.000 0.783 465 K HN 0.276 nan 8.250 nan 0.000 0.484 466 T N -1.666 112.821 114.554 -0.111 0.000 3.216 466 T HA 0.050 4.395 4.350 -0.008 0.000 0.167 466 T C 1.561 176.221 174.700 -0.067 0.000 0.905 466 T CA -0.347 61.704 62.100 -0.080 0.000 1.042 466 T CB -0.700 68.115 68.868 -0.090 0.000 1.787 466 T HN -0.109 nan 8.240 nan 0.000 0.355 467 I N 1.431 121.907 120.570 -0.158 0.000 2.147 467 I HA -0.079 4.087 4.170 -0.008 0.000 0.245 467 I C 1.187 177.318 176.117 0.024 0.000 1.059 467 I CA 1.694 62.865 61.300 -0.215 0.000 1.320 467 I CB -0.429 37.216 38.000 -0.593 0.000 1.021 467 I HN 0.547 nan 8.210 nan 0.000 0.415 468 F N -0.712 119.296 119.950 0.095 0.000 2.791 468 F HA 0.194 4.716 4.527 -0.008 0.000 0.308 468 F C 1.823 177.687 175.800 0.107 0.000 1.138 468 F CA -0.514 57.613 58.000 0.211 0.000 1.294 468 F CB -0.102 39.003 39.000 0.176 0.000 0.975 468 F HN -0.080 nan 8.300 nan 0.000 0.512 469 K N 1.115 121.620 120.400 0.175 0.000 2.044 469 K HA -0.224 4.091 4.320 -0.008 0.000 0.210 469 K C 1.335 177.978 176.600 0.072 0.000 1.049 469 K CA 2.274 58.608 56.287 0.079 0.000 0.927 469 K CB -0.019 32.496 32.500 0.025 0.000 0.713 469 K HN 0.171 nan 8.250 nan 0.000 0.443 470 D N -0.143 120.267 120.400 0.016 0.000 2.123 470 D HA -0.171 4.464 4.640 -0.008 0.000 0.196 470 D C 1.839 178.033 176.300 -0.177 0.000 0.992 470 D CA 1.271 55.153 54.000 -0.196 0.000 0.833 470 D CB -0.318 40.261 40.800 -0.368 0.000 0.954 470 D HN 0.246 nan 8.370 nan 0.000 0.455 471 F N -0.087 119.934 119.950 0.117 0.000 2.146 471 F HA -0.145 4.378 4.527 -0.008 0.000 0.298 471 F C 2.359 178.324 175.800 0.276 0.000 1.096 471 F CA 0.533 58.684 58.000 0.252 0.000 1.275 471 F CB -0.732 38.473 39.000 0.341 0.000 1.008 471 F HN -0.037 nan 8.300 nan 0.000 0.480 472 Y N 1.313 121.598 120.300 -0.026 0.000 2.224 472 Y HA -0.191 4.355 4.550 -0.008 0.000 0.289 472 Y C 2.118 178.035 175.900 0.028 0.000 1.146 472 Y CA 1.559 59.495 58.100 -0.275 0.000 1.182 472 Y CB -0.649 37.441 38.460 -0.616 0.000 0.983 472 Y HN 0.150 nan 8.280 nan 0.000 0.524 473 E N -0.502 119.650 120.200 -0.080 0.000 2.106 473 E HA -0.188 4.158 4.350 -0.008 0.000 0.192 473 E C 1.986 178.651 176.600 0.107 0.000 0.984 473 E CA 1.171 57.530 56.400 -0.068 0.000 0.806 473 E CB -0.252 29.438 29.700 -0.017 0.000 0.750 473 E HN 0.432 nan 8.360 nan 0.000 0.458 474 L N 0.938 122.272 121.223 0.186 0.000 2.095 474 L HA -0.039 4.297 4.340 -0.008 0.000 0.204 474 L C 0.196 177.169 176.870 0.171 0.000 1.080 474 L CA 1.690 56.671 54.840 0.235 0.000 0.759 474 L CB 0.367 42.569 42.059 0.238 0.000 0.914 474 L HN -0.107 nan 8.230 nan 0.000 0.439 475 E N 0.111 120.416 120.200 0.176 0.000 3.386 475 E HA 0.185 4.531 4.350 -0.008 0.000 0.236 475 E C -2.011 174.559 176.600 -0.051 0.000 1.227 475 E CA -1.235 55.184 56.400 0.032 0.000 0.970 475 E CB 0.782 30.471 29.700 -0.017 0.000 1.343 475 E HN 0.204 nan 8.360 nan 0.000 0.397 476 P HA -0.256 nan 4.420 nan 0.000 0.218 476 P C 1.186 178.610 177.300 0.208 0.000 1.148 476 P CA 1.425 64.498 63.100 -0.045 0.000 0.822 476 P CB -0.020 31.494 31.700 -0.310 0.000 0.784 477 H N 0.342 119.523 119.070 0.184 0.000 2.456 477 H HA 0.038 4.589 4.556 -0.008 0.000 0.296 477 H C 1.530 176.936 175.328 0.129 0.000 1.079 477 H CA 0.875 57.012 56.048 0.148 0.000 1.322 477 H CB -0.805 29.015 29.762 0.095 0.000 1.388 477 H HN 0.166 nan 8.280 nan 0.000 0.538 478 K N 0.322 120.548 120.400 -0.291 0.000 2.211 478 K HA 0.013 4.328 4.320 -0.008 0.000 0.203 478 K C -0.079 176.314 176.600 -0.345 0.000 1.050 478 K CA 0.339 56.441 56.287 -0.308 0.000 0.945 478 K CB 0.023 32.210 32.500 -0.522 0.000 0.732 478 K HN 0.101 nan 8.250 nan 0.000 0.451 479 F N 1.869 121.844 119.950 0.042 0.000 2.445 479 F HA 0.144 4.666 4.527 -0.008 0.000 0.359 479 F C 0.553 176.349 175.800 -0.007 0.000 1.101 479 F CA -0.017 58.008 58.000 0.041 0.000 1.177 479 F CB 0.782 39.856 39.000 0.122 0.000 1.110 479 F HN -0.071 nan 8.300 nan 0.000 0.522 480 Q N 1.723 121.542 119.800 0.032 0.000 2.683 480 Q HA 0.389 4.725 4.340 -0.008 0.000 0.302 480 Q C -1.151 174.802 176.000 -0.078 0.000 1.042 480 Q CA -1.297 54.481 55.803 -0.041 0.000 0.773 480 Q CB 3.017 31.677 28.738 -0.130 0.000 1.508 480 Q HN 0.632 nan 8.270 nan 0.000 0.459 481 N N 0.437 119.071 118.700 -0.110 0.000 2.240 481 N HA 0.305 5.040 4.740 -0.008 0.000 0.302 481 N C -1.541 173.866 175.510 -0.171 0.000 1.106 481 N CA -0.411 52.573 53.050 -0.110 0.000 0.778 481 N CB 1.217 39.662 38.487 -0.070 0.000 1.431 481 N HN 0.284 nan 8.380 nan 0.000 0.479 482 K N 2.569 122.878 120.400 -0.151 0.000 2.803 482 K HA 0.168 4.483 4.320 -0.008 0.000 0.229 482 K C -1.033 175.583 176.600 0.026 0.000 1.084 482 K CA -0.448 55.729 56.287 -0.183 0.000 1.063 482 K CB 0.993 33.170 32.500 -0.538 0.000 1.254 482 K HN 0.568 nan 8.250 nan 0.000 0.551 483 T N 1.893 116.475 114.554 0.047 0.000 2.908 483 T HA 0.025 4.370 4.350 -0.008 0.000 0.301 483 T C 0.858 175.687 174.700 0.215 0.000 1.019 483 T CA 0.510 62.688 62.100 0.129 0.000 1.152 483 T CB 0.283 69.226 68.868 0.126 0.000 0.966 483 T HN 0.343 nan 8.240 nan 0.000 0.540 484 N N 0.515 119.364 118.700 0.249 0.000 2.231 484 N HA 0.408 5.143 4.740 -0.008 0.000 0.223 484 N C 0.500 176.199 175.510 0.315 0.000 1.329 484 N CA -0.143 53.089 53.050 0.303 0.000 0.889 484 N CB 0.359 38.967 38.487 0.201 0.000 1.125 484 N HN 0.767 nan 8.380 nan 0.000 0.447 485 G N -0.794 108.199 108.800 0.321 0.000 2.645 485 G HA2 0.583 4.538 3.960 -0.008 0.000 0.292 485 G HA3 0.583 4.538 3.960 -0.008 0.000 0.292 485 G C -1.507 173.531 174.900 0.229 0.000 1.415 485 G CA -0.738 44.536 45.100 0.289 0.000 0.785 485 G HN 0.602 nan 8.290 nan 0.000 0.483 486 I N -2.440 118.250 120.570 0.201 0.000 2.865 486 I HA 0.754 4.920 4.170 -0.008 0.000 0.302 486 I C -0.364 175.910 176.117 0.262 0.000 1.140 486 I CA -0.951 60.461 61.300 0.186 0.000 1.021 486 I CB 2.442 40.448 38.000 0.009 0.000 1.233 486 I HN 0.514 nan 8.210 nan 0.000 0.427 487 T N 4.427 119.192 114.554 0.352 0.000 2.761 487 T HA 0.350 4.696 4.350 -0.008 0.000 0.296 487 T C -1.317 173.501 174.700 0.198 0.000 0.934 487 T CA -1.646 60.585 62.100 0.219 0.000 1.091 487 T CB 0.740 69.685 68.868 0.129 0.000 0.896 487 T HN 0.643 nan 8.240 nan 0.000 0.515 488 P HA -0.004 nan 4.420 nan 0.000 0.230 488 P C 1.078 178.349 177.300 -0.049 0.000 1.158 488 P CA 0.410 63.548 63.100 0.063 0.000 0.769 488 P CB 0.389 32.110 31.700 0.035 0.000 0.807 489 R N 0.431 120.857 120.500 -0.124 0.000 2.056 489 R HA 0.015 4.350 4.340 -0.008 0.000 0.227 489 R C 2.738 178.921 176.300 -0.195 0.000 1.149 489 R CA 1.528 57.512 56.100 -0.193 0.000 0.937 489 R CB -1.203 28.988 30.300 -0.182 0.000 0.835 489 R HN 0.052 nan 8.270 nan 0.000 0.430 490 R N -0.815 119.512 120.500 -0.288 0.000 2.075 490 R HA -0.105 4.230 4.340 -0.008 0.000 0.232 490 R C 0.953 176.878 176.300 -0.624 0.000 1.126 490 R CA 1.496 57.270 56.100 -0.544 0.000 0.963 490 R CB -0.142 29.657 30.300 -0.835 0.000 0.858 490 R HN 0.284 nan 8.270 nan 0.000 0.435 491 W N 0.014 121.270 121.300 -0.073 0.000 3.405 491 W HA 0.155 4.810 4.660 -0.009 0.000 0.300 491 W C 0.840 177.327 176.519 -0.053 0.000 1.286 491 W CA -0.662 56.638 57.345 -0.075 0.000 1.762 491 W CB 0.386 29.805 29.460 -0.068 0.000 1.087 491 W HN 0.226 nan 8.180 nan 0.000 0.703 492 L N -2.427 118.840 121.223 0.075 0.000 2.604 492 L HA 0.167 4.502 4.340 -0.008 0.000 0.150 492 L C 1.763 178.646 176.870 0.023 0.000 1.292 492 L CA 0.662 55.547 54.840 0.077 0.000 0.977 492 L CB -0.858 41.274 42.059 0.122 0.000 1.943 492 L HN -0.271 nan 8.230 nan 0.000 0.508 493 V N 1.358 121.266 119.914 -0.009 0.000 2.282 493 V HA -0.293 3.823 4.120 -0.008 0.000 0.249 493 V C 2.437 178.503 176.094 -0.047 0.000 1.057 493 V CA 2.605 64.889 62.300 -0.026 0.000 1.032 493 V CB -0.701 31.076 31.823 -0.076 0.000 0.645 493 V HN 0.525 nan 8.190 nan 0.000 0.447 494 L N 0.338 121.503 121.223 -0.098 0.000 2.068 494 L HA -0.153 4.182 4.340 -0.008 0.000 0.204 494 L C 2.443 179.244 176.870 -0.115 0.000 1.076 494 L CA 2.214 56.980 54.840 -0.124 0.000 0.753 494 L CB -0.205 41.732 42.059 -0.204 0.000 0.910 494 L HN 0.650 nan 8.230 nan 0.000 0.439 495 C N -1.828 117.396 119.300 -0.127 0.000 2.563 495 C HA 0.226 4.682 4.460 -0.008 0.000 0.268 495 C C 1.166 176.133 174.990 -0.038 0.000 1.365 495 C CA -0.323 58.638 59.018 -0.094 0.000 1.754 495 C CB -1.017 26.662 27.740 -0.102 0.000 1.932 495 C HN 0.585 nan 8.230 nan 0.000 0.536 496 N N 1.200 119.890 118.700 -0.017 0.000 2.703 496 N HA 0.272 5.007 4.740 -0.008 0.000 0.283 496 N C -1.647 173.872 175.510 0.016 0.000 1.851 496 N CA -1.627 51.426 53.050 0.005 0.000 0.826 496 N CB 0.729 39.227 38.487 0.019 0.000 1.239 496 N HN 0.244 nan 8.380 nan 0.000 0.495 497 P HA -0.072 nan 4.420 nan 0.000 0.216 497 P C 1.403 178.718 177.300 0.025 0.000 1.150 497 P CA 1.006 64.116 63.100 0.017 0.000 0.837 497 P CB 0.205 31.909 31.700 0.006 0.000 0.786 498 G N 0.549 109.359 108.800 0.015 0.000 2.440 498 G HA2 -0.248 3.707 3.960 -0.008 0.000 0.218 498 G HA3 -0.248 3.707 3.960 -0.008 0.000 0.218 498 G C 1.535 176.442 174.900 0.012 0.000 1.154 498 G CA 0.703 45.809 45.100 0.010 0.000 0.767 498 G HN 0.267 nan 8.290 nan 0.000 0.552 499 L N 1.077 122.310 121.223 0.015 0.000 2.131 499 L HA 0.345 4.680 4.340 -0.008 0.000 0.206 499 L C 2.998 179.898 176.870 0.051 0.000 1.087 499 L CA 1.859 56.707 54.840 0.013 0.000 0.767 499 L CB -0.635 41.432 42.059 0.014 0.000 0.917 499 L HN 0.207 nan 8.230 nan 0.000 0.441 500 A N -0.723 122.149 122.820 0.088 0.000 1.933 500 A HA -0.224 4.091 4.320 -0.008 0.000 0.218 500 A C 2.214 179.899 177.584 0.168 0.000 1.175 500 A CA 1.678 53.823 52.037 0.180 0.000 0.628 500 A CB -0.601 18.500 19.000 0.168 0.000 0.814 500 A HN 0.531 nan 8.150 nan 0.000 0.444 501 E N 0.868 121.125 120.200 0.096 0.000 2.028 501 E HA -0.172 4.173 4.350 -0.008 0.000 0.191 501 E C 1.849 178.489 176.600 0.068 0.000 0.988 501 E CA 1.705 58.151 56.400 0.076 0.000 0.799 501 E CB -0.549 29.177 29.700 0.043 0.000 0.755 501 E HN 0.726 nan 8.360 nan 0.000 0.447 502 I N -1.623 118.979 120.570 0.055 0.000 2.454 502 I HA -0.144 4.021 4.170 -0.008 0.000 0.254 502 I C 2.149 178.342 176.117 0.128 0.000 1.156 502 I CA 1.142 62.488 61.300 0.077 0.000 1.433 502 I CB -0.348 37.676 38.000 0.039 0.000 1.082 502 I HN 0.039 nan 8.210 nan 0.000 0.432 503 I N 1.800 122.418 120.570 0.081 0.000 2.277 503 I HA -0.137 4.029 4.170 -0.008 0.000 0.243 503 I C 3.009 179.080 176.117 -0.078 0.000 1.094 503 I CA 1.172 62.450 61.300 -0.036 0.000 1.393 503 I CB -0.428 37.427 38.000 -0.242 0.000 1.078 503 I HN 0.279 nan 8.210 nan 0.000 0.417 504 A N 0.501 123.368 122.820 0.078 0.000 1.933 504 A HA -0.230 4.085 4.320 -0.008 0.000 0.218 504 A C 2.137 179.755 177.584 0.057 0.000 1.175 504 A CA 1.609 53.748 52.037 0.169 0.000 0.628 504 A CB -0.607 18.524 19.000 0.217 0.000 0.814 504 A HN 0.435 nan 8.150 nan 0.000 0.444 505 E N -0.761 119.453 120.200 0.023 0.000 2.209 505 E HA -0.180 4.165 4.350 -0.008 0.000 0.196 505 E C 1.999 178.559 176.600 -0.066 0.000 0.993 505 E CA 1.114 57.510 56.400 -0.007 0.000 0.819 505 E CB -0.074 29.627 29.700 0.001 0.000 0.745 505 E HN 0.589 nan 8.360 nan 0.000 0.477 506 R N -0.231 120.175 120.500 -0.157 0.000 2.307 506 R HA 0.189 4.525 4.340 -0.008 0.000 0.200 506 R C 1.891 178.092 176.300 -0.165 0.000 0.893 506 R CA 0.428 56.350 56.100 -0.297 0.000 1.042 506 R CB 0.567 30.367 30.300 -0.833 0.000 1.059 506 R HN 0.231 nan 8.270 nan 0.000 0.530 507 I N -4.187 116.327 120.570 -0.093 0.000 4.541 507 I HA 0.458 4.624 4.170 -0.008 0.000 0.337 507 I C 0.355 176.516 176.117 0.074 0.000 1.338 507 I CA -0.253 61.047 61.300 -0.001 0.000 1.244 507 I CB 1.174 39.160 38.000 -0.022 0.000 1.417 507 I HN 0.108 nan 8.210 nan 0.000 0.501 508 G N 2.322 111.175 108.800 0.088 0.000 2.660 508 G HA2 -0.198 3.758 3.960 -0.008 0.000 0.247 508 G HA3 -0.198 3.758 3.960 -0.008 0.000 0.247 508 G C -0.094 174.944 174.900 0.231 0.000 1.328 508 G CA 0.191 45.366 45.100 0.125 0.000 0.884 508 G HN 0.440 nan 8.290 nan 0.000 0.531 509 E N -0.046 120.238 120.200 0.140 0.000 2.476 509 E HA 0.144 4.489 4.350 -0.008 0.000 0.199 509 E C 1.847 178.399 176.600 -0.080 0.000 1.021 509 E CA 0.518 56.940 56.400 0.037 0.000 0.907 509 E CB 0.306 30.016 29.700 0.016 0.000 0.974 509 E HN 0.532 nan 8.360 nan 0.000 0.489 510 E N 0.581 120.804 120.200 0.039 0.000 2.209 510 E HA -0.226 4.120 4.350 -0.008 0.000 0.196 510 E C 1.621 178.214 176.600 -0.012 0.000 0.993 510 E CA 1.148 57.562 56.400 0.022 0.000 0.819 510 E CB -0.478 29.258 29.700 0.061 0.000 0.745 510 E HN 0.555 nan 8.360 nan 0.000 0.477 511 Y N -0.644 119.660 120.300 0.008 0.000 2.333 511 Y HA -0.084 4.462 4.550 -0.006 0.000 0.290 511 Y C 1.785 177.660 175.900 -0.040 0.000 1.144 511 Y CA 0.706 58.802 58.100 -0.007 0.000 1.228 511 Y CB -0.691 37.770 38.460 0.002 0.000 0.985 511 Y HN -0.033 nan 8.280 nan 0.000 0.542 512 I N 1.034 121.071 120.570 -0.888 0.000 2.399 512 I HA -0.276 3.890 4.170 -0.008 0.000 0.254 512 I C 1.520 177.363 176.117 -0.457 0.000 1.146 512 I CA 1.954 62.807 61.300 -0.745 0.000 1.412 512 I CB -0.425 37.053 38.000 -0.869 0.000 1.076 512 I HN 0.502 nan 8.210 nan 0.000 0.432 513 S N -2.161 113.380 115.700 -0.266 0.000 2.749 513 S HA 0.204 4.669 4.470 -0.008 0.000 0.246 513 S C 0.076 174.653 174.600 -0.038 0.000 1.023 513 S CA -0.523 57.601 58.200 -0.126 0.000 1.012 513 S CB 0.419 63.618 63.200 -0.001 0.000 0.942 513 S HN 0.282 nan 8.310 nan 0.000 0.531 514 D N 0.754 121.141 120.400 -0.023 0.000 2.934 514 D HA 0.211 4.846 4.640 -0.008 0.000 0.249 514 D C 0.334 176.676 176.300 0.070 0.000 1.293 514 D CA -0.358 53.657 54.000 0.024 0.000 0.812 514 D CB 0.379 41.200 40.800 0.034 0.000 1.439 514 D HN 0.097 nan 8.370 nan 0.000 0.555 515 L N 1.217 122.481 121.223 0.069 0.000 2.353 515 L HA -0.018 4.318 4.340 -0.008 0.000 0.220 515 L C 1.438 178.363 176.870 0.091 0.000 1.133 515 L CA 1.578 56.490 54.840 0.120 0.000 0.798 515 L CB -0.095 42.026 42.059 0.103 0.000 0.922 515 L HN 0.275 nan 8.230 nan 0.000 0.445 516 D N -0.821 119.608 120.400 0.049 0.000 2.263 516 D HA -0.212 4.424 4.640 -0.008 0.000 0.208 516 D C 1.885 178.208 176.300 0.039 0.000 0.971 516 D CA 0.804 54.818 54.000 0.025 0.000 0.867 516 D CB 0.071 40.873 40.800 0.003 0.000 0.929 516 D HN 0.550 nan 8.370 nan 0.000 0.492 517 Q N -0.032 119.809 119.800 0.069 0.000 2.437 517 Q HA -0.018 4.317 4.340 -0.008 0.000 0.210 517 Q C 2.204 178.229 176.000 0.040 0.000 0.972 517 Q CA 0.159 56.004 55.803 0.069 0.000 0.903 517 Q CB 0.062 28.869 28.738 0.115 0.000 0.967 517 Q HN 0.374 nan 8.270 nan 0.000 0.486 518 L N 0.191 121.433 121.223 0.032 0.000 2.353 518 L HA -0.178 4.157 4.340 -0.008 0.000 0.220 518 L C 2.274 179.145 176.870 0.003 0.000 1.133 518 L CA 0.551 55.377 54.840 -0.025 0.000 0.798 518 L CB -0.355 41.701 42.059 -0.004 0.000 0.922 518 L HN 0.204 nan 8.230 nan 0.000 0.445 519 R N 0.768 121.277 120.500 0.016 0.000 2.103 519 R HA -0.192 4.143 4.340 -0.008 0.000 0.242 519 R C 2.059 178.365 176.300 0.010 0.000 1.142 519 R CA 1.292 57.401 56.100 0.014 0.000 0.960 519 R CB -0.443 29.861 30.300 0.007 0.000 0.858 519 R HN 0.435 nan 8.270 nan 0.000 0.439 520 K N 0.649 121.055 120.400 0.010 0.000 2.286 520 K HA -0.111 4.205 4.320 -0.008 0.000 0.203 520 K C 2.026 178.659 176.600 0.055 0.000 1.045 520 K CA 0.885 57.182 56.287 0.017 0.000 0.935 520 K CB -0.208 32.313 32.500 0.035 0.000 0.737 520 K HN 0.209 nan 8.250 nan 0.000 0.460 521 L N 0.558 121.812 121.223 0.051 0.000 2.456 521 L HA -0.148 4.188 4.340 -0.008 0.000 0.224 521 L C 1.915 178.846 176.870 0.101 0.000 1.148 521 L CA 0.056 54.948 54.840 0.087 0.000 0.825 521 L CB -0.260 41.820 42.059 0.035 0.000 0.937 521 L HN 0.133 nan 8.230 nan 0.000 0.450 522 L N 0.019 121.266 121.223 0.039 0.000 2.191 522 L HA -0.169 4.166 4.340 -0.008 0.000 0.212 522 L C 2.614 179.458 176.870 -0.043 0.000 1.103 522 L CA 1.845 56.694 54.840 0.015 0.000 0.769 522 L CB -0.740 41.317 42.059 -0.003 0.000 0.908 522 L HN 0.338 nan 8.230 nan 0.000 0.438 523 S N -2.864 112.746 115.700 -0.150 0.000 2.650 523 S HA -0.025 4.440 4.470 -0.008 0.000 0.219 523 S C 1.067 175.383 174.600 -0.474 0.000 0.960 523 S CA 0.077 58.091 58.200 -0.310 0.000 0.925 523 S CB -0.472 62.483 63.200 -0.408 0.000 0.775 523 S HN 0.432 nan 8.310 nan 0.000 0.525 524 Y N -0.552 119.682 120.300 -0.110 0.000 2.500 524 Y HA 0.422 4.970 4.550 -0.003 0.000 0.246 524 Y C 1.893 177.827 175.900 0.057 0.000 1.146 524 Y CA -0.717 57.311 58.100 -0.120 0.000 1.230 524 Y CB 0.139 38.312 38.460 -0.478 0.000 1.214 524 Y HN 0.265 nan 8.280 nan 0.000 0.526 525 V N 0.441 120.448 119.914 0.155 0.000 2.720 525 V HA -0.219 3.896 4.120 -0.008 0.000 0.256 525 V C 0.891 177.059 176.094 0.123 0.000 1.082 525 V CA 2.294 64.687 62.300 0.155 0.000 1.101 525 V CB -0.008 31.866 31.823 0.084 0.000 0.693 525 V HN 0.318 nan 8.190 nan 0.000 0.479 526 D N -0.740 119.713 120.400 0.088 0.000 2.395 526 D HA 0.128 4.763 4.640 -0.008 0.000 0.213 526 D C 0.327 176.680 176.300 0.089 0.000 1.110 526 D CA -0.013 54.028 54.000 0.068 0.000 0.835 526 D CB 0.087 40.903 40.800 0.028 0.000 0.965 526 D HN 0.440 nan 8.370 nan 0.000 0.505 527 D N 1.403 121.892 120.400 0.149 0.000 2.336 527 D HA -0.025 4.610 4.640 -0.008 0.000 0.249 527 D C 1.228 177.635 176.300 0.178 0.000 1.213 527 D CA -0.006 54.103 54.000 0.181 0.000 0.870 527 D CB 1.569 42.550 40.800 0.301 0.000 1.076 527 D HN -0.216 nan 8.370 nan 0.000 0.483 528 E N 3.466 123.736 120.200 0.117 0.000 2.085 528 E HA -0.165 4.181 4.350 -0.008 0.000 0.194 528 E C 1.739 178.394 176.600 0.091 0.000 0.994 528 E CA 1.627 58.079 56.400 0.086 0.000 0.801 528 E CB -0.148 29.586 29.700 0.057 0.000 0.743 528 E HN 0.594 nan 8.360 nan 0.000 0.453 529 A N -0.274 122.612 122.820 0.110 0.000 1.877 529 A HA -0.161 4.154 4.320 -0.008 0.000 0.216 529 A C 2.297 179.960 177.584 0.132 0.000 1.186 529 A CA 1.455 53.553 52.037 0.101 0.000 0.620 529 A CB -1.039 18.022 19.000 0.101 0.000 0.822 529 A HN 0.437 nan 8.150 nan 0.000 0.443 530 F N 0.388 120.346 119.950 0.013 0.000 2.102 530 F HA -0.172 4.351 4.527 -0.006 0.000 0.298 530 F C 2.113 177.915 175.800 0.004 0.000 1.105 530 F CA 1.713 59.706 58.000 -0.012 0.000 1.239 530 F CB -0.132 38.868 39.000 0.000 0.000 0.991 530 F HN 0.164 nan 8.300 nan 0.000 0.474 531 I N 0.160 120.765 120.570 0.058 0.000 2.194 531 I HA -0.381 3.784 4.170 -0.008 0.000 0.246 531 I C 2.559 178.623 176.117 -0.089 0.000 1.093 531 I CA 1.744 63.023 61.300 -0.035 0.000 1.355 531 I CB -0.510 37.516 38.000 0.044 0.000 1.046 531 I HN 0.129 nan 8.210 nan 0.000 0.413 532 R N 0.836 121.308 120.500 -0.046 0.000 2.096 532 R HA -0.178 4.157 4.340 -0.008 0.000 0.235 532 R C 1.871 178.117 176.300 -0.089 0.000 1.127 532 R CA 1.759 57.829 56.100 -0.050 0.000 0.968 532 R CB -0.089 30.201 30.300 -0.017 0.000 0.861 532 R HN 0.319 nan 8.270 nan 0.000 0.440 533 D N -0.401 119.922 120.400 -0.128 0.000 2.123 533 D HA -0.110 4.525 4.640 -0.008 0.000 0.200 533 D C 1.947 178.114 176.300 -0.222 0.000 0.976 533 D CA 1.165 55.074 54.000 -0.151 0.000 0.831 533 D CB -0.186 40.535 40.800 -0.133 0.000 0.974 533 D HN 0.076 nan 8.370 nan 0.000 0.469 534 V N 1.752 121.437 119.914 -0.382 0.000 2.287 534 V HA -0.273 3.842 4.120 -0.008 0.000 0.248 534 V C 2.568 178.567 176.094 -0.159 0.000 1.053 534 V CA 2.014 64.108 62.300 -0.342 0.000 1.027 534 V CB -0.820 30.736 31.823 -0.444 0.000 0.646 534 V HN 0.187 nan 8.190 nan 0.000 0.447 535 A N -0.702 122.046 122.820 -0.121 0.000 1.930 535 A HA -0.243 4.073 4.320 -0.008 0.000 0.217 535 A C 2.351 179.895 177.584 -0.065 0.000 1.175 535 A CA 2.052 54.051 52.037 -0.064 0.000 0.627 535 A CB -0.454 18.513 19.000 -0.055 0.000 0.815 535 A HN 0.533 nan 8.150 nan 0.000 0.443 536 K N -0.259 120.096 120.400 -0.074 0.000 2.057 536 K HA -0.077 4.238 4.320 -0.008 0.000 0.206 536 K C 1.834 178.405 176.600 -0.049 0.000 1.050 536 K CA 1.496 57.748 56.287 -0.057 0.000 0.935 536 K CB -0.252 32.216 32.500 -0.052 0.000 0.715 536 K HN 0.225 nan 8.250 nan 0.000 0.439 537 V N 1.754 121.633 119.914 -0.058 0.000 2.332 537 V HA -0.261 3.855 4.120 -0.008 0.000 0.248 537 V C 2.369 178.446 176.094 -0.028 0.000 1.055 537 V CA 2.030 64.305 62.300 -0.041 0.000 1.038 537 V CB -0.466 31.326 31.823 -0.052 0.000 0.651 537 V HN 0.353 nan 8.190 nan 0.000 0.450 538 K N 0.453 120.835 120.400 -0.031 0.000 2.026 538 K HA -0.231 4.084 4.320 -0.008 0.000 0.208 538 K C 2.163 178.736 176.600 -0.045 0.000 1.048 538 K CA 1.849 58.125 56.287 -0.019 0.000 0.929 538 K CB -0.537 31.965 32.500 0.004 0.000 0.713 538 K HN 0.385 nan 8.250 nan 0.000 0.439 539 Q N 1.019 120.785 119.800 -0.056 0.000 2.084 539 Q HA -0.128 4.208 4.340 -0.008 0.000 0.202 539 Q C 1.686 177.662 176.000 -0.040 0.000 0.978 539 Q CA 2.048 57.808 55.803 -0.072 0.000 0.844 539 Q CB -0.109 28.590 28.738 -0.064 0.000 0.898 539 Q HN 0.533 nan 8.270 nan 0.000 0.426 540 E N -0.523 119.666 120.200 -0.018 0.000 2.077 540 E HA -0.152 4.193 4.350 -0.008 0.000 0.193 540 E C 1.795 178.415 176.600 0.034 0.000 0.989 540 E CA 0.963 57.368 56.400 0.008 0.000 0.800 540 E CB -0.092 29.611 29.700 0.006 0.000 0.746 540 E HN 0.408 nan 8.360 nan 0.000 0.452 541 N N 1.087 119.804 118.700 0.029 0.000 2.104 541 N HA -0.150 4.585 4.740 -0.008 0.000 0.190 541 N C 1.521 177.105 175.510 0.123 0.000 1.024 541 N CA 1.099 54.187 53.050 0.062 0.000 0.853 541 N CB -0.101 38.407 38.487 0.036 0.000 1.008 541 N HN 0.151 nan 8.380 nan 0.000 0.424 542 K N 0.561 120.996 120.400 0.058 0.000 2.057 542 K HA 0.015 4.330 4.320 -0.008 0.000 0.206 542 K C 2.127 178.839 176.600 0.187 0.000 1.050 542 K CA 0.657 56.990 56.287 0.077 0.000 0.935 542 K CB -0.140 32.148 32.500 -0.352 0.000 0.715 542 K HN 0.115 nan 8.250 nan 0.000 0.439 543 L N 1.072 122.352 121.223 0.095 0.000 2.056 543 L HA -0.160 4.176 4.340 -0.008 0.000 0.207 543 L C 2.607 179.565 176.870 0.147 0.000 1.078 543 L CA 1.022 55.925 54.840 0.105 0.000 0.749 543 L CB -0.328 41.766 42.059 0.059 0.000 0.901 543 L HN 0.094 nan 8.230 nan 0.000 0.433 544 K N -0.086 120.407 120.400 0.156 0.000 2.097 544 K HA -0.205 4.110 4.320 -0.008 0.000 0.206 544 K C 2.140 178.893 176.600 0.256 0.000 1.049 544 K CA 1.650 58.040 56.287 0.173 0.000 0.933 544 K CB -0.242 32.345 32.500 0.146 0.000 0.717 544 K HN 0.142 nan 8.250 nan 0.000 0.442 545 F N 1.051 121.092 119.950 0.151 0.000 2.234 545 F HA 0.022 4.544 4.527 -0.008 0.000 0.296 545 F C 2.041 177.979 175.800 0.231 0.000 1.089 545 F CA 1.019 59.126 58.000 0.179 0.000 1.343 545 F CB -0.426 38.678 39.000 0.174 0.000 1.040 545 F HN 0.013 nan 8.300 nan 0.000 0.498 546 A N 0.254 123.201 122.820 0.211 0.000 1.972 546 A HA -0.046 4.269 4.320 -0.008 0.000 0.219 546 A C 2.371 179.964 177.584 0.014 0.000 1.169 546 A CA 1.736 53.822 52.037 0.082 0.000 0.635 546 A CB -1.400 17.713 19.000 0.188 0.000 0.810 546 A HN 0.457 nan 8.150 nan 0.000 0.446 547 A N -1.237 121.626 122.820 0.072 0.000 1.854 547 A HA -0.028 4.288 4.320 -0.008 0.000 0.214 547 A C 2.113 179.722 177.584 0.042 0.000 1.192 547 A CA 1.478 53.554 52.037 0.065 0.000 0.611 547 A CB -0.980 18.074 19.000 0.090 0.000 0.832 547 A HN 0.765 nan 8.150 nan 0.000 0.442 548 Y N 0.220 120.480 120.300 -0.065 0.000 2.181 548 Y HA -0.242 4.303 4.550 -0.007 0.000 0.284 548 Y C 1.878 177.704 175.900 -0.123 0.000 1.179 548 Y CA 1.841 59.897 58.100 -0.075 0.000 1.179 548 Y CB -0.414 38.022 38.460 -0.041 0.000 0.973 548 Y HN 0.193 nan 8.280 nan 0.000 0.519 549 L N 0.858 122.030 121.223 -0.085 0.000 2.042 549 L HA -0.220 4.115 4.340 -0.008 0.000 0.210 549 L C 2.328 179.150 176.870 -0.079 0.000 1.076 549 L CA 2.097 56.860 54.840 -0.128 0.000 0.749 549 L CB -0.883 41.019 42.059 -0.262 0.000 0.893 549 L HN 0.356 nan 8.230 nan 0.000 0.432 550 E N -1.566 118.594 120.200 -0.066 0.000 2.158 550 E HA -0.138 4.208 4.350 -0.008 0.000 0.191 550 E C 2.309 178.861 176.600 -0.080 0.000 0.982 550 E CA 0.415 56.799 56.400 -0.027 0.000 0.823 550 E CB 0.027 29.744 29.700 0.028 0.000 0.766 550 E HN 0.418 nan 8.360 nan 0.000 0.468 551 R N 0.769 121.184 120.500 -0.142 0.000 2.070 551 R HA -0.098 4.238 4.340 -0.008 0.000 0.232 551 R C 1.843 177.976 176.300 -0.279 0.000 1.138 551 R CA 1.104 57.096 56.100 -0.180 0.000 0.936 551 R CB -0.036 30.155 30.300 -0.181 0.000 0.839 551 R HN 0.083 nan 8.270 nan 0.000 0.429 552 E N -0.801 119.108 120.200 -0.486 0.000 2.478 552 E HA -0.037 4.309 4.350 -0.008 0.000 0.194 552 E C 0.217 176.291 176.600 -0.876 0.000 1.045 552 E CA 0.697 56.685 56.400 -0.687 0.000 0.868 552 E CB 0.391 29.526 29.700 -0.942 0.000 0.885 552 E HN 0.440 nan 8.360 nan 0.000 0.505 553 Y N 0.005 120.196 120.300 -0.182 0.000 2.888 553 Y HA 0.176 4.721 4.550 -0.008 0.000 0.260 553 Y C -0.171 175.699 175.900 -0.050 0.000 1.113 553 Y CA -0.985 57.064 58.100 -0.085 0.000 1.237 553 Y CB 0.582 39.005 38.460 -0.060 0.000 1.307 553 Y HN -0.271 nan 8.280 nan 0.000 0.580 554 K N 1.269 121.688 120.400 0.031 0.000 3.834 554 K HA -0.135 4.181 4.320 -0.008 0.000 0.276 554 K C -0.631 176.010 176.600 0.069 0.000 0.850 554 K CA 0.952 57.261 56.287 0.038 0.000 0.704 554 K CB -1.588 30.931 32.500 0.033 0.000 1.644 554 K HN 0.284 nan 8.250 nan 0.000 0.440 555 V N -1.532 118.420 119.914 0.063 0.000 2.569 555 V HA 0.425 4.541 4.120 -0.008 0.000 0.301 555 V C -0.282 175.850 176.094 0.063 0.000 1.044 555 V CA -1.100 61.235 62.300 0.058 0.000 0.874 555 V CB 1.963 33.802 31.823 0.027 0.000 1.002 555 V HN 0.431 nan 8.190 nan 0.000 0.424 556 H N 5.643 124.710 119.070 -0.006 0.000 2.473 556 H HA 0.841 5.393 4.556 -0.008 0.000 0.327 556 H C -0.321 175.004 175.328 -0.005 0.000 1.105 556 H CA -0.147 55.901 56.048 -0.001 0.000 1.280 556 H CB 1.541 31.308 29.762 0.009 0.000 1.450 556 H HN 1.009 nan 8.280 nan 0.000 0.492 557 I N 1.392 121.598 120.570 -0.606 0.000 2.994 557 I HA 0.423 4.589 4.170 -0.008 0.000 0.306 557 I C -0.977 174.903 176.117 -0.395 0.000 1.195 557 I CA -1.411 59.666 61.300 -0.372 0.000 1.001 557 I CB 2.255 40.142 38.000 -0.188 0.000 1.244 557 I HN 0.494 nan 8.210 nan 0.000 0.437 558 N N 4.256 122.882 118.700 -0.123 0.000 2.437 558 N HA 0.407 5.143 4.740 -0.008 0.000 0.243 558 N C -2.056 173.527 175.510 0.121 0.000 1.041 558 N CA -2.323 50.721 53.050 -0.010 0.000 0.940 558 N CB 1.061 39.566 38.487 0.030 0.000 1.133 558 N HN 0.356 nan 8.380 nan 0.000 0.506 559 P HA -0.050 nan 4.420 nan 0.000 0.226 559 P C 0.191 177.442 177.300 -0.080 0.000 1.146 559 P CA 0.875 64.002 63.100 0.046 0.000 0.773 559 P CB 0.273 31.993 31.700 0.033 0.000 0.772 560 N N -1.297 117.398 118.700 -0.008 0.000 2.353 560 N HA 0.010 4.746 4.740 -0.008 0.000 0.185 560 N C 0.622 176.148 175.510 0.026 0.000 1.098 560 N CA 0.338 53.381 53.050 -0.012 0.000 0.872 560 N CB -0.060 38.437 38.487 0.017 0.000 0.970 560 N HN 0.229 nan 8.380 nan 0.000 0.467 561 S N 0.371 116.098 115.700 0.044 0.000 2.614 561 S HA 0.260 4.725 4.470 -0.008 0.000 0.265 561 S C 0.293 174.860 174.600 -0.055 0.000 1.303 561 S CA -0.791 57.433 58.200 0.039 0.000 1.000 561 S CB 1.259 64.510 63.200 0.085 0.000 0.935 561 S HN 0.217 nan 8.310 nan 0.000 0.551 562 L N 1.851 122.899 121.223 -0.291 0.000 2.360 562 L HA 0.388 4.724 4.340 -0.008 0.000 0.276 562 L C -0.912 175.922 176.870 -0.061 0.000 1.121 562 L CA -0.614 53.834 54.840 -0.653 0.000 0.845 562 L CB -0.110 41.258 42.059 -1.152 0.000 1.143 562 L HN 0.719 nan 8.230 nan 0.000 0.452 563 F N 4.241 124.040 119.950 -0.251 0.000 2.423 563 F HA 0.096 4.619 4.527 -0.006 0.000 0.356 563 F C 0.434 176.156 175.800 -0.131 0.000 1.170 563 F CA -0.833 57.092 58.000 -0.125 0.000 1.163 563 F CB 0.525 39.503 39.000 -0.037 0.000 1.318 563 F HN 0.531 nan 8.300 nan 0.000 0.569 564 D N 4.884 125.276 120.400 -0.014 0.000 2.396 564 D HA 0.225 4.861 4.640 -0.008 0.000 0.225 564 D C -0.987 175.245 176.300 -0.114 0.000 1.121 564 D CA 0.003 53.951 54.000 -0.087 0.000 0.853 564 D CB 1.292 42.028 40.800 -0.107 0.000 1.043 564 D HN 0.264 nan 8.370 nan 0.000 0.500 565 V N 2.871 122.700 119.914 -0.142 0.000 2.656 565 V HA 0.564 4.679 4.120 -0.008 0.000 0.307 565 V C -1.409 174.525 176.094 -0.267 0.000 1.051 565 V CA -0.693 61.504 62.300 -0.172 0.000 0.893 565 V CB 1.943 33.716 31.823 -0.083 0.000 0.999 565 V HN 0.515 nan 8.190 nan 0.000 0.426 566 Q N 4.415 124.075 119.800 -0.234 0.000 2.394 566 Q HA 0.647 4.983 4.340 -0.008 0.000 0.261 566 Q C -1.453 174.375 176.000 -0.287 0.000 1.023 566 Q CA -0.622 55.030 55.803 -0.252 0.000 0.720 566 Q CB 1.829 30.450 28.738 -0.195 0.000 1.241 566 Q HN 1.130 nan 8.270 nan 0.000 0.483 567 V N 1.954 121.682 119.914 -0.309 0.000 2.487 567 V HA 0.864 4.979 4.120 -0.008 0.000 0.298 567 V C -0.812 174.996 176.094 -0.477 0.000 1.028 567 V CA -0.541 61.384 62.300 -0.626 0.000 0.860 567 V CB 1.271 32.489 31.823 -1.008 0.000 0.991 567 V HN 0.797 nan 8.190 nan 0.000 0.427 568 K N 2.587 122.756 120.400 -0.385 0.000 3.040 568 K HA 0.373 4.688 4.320 -0.008 0.000 0.300 568 K C -1.326 175.281 176.600 0.011 0.000 1.092 568 K CA -1.086 55.170 56.287 -0.052 0.000 0.831 568 K CB 0.900 33.362 32.500 -0.062 0.000 1.469 568 K HN 0.476 nan 8.250 nan 0.000 0.365 569 R N 0.922 121.487 120.500 0.108 0.000 2.640 569 R HA 0.172 4.508 4.340 -0.008 0.000 0.270 569 R C 0.395 176.714 176.300 0.033 0.000 1.024 569 R CA -0.323 55.845 56.100 0.114 0.000 1.085 569 R CB -0.196 30.216 30.300 0.187 0.000 0.963 569 R HN 0.462 nan 8.270 nan 0.000 0.426 570 I N 4.539 125.105 120.570 -0.005 0.000 2.517 570 I HA 0.081 4.247 4.170 -0.008 0.000 0.285 570 I C 0.742 176.749 176.117 -0.183 0.000 1.106 570 I CA 0.648 61.894 61.300 -0.091 0.000 1.402 570 I CB -0.299 37.641 38.000 -0.100 0.000 1.399 570 I HN 0.273 nan 8.210 nan 0.000 0.535 571 H N 4.386 123.363 119.070 -0.154 0.000 3.012 571 H HA 0.240 4.792 4.556 -0.008 0.000 0.367 571 H C 0.430 175.649 175.328 -0.181 0.000 1.211 571 H CA -0.460 55.539 56.048 -0.082 0.000 1.139 571 H CB 2.043 31.670 29.762 -0.226 0.000 1.838 571 H HN 0.523 nan 8.280 nan 0.000 0.550 572 E N 1.309 121.609 120.200 0.167 0.000 2.106 572 E HA -0.186 4.159 4.350 -0.008 0.000 0.192 572 E C 1.353 177.730 176.600 -0.372 0.000 0.984 572 E CA 1.249 57.675 56.400 0.042 0.000 0.806 572 E CB 0.045 29.982 29.700 0.394 0.000 0.750 572 E HN 0.546 nan 8.360 nan 0.000 0.458 573 Y N 0.866 120.634 120.300 -0.887 0.000 2.421 573 Y HA 0.002 4.547 4.550 -0.008 0.000 0.292 573 Y C 1.541 177.144 175.900 -0.496 0.000 1.136 573 Y CA 0.642 57.981 58.100 -1.267 0.000 1.255 573 Y CB 0.042 37.773 38.460 -1.215 0.000 0.991 573 Y HN -0.217 nan 8.280 nan 0.000 0.552 574 K N 1.082 121.004 120.400 -0.796 0.000 2.296 574 K HA 0.016 4.331 4.320 -0.008 0.000 0.200 574 K C 0.274 176.696 176.600 -0.296 0.000 1.048 574 K CA 0.751 56.694 56.287 -0.572 0.000 0.966 574 K CB -0.184 32.012 32.500 -0.507 0.000 0.754 574 K HN 0.457 nan 8.250 nan 0.000 0.466 575 R N 0.842 121.197 120.500 -0.242 0.000 3.336 575 R HA -0.192 4.144 4.340 -0.008 0.000 0.260 575 R C 0.514 176.736 176.300 -0.131 0.000 1.032 575 R CA 0.257 56.270 56.100 -0.144 0.000 0.693 575 R CB -1.899 28.331 30.300 -0.116 0.000 1.134 575 R HN 0.245 nan 8.270 nan 0.000 0.433 576 Q N 0.356 120.077 119.800 -0.131 0.000 2.226 576 Q HA -0.038 4.298 4.340 -0.008 0.000 0.204 576 Q C 2.034 177.985 176.000 -0.081 0.000 0.975 576 Q CA 1.395 57.133 55.803 -0.108 0.000 0.866 576 Q CB 0.034 28.712 28.738 -0.101 0.000 0.915 576 Q HN 0.583 nan 8.270 nan 0.000 0.440 577 L N -0.580 120.600 121.223 -0.073 0.000 2.083 577 L HA -0.189 4.146 4.340 -0.008 0.000 0.209 577 L C 2.008 178.882 176.870 0.007 0.000 1.083 577 L CA 0.581 55.394 54.840 -0.046 0.000 0.752 577 L CB -0.373 41.669 42.059 -0.029 0.000 0.899 577 L HN 0.309 nan 8.230 nan 0.000 0.433 578 L N 0.008 121.228 121.223 -0.005 0.000 2.093 578 L HA -0.223 4.112 4.340 -0.008 0.000 0.208 578 L C 2.019 178.950 176.870 0.102 0.000 1.085 578 L CA 1.860 56.714 54.840 0.024 0.000 0.755 578 L CB -0.816 41.151 42.059 -0.153 0.000 0.904 578 L HN 0.285 nan 8.230 nan 0.000 0.435 579 N N -1.724 116.999 118.700 0.039 0.000 2.120 579 N HA -0.225 4.511 4.740 -0.008 0.000 0.188 579 N C 1.944 177.539 175.510 0.140 0.000 1.024 579 N CA 1.551 54.698 53.050 0.162 0.000 0.852 579 N CB -0.131 38.378 38.487 0.037 0.000 1.003 579 N HN 0.483 nan 8.380 nan 0.000 0.424 580 C N 0.629 119.946 119.300 0.029 0.000 2.413 580 C HA -0.078 4.377 4.460 -0.008 0.000 0.276 580 C C 2.602 177.587 174.990 -0.009 0.000 1.248 580 C CA 0.387 59.375 59.018 -0.050 0.000 1.742 580 C CB -1.272 26.384 27.740 -0.139 0.000 2.017 580 C HN 0.515 nan 8.230 nan 0.000 0.481 581 L N -0.333 120.947 121.223 0.094 0.000 2.079 581 L HA -0.212 4.124 4.340 -0.008 0.000 0.210 581 L C 2.758 179.778 176.870 0.251 0.000 1.081 581 L CA 1.828 56.772 54.840 0.174 0.000 0.752 581 L CB -1.024 41.215 42.059 0.299 0.000 0.896 581 L HN 0.603 nan 8.230 nan 0.000 0.433 582 H N -0.130 119.042 119.070 0.169 0.000 2.326 582 H HA -0.131 4.420 4.556 -0.008 0.000 0.301 582 H C 2.255 177.566 175.328 -0.027 0.000 1.081 582 H CA 1.873 57.932 56.048 0.018 0.000 1.334 582 H CB 0.307 29.997 29.762 -0.120 0.000 1.385 582 H HN 0.088 nan 8.280 nan 0.000 0.504 583 V N 1.700 121.528 119.914 -0.144 0.000 2.287 583 V HA -0.286 3.829 4.120 -0.008 0.000 0.248 583 V C 2.829 178.848 176.094 -0.126 0.000 1.053 583 V CA 1.952 64.132 62.300 -0.201 0.000 1.027 583 V CB -0.522 31.230 31.823 -0.118 0.000 0.646 583 V HN 0.409 nan 8.190 nan 0.000 0.447 584 I N -0.310 120.221 120.570 -0.065 0.000 2.394 584 I HA -0.204 3.962 4.170 -0.008 0.000 0.251 584 I C 2.468 178.629 176.117 0.073 0.000 1.136 584 I CA 1.598 62.925 61.300 0.044 0.000 1.425 584 I CB -0.659 37.343 38.000 0.003 0.000 1.079 584 I HN 0.329 nan 8.210 nan 0.000 0.425 585 T N 1.218 115.772 114.554 -0.001 0.000 2.708 585 T HA -0.131 4.214 4.350 -0.008 0.000 0.266 585 T C 1.891 176.536 174.700 -0.092 0.000 1.037 585 T CA 1.144 63.237 62.100 -0.011 0.000 1.146 585 T CB -0.224 68.661 68.868 0.029 0.000 0.865 585 T HN 0.078 nan 8.240 nan 0.000 0.435 586 L N 0.191 121.285 121.223 -0.214 0.000 2.042 586 L HA -0.039 4.297 4.340 -0.008 0.000 0.210 586 L C 2.085 178.909 176.870 -0.078 0.000 1.076 586 L CA 1.614 56.328 54.840 -0.211 0.000 0.749 586 L CB -0.992 40.869 42.059 -0.330 0.000 0.893 586 L HN 0.367 nan 8.230 nan 0.000 0.432 587 Y N 0.191 120.418 120.300 -0.120 0.000 2.145 587 Y HA -0.295 4.250 4.550 -0.008 0.000 0.286 587 Y C 2.450 178.323 175.900 -0.045 0.000 1.145 587 Y CA 1.869 59.939 58.100 -0.051 0.000 1.148 587 Y CB -0.094 38.381 38.460 0.024 0.000 0.981 587 Y HN 0.281 nan 8.280 nan 0.000 0.507 588 N N 0.484 119.128 118.700 -0.092 0.000 2.166 588 N HA -0.151 4.584 4.740 -0.008 0.000 0.186 588 N C 1.813 177.203 175.510 -0.199 0.000 1.019 588 N CA 1.522 54.454 53.050 -0.198 0.000 0.856 588 N CB -0.379 38.054 38.487 -0.089 0.000 0.993 588 N HN 0.448 nan 8.380 nan 0.000 0.426 589 R N 0.396 120.808 120.500 -0.146 0.000 2.092 589 R HA 0.068 4.403 4.340 -0.008 0.000 0.231 589 R C 2.213 178.425 176.300 -0.147 0.000 1.119 589 R CA 0.734 56.758 56.100 -0.127 0.000 0.970 589 R CB -0.219 30.017 30.300 -0.107 0.000 0.864 589 R HN 0.249 nan 8.270 nan 0.000 0.440 590 I N 0.890 121.350 120.570 -0.182 0.000 2.202 590 I HA -0.253 3.912 4.170 -0.008 0.000 0.242 590 I C 2.037 178.035 176.117 -0.197 0.000 1.091 590 I CA 1.163 62.357 61.300 -0.176 0.000 1.368 590 I CB -0.155 37.743 38.000 -0.169 0.000 1.058 590 I HN 0.028 nan 8.210 nan 0.000 0.410 591 K N 0.871 121.087 120.400 -0.306 0.000 2.211 591 K HA -0.187 4.129 4.320 -0.008 0.000 0.203 591 K C 1.967 178.468 176.600 -0.164 0.000 1.050 591 K CA 1.032 57.157 56.287 -0.269 0.000 0.945 591 K CB -0.272 31.990 32.500 -0.397 0.000 0.732 591 K HN 0.340 nan 8.250 nan 0.000 0.451 592 K N 1.219 121.527 120.400 -0.152 0.000 2.062 592 K HA -0.079 4.236 4.320 -0.008 0.000 0.205 592 K C -0.027 176.526 176.600 -0.078 0.000 1.051 592 K CA 1.051 57.276 56.287 -0.103 0.000 0.941 592 K CB 0.371 32.813 32.500 -0.097 0.000 0.719 592 K HN 0.060 nan 8.250 nan 0.000 0.440 593 E N 0.165 120.318 120.200 -0.080 0.000 3.132 593 E HA 0.123 4.468 4.350 -0.008 0.000 0.241 593 E C -2.376 174.190 176.600 -0.057 0.000 1.196 593 E CA -1.594 54.773 56.400 -0.056 0.000 0.869 593 E CB 1.796 31.470 29.700 -0.044 0.000 1.387 593 E HN 0.110 nan 8.360 nan 0.000 0.393 594 P HA -0.176 nan 4.420 nan 0.000 0.216 594 P C 0.612 177.898 177.300 -0.024 0.000 1.153 594 P CA 1.084 64.155 63.100 -0.049 0.000 0.858 594 P CB 0.240 31.915 31.700 -0.040 0.000 0.789 595 N N -0.797 117.897 118.700 -0.010 0.000 2.362 595 N HA -0.005 4.730 4.740 -0.008 0.000 0.204 595 N C 0.499 176.027 175.510 0.031 0.000 1.166 595 N CA 0.351 53.408 53.050 0.012 0.000 0.831 595 N CB 0.054 38.547 38.487 0.011 0.000 1.008 595 N HN 0.218 nan 8.380 nan 0.000 0.472 596 K N 0.874 121.285 120.400 0.019 0.000 2.130 596 K HA 0.165 4.480 4.320 -0.008 0.000 0.268 596 K C -0.802 175.839 176.600 0.068 0.000 0.983 596 K CA -0.576 55.737 56.287 0.043 0.000 0.893 596 K CB 0.971 33.476 32.500 0.007 0.000 1.066 596 K HN -0.136 nan 8.250 nan 0.000 0.450 597 F N 4.250 124.187 119.950 -0.021 0.000 2.429 597 F HA 0.268 4.791 4.527 -0.008 0.000 0.348 597 F C -0.421 175.365 175.800 -0.023 0.000 1.109 597 F CA -0.062 57.927 58.000 -0.019 0.000 1.232 597 F CB 0.716 39.707 39.000 -0.015 0.000 1.157 597 F HN 0.197 nan 8.300 nan 0.000 0.564 598 V N 3.774 123.066 119.914 -1.036 0.000 2.932 598 V HA 0.495 4.610 4.120 -0.008 0.000 0.307 598 V C -0.896 174.601 176.094 -0.996 0.000 1.147 598 V CA -1.253 60.608 62.300 -0.731 0.000 0.951 598 V CB 0.801 32.404 31.823 -0.366 0.000 1.031 598 V HN 0.610 nan 8.190 nan 0.000 0.426 599 V N 4.660 124.252 119.914 -0.537 0.000 2.557 599 V HA 0.173 4.289 4.120 -0.008 0.000 0.301 599 V C -1.808 174.127 176.094 -0.265 0.000 1.026 599 V CA -0.227 61.896 62.300 -0.295 0.000 1.137 599 V CB 0.423 32.197 31.823 -0.083 0.000 0.917 599 V HN 0.905 nan 8.190 nan 0.000 0.484 600 P HA 0.375 nan 4.420 nan 0.000 0.271 600 P C -0.508 176.710 177.300 -0.137 0.000 1.216 600 P CA -0.091 62.928 63.100 -0.135 0.000 0.776 600 P CB 0.551 32.220 31.700 -0.052 0.000 0.881 601 R N 0.880 121.309 120.500 -0.119 0.000 2.698 601 R HA 0.596 4.932 4.340 -0.008 0.000 0.275 601 R C -0.929 175.329 176.300 -0.071 0.000 1.001 601 R CA -0.642 55.388 56.100 -0.117 0.000 0.896 601 R CB 1.951 32.162 30.300 -0.149 0.000 1.218 601 R HN 0.258 nan 8.270 nan 0.000 0.462 602 T N 1.884 116.409 114.554 -0.048 0.000 2.842 602 T HA 0.252 4.598 4.350 -0.008 0.000 0.308 602 T C -0.536 174.071 174.700 -0.154 0.000 1.041 602 T CA -0.501 61.530 62.100 -0.116 0.000 0.964 602 T CB 1.118 69.860 68.868 -0.211 0.000 0.972 602 T HN 0.134 nan 8.240 nan 0.000 0.460 603 V N 5.885 125.718 119.914 -0.136 0.000 2.385 603 V HA 0.404 4.519 4.120 -0.008 0.000 0.269 603 V C 0.086 176.094 176.094 -0.144 0.000 1.043 603 V CA -0.344 61.880 62.300 -0.125 0.000 0.906 603 V CB 0.585 32.351 31.823 -0.095 0.000 0.995 603 V HN 0.851 nan 8.190 nan 0.000 0.467 604 M N 6.681 126.183 119.600 -0.163 0.000 2.167 604 M HA 0.605 5.080 4.480 -0.008 0.000 0.333 604 M C -0.952 175.233 176.300 -0.192 0.000 1.030 604 M CA -0.127 55.068 55.300 -0.175 0.000 0.963 604 M CB 1.886 34.377 32.600 -0.183 0.000 1.589 604 M HN 0.423 nan 8.290 nan 0.000 0.431 605 I N 1.976 122.416 120.570 -0.217 0.000 2.498 605 I HA 0.808 4.974 4.170 -0.008 0.000 0.290 605 I C 0.058 175.853 176.117 -0.537 0.000 1.032 605 I CA -0.608 60.537 61.300 -0.258 0.000 1.073 605 I CB 2.294 40.230 38.000 -0.107 0.000 1.251 605 I HN 0.794 nan 8.210 nan 0.000 0.426 606 G N 3.021 111.467 108.800 -0.589 0.000 2.690 606 G HA2 0.834 4.789 3.960 -0.008 0.000 0.293 606 G HA3 0.834 4.789 3.960 -0.008 0.000 0.293 606 G C -1.036 173.565 174.900 -0.499 0.000 1.399 606 G CA -0.788 43.812 45.100 -0.834 0.000 0.890 606 G HN 0.977 nan 8.290 nan 0.000 0.485 607 G N -0.306 108.352 108.800 -0.237 0.000 2.352 607 G HA2 0.407 4.363 3.960 -0.008 0.000 0.303 607 G HA3 0.407 4.363 3.960 -0.008 0.000 0.303 607 G C -1.230 173.804 174.900 0.223 0.000 1.593 607 G CA -1.034 44.101 45.100 0.059 0.000 0.963 607 G HN 0.610 nan 8.290 nan 0.000 0.685 608 K N -0.097 120.428 120.400 0.209 0.000 2.098 608 K HA 0.763 5.079 4.320 -0.008 0.000 0.261 608 K C 0.236 176.961 176.600 0.208 0.000 0.987 608 K CA -0.215 56.214 56.287 0.237 0.000 0.916 608 K CB 2.049 34.596 32.500 0.080 0.000 1.039 608 K HN 0.869 nan 8.250 nan 0.000 0.455 609 A N 1.256 124.230 122.820 0.258 0.000 2.337 609 A HA 0.652 4.967 4.320 -0.008 0.000 0.329 609 A C -0.537 177.195 177.584 0.247 0.000 1.146 609 A CA -0.766 51.348 52.037 0.129 0.000 0.800 609 A CB 1.128 20.127 19.000 -0.002 0.000 1.220 609 A HN 0.767 nan 8.150 nan 0.000 0.472 610 A N 3.291 126.232 122.820 0.201 0.000 2.511 610 A HA 0.483 4.798 4.320 -0.008 0.000 0.242 610 A C -1.418 176.234 177.584 0.113 0.000 1.069 610 A CA -0.832 51.335 52.037 0.218 0.000 0.763 610 A CB -0.379 18.719 19.000 0.163 0.000 1.001 610 A HN 0.596 nan 8.150 nan 0.000 0.498 611 P HA -0.165 nan 4.420 nan 0.000 0.217 611 P C 1.290 178.578 177.300 -0.021 0.000 1.151 611 P CA 2.073 65.110 63.100 -0.106 0.000 0.849 611 P CB 0.206 31.793 31.700 -0.188 0.000 0.787 612 G N -3.092 105.720 108.800 0.019 0.000 3.189 612 G HA2 -0.069 3.887 3.960 -0.008 0.000 0.225 612 G HA3 -0.069 3.887 3.960 -0.008 0.000 0.225 612 G C -0.250 174.692 174.900 0.070 0.000 1.159 612 G CA -0.126 44.992 45.100 0.031 0.000 0.763 612 G HN 0.313 nan 8.290 nan 0.000 0.549 613 Y N 1.701 121.947 120.300 -0.090 0.000 2.691 613 Y HA 0.185 4.730 4.550 -0.008 0.000 0.338 613 Y C 1.645 177.532 175.900 -0.021 0.000 1.148 613 Y CA -1.095 56.937 58.100 -0.114 0.000 1.430 613 Y CB 0.089 38.439 38.460 -0.183 0.000 1.303 613 Y HN 0.316 nan 8.280 nan 0.000 0.499 614 H N 3.983 123.167 119.070 0.191 0.000 2.289 614 H HA -0.248 4.303 4.556 -0.008 0.000 0.296 614 H C 1.818 177.171 175.328 0.042 0.000 1.091 614 H CA 2.499 58.606 56.048 0.100 0.000 1.274 614 H CB 0.318 30.139 29.762 0.099 0.000 1.364 614 H HN 0.716 nan 8.280 nan 0.000 0.490 615 M N 1.043 120.632 119.600 -0.018 0.000 2.108 615 M HA -0.096 4.379 4.480 -0.008 0.000 0.261 615 M C 2.561 178.616 176.300 -0.409 0.000 1.066 615 M CA 1.899 57.107 55.300 -0.153 0.000 1.107 615 M CB -0.770 31.892 32.600 0.102 0.000 1.356 615 M HN 0.352 nan 8.290 nan 0.000 0.406 616 A N -0.523 121.799 122.820 -0.831 0.000 1.933 616 A HA -0.190 4.126 4.320 -0.008 0.000 0.218 616 A C 2.196 179.556 177.584 -0.374 0.000 1.175 616 A CA 1.845 53.421 52.037 -0.769 0.000 0.628 616 A CB -0.644 17.681 19.000 -1.126 0.000 0.814 616 A HN 0.595 nan 8.150 nan 0.000 0.444 617 K N -1.208 119.023 120.400 -0.281 0.000 2.217 617 K HA 0.013 4.328 4.320 -0.008 0.000 0.202 617 K C 1.811 178.337 176.600 -0.123 0.000 1.051 617 K CA 0.981 57.190 56.287 -0.129 0.000 0.952 617 K CB -0.151 32.339 32.500 -0.016 0.000 0.736 617 K HN 0.340 nan 8.250 nan 0.000 0.453 618 M N 0.477 119.956 119.600 -0.203 0.000 2.254 618 M HA -0.039 4.436 4.480 -0.008 0.000 0.265 618 M C 2.046 178.269 176.300 -0.128 0.000 1.066 618 M CA 1.318 56.545 55.300 -0.121 0.000 1.123 618 M CB -0.501 32.026 32.600 -0.121 0.000 1.388 618 M HN 0.115 nan 8.290 nan 0.000 0.425 619 I N -0.218 120.243 120.570 -0.182 0.000 2.315 619 I HA -0.292 3.874 4.170 -0.008 0.000 0.248 619 I C 2.258 178.239 176.117 -0.226 0.000 1.117 619 I CA 1.040 62.225 61.300 -0.192 0.000 1.404 619 I CB -0.288 37.601 38.000 -0.184 0.000 1.071 619 I HN 0.171 nan 8.210 nan 0.000 0.419 620 I N 0.732 121.147 120.570 -0.258 0.000 2.226 620 I HA -0.296 3.870 4.170 -0.008 0.000 0.245 620 I C 2.590 178.419 176.117 -0.480 0.000 1.100 620 I CA 1.218 62.276 61.300 -0.403 0.000 1.374 620 I CB -0.288 37.447 38.000 -0.441 0.000 1.057 620 I HN 0.153 nan 8.210 nan 0.000 0.413 621 K N 1.536 121.665 120.400 -0.452 0.000 2.097 621 K HA -0.138 4.177 4.320 -0.008 0.000 0.206 621 K C 2.026 178.461 176.600 -0.274 0.000 1.049 621 K CA 1.435 57.386 56.287 -0.560 0.000 0.933 621 K CB -0.508 31.410 32.500 -0.970 0.000 0.717 621 K HN 0.234 nan 8.250 nan 0.000 0.442 622 L N 0.343 121.423 121.223 -0.239 0.000 2.046 622 L HA -0.143 4.193 4.340 -0.008 0.000 0.208 622 L C 2.145 178.771 176.870 -0.406 0.000 1.077 622 L CA 1.570 56.103 54.840 -0.511 0.000 0.747 622 L CB -0.262 41.412 42.059 -0.642 0.000 0.896 622 L HN 0.260 nan 8.230 nan 0.000 0.432 623 I N -0.111 120.275 120.570 -0.306 0.000 2.127 623 I HA -0.342 3.824 4.170 -0.008 0.000 0.241 623 I C 2.628 178.634 176.117 -0.184 0.000 1.075 623 I CA 1.988 63.160 61.300 -0.212 0.000 1.334 623 I CB -0.657 37.296 38.000 -0.078 0.000 1.040 623 I HN 0.422 nan 8.210 nan 0.000 0.405 624 T N -0.719 113.699 114.554 -0.226 0.000 2.833 624 T HA -0.084 4.262 4.350 -0.008 0.000 0.269 624 T C 1.964 176.597 174.700 -0.111 0.000 1.054 624 T CA 0.967 62.968 62.100 -0.166 0.000 1.135 624 T CB -0.471 68.253 68.868 -0.239 0.000 0.869 624 T HN 0.353 nan 8.240 nan 0.000 0.466 625 A N 1.568 124.318 122.820 -0.117 0.000 1.898 625 A HA 0.145 4.460 4.320 -0.008 0.000 0.216 625 A C 2.387 179.981 177.584 0.017 0.000 1.181 625 A CA 1.281 53.321 52.037 0.005 0.000 0.620 625 A CB -0.800 18.290 19.000 0.150 0.000 0.819 625 A HN 0.592 nan 8.150 nan 0.000 0.442 626 I N -0.328 120.138 120.570 -0.173 0.000 2.226 626 I HA -0.188 3.977 4.170 -0.008 0.000 0.245 626 I C 2.683 178.751 176.117 -0.083 0.000 1.100 626 I CA 1.058 62.228 61.300 -0.217 0.000 1.374 626 I CB -0.593 37.161 38.000 -0.411 0.000 1.057 626 I HN 0.398 nan 8.210 nan 0.000 0.413 627 G N 0.486 109.233 108.800 -0.089 0.000 2.418 627 G HA2 -0.251 3.704 3.960 -0.008 0.000 0.217 627 G HA3 -0.251 3.704 3.960 -0.008 0.000 0.217 627 G C 1.248 176.124 174.900 -0.039 0.000 1.158 627 G CA 0.895 45.950 45.100 -0.075 0.000 0.771 627 G HN 0.275 nan 8.290 nan 0.000 0.545 628 D N 0.063 120.486 120.400 0.038 0.000 2.149 628 D HA -0.092 4.544 4.640 -0.008 0.000 0.198 628 D C 2.703 179.112 176.300 0.181 0.000 0.990 628 D CA 0.760 54.852 54.000 0.153 0.000 0.839 628 D CB -0.229 40.636 40.800 0.108 0.000 0.948 628 D HN 0.249 nan 8.370 nan 0.000 0.460 629 V N 0.146 120.106 119.914 0.076 0.000 2.331 629 V HA -0.136 3.979 4.120 -0.008 0.000 0.242 629 V C 2.605 178.652 176.094 -0.080 0.000 1.034 629 V CA 0.756 63.053 62.300 -0.005 0.000 1.027 629 V CB -0.314 31.488 31.823 -0.035 0.000 0.667 629 V HN 0.024 nan 8.190 nan 0.000 0.457 630 V N 0.994 120.796 119.914 -0.186 0.000 2.295 630 V HA -0.219 3.897 4.120 -0.008 0.000 0.246 630 V C 2.146 178.189 176.094 -0.085 0.000 1.049 630 V CA 2.059 64.242 62.300 -0.196 0.000 1.024 630 V CB -0.904 30.802 31.823 -0.196 0.000 0.648 630 V HN 0.569 nan 8.190 nan 0.000 0.447 631 N N -0.328 118.260 118.700 -0.186 0.000 2.520 631 N HA -0.092 4.643 4.740 -0.008 0.000 0.185 631 N C 1.146 176.382 175.510 -0.456 0.000 1.068 631 N CA 0.945 53.798 53.050 -0.329 0.000 0.911 631 N CB -0.276 37.938 38.487 -0.456 0.000 0.961 631 N HN 0.705 nan 8.380 nan 0.000 0.446 632 H N -1.599 117.482 119.070 0.019 0.000 2.785 632 H HA 0.192 4.743 4.556 -0.007 0.000 0.268 632 H C -0.545 174.807 175.328 0.039 0.000 1.153 632 H CA -0.502 55.560 56.048 0.023 0.000 1.111 632 H CB 0.693 30.458 29.762 0.005 0.000 1.633 632 H HN -0.019 nan 8.280 nan 0.000 0.576 633 D N 1.753 122.236 120.400 0.139 0.000 2.339 633 D HA 0.045 4.681 4.640 -0.008 0.000 0.241 633 D C -1.663 174.705 176.300 0.113 0.000 1.183 633 D CA -2.050 52.044 54.000 0.157 0.000 0.859 633 D CB 1.634 42.605 40.800 0.284 0.000 1.067 633 D HN 0.086 nan 8.370 nan 0.000 0.484 634 P HA -0.173 nan 4.420 nan 0.000 0.216 634 P C 1.609 178.938 177.300 0.048 0.000 1.153 634 P CA 0.592 63.728 63.100 0.060 0.000 0.858 634 P CB 0.370 32.099 31.700 0.048 0.000 0.789 635 V N -0.751 119.190 119.914 0.045 0.000 2.469 635 V HA -0.185 3.930 4.120 -0.008 0.000 0.251 635 V C 2.377 178.481 176.094 0.016 0.000 1.064 635 V CA 1.615 63.927 62.300 0.020 0.000 1.066 635 V CB -1.043 30.779 31.823 -0.001 0.000 0.667 635 V HN -0.001 nan 8.190 nan 0.000 0.461 636 V N -0.400 119.542 119.914 0.047 0.000 2.488 636 V HA 0.156 4.272 4.120 -0.008 0.000 0.246 636 V C 1.793 177.903 176.094 0.026 0.000 1.046 636 V CA 1.382 63.709 62.300 0.044 0.000 1.053 636 V CB -1.107 30.789 31.823 0.121 0.000 0.679 636 V HN 0.729 nan 8.190 nan 0.000 0.458 637 G N 1.637 110.458 108.800 0.036 0.000 2.574 637 G HA2 -0.402 3.554 3.960 -0.008 0.000 0.286 637 G HA3 -0.402 3.554 3.960 -0.008 0.000 0.286 637 G C 0.238 175.154 174.900 0.026 0.000 1.212 637 G CA 0.592 45.711 45.100 0.032 0.000 0.979 637 G HN 0.730 nan 8.290 nan 0.000 0.557 638 D N -0.079 120.338 120.400 0.027 0.000 2.358 638 D HA 0.332 4.967 4.640 -0.008 0.000 0.224 638 D C 1.849 178.148 176.300 -0.001 0.000 1.123 638 D CA 0.232 54.247 54.000 0.025 0.000 0.833 638 D CB 0.136 40.967 40.800 0.050 0.000 0.946 638 D HN 0.582 nan 8.370 nan 0.000 0.505 639 R N -0.631 119.857 120.500 -0.019 0.000 2.161 639 R HA 0.270 4.606 4.340 -0.008 0.000 0.213 639 R C -0.149 176.110 176.300 -0.069 0.000 1.055 639 R CA 0.291 56.355 56.100 -0.061 0.000 0.996 639 R CB 0.190 30.438 30.300 -0.086 0.000 0.901 639 R HN 0.177 nan 8.270 nan 0.000 0.456 640 L N 0.439 121.637 121.223 -0.040 0.000 2.505 640 L HA 0.419 4.755 4.340 -0.008 0.000 0.266 640 L C -1.633 175.211 176.870 -0.044 0.000 0.954 640 L CA -0.546 54.267 54.840 -0.045 0.000 0.852 640 L CB 1.866 43.913 42.059 -0.021 0.000 1.282 640 L HN -0.143 nan 8.230 nan 0.000 0.403 641 R N 3.967 124.426 120.500 -0.069 0.000 2.574 641 R HA 0.717 5.053 4.340 -0.008 0.000 0.288 641 R C -1.688 174.551 176.300 -0.101 0.000 1.004 641 R CA -0.761 55.288 56.100 -0.086 0.000 0.895 641 R CB 2.412 32.658 30.300 -0.090 0.000 1.191 641 R HN 0.417 nan 8.270 nan 0.000 0.444 642 V N 5.241 125.093 119.914 -0.103 0.000 2.326 642 V HA 0.436 4.552 4.120 -0.008 0.000 0.281 642 V C -0.213 175.832 176.094 -0.081 0.000 1.015 642 V CA -0.651 61.590 62.300 -0.098 0.000 0.823 642 V CB 1.386 33.148 31.823 -0.101 0.000 1.009 642 V HN 0.531 nan 8.190 nan 0.000 0.436 643 I N 4.868 125.389 120.570 -0.083 0.000 2.474 643 I HA 0.454 4.619 4.170 -0.008 0.000 0.294 643 I C -0.614 175.484 176.117 -0.032 0.000 1.005 643 I CA -0.389 60.876 61.300 -0.058 0.000 1.113 643 I CB 1.856 39.797 38.000 -0.098 0.000 1.289 643 I HN 0.549 nan 8.210 nan 0.000 0.436 644 F N 7.279 127.163 119.950 -0.110 0.000 2.361 644 F HA 0.480 5.003 4.527 -0.007 0.000 0.364 644 F C -0.677 175.058 175.800 -0.107 0.000 1.120 644 F CA -0.796 57.139 58.000 -0.107 0.000 1.102 644 F CB 0.620 39.559 39.000 -0.102 0.000 1.183 644 F HN 0.131 nan 8.300 nan 0.000 0.476 645 L N 5.943 126.766 121.223 -0.667 0.000 2.485 645 L HA 0.129 4.464 4.340 -0.008 0.000 0.279 645 L C 0.399 176.973 176.870 -0.492 0.000 1.124 645 L CA 0.258 54.830 54.840 -0.447 0.000 0.888 645 L CB -0.117 41.764 42.059 -0.297 0.000 1.217 645 L HN 0.631 nan 8.230 nan 0.000 0.464 646 E N 3.206 123.260 120.200 -0.242 0.000 2.373 646 E HA -0.030 4.316 4.350 -0.008 0.000 0.267 646 E C 0.549 177.181 176.600 0.054 0.000 1.032 646 E CA -0.242 56.155 56.400 -0.005 0.000 0.889 646 E CB 0.317 29.977 29.700 -0.067 0.000 0.984 646 E HN 0.535 nan 8.360 nan 0.000 0.425 647 N N 2.494 121.301 118.700 0.178 0.000 2.714 647 N HA -0.290 4.445 4.740 -0.008 0.000 0.252 647 N C -1.522 174.076 175.510 0.147 0.000 1.014 647 N CA 0.548 53.704 53.050 0.176 0.000 0.735 647 N CB -1.442 37.168 38.487 0.204 0.000 0.924 647 N HN 0.455 nan 8.380 nan 0.000 0.540 648 Y N 1.427 121.726 120.300 -0.001 0.000 2.721 648 Y HA 0.161 4.706 4.550 -0.008 0.000 0.329 648 Y C 1.119 177.034 175.900 0.025 0.000 1.211 648 Y CA 0.532 58.620 58.100 -0.021 0.000 1.512 648 Y CB 0.294 38.709 38.460 -0.074 0.000 1.249 648 Y HN 0.386 nan 8.280 nan 0.000 0.549 649 R N 2.503 122.675 120.500 -0.546 0.000 2.781 649 R HA 0.497 4.832 4.340 -0.008 0.000 0.268 649 R C -0.312 175.652 176.300 -0.559 0.000 1.047 649 R CA -0.628 55.219 56.100 -0.422 0.000 0.925 649 R CB 0.351 30.595 30.300 -0.092 0.000 1.246 649 R HN 0.346 nan 8.270 nan 0.000 0.456 650 V N 1.069 120.694 119.914 -0.482 0.000 2.252 650 V HA -0.303 3.812 4.120 -0.008 0.000 0.249 650 V C 2.574 178.544 176.094 -0.207 0.000 1.056 650 V CA 2.862 64.940 62.300 -0.370 0.000 1.022 650 V CB -0.851 30.723 31.823 -0.416 0.000 0.641 650 V HN 0.941 nan 8.190 nan 0.000 0.445 651 S N 0.105 115.705 115.700 -0.166 0.000 2.400 651 S HA -0.193 4.272 4.470 -0.008 0.000 0.232 651 S C 1.914 176.463 174.600 -0.085 0.000 1.025 651 S CA 1.762 59.894 58.200 -0.113 0.000 0.993 651 S CB -0.548 62.619 63.200 -0.055 0.000 0.808 651 S HN 0.402 nan 8.310 nan 0.000 0.478 652 L N 1.855 123.030 121.223 -0.079 0.000 2.179 652 L HA 0.358 4.694 4.340 -0.008 0.000 0.208 652 L C 2.635 179.501 176.870 -0.006 0.000 1.096 652 L CA 1.309 56.139 54.840 -0.017 0.000 0.779 652 L CB -1.270 40.832 42.059 0.072 0.000 0.922 652 L HN 0.336 nan 8.230 nan 0.000 0.443 653 A N -0.594 122.204 122.820 -0.037 0.000 1.902 653 A HA -0.234 4.081 4.320 -0.008 0.000 0.217 653 A C 2.118 179.757 177.584 0.091 0.000 1.181 653 A CA 1.812 53.909 52.037 0.100 0.000 0.623 653 A CB -0.623 18.429 19.000 0.086 0.000 0.818 653 A HN 0.594 nan 8.150 nan 0.000 0.443 654 E N -0.424 119.808 120.200 0.054 0.000 2.265 654 E HA -0.171 4.174 4.350 -0.008 0.000 0.196 654 E C 1.849 178.405 176.600 -0.074 0.000 0.996 654 E CA 1.207 57.592 56.400 -0.027 0.000 0.832 654 E CB -0.054 29.539 29.700 -0.179 0.000 0.756 654 E HN 0.631 nan 8.360 nan 0.000 0.491 655 K N -0.092 120.242 120.400 -0.110 0.000 2.141 655 K HA -0.004 4.312 4.320 -0.008 0.000 0.202 655 K C 2.175 178.553 176.600 -0.371 0.000 1.045 655 K CA 0.800 56.994 56.287 -0.155 0.000 0.971 655 K CB 0.339 32.748 32.500 -0.152 0.000 0.795 655 K HN -0.023 nan 8.250 nan 0.000 0.459 656 V N 1.428 121.035 119.914 -0.511 0.000 2.379 656 V HA -0.174 3.941 4.120 -0.008 0.000 0.245 656 V C 2.222 178.062 176.094 -0.423 0.000 1.044 656 V CA 1.322 63.130 62.300 -0.820 0.000 1.036 656 V CB -0.697 30.807 31.823 -0.532 0.000 0.664 656 V HN 0.197 nan 8.190 nan 0.000 0.453 657 I N 0.744 121.114 120.570 -0.332 0.000 2.163 657 I HA -0.167 3.998 4.170 -0.008 0.000 0.243 657 I C -0.123 175.868 176.117 -0.210 0.000 1.085 657 I CA 1.864 62.897 61.300 -0.444 0.000 1.347 657 I CB -1.551 36.069 38.000 -0.632 0.000 1.044 657 I HN 0.354 nan 8.210 nan 0.000 0.408 658 P HA -0.096 nan 4.420 nan 0.000 0.222 658 P C 0.939 178.230 177.300 -0.016 0.000 1.147 658 P CA 1.213 64.282 63.100 -0.051 0.000 0.790 658 P CB 0.060 31.739 31.700 -0.036 0.000 0.780 659 A N -1.299 121.495 122.820 -0.044 0.000 2.275 659 A HA 0.497 4.812 4.320 -0.008 0.000 0.212 659 A C 1.115 178.805 177.584 0.177 0.000 1.201 659 A CA 0.048 52.119 52.037 0.057 0.000 0.843 659 A CB -0.613 18.437 19.000 0.083 0.000 0.873 659 A HN 0.187 nan 8.150 nan 0.000 0.492 660 A N -0.282 122.636 122.820 0.163 0.000 2.316 660 A HA 0.513 4.828 4.320 -0.008 0.000 0.284 660 A C 0.315 178.044 177.584 0.240 0.000 1.115 660 A CA -0.217 51.979 52.037 0.266 0.000 0.812 660 A CB 0.438 19.677 19.000 0.398 0.000 1.064 660 A HN 0.250 nan 8.150 nan 0.000 0.489 661 D N 0.232 120.770 120.400 0.230 0.000 2.525 661 D HA 0.133 4.768 4.640 -0.008 0.000 0.248 661 D C -0.009 176.496 176.300 0.342 0.000 1.000 661 D CA 0.654 54.836 54.000 0.304 0.000 0.923 661 D CB 0.299 41.188 40.800 0.148 0.000 1.101 661 D HN 0.349 nan 8.370 nan 0.000 0.493 662 L N 1.248 122.559 121.223 0.146 0.000 2.349 662 L HA 0.301 4.636 4.340 -0.008 0.000 0.278 662 L C -0.732 176.022 176.870 -0.194 0.000 0.996 662 L CA -0.288 54.562 54.840 0.017 0.000 0.825 662 L CB 2.029 44.069 42.059 -0.031 0.000 1.243 662 L HN -0.168 nan 8.230 nan 0.000 0.412 663 S N 4.293 119.795 115.700 -0.330 0.000 2.422 663 S HA 0.315 4.780 4.470 -0.008 0.000 0.308 663 S C -0.377 173.950 174.600 -0.455 0.000 1.097 663 S CA -0.693 57.072 58.200 -0.726 0.000 1.099 663 S CB 0.644 63.364 63.200 -0.800 0.000 0.976 663 S HN 0.543 nan 8.310 nan 0.000 0.471 664 E N 4.162 124.100 120.200 -0.437 0.000 2.044 664 E HA 0.196 4.541 4.350 -0.008 0.000 0.282 664 E C -0.543 175.938 176.600 -0.198 0.000 1.031 664 E CA -0.395 55.872 56.400 -0.223 0.000 0.824 664 E CB 0.928 30.526 29.700 -0.170 0.000 1.076 664 E HN 0.591 nan 8.360 nan 0.000 0.395 665 Q N 2.747 122.485 119.800 -0.102 0.000 2.965 665 Q HA 0.267 4.602 4.340 -0.008 0.000 0.288 665 Q C 0.584 176.568 176.000 -0.027 0.000 0.974 665 Q CA -0.148 55.611 55.803 -0.074 0.000 0.849 665 Q CB 0.223 28.933 28.738 -0.048 0.000 1.280 665 Q HN 0.607 nan 8.270 nan 0.000 0.441 666 I N -1.518 119.021 120.570 -0.052 0.000 3.637 666 I HA 0.291 4.457 4.170 -0.008 0.000 0.342 666 I C 0.318 176.373 176.117 -0.104 0.000 1.545 666 I CA -0.663 60.611 61.300 -0.043 0.000 1.126 666 I CB 0.315 38.288 38.000 -0.046 0.000 1.375 666 I HN -0.010 nan 8.210 nan 0.000 0.467 667 S N 0.246 115.887 115.700 -0.098 0.000 2.585 667 S HA 0.258 4.724 4.470 -0.008 0.000 0.273 667 S C 0.541 175.109 174.600 -0.054 0.000 1.339 667 S CA -0.346 57.812 58.200 -0.070 0.000 1.028 667 S CB 0.626 63.834 63.200 0.014 0.000 0.906 667 S HN 0.388 nan 8.310 nan 0.000 0.528 668 T N 2.662 117.213 114.554 -0.004 0.000 2.902 668 T HA 0.386 4.732 4.350 -0.008 0.000 0.301 668 T C 0.741 175.438 174.700 -0.005 0.000 1.012 668 T CA 0.226 62.332 62.100 0.010 0.000 1.151 668 T CB 0.026 68.972 68.868 0.130 0.000 0.946 668 T HN 1.003 nan 8.240 nan 0.000 0.542 669 A N 2.688 125.477 122.820 -0.051 0.000 2.580 669 A HA 0.442 4.757 4.320 -0.008 0.000 0.244 669 A C 1.654 179.224 177.584 -0.023 0.000 1.045 669 A CA 0.329 52.334 52.037 -0.053 0.000 0.761 669 A CB -0.918 18.040 19.000 -0.071 0.000 0.962 669 A HN 1.699 nan 8.150 nan 0.000 0.512 670 G N 1.405 110.190 108.800 -0.025 0.000 2.175 670 G HA2 -0.256 3.699 3.960 -0.008 0.000 0.244 670 G HA3 -0.256 3.699 3.960 -0.008 0.000 0.244 670 G C 0.930 175.808 174.900 -0.035 0.000 0.982 670 G CA 1.147 46.234 45.100 -0.022 0.000 0.641 670 G HN 2.000 nan 8.290 nan 0.000 0.527 671 T N -2.386 112.143 114.554 -0.042 0.000 3.034 671 T HA 0.389 4.734 4.350 -0.008 0.000 0.248 671 T C 0.805 175.340 174.700 -0.275 0.000 1.040 671 T CA 1.133 63.139 62.100 -0.157 0.000 1.107 671 T CB 0.489 69.301 68.868 -0.092 0.000 0.932 671 T HN 0.266 nan 8.240 nan 0.000 0.474 672 E N 1.549 121.719 120.200 -0.051 0.000 2.001 672 E HA 0.660 5.006 4.350 -0.008 0.000 0.279 672 E C 1.196 177.740 176.600 -0.094 0.000 1.045 672 E CA 0.042 56.458 56.400 0.026 0.000 0.833 672 E CB 0.634 30.406 29.700 0.120 0.000 1.077 672 E HN 0.350 nan 8.360 nan 0.000 0.397 673 A N 3.377 126.063 122.820 -0.224 0.000 1.915 673 A HA -0.272 4.043 4.320 -0.008 0.000 0.220 673 A C 1.986 179.435 177.584 -0.225 0.000 1.198 673 A CA 2.491 54.257 52.037 -0.452 0.000 0.647 673 A CB -0.295 18.241 19.000 -0.774 0.000 0.825 673 A HN 0.617 nan 8.150 nan 0.000 0.456 674 S N -4.236 111.398 115.700 -0.109 0.000 4.193 674 S HA 0.447 4.912 4.470 -0.008 0.000 0.211 674 S C 0.654 175.246 174.600 -0.013 0.000 1.162 674 S CA 1.353 59.536 58.200 -0.028 0.000 1.039 674 S CB -0.137 63.071 63.200 0.013 0.000 1.371 674 S HN 2.357 nan 8.310 nan 0.000 0.550 675 G N 0.383 109.182 108.800 -0.002 0.000 2.721 675 G HA2 -0.014 3.941 3.960 -0.008 0.000 0.686 675 G HA3 -0.014 3.941 3.960 -0.008 0.000 0.686 675 G C 0.229 175.117 174.900 -0.020 0.000 1.236 675 G CA 0.442 45.539 45.100 -0.005 0.000 0.786 675 G HN 1.351 nan 8.290 nan 0.000 0.616 676 T N -1.631 112.898 114.554 -0.041 0.000 3.010 676 T HA 0.373 4.718 4.350 -0.008 0.000 0.253 676 T C 2.392 177.003 174.700 -0.148 0.000 0.939 676 T CA 1.241 63.290 62.100 -0.086 0.000 0.910 676 T CB 0.300 69.109 68.868 -0.099 0.000 1.226 676 T HN 1.871 nan 8.240 nan 0.000 0.508 677 G N 3.112 111.850 108.800 -0.102 0.000 2.442 677 G HA2 -0.272 3.684 3.960 -0.008 0.000 0.219 677 G HA3 -0.272 3.684 3.960 -0.008 0.000 0.219 677 G C 1.458 176.416 174.900 0.095 0.000 1.141 677 G CA 1.183 46.243 45.100 -0.066 0.000 0.763 677 G HN 0.832 nan 8.290 nan 0.000 0.554 678 N N 0.149 118.883 118.700 0.056 0.000 2.149 678 N HA -0.148 4.587 4.740 -0.008 0.000 0.188 678 N C 2.210 177.731 175.510 0.020 0.000 1.019 678 N CA 1.350 54.436 53.050 0.060 0.000 0.857 678 N CB -0.360 38.112 38.487 -0.024 0.000 0.997 678 N HN 0.348 nan 8.380 nan 0.000 0.426 679 M N 0.758 120.305 119.600 -0.088 0.000 2.175 679 M HA -0.021 4.454 4.480 -0.008 0.000 0.264 679 M C 2.001 178.261 176.300 -0.067 0.000 1.063 679 M CA 1.394 56.627 55.300 -0.113 0.000 1.119 679 M CB -0.080 32.464 32.600 -0.094 0.000 1.377 679 M HN 0.107 nan 8.290 nan 0.000 0.415 680 K N 0.130 120.421 120.400 -0.182 0.000 2.026 680 K HA -0.117 4.198 4.320 -0.008 0.000 0.208 680 K C 1.715 178.203 176.600 -0.188 0.000 1.048 680 K CA 1.435 57.547 56.287 -0.292 0.000 0.929 680 K CB -0.302 31.798 32.500 -0.666 0.000 0.713 680 K HN 0.150 nan 8.250 nan 0.000 0.439 681 F N 1.082 120.966 119.950 -0.110 0.000 2.171 681 F HA -0.129 4.392 4.527 -0.008 0.000 0.300 681 F C 2.547 178.320 175.800 -0.044 0.000 1.090 681 F CA 1.203 59.160 58.000 -0.071 0.000 1.293 681 F CB -0.289 38.657 39.000 -0.090 0.000 1.013 681 F HN 0.011 nan 8.300 nan 0.000 0.486 682 M N -0.570 119.113 119.600 0.139 0.000 2.175 682 M HA -0.165 4.310 4.480 -0.008 0.000 0.264 682 M C 2.006 178.360 176.300 0.090 0.000 1.063 682 M CA 1.478 56.832 55.300 0.089 0.000 1.119 682 M CB -0.163 32.483 32.600 0.078 0.000 1.377 682 M HN 0.250 nan 8.290 nan 0.000 0.415 683 L N 0.738 122.012 121.223 0.086 0.000 2.291 683 L HA -0.029 4.307 4.340 -0.008 0.000 0.214 683 L C 1.163 178.079 176.870 0.077 0.000 1.120 683 L CA 1.507 56.404 54.840 0.096 0.000 0.799 683 L CB -0.537 41.590 42.059 0.112 0.000 0.925 683 L HN 0.332 nan 8.230 nan 0.000 0.446 684 N N -0.073 118.662 118.700 0.059 0.000 2.279 684 N HA 0.181 4.917 4.740 -0.008 0.000 0.226 684 N C 0.836 176.381 175.510 0.060 0.000 1.126 684 N CA 0.763 53.841 53.050 0.046 0.000 0.846 684 N CB 0.513 39.004 38.487 0.007 0.000 1.050 684 N HN 0.388 nan 8.380 nan 0.000 0.502 685 G N 0.480 109.321 108.800 0.067 0.000 2.137 685 G HA2 -0.218 3.737 3.960 -0.008 0.000 0.237 685 G HA3 -0.218 3.737 3.960 -0.008 0.000 0.237 685 G C 0.014 174.984 174.900 0.118 0.000 1.002 685 G CA 0.194 45.337 45.100 0.073 0.000 0.702 685 G HN 0.536 nan 8.290 nan 0.000 0.515 686 A N -0.521 122.376 122.820 0.127 0.000 2.325 686 A HA 0.881 5.196 4.320 -0.008 0.000 0.333 686 A C -0.086 177.503 177.584 0.009 0.000 1.155 686 A CA -0.648 51.482 52.037 0.155 0.000 0.814 686 A CB 1.330 20.484 19.000 0.256 0.000 1.206 686 A HN 0.735 nan 8.150 nan 0.000 0.482 687 L N 0.862 122.055 121.223 -0.049 0.000 2.399 687 L HA 0.535 4.870 4.340 -0.008 0.000 0.266 687 L C 0.606 177.343 176.870 -0.223 0.000 1.114 687 L CA 0.597 55.297 54.840 -0.234 0.000 0.804 687 L CB 1.520 43.337 42.059 -0.405 0.000 1.146 687 L HN 0.742 nan 8.230 nan 0.000 0.451 688 T N 3.890 118.180 114.554 -0.440 0.000 2.797 688 T HA 0.540 4.885 4.350 -0.008 0.000 0.279 688 T C -0.407 174.163 174.700 -0.216 0.000 0.991 688 T CA -0.211 61.618 62.100 -0.451 0.000 0.979 688 T CB 1.029 69.431 68.868 -0.776 0.000 0.943 688 T HN 0.441 nan 8.240 nan 0.000 0.444 689 I N 2.790 123.334 120.570 -0.044 0.000 2.389 689 I HA 0.734 4.899 4.170 -0.008 0.000 0.288 689 I C 0.011 176.280 176.117 0.253 0.000 0.999 689 I CA 0.038 61.432 61.300 0.156 0.000 1.129 689 I CB 0.468 38.487 38.000 0.032 0.000 1.288 689 I HN 0.803 nan 8.210 nan 0.000 0.444 690 G N 3.947 112.987 108.800 0.401 0.000 2.550 690 G HA2 0.436 4.391 3.960 -0.008 0.000 0.293 690 G HA3 0.436 4.391 3.960 -0.008 0.000 0.293 690 G C -0.971 173.885 174.900 -0.072 0.000 1.402 690 G CA -0.319 44.935 45.100 0.256 0.000 0.784 690 G HN 0.577 nan 8.290 nan 0.000 0.482 691 T N -1.565 112.813 114.554 -0.293 0.000 2.902 691 T HA 0.540 4.885 4.350 -0.008 0.000 0.280 691 T C 0.678 175.268 174.700 -0.184 0.000 0.992 691 T CA -0.702 61.144 62.100 -0.423 0.000 1.015 691 T CB 1.238 69.858 68.868 -0.414 0.000 1.044 691 T HN 0.269 nan 8.240 nan 0.000 0.520 692 M N 2.888 122.386 119.600 -0.168 0.000 3.436 692 M HA 0.320 4.795 4.480 -0.008 0.000 0.240 692 M C -0.461 175.784 176.300 -0.092 0.000 1.469 692 M CA -0.051 55.183 55.300 -0.109 0.000 1.622 692 M CB -1.751 30.791 32.600 -0.096 0.000 1.098 692 M HN 0.730 nan 8.290 nan 0.000 0.568 693 D N -0.084 120.268 120.400 -0.080 0.000 2.601 693 D HA 0.677 5.313 4.640 -0.008 0.000 0.230 693 D C 0.768 177.043 176.300 -0.041 0.000 1.106 693 D CA 0.689 54.654 54.000 -0.057 0.000 0.873 693 D CB 1.747 42.514 40.800 -0.055 0.000 1.515 693 D HN 0.590 nan 8.370 nan 0.000 0.468 694 G N 1.683 110.467 108.800 -0.027 0.000 2.627 694 G HA2 -0.281 3.674 3.960 -0.008 0.000 0.312 694 G HA3 -0.281 3.674 3.960 -0.008 0.000 0.312 694 G C 1.078 175.970 174.900 -0.014 0.000 1.299 694 G CA 1.272 46.362 45.100 -0.017 0.000 0.989 694 G HN 1.048 nan 8.290 nan 0.000 0.547 695 A N -0.382 122.427 122.820 -0.019 0.000 2.168 695 A HA 0.060 4.375 4.320 -0.008 0.000 0.215 695 A C 2.131 179.648 177.584 -0.111 0.000 1.152 695 A CA 1.928 53.948 52.037 -0.029 0.000 0.716 695 A CB -0.462 18.512 19.000 -0.042 0.000 0.794 695 A HN 0.630 nan 8.150 nan 0.000 0.465 696 N N 0.537 119.180 118.700 -0.096 0.000 2.137 696 N HA -0.152 4.583 4.740 -0.008 0.000 0.190 696 N C 1.585 176.965 175.510 -0.218 0.000 1.017 696 N CA 1.600 54.585 53.050 -0.108 0.000 0.859 696 N CB -0.643 37.835 38.487 -0.015 0.000 1.002 696 N HN 0.300 nan 8.380 nan 0.000 0.428 697 V N 1.304 121.134 119.914 -0.139 0.000 2.287 697 V HA -0.216 3.899 4.120 -0.008 0.000 0.248 697 V C 1.978 177.992 176.094 -0.132 0.000 1.053 697 V CA 1.697 63.914 62.300 -0.139 0.000 1.027 697 V CB -0.508 31.270 31.823 -0.075 0.000 0.646 697 V HN 0.354 nan 8.190 nan 0.000 0.447 698 E N -0.537 119.640 120.200 -0.038 0.000 2.152 698 E HA -0.139 4.207 4.350 -0.008 0.000 0.192 698 E C 2.214 178.909 176.600 0.160 0.000 0.983 698 E CA 1.089 57.545 56.400 0.095 0.000 0.818 698 E CB -0.198 29.654 29.700 0.253 0.000 0.758 698 E HN 0.543 nan 8.360 nan 0.000 0.467 699 M N 0.553 120.110 119.600 -0.072 0.000 2.086 699 M HA -0.144 4.331 4.480 -0.008 0.000 0.261 699 M C 2.513 178.534 176.300 -0.465 0.000 1.067 699 M CA 1.587 56.753 55.300 -0.223 0.000 1.116 699 M CB -0.217 32.136 32.600 -0.413 0.000 1.348 699 M HN 0.138 nan 8.290 nan 0.000 0.407 700 A N -0.183 122.063 122.820 -0.957 0.000 1.933 700 A HA -0.214 4.102 4.320 -0.008 0.000 0.218 700 A C 1.993 179.353 177.584 -0.372 0.000 1.175 700 A CA 1.931 53.355 52.037 -1.021 0.000 0.628 700 A CB -0.796 17.667 19.000 -0.894 0.000 0.814 700 A HN 0.589 nan 8.150 nan 0.000 0.444 701 E N -0.439 119.623 120.200 -0.230 0.000 2.110 701 E HA -0.204 4.141 4.350 -0.008 0.000 0.193 701 E C 1.769 178.336 176.600 -0.055 0.000 0.988 701 E CA 1.196 57.531 56.400 -0.107 0.000 0.804 701 E CB -0.047 29.614 29.700 -0.065 0.000 0.745 701 E HN 0.554 nan 8.360 nan 0.000 0.458 702 E N 0.025 120.220 120.200 -0.008 0.000 2.072 702 E HA -0.110 4.235 4.350 -0.008 0.000 0.190 702 E C 1.815 178.437 176.600 0.037 0.000 0.982 702 E CA 1.110 57.535 56.400 0.040 0.000 0.803 702 E CB -0.113 29.675 29.700 0.148 0.000 0.755 702 E HN 0.343 nan 8.360 nan 0.000 0.453 703 A N 0.347 123.191 122.820 0.039 0.000 2.132 703 A HA 0.355 4.670 4.320 -0.008 0.000 0.213 703 A C 1.009 178.609 177.584 0.026 0.000 1.154 703 A CA 1.027 53.105 52.037 0.067 0.000 0.753 703 A CB 0.067 19.168 19.000 0.168 0.000 0.826 703 A HN 0.240 nan 8.150 nan 0.000 0.469 704 G N -0.388 108.399 108.800 -0.023 0.000 3.055 704 G HA2 -0.093 3.862 3.960 -0.008 0.000 0.686 704 G HA3 -0.093 3.862 3.960 -0.008 0.000 0.686 704 G C -0.037 174.842 174.900 -0.035 0.000 1.087 704 G CA -0.037 45.043 45.100 -0.032 0.000 0.779 704 G HN 0.269 nan 8.290 nan 0.000 0.599 705 E N 1.049 121.215 120.200 -0.056 0.000 2.267 705 E HA -0.165 4.181 4.350 -0.008 0.000 0.197 705 E C 1.953 178.535 176.600 -0.030 0.000 0.998 705 E CA 1.712 58.087 56.400 -0.042 0.000 0.830 705 E CB 0.080 29.752 29.700 -0.046 0.000 0.751 705 E HN 0.776 nan 8.360 nan 0.000 0.491 706 E N 0.780 120.951 120.200 -0.048 0.000 2.347 706 E HA -0.072 4.273 4.350 -0.008 0.000 0.196 706 E C 0.947 177.455 176.600 -0.153 0.000 1.008 706 E CA 0.593 56.943 56.400 -0.085 0.000 0.852 706 E CB -0.005 29.660 29.700 -0.059 0.000 0.783 706 E HN 0.163 nan 8.360 nan 0.000 0.505 707 N N -0.259 118.382 118.700 -0.100 0.000 2.251 707 N HA 0.150 4.885 4.740 -0.008 0.000 0.217 707 N C -0.969 174.457 175.510 -0.141 0.000 1.124 707 N CA 0.083 53.045 53.050 -0.145 0.000 0.843 707 N CB 0.397 38.859 38.487 -0.043 0.000 1.024 707 N HN 0.042 nan 8.380 nan 0.000 0.501 708 F N -0.369 119.345 119.950 -0.393 0.000 2.588 708 F HA 0.409 4.931 4.527 -0.009 0.000 0.310 708 F C -0.808 174.729 175.800 -0.439 0.000 1.082 708 F CA -1.102 56.700 58.000 -0.329 0.000 0.929 708 F CB 1.351 40.262 39.000 -0.149 0.000 1.254 708 F HN -0.215 nan 8.300 nan 0.000 0.455 709 F N 5.304 125.256 119.950 0.003 0.000 2.359 709 F HA 0.380 4.902 4.527 -0.008 0.000 0.355 709 F C -0.254 175.676 175.800 0.217 0.000 1.132 709 F CA -0.574 57.464 58.000 0.063 0.000 1.246 709 F CB -0.066 38.913 39.000 -0.036 0.000 1.569 709 F HN -0.004 nan 8.300 nan 0.000 0.561 710 I N 3.982 124.752 120.570 0.334 0.000 2.396 710 I HA 0.378 4.544 4.170 -0.008 0.000 0.292 710 I C -0.065 176.244 176.117 0.320 0.000 0.999 710 I CA -0.638 60.831 61.300 0.280 0.000 1.310 710 I CB 0.729 38.814 38.000 0.141 0.000 1.404 710 I HN 0.352 nan 8.210 nan 0.000 0.496 711 F N 2.451 122.461 119.950 0.101 0.000 2.789 711 F HA 0.851 5.373 4.527 -0.008 0.000 0.319 711 F C 0.031 175.867 175.800 0.060 0.000 1.168 711 F CA -0.512 57.538 58.000 0.084 0.000 0.934 711 F CB 0.909 39.974 39.000 0.108 0.000 1.375 711 F HN 0.802 nan 8.300 nan 0.000 0.480 712 G N 0.793 109.608 108.800 0.025 0.000 2.782 712 G HA2 -0.096 3.860 3.960 -0.008 0.000 0.228 712 G HA3 -0.096 3.860 3.960 -0.008 0.000 0.228 712 G C -0.828 174.019 174.900 -0.088 0.000 1.372 712 G CA -0.511 44.534 45.100 -0.091 0.000 0.862 712 G HN 0.947 nan 8.290 nan 0.000 0.547 713 M N 0.067 119.629 119.600 -0.063 0.000 2.248 713 M HA 0.392 4.867 4.480 -0.008 0.000 0.337 713 M C 1.033 177.289 176.300 -0.073 0.000 1.121 713 M CA 0.142 55.420 55.300 -0.037 0.000 1.155 713 M CB 0.547 33.138 32.600 -0.016 0.000 1.514 713 M HN 0.560 nan 8.290 nan 0.000 0.452 714 R N 0.755 121.228 120.500 -0.045 0.000 2.549 714 R HA 0.312 4.647 4.340 -0.008 0.000 0.259 714 R C 1.016 177.292 176.300 -0.039 0.000 1.095 714 R CA -0.513 55.557 56.100 -0.051 0.000 1.148 714 R CB 0.398 30.676 30.300 -0.035 0.000 1.181 714 R HN 0.570 nan 8.270 nan 0.000 0.571 715 V N 1.265 121.156 119.914 -0.039 0.000 2.324 715 V HA -0.273 3.843 4.120 -0.008 0.000 0.250 715 V C 1.513 177.594 176.094 -0.021 0.000 1.060 715 V CA 2.075 64.357 62.300 -0.031 0.000 1.042 715 V CB -0.489 31.314 31.823 -0.033 0.000 0.650 715 V HN 0.644 nan 8.190 nan 0.000 0.450 716 E N 0.177 120.366 120.200 -0.018 0.000 2.110 716 E HA -0.183 4.162 4.350 -0.008 0.000 0.193 716 E C 1.969 178.571 176.600 0.003 0.000 0.988 716 E CA 1.386 57.781 56.400 -0.008 0.000 0.804 716 E CB -0.419 29.277 29.700 -0.006 0.000 0.745 716 E HN 0.627 nan 8.360 nan 0.000 0.458 717 D N -0.084 120.319 120.400 0.005 0.000 2.144 717 D HA -0.098 4.538 4.640 -0.008 0.000 0.200 717 D C 1.945 178.260 176.300 0.024 0.000 0.978 717 D CA 0.834 54.848 54.000 0.023 0.000 0.833 717 D CB 0.010 40.825 40.800 0.026 0.000 0.961 717 D HN 0.070 nan 8.370 nan 0.000 0.470 718 V N 1.921 121.837 119.914 0.003 0.000 2.358 718 V HA -0.196 3.920 4.120 -0.008 0.000 0.246 718 V C 1.994 178.090 176.094 0.002 0.000 1.047 718 V CA 1.620 63.916 62.300 -0.007 0.000 1.035 718 V CB -0.358 31.450 31.823 -0.025 0.000 0.658 718 V HN 0.052 nan 8.190 nan 0.000 0.452 719 D N -0.235 120.166 120.400 0.002 0.000 2.117 719 D HA -0.134 4.502 4.640 -0.008 0.000 0.197 719 D C 2.397 178.709 176.300 0.021 0.000 0.987 719 D CA 1.038 55.042 54.000 0.005 0.000 0.829 719 D CB -0.250 40.549 40.800 -0.002 0.000 0.961 719 D HN 0.336 nan 8.370 nan 0.000 0.460 720 R N 0.352 120.869 120.500 0.028 0.000 2.083 720 R HA -0.063 4.272 4.340 -0.008 0.000 0.237 720 R C 2.549 178.885 176.300 0.060 0.000 1.137 720 R CA 0.507 56.631 56.100 0.040 0.000 0.951 720 R CB -0.592 29.734 30.300 0.043 0.000 0.851 720 R HN 0.231 nan 8.270 nan 0.000 0.434 721 L N 0.852 122.121 121.223 0.077 0.000 2.079 721 L HA -0.218 4.117 4.340 -0.008 0.000 0.210 721 L C 1.612 178.551 176.870 0.115 0.000 1.081 721 L CA 1.366 56.280 54.840 0.123 0.000 0.752 721 L CB -0.296 41.852 42.059 0.149 0.000 0.896 721 L HN 0.215 nan 8.230 nan 0.000 0.433 722 D N -0.774 119.667 120.400 0.069 0.000 2.183 722 D HA -0.164 4.471 4.640 -0.008 0.000 0.203 722 D C 2.183 178.514 176.300 0.053 0.000 0.969 722 D CA 0.929 54.963 54.000 0.057 0.000 0.842 722 D CB 0.061 40.874 40.800 0.022 0.000 0.957 722 D HN 0.469 nan 8.370 nan 0.000 0.484 723 Q N 0.052 119.879 119.800 0.045 0.000 2.172 723 Q HA -0.030 4.305 4.340 -0.008 0.000 0.200 723 Q C 2.160 178.187 176.000 0.045 0.000 0.964 723 Q CA 0.624 56.450 55.803 0.037 0.000 0.855 723 Q CB 0.215 28.971 28.738 0.030 0.000 0.918 723 Q HN 0.132 nan 8.270 nan 0.000 0.444 724 R N -0.277 120.258 120.500 0.060 0.000 2.062 724 R HA 0.034 4.370 4.340 -0.008 0.000 0.226 724 R C -0.035 176.306 176.300 0.069 0.000 1.125 724 R CA 1.011 57.148 56.100 0.062 0.000 0.966 724 R CB 0.352 30.698 30.300 0.075 0.000 0.861 724 R HN 0.255 nan 8.270 nan 0.000 0.433 725 G N -0.263 108.594 108.800 0.096 0.000 3.400 725 G HA2 -0.209 3.746 3.960 -0.008 0.000 0.679 725 G HA3 -0.209 3.746 3.960 -0.008 0.000 0.679 725 G C -1.517 173.479 174.900 0.160 0.000 1.239 725 G CA -0.588 44.576 45.100 0.107 0.000 1.049 725 G HN 0.248 nan 8.290 nan 0.000 0.539 726 Y N 3.776 124.113 120.300 0.062 0.000 2.480 726 Y HA 0.522 5.068 4.550 -0.008 0.000 0.341 726 Y C 0.398 176.360 175.900 0.103 0.000 1.031 726 Y CA -0.694 57.462 58.100 0.093 0.000 1.295 726 Y CB 0.860 39.355 38.460 0.058 0.000 1.162 726 Y HN 0.546 nan 8.280 nan 0.000 0.523 727 N N 5.335 123.802 118.700 -0.388 0.000 2.626 727 N HA 0.259 4.994 4.740 -0.008 0.000 0.249 727 N C 0.238 175.504 175.510 -0.408 0.000 1.021 727 N CA 0.367 53.214 53.050 -0.338 0.000 0.886 727 N CB 1.448 39.865 38.487 -0.116 0.000 1.149 727 N HN 0.880 nan 8.380 nan 0.000 0.517 728 A N 2.942 125.416 122.820 -0.576 0.000 1.978 728 A HA -0.237 4.079 4.320 -0.008 0.000 0.220 728 A C 1.943 179.667 177.584 0.234 0.000 1.170 728 A CA 1.561 53.516 52.037 -0.137 0.000 0.636 728 A CB -0.375 18.487 19.000 -0.229 0.000 0.810 728 A HN 0.740 nan 8.150 nan 0.000 0.448 729 Q N 0.177 120.009 119.800 0.053 0.000 2.152 729 Q HA -0.249 4.086 4.340 -0.008 0.000 0.206 729 Q C 1.897 177.971 176.000 0.123 0.000 0.985 729 Q CA 2.389 58.237 55.803 0.075 0.000 0.863 729 Q CB -0.383 28.353 28.738 -0.003 0.000 0.904 729 Q HN 0.783 nan 8.270 nan 0.000 0.422 730 E N -1.404 118.809 120.200 0.022 0.000 2.070 730 E HA -0.248 4.098 4.350 -0.008 0.000 0.197 730 E C 1.606 178.136 176.600 -0.117 0.000 1.004 730 E CA 1.545 57.885 56.400 -0.100 0.000 0.805 730 E CB -0.251 29.291 29.700 -0.263 0.000 0.744 730 E HN 0.605 nan 8.360 nan 0.000 0.451 731 Y N -1.134 119.232 120.300 0.110 0.000 2.242 731 Y HA -0.202 4.343 4.550 -0.008 0.000 0.291 731 Y C 2.202 178.097 175.900 -0.008 0.000 1.137 731 Y CA 1.479 59.630 58.100 0.085 0.000 1.181 731 Y CB -0.613 37.951 38.460 0.173 0.000 0.989 731 Y HN 0.242 nan 8.280 nan 0.000 0.527 732 Y N 1.282 121.605 120.300 0.038 0.000 2.181 732 Y HA -0.256 4.289 4.550 -0.008 0.000 0.288 732 Y C 1.812 177.674 175.900 -0.064 0.000 1.146 732 Y CA 1.807 59.852 58.100 -0.092 0.000 1.164 732 Y CB -0.357 38.096 38.460 -0.011 0.000 0.982 732 Y HN 0.090 nan 8.280 nan 0.000 0.515 733 D N -0.319 120.189 120.400 0.181 0.000 2.224 733 D HA -0.083 4.552 4.640 -0.008 0.000 0.205 733 D C 1.779 178.066 176.300 -0.023 0.000 0.965 733 D CA 1.049 55.098 54.000 0.082 0.000 0.852 733 D CB -0.083 40.773 40.800 0.093 0.000 0.947 733 D HN 0.493 nan 8.370 nan 0.000 0.494 734 R N -0.037 120.444 120.500 -0.033 0.000 2.312 734 R HA 0.271 4.606 4.340 -0.008 0.000 0.205 734 R C 0.461 176.741 176.300 -0.034 0.000 0.904 734 R CA 0.096 56.174 56.100 -0.036 0.000 1.052 734 R CB 1.106 31.381 30.300 -0.041 0.000 1.014 734 R HN 0.145 nan 8.270 nan 0.000 0.503 735 I N 2.138 122.666 120.570 -0.069 0.000 2.464 735 I HA 0.217 4.383 4.170 -0.008 0.000 0.277 735 I C -1.937 174.084 176.117 -0.160 0.000 1.040 735 I CA -2.362 58.898 61.300 -0.066 0.000 1.153 735 I CB 2.173 40.162 38.000 -0.019 0.000 1.274 735 I HN -0.294 nan 8.210 nan 0.000 0.469 736 P HA -0.205 nan 4.420 nan 0.000 0.216 736 P C 1.190 178.390 177.300 -0.167 0.000 1.157 736 P CA 1.535 64.545 63.100 -0.151 0.000 0.880 736 P CB 0.284 31.930 31.700 -0.090 0.000 0.791 737 E N -1.089 119.052 120.200 -0.100 0.000 2.118 737 E HA -0.186 4.159 4.350 -0.008 0.000 0.195 737 E C 1.898 178.387 176.600 -0.185 0.000 0.992 737 E CA 0.791 57.144 56.400 -0.078 0.000 0.804 737 E CB -0.645 29.084 29.700 0.048 0.000 0.741 737 E HN 0.123 nan 8.360 nan 0.000 0.458 738 L N 1.291 122.315 121.223 -0.332 0.000 2.056 738 L HA -0.131 4.204 4.340 -0.008 0.000 0.207 738 L C 2.352 178.917 176.870 -0.509 0.000 1.078 738 L CA 1.642 56.109 54.840 -0.621 0.000 0.749 738 L CB -0.332 41.221 42.059 -0.842 0.000 0.901 738 L HN -0.084 nan 8.230 nan 0.000 0.433 739 R N -0.764 119.412 120.500 -0.541 0.000 2.073 739 R HA -0.242 4.093 4.340 -0.008 0.000 0.234 739 R C 2.391 178.484 176.300 -0.345 0.000 1.134 739 R CA 1.966 57.641 56.100 -0.709 0.000 0.952 739 R CB -0.365 29.466 30.300 -0.782 0.000 0.850 739 R HN 0.635 nan 8.270 nan 0.000 0.433 740 Q N 0.442 120.092 119.800 -0.249 0.000 2.135 740 Q HA -0.180 4.155 4.340 -0.008 0.000 0.204 740 Q C 2.023 177.954 176.000 -0.116 0.000 0.981 740 Q CA 1.840 57.550 55.803 -0.156 0.000 0.856 740 Q CB -0.092 28.562 28.738 -0.140 0.000 0.902 740 Q HN 0.484 nan 8.270 nan 0.000 0.425 741 I N 0.064 120.561 120.570 -0.123 0.000 2.202 741 I HA -0.267 3.899 4.170 -0.008 0.000 0.242 741 I C 1.992 178.116 176.117 0.012 0.000 1.091 741 I CA 0.684 61.953 61.300 -0.052 0.000 1.368 741 I CB -0.196 37.751 38.000 -0.089 0.000 1.058 741 I HN 0.237 nan 8.210 nan 0.000 0.410 742 I N 0.851 121.423 120.570 0.004 0.000 2.286 742 I HA -0.262 3.904 4.170 -0.008 0.000 0.248 742 I C 2.431 178.640 176.117 0.154 0.000 1.115 742 I CA 1.596 62.974 61.300 0.130 0.000 1.392 742 I CB -0.556 37.611 38.000 0.278 0.000 1.065 742 I HN 0.209 nan 8.210 nan 0.000 0.418 743 E N -0.245 120.022 120.200 0.113 0.000 2.152 743 E HA -0.222 4.124 4.350 -0.008 0.000 0.192 743 E C 2.127 178.786 176.600 0.098 0.000 0.983 743 E CA 0.768 57.233 56.400 0.110 0.000 0.818 743 E CB -0.157 29.582 29.700 0.066 0.000 0.758 743 E HN 0.616 nan 8.360 nan 0.000 0.467 744 Q N 0.499 120.339 119.800 0.066 0.000 2.079 744 Q HA -0.082 4.254 4.340 -0.008 0.000 0.200 744 Q C 2.358 178.522 176.000 0.274 0.000 0.974 744 Q CA 0.864 56.710 55.803 0.072 0.000 0.840 744 Q CB 0.018 28.690 28.738 -0.110 0.000 0.898 744 Q HN 0.287 nan 8.270 nan 0.000 0.430 745 L N -0.025 121.373 121.223 0.293 0.000 2.027 745 L HA -0.174 4.161 4.340 -0.008 0.000 0.206 745 L C 2.423 179.479 176.870 0.309 0.000 1.074 745 L CA 0.965 56.008 54.840 0.338 0.000 0.745 745 L CB -0.359 41.815 42.059 0.193 0.000 0.898 745 L HN 0.142 nan 8.230 nan 0.000 0.433 746 S N -0.246 115.589 115.700 0.225 0.000 2.383 746 S HA -0.147 4.318 4.470 -0.008 0.000 0.227 746 S C 2.068 176.770 174.600 0.170 0.000 1.026 746 S CA 1.519 59.831 58.200 0.187 0.000 0.981 746 S CB -0.215 63.076 63.200 0.151 0.000 0.818 746 S HN 0.602 nan 8.310 nan 0.000 0.472 747 S N 0.359 116.161 115.700 0.169 0.000 2.562 747 S HA 0.321 4.787 4.470 -0.008 0.000 0.221 747 S C 1.458 176.150 174.600 0.153 0.000 0.975 747 S CA 0.705 58.991 58.200 0.143 0.000 0.918 747 S CB -0.059 63.218 63.200 0.128 0.000 0.772 747 S HN 0.798 nan 8.310 nan 0.000 0.531 748 G N 0.640 109.565 108.800 0.209 0.000 2.141 748 G HA2 -0.294 3.661 3.960 -0.008 0.000 0.231 748 G HA3 -0.294 3.661 3.960 -0.008 0.000 0.231 748 G C 0.232 175.235 174.900 0.171 0.000 0.984 748 G CA 0.114 45.328 45.100 0.191 0.000 0.660 748 G HN 0.542 nan 8.290 nan 0.000 0.525 749 F N 0.437 120.395 119.950 0.012 0.000 2.192 749 F HA 0.147 4.669 4.527 -0.008 0.000 0.301 749 F C 1.784 177.396 175.800 -0.312 0.000 1.079 749 F CA 2.016 59.904 58.000 -0.187 0.000 1.303 749 F CB -0.080 38.730 39.000 -0.316 0.000 1.024 749 F HN 0.170 nan 8.300 nan 0.000 0.494 750 F N -0.375 119.743 119.950 0.280 0.000 2.695 750 F HA 0.215 4.738 4.527 -0.008 0.000 0.303 750 F C 0.681 176.601 175.800 0.200 0.000 1.091 750 F CA 0.301 58.416 58.000 0.192 0.000 1.300 750 F CB -0.075 39.050 39.000 0.207 0.000 1.071 750 F HN -0.007 nan 8.300 nan 0.000 0.578 751 S N -1.914 113.948 115.700 0.270 0.000 2.564 751 S HA 0.327 4.793 4.470 -0.008 0.000 0.141 751 S C -2.493 172.137 174.600 0.050 0.000 1.474 751 S CA -1.050 57.234 58.200 0.141 0.000 1.236 751 S CB 0.942 64.182 63.200 0.067 0.000 1.481 751 S HN -0.189 nan 8.310 nan 0.000 0.397 752 P HA -0.160 nan 4.420 nan 0.000 0.214 752 P C 1.300 178.595 177.300 -0.008 0.000 1.169 752 P CA 1.563 64.648 63.100 -0.025 0.000 0.908 752 P CB 0.082 31.745 31.700 -0.061 0.000 0.791 753 K N -0.997 119.399 120.400 -0.007 0.000 2.209 753 K HA -0.108 4.208 4.320 -0.008 0.000 0.204 753 K C 0.698 177.299 176.600 0.001 0.000 1.048 753 K CA 1.062 57.348 56.287 -0.003 0.000 0.940 753 K CB -0.212 32.289 32.500 0.001 0.000 0.729 753 K HN 0.365 nan 8.250 nan 0.000 0.451 754 Q N -0.395 119.404 119.800 -0.002 0.000 2.907 754 Q HA 0.150 4.485 4.340 -0.008 0.000 0.262 754 Q C -2.327 173.666 176.000 -0.012 0.000 0.997 754 Q CA -1.585 54.211 55.803 -0.012 0.000 0.797 754 Q CB 1.573 30.295 28.738 -0.027 0.000 1.228 754 Q HN -0.078 nan 8.270 nan 0.000 0.466 755 P HA -0.243 nan 4.420 nan 0.000 0.217 755 P C 0.620 177.956 177.300 0.061 0.000 1.151 755 P CA 1.528 64.657 63.100 0.049 0.000 0.849 755 P CB 0.204 31.932 31.700 0.046 0.000 0.787 756 D N -1.427 118.993 120.400 0.033 0.000 2.388 756 D HA -0.003 4.632 4.640 -0.008 0.000 0.221 756 D C 1.573 177.874 176.300 0.001 0.000 1.133 756 D CA -0.250 53.778 54.000 0.046 0.000 0.831 756 D CB -0.645 40.183 40.800 0.047 0.000 0.962 756 D HN 0.028 nan 8.370 nan 0.000 0.502 757 L N 0.057 121.215 121.223 -0.108 0.000 2.043 757 L HA -0.085 4.250 4.340 -0.008 0.000 0.212 757 L C 1.088 177.743 176.870 -0.358 0.000 1.075 757 L CA 1.723 56.382 54.840 -0.302 0.000 0.752 757 L CB -0.700 40.998 42.059 -0.601 0.000 0.891 757 L HN -0.004 nan 8.230 nan 0.000 0.432 758 F N -0.355 119.656 119.950 0.101 0.000 2.668 758 F HA 0.143 4.666 4.527 -0.007 0.000 0.297 758 F C 1.856 177.711 175.800 0.092 0.000 1.124 758 F CA -0.121 57.928 58.000 0.083 0.000 1.353 758 F CB -0.343 38.693 39.000 0.061 0.000 0.992 758 F HN 0.127 nan 8.300 nan 0.000 0.524 759 K N -0.286 120.233 120.400 0.200 0.000 2.097 759 K HA -0.182 4.133 4.320 -0.008 0.000 0.206 759 K C 0.946 177.649 176.600 0.172 0.000 1.049 759 K CA 1.942 58.330 56.287 0.167 0.000 0.933 759 K CB -0.259 32.315 32.500 0.124 0.000 0.717 759 K HN 0.104 nan 8.250 nan 0.000 0.442 760 D N 1.375 121.893 120.400 0.196 0.000 2.144 760 D HA -0.094 4.541 4.640 -0.008 0.000 0.199 760 D C 2.100 178.508 176.300 0.179 0.000 0.984 760 D CA 1.167 55.295 54.000 0.214 0.000 0.834 760 D CB -0.134 40.842 40.800 0.293 0.000 0.955 760 D HN 0.319 nan 8.370 nan 0.000 0.465 761 I N 0.610 121.289 120.570 0.181 0.000 2.142 761 I HA -0.226 3.939 4.170 -0.008 0.000 0.240 761 I C 2.492 178.645 176.117 0.058 0.000 1.078 761 I CA 0.688 62.056 61.300 0.112 0.000 1.343 761 I CB -0.307 37.760 38.000 0.111 0.000 1.046 761 I HN -0.119 nan 8.210 nan 0.000 0.405 762 V N 1.015 120.987 119.914 0.097 0.000 2.332 762 V HA -0.339 3.776 4.120 -0.008 0.000 0.248 762 V C 2.177 178.261 176.094 -0.016 0.000 1.055 762 V CA 2.491 64.831 62.300 0.068 0.000 1.038 762 V CB -1.071 30.820 31.823 0.114 0.000 0.651 762 V HN 0.525 nan 8.190 nan 0.000 0.450 763 N N -0.610 118.107 118.700 0.028 0.000 2.120 763 N HA -0.235 4.500 4.740 -0.008 0.000 0.188 763 N C 2.012 177.398 175.510 -0.206 0.000 1.024 763 N CA 1.482 54.553 53.050 0.035 0.000 0.852 763 N CB -0.119 38.469 38.487 0.168 0.000 1.003 763 N HN 0.362 nan 8.380 nan 0.000 0.424 764 M N 0.565 119.989 119.600 -0.294 0.000 2.077 764 M HA -0.127 4.348 4.480 -0.008 0.000 0.261 764 M C 1.751 177.762 176.300 -0.481 0.000 1.070 764 M CA 1.258 56.136 55.300 -0.702 0.000 1.125 764 M CB -0.634 31.845 32.600 -0.202 0.000 1.339 764 M HN 0.208 nan 8.290 nan 0.000 0.409 765 L N 0.903 121.939 121.223 -0.312 0.000 2.043 765 L HA -0.238 4.097 4.340 -0.008 0.000 0.212 765 L C 2.483 179.014 176.870 -0.565 0.000 1.075 765 L CA 1.775 56.355 54.840 -0.434 0.000 0.752 765 L CB -1.075 40.804 42.059 -0.299 0.000 0.891 765 L HN 0.354 nan 8.230 nan 0.000 0.432 766 M N -1.975 117.358 119.600 -0.445 0.000 2.236 766 M HA -0.075 4.400 4.480 -0.008 0.000 0.266 766 M C 1.919 177.812 176.300 -0.677 0.000 1.070 766 M CA 1.437 56.403 55.300 -0.557 0.000 1.137 766 M CB -0.851 31.320 32.600 -0.715 0.000 1.378 766 M HN 0.342 nan 8.290 nan 0.000 0.426 767 H N -1.877 117.095 119.070 -0.163 0.000 2.927 767 H HA 0.180 4.731 4.556 -0.008 0.000 0.255 767 H C 0.144 175.483 175.328 0.018 0.000 0.974 767 H CA 0.667 56.676 56.048 -0.063 0.000 1.199 767 H CB 0.177 29.951 29.762 0.021 0.000 1.447 767 H HN 0.567 nan 8.280 nan 0.000 0.467 768 H N -1.331 117.793 119.070 0.090 0.000 2.712 768 H HA 0.289 4.840 4.556 -0.008 0.000 0.226 768 H C -1.220 174.125 175.328 0.028 0.000 1.422 768 H CA -0.695 55.395 56.048 0.069 0.000 1.270 768 H CB -0.093 29.714 29.762 0.074 0.000 1.891 768 H HN -0.135 nan 8.280 nan 0.000 0.518 769 D N 1.395 121.803 120.400 0.012 0.000 2.411 769 D HA 0.138 4.774 4.640 -0.008 0.000 0.225 769 D C 0.825 177.050 176.300 -0.124 0.000 1.156 769 D CA -0.445 53.533 54.000 -0.037 0.000 0.874 769 D CB 0.749 41.502 40.800 -0.077 0.000 1.034 769 D HN 0.509 nan 8.370 nan 0.000 0.502 770 R N 2.360 122.686 120.500 -0.291 0.000 2.285 770 R HA -0.027 4.308 4.340 -0.008 0.000 0.213 770 R C 0.527 176.287 176.300 -0.901 0.000 1.068 770 R CA 0.786 56.501 56.100 -0.642 0.000 1.004 770 R CB 0.124 29.850 30.300 -0.957 0.000 0.873 770 R HN 0.406 nan 8.270 nan 0.000 0.467 771 F N 0.498 120.396 119.950 -0.087 0.000 2.654 771 F HA 0.261 4.783 4.527 -0.008 0.000 0.303 771 F C 0.030 175.689 175.800 -0.235 0.000 1.099 771 F CA -0.772 57.158 58.000 -0.116 0.000 1.270 771 F CB 0.127 39.118 39.000 -0.015 0.000 1.024 771 F HN -0.249 nan 8.300 nan 0.000 0.548 772 K N -0.336 119.834 120.400 -0.383 0.000 3.311 772 K HA -0.185 4.130 4.320 -0.008 0.000 0.270 772 K C 1.016 177.481 176.600 -0.226 0.000 0.927 772 K CA 0.181 56.073 56.287 -0.658 0.000 0.706 772 K CB -1.780 30.270 32.500 -0.750 0.000 1.418 772 K HN 0.221 nan 8.250 nan 0.000 0.459 773 V N 0.085 119.941 119.914 -0.097 0.000 2.287 773 V HA -0.289 3.827 4.120 -0.008 0.000 0.248 773 V C 1.975 178.198 176.094 0.216 0.000 1.053 773 V CA 2.282 64.611 62.300 0.047 0.000 1.027 773 V CB -0.503 31.347 31.823 0.045 0.000 0.646 773 V HN 0.523 nan 8.190 nan 0.000 0.447 774 F N 0.281 120.230 119.950 -0.003 0.000 2.171 774 F HA -0.191 4.331 4.527 -0.008 0.000 0.300 774 F C 2.546 178.125 175.800 -0.369 0.000 1.090 774 F CA 0.659 58.601 58.000 -0.097 0.000 1.293 774 F CB -0.437 38.522 39.000 -0.068 0.000 1.013 774 F HN 0.202 nan 8.300 nan 0.000 0.486 775 A N -0.478 122.155 122.820 -0.312 0.000 2.024 775 A HA -0.206 4.110 4.320 -0.008 0.000 0.220 775 A C 1.421 178.987 177.584 -0.030 0.000 1.164 775 A CA 1.943 53.720 52.037 -0.434 0.000 0.643 775 A CB -0.462 18.437 19.000 -0.168 0.000 0.806 775 A HN 0.255 nan 8.150 nan 0.000 0.451 776 D N -3.020 117.428 120.400 0.080 0.000 2.398 776 D HA 0.104 4.739 4.640 -0.008 0.000 0.210 776 D C 1.100 177.577 176.300 0.294 0.000 1.094 776 D CA -0.115 54.010 54.000 0.208 0.000 0.839 776 D CB -0.101 40.823 40.800 0.207 0.000 0.963 776 D HN 0.577 nan 8.370 nan 0.000 0.506 777 Y N 2.190 122.580 120.300 0.150 0.000 2.070 777 Y HA -0.236 4.310 4.550 -0.007 0.000 0.280 777 Y C 2.126 178.121 175.900 0.158 0.000 1.148 777 Y CA 1.945 60.147 58.100 0.170 0.000 1.125 777 Y CB 0.157 38.681 38.460 0.108 0.000 0.975 777 Y HN -0.116 nan 8.280 nan 0.000 0.492 778 E N -0.048 120.249 120.200 0.161 0.000 2.049 778 E HA -0.291 4.054 4.350 -0.008 0.000 0.198 778 E C 2.234 178.814 176.600 -0.033 0.000 1.007 778 E CA 1.727 58.140 56.400 0.023 0.000 0.809 778 E CB -0.234 29.574 29.700 0.181 0.000 0.749 778 E HN 0.619 nan 8.360 nan 0.000 0.450 779 E N -0.453 119.806 120.200 0.098 0.000 2.150 779 E HA -0.194 4.152 4.350 -0.008 0.000 0.193 779 E C 1.878 178.492 176.600 0.023 0.000 0.985 779 E CA 0.563 57.041 56.400 0.130 0.000 0.814 779 E CB -0.051 29.811 29.700 0.271 0.000 0.752 779 E HN 0.240 nan 8.360 nan 0.000 0.466 780 Y N 0.978 121.121 120.300 -0.261 0.000 2.089 780 Y HA -0.244 4.301 4.550 -0.008 0.000 0.282 780 Y C 2.103 177.600 175.900 -0.673 0.000 1.139 780 Y CA 1.206 58.799 58.100 -0.846 0.000 1.123 780 Y CB -0.721 37.347 38.460 -0.654 0.000 0.980 780 Y HN -0.184 nan 8.280 nan 0.000 0.493 781 V N 0.636 120.176 119.914 -0.623 0.000 2.282 781 V HA -0.357 3.758 4.120 -0.008 0.000 0.249 781 V C 2.407 178.250 176.094 -0.418 0.000 1.057 781 V CA 2.486 64.428 62.300 -0.597 0.000 1.032 781 V CB -0.740 30.768 31.823 -0.523 0.000 0.645 781 V HN 0.237 nan 8.190 nan 0.000 0.447 782 K N -0.553 119.677 120.400 -0.282 0.000 2.032 782 K HA -0.209 4.106 4.320 -0.008 0.000 0.209 782 K C 2.261 178.757 176.600 -0.173 0.000 1.048 782 K CA 1.969 58.158 56.287 -0.163 0.000 0.927 782 K CB -1.068 31.389 32.500 -0.073 0.000 0.712 782 K HN 0.572 nan 8.250 nan 0.000 0.441 783 C N 0.831 120.001 119.300 -0.215 0.000 2.425 783 C HA -0.091 4.364 4.460 -0.008 0.000 0.277 783 C C 2.442 177.241 174.990 -0.318 0.000 1.280 783 C CA 0.738 59.656 59.018 -0.165 0.000 1.744 783 C CB -0.743 26.915 27.740 -0.138 0.000 1.989 783 C HN 0.462 nan 8.230 nan 0.000 0.491 784 Q N 0.419 119.892 119.800 -0.544 0.000 2.170 784 Q HA -0.159 4.177 4.340 -0.008 0.000 0.203 784 Q C 2.007 177.801 176.000 -0.343 0.000 0.976 784 Q CA 1.580 57.019 55.803 -0.606 0.000 0.858 784 Q CB -0.367 27.767 28.738 -1.006 0.000 0.907 784 Q HN 0.765 nan 8.270 nan 0.000 0.433 785 E N 0.121 120.179 120.200 -0.237 0.000 2.106 785 E HA -0.117 4.229 4.350 -0.008 0.000 0.192 785 E C 2.049 178.598 176.600 -0.083 0.000 0.984 785 E CA 0.455 56.779 56.400 -0.127 0.000 0.806 785 E CB 0.011 29.657 29.700 -0.089 0.000 0.750 785 E HN 0.256 nan 8.360 nan 0.000 0.458 786 R N 0.519 120.975 120.500 -0.074 0.000 2.115 786 R HA -0.075 4.260 4.340 -0.008 0.000 0.230 786 R C 2.392 178.682 176.300 -0.016 0.000 1.111 786 R CA 0.845 56.967 56.100 0.037 0.000 0.976 786 R CB -0.350 30.048 30.300 0.163 0.000 0.870 786 R HN 0.084 nan 8.270 nan 0.000 0.445 787 V N 0.723 120.435 119.914 -0.337 0.000 2.307 787 V HA -0.219 3.896 4.120 -0.008 0.000 0.245 787 V C 2.241 178.316 176.094 -0.031 0.000 1.045 787 V CA 1.912 63.908 62.300 -0.506 0.000 1.024 787 V CB -0.381 31.028 31.823 -0.689 0.000 0.651 787 V HN 0.272 nan 8.190 nan 0.000 0.449 788 S N 0.213 115.865 115.700 -0.080 0.000 2.382 788 S HA -0.185 4.280 4.470 -0.008 0.000 0.228 788 S C 2.219 176.874 174.600 0.092 0.000 1.027 788 S CA 1.421 59.612 58.200 -0.015 0.000 0.991 788 S CB -0.516 62.646 63.200 -0.063 0.000 0.823 788 S HN 0.650 nan 8.310 nan 0.000 0.469 789 A N 1.390 124.264 122.820 0.090 0.000 1.883 789 A HA -0.023 4.293 4.320 -0.008 0.000 0.217 789 A C 2.103 179.798 177.584 0.186 0.000 1.186 789 A CA 1.162 53.273 52.037 0.123 0.000 0.624 789 A CB -0.736 18.326 19.000 0.104 0.000 0.822 789 A HN 0.465 nan 8.150 nan 0.000 0.444 790 L N -2.086 119.309 121.223 0.285 0.000 2.141 790 L HA -0.143 4.192 4.340 -0.008 0.000 0.209 790 L C 2.453 179.611 176.870 0.480 0.000 1.094 790 L CA 1.627 56.715 54.840 0.414 0.000 0.763 790 L CB -0.373 42.037 42.059 0.584 0.000 0.908 790 L HN 0.595 nan 8.230 nan 0.000 0.437 791 Y N 0.920 121.355 120.300 0.224 0.000 2.333 791 Y HA -0.249 4.297 4.550 -0.006 0.000 0.290 791 Y C 2.381 178.207 175.900 -0.124 0.000 1.144 791 Y CA 1.519 59.475 58.100 -0.239 0.000 1.228 791 Y CB -0.052 38.062 38.460 -0.577 0.000 0.985 791 Y HN 0.053 nan 8.280 nan 0.000 0.542 792 K N -0.122 120.301 120.400 0.039 0.000 2.362 792 K HA -0.114 4.201 4.320 -0.008 0.000 0.200 792 K C 0.440 177.015 176.600 -0.042 0.000 1.046 792 K CA 0.659 56.951 56.287 0.008 0.000 0.952 792 K CB -0.061 32.495 32.500 0.094 0.000 0.753 792 K HN 0.052 nan 8.250 nan 0.000 0.466 793 N N 0.547 119.242 118.700 -0.008 0.000 3.044 793 N HA 0.125 4.861 4.740 -0.008 0.000 0.254 793 N C -2.432 173.077 175.510 -0.001 0.000 1.253 793 N CA -2.083 50.972 53.050 0.009 0.000 0.944 793 N CB 1.023 39.551 38.487 0.069 0.000 1.217 793 N HN -0.172 nan 8.380 nan 0.000 0.498 794 P HA -0.254 nan 4.420 nan 0.000 0.219 794 P C 1.433 178.741 177.300 0.013 0.000 1.161 794 P CA 1.453 64.472 63.100 -0.135 0.000 0.909 794 P CB 0.295 31.893 31.700 -0.169 0.000 0.793 795 R N -0.207 120.301 120.500 0.014 0.000 2.083 795 R HA -0.184 4.151 4.340 -0.008 0.000 0.237 795 R C 2.008 178.353 176.300 0.076 0.000 1.137 795 R CA 1.605 57.729 56.100 0.039 0.000 0.951 795 R CB -0.441 29.873 30.300 0.023 0.000 0.851 795 R HN 0.128 nan 8.270 nan 0.000 0.434 796 E N -0.206 120.050 120.200 0.093 0.000 2.208 796 E HA -0.206 4.140 4.350 -0.008 0.000 0.193 796 E C 1.596 178.283 176.600 0.145 0.000 0.988 796 E CA 0.591 57.051 56.400 0.100 0.000 0.828 796 E CB -0.387 29.369 29.700 0.093 0.000 0.763 796 E HN 0.537 nan 8.360 nan 0.000 0.478 797 W N 2.136 123.441 121.300 0.008 0.000 2.379 797 W HA -0.142 4.513 4.660 -0.009 0.000 0.307 797 W C 1.516 178.050 176.519 0.025 0.000 1.200 797 W CA 1.855 59.224 57.345 0.039 0.000 1.297 797 W CB -0.375 29.090 29.460 0.009 0.000 1.140 797 W HN 0.001 nan 8.180 nan 0.000 0.507 798 T N 1.252 115.974 114.554 0.280 0.000 2.867 798 T HA -0.146 4.200 4.350 -0.008 0.000 0.268 798 T C 1.857 176.586 174.700 0.048 0.000 1.057 798 T CA 1.498 63.689 62.100 0.153 0.000 1.136 798 T CB -0.217 68.711 68.868 0.101 0.000 0.874 798 T HN 0.169 nan 8.240 nan 0.000 0.466 799 R N 0.396 120.924 120.500 0.048 0.000 2.092 799 R HA 0.124 4.460 4.340 -0.008 0.000 0.231 799 R C 2.475 178.773 176.300 -0.003 0.000 1.119 799 R CA 1.077 57.200 56.100 0.037 0.000 0.970 799 R CB -0.302 30.023 30.300 0.042 0.000 0.864 799 R HN 0.365 nan 8.270 nan 0.000 0.440 800 M N 0.496 120.060 119.600 -0.062 0.000 2.175 800 M HA -0.125 4.350 4.480 -0.008 0.000 0.264 800 M C 1.909 178.126 176.300 -0.138 0.000 1.063 800 M CA 1.306 56.530 55.300 -0.128 0.000 1.119 800 M CB 0.205 32.666 32.600 -0.232 0.000 1.377 800 M HN -0.032 nan 8.290 nan 0.000 0.415 801 V N 0.957 120.777 119.914 -0.157 0.000 2.287 801 V HA -0.317 3.798 4.120 -0.008 0.000 0.248 801 V C 2.222 178.307 176.094 -0.016 0.000 1.053 801 V CA 2.068 64.306 62.300 -0.104 0.000 1.027 801 V CB -0.623 31.174 31.823 -0.044 0.000 0.646 801 V HN 0.511 nan 8.190 nan 0.000 0.447 802 I N -0.496 120.086 120.570 0.021 0.000 2.264 802 I HA -0.285 3.880 4.170 -0.008 0.000 0.248 802 I C 2.692 178.862 176.117 0.088 0.000 1.111 802 I CA 1.639 62.996 61.300 0.095 0.000 1.382 802 I CB -0.426 37.677 38.000 0.171 0.000 1.060 802 I HN 0.232 nan 8.210 nan 0.000 0.418 803 R N 0.388 120.917 120.500 0.048 0.000 2.115 803 R HA -0.105 4.230 4.340 -0.008 0.000 0.230 803 R C 2.053 178.387 176.300 0.057 0.000 1.111 803 R CA 1.129 57.256 56.100 0.044 0.000 0.976 803 R CB -0.367 29.943 30.300 0.016 0.000 0.870 803 R HN 0.521 nan 8.270 nan 0.000 0.445 804 N N 0.636 119.363 118.700 0.045 0.000 2.148 804 N HA -0.067 4.668 4.740 -0.008 0.000 0.186 804 N C 1.951 177.522 175.510 0.101 0.000 1.031 804 N CA 1.099 54.198 53.050 0.081 0.000 0.848 804 N CB -0.013 38.492 38.487 0.030 0.000 1.005 804 N HN 0.106 nan 8.380 nan 0.000 0.427 805 I N 1.696 122.314 120.570 0.080 0.000 2.194 805 I HA -0.259 3.907 4.170 -0.008 0.000 0.246 805 I C 2.462 178.634 176.117 0.091 0.000 1.093 805 I CA 0.992 62.345 61.300 0.088 0.000 1.355 805 I CB -0.358 37.688 38.000 0.076 0.000 1.046 805 I HN 0.101 nan 8.210 nan 0.000 0.413 806 A N 0.375 123.248 122.820 0.089 0.000 2.019 806 A HA -0.167 4.148 4.320 -0.008 0.000 0.219 806 A C 2.102 179.728 177.584 0.069 0.000 1.164 806 A CA 2.083 54.163 52.037 0.073 0.000 0.644 806 A CB -0.858 18.188 19.000 0.075 0.000 0.805 806 A HN 0.544 nan 8.150 nan 0.000 0.449 807 T N -2.862 111.747 114.554 0.092 0.000 3.176 807 T HA 0.193 4.539 4.350 -0.008 0.000 0.263 807 T C 1.129 175.927 174.700 0.163 0.000 1.021 807 T CA 0.628 62.787 62.100 0.099 0.000 0.905 807 T CB -0.156 68.769 68.868 0.095 0.000 1.057 807 T HN 0.480 nan 8.240 nan 0.000 0.558 808 S N 0.055 115.867 115.700 0.188 0.000 2.593 808 S HA 0.253 4.719 4.470 -0.008 0.000 0.217 808 S C 2.229 176.965 174.600 0.227 0.000 0.966 808 S CA 0.270 58.658 58.200 0.312 0.000 0.914 808 S CB -0.626 62.728 63.200 0.257 0.000 0.776 808 S HN 0.519 nan 8.310 nan 0.000 0.523 809 G N 2.831 111.689 108.800 0.096 0.000 2.505 809 G HA2 -0.327 3.628 3.960 -0.008 0.000 0.220 809 G HA3 -0.327 3.628 3.960 -0.008 0.000 0.220 809 G C 1.323 176.182 174.900 -0.069 0.000 1.145 809 G CA 1.145 46.266 45.100 0.036 0.000 0.761 809 G HN 0.620 nan 8.290 nan 0.000 0.571 810 K N -0.125 120.123 120.400 -0.253 0.000 2.211 810 K HA -0.042 4.273 4.320 -0.008 0.000 0.204 810 K C 1.201 177.444 176.600 -0.594 0.000 1.047 810 K CA 0.761 56.748 56.287 -0.500 0.000 0.935 810 K CB -0.278 31.752 32.500 -0.783 0.000 0.728 810 K HN 0.405 nan 8.250 nan 0.000 0.452 811 F N 1.024 121.003 119.950 0.049 0.000 2.676 811 F HA 0.129 4.651 4.527 -0.008 0.000 0.300 811 F C 0.753 176.598 175.800 0.075 0.000 1.160 811 F CA -0.545 57.491 58.000 0.060 0.000 1.401 811 F CB 0.350 39.383 39.000 0.054 0.000 1.037 811 F HN -0.109 nan 8.300 nan 0.000 0.522 812 S N 0.170 115.943 115.700 0.122 0.000 2.545 812 S HA 0.107 4.573 4.470 -0.008 0.000 0.275 812 S C 1.394 176.069 174.600 0.126 0.000 1.299 812 S CA -0.303 57.971 58.200 0.124 0.000 1.048 812 S CB 0.913 64.156 63.200 0.072 0.000 0.938 812 S HN 0.325 nan 8.310 nan 0.000 0.496 813 S N 3.177 118.977 115.700 0.166 0.000 2.547 813 S HA -0.067 4.398 4.470 -0.008 0.000 0.235 813 S C 0.891 175.535 174.600 0.074 0.000 0.980 813 S CA 0.612 58.927 58.200 0.191 0.000 0.941 813 S CB -0.324 63.062 63.200 0.310 0.000 0.763 813 S HN 0.786 nan 8.310 nan 0.000 0.532 814 D N 1.865 122.296 120.400 0.051 0.000 2.144 814 D HA -0.060 4.575 4.640 -0.008 0.000 0.200 814 D C 2.118 178.416 176.300 -0.004 0.000 0.978 814 D CA 0.702 54.711 54.000 0.015 0.000 0.833 814 D CB -0.294 40.513 40.800 0.012 0.000 0.961 814 D HN 0.282 nan 8.370 nan 0.000 0.470 815 R N 0.897 121.396 120.500 -0.000 0.000 2.066 815 R HA -0.081 4.254 4.340 -0.008 0.000 0.232 815 R C 1.880 178.166 176.300 -0.024 0.000 1.131 815 R CA 1.348 57.434 56.100 -0.023 0.000 0.955 815 R CB -0.805 29.468 30.300 -0.046 0.000 0.851 815 R HN 0.097 nan 8.270 nan 0.000 0.432 816 T N 2.291 116.851 114.554 0.010 0.000 2.652 816 T HA -0.129 4.217 4.350 -0.008 0.000 0.267 816 T C 1.918 176.613 174.700 -0.009 0.000 1.039 816 T CA 1.464 63.589 62.100 0.042 0.000 1.153 816 T CB -0.137 68.823 68.868 0.154 0.000 0.863 816 T HN 0.114 nan 8.240 nan 0.000 0.428 817 I N 1.587 122.067 120.570 -0.150 0.000 2.286 817 I HA -0.090 4.075 4.170 -0.008 0.000 0.248 817 I C 2.881 178.948 176.117 -0.084 0.000 1.115 817 I CA 0.908 62.083 61.300 -0.208 0.000 1.392 817 I CB -1.590 36.291 38.000 -0.199 0.000 1.065 817 I HN 0.196 nan 8.210 nan 0.000 0.418 818 A N 0.196 122.986 122.820 -0.051 0.000 1.933 818 A HA -0.224 4.091 4.320 -0.008 0.000 0.218 818 A C 2.246 179.786 177.584 -0.074 0.000 1.175 818 A CA 1.337 53.353 52.037 -0.035 0.000 0.628 818 A CB -0.513 18.472 19.000 -0.025 0.000 0.814 818 A HN 0.499 nan 8.150 nan 0.000 0.444 819 Q N -1.955 117.783 119.800 -0.104 0.000 2.123 819 Q HA -0.145 4.190 4.340 -0.008 0.000 0.199 819 Q C 1.895 177.725 176.000 -0.283 0.000 0.966 819 Q CA 1.507 57.210 55.803 -0.167 0.000 0.845 819 Q CB -0.274 28.357 28.738 -0.179 0.000 0.907 819 Q HN 0.819 nan 8.270 nan 0.000 0.439 820 Y N 0.566 120.575 120.300 -0.485 0.000 2.145 820 Y HA -0.266 4.279 4.550 -0.008 0.000 0.286 820 Y C 2.464 177.771 175.900 -0.988 0.000 1.145 820 Y CA 1.310 58.868 58.100 -0.903 0.000 1.148 820 Y CB -0.354 37.287 38.460 -1.366 0.000 0.981 820 Y HN 0.148 nan 8.280 nan 0.000 0.507 821 A N 0.261 122.843 122.820 -0.397 0.000 1.877 821 A HA -0.214 4.102 4.320 -0.008 0.000 0.216 821 A C 2.242 179.838 177.584 0.020 0.000 1.186 821 A CA 1.975 54.034 52.037 0.036 0.000 0.620 821 A CB -0.524 18.582 19.000 0.177 0.000 0.822 821 A HN 0.417 nan 8.150 nan 0.000 0.443 822 R N -0.553 119.919 120.500 -0.047 0.000 2.075 822 R HA -0.031 4.305 4.340 -0.008 0.000 0.226 822 R C 1.731 178.003 176.300 -0.046 0.000 1.114 822 R CA 1.432 57.516 56.100 -0.026 0.000 0.972 822 R CB -0.201 30.079 30.300 -0.033 0.000 0.869 822 R HN 0.668 nan 8.270 nan 0.000 0.437 823 E N -0.384 119.747 120.200 -0.115 0.000 2.447 823 E HA 0.089 4.435 4.350 -0.008 0.000 0.195 823 E C 1.371 177.911 176.600 -0.098 0.000 1.028 823 E CA 0.443 56.779 56.400 -0.107 0.000 0.876 823 E CB 0.528 30.138 29.700 -0.149 0.000 0.885 823 E HN 0.329 nan 8.360 nan 0.000 0.500 824 I N -1.199 119.279 120.570 -0.153 0.000 4.046 824 I HA 0.029 4.194 4.170 -0.008 0.000 0.285 824 I C 1.216 177.463 176.117 0.217 0.000 1.183 824 I CA -0.080 61.183 61.300 -0.061 0.000 1.337 824 I CB 0.312 38.118 38.000 -0.323 0.000 1.478 824 I HN 0.109 nan 8.210 nan 0.000 0.452 825 W N 1.587 122.981 121.300 0.156 0.000 2.863 825 W HA 0.354 5.009 4.660 -0.008 0.000 0.258 825 W C 1.457 178.014 176.519 0.063 0.000 1.298 825 W CA 0.704 58.124 57.345 0.124 0.000 1.451 825 W CB -1.050 28.473 29.460 0.104 0.000 1.107 825 W HN 0.302 nan 8.180 nan 0.000 0.641 826 G N 1.407 110.345 108.800 0.230 0.000 2.272 826 G HA2 -0.101 3.854 3.960 -0.008 0.000 0.280 826 G HA3 -0.101 3.854 3.960 -0.008 0.000 0.280 826 G C -0.331 174.642 174.900 0.121 0.000 1.067 826 G CA 0.286 45.465 45.100 0.131 0.000 0.902 826 G HN 0.431 nan 8.290 nan 0.000 0.500 827 V N -4.217 115.787 119.914 0.150 0.000 2.925 827 V HA 0.887 5.003 4.120 -0.008 0.000 0.311 827 V C -0.360 175.793 176.094 0.097 0.000 1.104 827 V CA -1.710 60.660 62.300 0.115 0.000 0.954 827 V CB 2.346 34.247 31.823 0.131 0.000 1.022 827 V HN 0.131 nan 8.190 nan 0.000 0.427 828 E N 4.371 124.611 120.200 0.067 0.000 2.146 828 E HA 0.487 4.833 4.350 -0.008 0.000 0.282 828 E C -2.440 174.195 176.600 0.057 0.000 0.989 828 E CA -1.757 54.675 56.400 0.054 0.000 0.799 828 E CB 1.781 31.505 29.700 0.040 0.000 1.088 828 E HN 0.761 nan 8.360 nan 0.000 0.397 829 P HA 0.074 nan 4.420 nan 0.000 0.272 829 P C -0.458 176.870 177.300 0.047 0.000 1.223 829 P CA -0.271 62.861 63.100 0.054 0.000 0.784 829 P CB 1.013 32.740 31.700 0.045 0.000 0.923 830 S N 1.057 116.787 115.700 0.050 0.000 2.540 830 S HA 0.411 4.876 4.470 -0.008 0.000 0.275 830 S C 0.247 174.873 174.600 0.044 0.000 1.123 830 S CA -0.757 57.471 58.200 0.048 0.000 0.907 830 S CB 1.089 64.325 63.200 0.060 0.000 1.081 830 S HN 0.264 nan 8.310 nan 0.000 0.476 831 R N 2.213 122.734 120.500 0.035 0.000 2.546 831 R HA 0.245 4.580 4.340 -0.008 0.000 0.320 831 R C -0.184 176.129 176.300 0.022 0.000 1.021 831 R CA -0.057 56.062 56.100 0.032 0.000 1.088 831 R CB 0.177 30.496 30.300 0.032 0.000 1.278 831 R HN 0.690 nan 8.270 nan 0.000 0.557 832 Q N 1.025 120.837 119.800 0.021 0.000 2.313 832 Q HA 0.134 4.470 4.340 -0.008 0.000 0.266 832 Q C -0.240 175.754 176.000 -0.010 0.000 0.989 832 Q CA 0.013 55.821 55.803 0.008 0.000 0.890 832 Q CB 0.891 29.638 28.738 0.014 0.000 1.200 832 Q HN -0.335 nan 8.270 nan 0.000 0.396 833 R N 1.927 122.412 120.500 -0.025 0.000 2.389 833 R HA 0.252 4.588 4.340 -0.008 0.000 0.295 833 R C -0.426 175.835 176.300 -0.066 0.000 1.075 833 R CA -0.002 56.070 56.100 -0.045 0.000 1.005 833 R CB 0.262 30.533 30.300 -0.048 0.000 0.987 833 R HN 0.520 nan 8.270 nan 0.000 0.452 834 L N 5.369 126.536 121.223 -0.092 0.000 2.439 834 L HA 0.374 4.709 4.340 -0.008 0.000 0.261 834 L C -1.673 175.136 176.870 -0.101 0.000 1.153 834 L CA -1.943 52.812 54.840 -0.141 0.000 0.808 834 L CB 0.751 42.692 42.059 -0.197 0.000 1.126 834 L HN 0.410 nan 8.230 nan 0.000 0.460 835 P HA -0.004 nan 4.420 nan 0.000 0.269 835 P C -0.675 176.595 177.300 -0.049 0.000 1.211 835 P CA -0.088 62.975 63.100 -0.062 0.000 0.781 835 P CB 0.472 32.139 31.700 -0.055 0.000 0.877 836 A N 0.000 122.801 122.820 -0.031 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.008 0.000 0.244 836 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 836 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486