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 2fet_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 XXXXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.775 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 -0.557 120.003 120.570 -0.017 0.000 2.607 13 I HA 0.781 4.945 4.170 -0.009 0.000 0.305 13 I C 1.445 177.563 176.117 0.001 0.000 0.995 13 I CA -0.059 61.239 61.300 -0.004 0.000 1.148 13 I CB 2.251 40.253 38.000 0.004 0.000 1.323 13 I HN 0.883 nan 8.210 nan 0.000 0.461 14 S N 3.629 119.335 115.700 0.010 0.000 2.359 14 S HA -0.205 4.260 4.470 -0.009 0.000 0.223 14 S C 1.804 176.415 174.600 0.019 0.000 1.039 14 S CA 1.516 59.724 58.200 0.013 0.000 1.042 14 S CB -1.323 61.889 63.200 0.021 0.000 0.915 14 S HN 0.909 nan 8.310 nan 0.000 0.439 15 V N 0.019 119.953 119.914 0.032 0.000 2.982 15 V HA 0.030 4.145 4.120 -0.009 0.000 0.265 15 V C 2.079 178.189 176.094 0.028 0.000 1.122 15 V CA 1.620 63.943 62.300 0.038 0.000 1.143 15 V CB -1.206 30.647 31.823 0.050 0.000 0.726 15 V HN 0.430 nan 8.190 nan 0.000 0.507 16 R N 1.268 121.776 120.500 0.012 0.000 2.335 16 R HA 0.421 4.755 4.340 -0.009 0.000 0.223 16 R C 1.150 177.443 176.300 -0.012 0.000 0.940 16 R CA 0.538 56.639 56.100 0.001 0.000 1.086 16 R CB -0.153 30.143 30.300 -0.006 0.000 1.073 16 R HN 0.788 nan 8.270 nan 0.000 0.504 17 G N 0.730 109.522 108.800 -0.013 0.000 2.796 17 G HA2 -0.230 3.724 3.960 -0.009 0.000 0.571 17 G HA3 -0.230 3.724 3.960 -0.009 0.000 0.571 17 G C -0.821 174.063 174.900 -0.026 0.000 1.370 17 G CA -1.051 44.033 45.100 -0.027 0.000 0.856 17 G HN 0.000 nan 8.290 nan 0.000 0.538 18 L N 0.303 121.507 121.223 -0.030 0.000 2.350 18 L HA 0.663 4.997 4.340 -0.009 0.000 0.275 18 L C 1.263 178.118 176.870 -0.026 0.000 1.099 18 L CA 0.325 55.150 54.840 -0.025 0.000 0.808 18 L CB 1.016 43.061 42.059 -0.023 0.000 1.149 18 L HN 1.496 nan 8.230 nan 0.000 0.442 19 A N 2.434 125.242 122.820 -0.020 0.000 3.249 19 A HA 0.544 4.859 4.320 -0.009 0.000 0.297 19 A C 0.859 178.437 177.584 -0.010 0.000 1.302 19 A CA -0.304 51.723 52.037 -0.017 0.000 1.074 19 A CB -0.603 18.387 19.000 -0.018 0.000 1.132 19 A HN 0.809 nan 8.150 nan 0.000 0.575 20 G N -0.640 108.154 108.800 -0.010 0.000 2.562 20 G HA2 0.261 4.215 3.960 -0.009 0.000 0.233 20 G HA3 0.261 4.215 3.960 -0.009 0.000 0.233 20 G C 1.049 175.952 174.900 0.004 0.000 1.266 20 G CA 0.140 45.239 45.100 -0.003 0.000 0.852 20 G HN 0.477 nan 8.290 nan 0.000 0.581 21 V N 1.302 121.220 119.914 0.007 0.000 2.427 21 V HA -0.099 4.015 4.120 -0.009 0.000 0.248 21 V C 2.719 178.822 176.094 0.016 0.000 1.051 21 V CA 2.516 64.823 62.300 0.011 0.000 1.048 21 V CB -0.304 31.525 31.823 0.010 0.000 0.666 21 V HN 0.863 nan 8.190 nan 0.000 0.456 22 E N 0.092 120.302 120.200 0.016 0.000 2.072 22 E HA -0.168 4.177 4.350 -0.009 0.000 0.191 22 E C 1.983 178.603 176.600 0.033 0.000 0.985 22 E CA 1.721 58.135 56.400 0.023 0.000 0.801 22 E CB -0.199 29.514 29.700 0.021 0.000 0.750 22 E HN 0.718 nan 8.360 nan 0.000 0.452 23 N N -0.943 117.774 118.700 0.029 0.000 2.171 23 N HA -0.119 4.616 4.740 -0.009 0.000 0.184 23 N C 1.622 177.157 175.510 0.041 0.000 1.021 23 N CA 0.984 54.057 53.050 0.038 0.000 0.854 23 N CB 0.167 38.661 38.487 0.012 0.000 0.994 23 N HN -0.053 nan 8.380 nan 0.000 0.426 24 V N 0.632 120.562 119.914 0.026 0.000 2.407 24 V HA -0.231 3.883 4.120 -0.009 0.000 0.248 24 V C 2.035 178.151 176.094 0.037 0.000 1.055 24 V CA 1.740 64.056 62.300 0.027 0.000 1.049 24 V CB -0.747 31.087 31.823 0.019 0.000 0.662 24 V HN 0.421 nan 8.190 nan 0.000 0.455 25 T N -0.696 113.880 114.554 0.037 0.000 2.821 25 T HA -0.185 4.160 4.350 -0.009 0.000 0.267 25 T C 1.917 176.652 174.700 0.058 0.000 1.046 25 T CA 1.637 63.761 62.100 0.039 0.000 1.139 25 T CB -0.144 68.743 68.868 0.031 0.000 0.871 25 T HN 0.491 nan 8.240 nan 0.000 0.454 26 E N 1.167 121.409 120.200 0.070 0.000 2.072 26 E HA -0.019 4.325 4.350 -0.009 0.000 0.191 26 E C 2.039 178.717 176.600 0.131 0.000 0.985 26 E CA 0.958 57.413 56.400 0.093 0.000 0.801 26 E CB -0.538 29.225 29.700 0.105 0.000 0.750 26 E HN 0.431 nan 8.360 nan 0.000 0.452 27 L N 0.187 121.496 121.223 0.143 0.000 2.017 27 L HA -0.205 4.129 4.340 -0.009 0.000 0.208 27 L C 2.505 179.486 176.870 0.185 0.000 1.073 27 L CA 1.608 56.559 54.840 0.185 0.000 0.745 27 L CB -0.404 41.736 42.059 0.135 0.000 0.894 27 L HN 0.093 nan 8.230 nan 0.000 0.432 28 K N 0.547 121.015 120.400 0.114 0.000 2.032 28 K HA -0.213 4.102 4.320 -0.009 0.000 0.209 28 K C 2.127 178.830 176.600 0.172 0.000 1.048 28 K CA 1.892 58.240 56.287 0.102 0.000 0.927 28 K CB -0.115 32.404 32.500 0.032 0.000 0.712 28 K HN 0.404 nan 8.250 nan 0.000 0.441 29 K N 0.296 120.775 120.400 0.132 0.000 2.097 29 K HA -0.064 4.251 4.320 -0.009 0.000 0.205 29 K C 1.630 178.318 176.600 0.146 0.000 1.050 29 K CA 1.346 57.706 56.287 0.121 0.000 0.938 29 K CB -0.191 32.355 32.500 0.077 0.000 0.718 29 K HN 0.030 nan 8.250 nan 0.000 0.442 30 N N 0.545 119.343 118.700 0.163 0.000 2.244 30 N HA -0.113 4.622 4.740 -0.009 0.000 0.183 30 N C 1.597 177.260 175.510 0.255 0.000 1.016 30 N CA 0.934 54.075 53.050 0.152 0.000 0.866 30 N CB -0.245 38.341 38.487 0.164 0.000 0.980 30 N HN 0.207 nan 8.380 nan 0.000 0.430 31 F N 2.619 122.668 119.950 0.166 0.000 2.075 31 F HA -0.091 4.431 4.527 -0.009 0.000 0.297 31 F C 2.010 177.915 175.800 0.175 0.000 1.113 31 F CA 1.300 59.414 58.000 0.190 0.000 1.218 31 F CB -0.219 38.862 39.000 0.136 0.000 0.984 31 F HN -0.035 nan 8.300 nan 0.000 0.472 32 N N 0.493 119.411 118.700 0.363 0.000 2.223 32 N HA -0.188 4.546 4.740 -0.009 0.000 0.185 32 N C 2.022 177.596 175.510 0.107 0.000 1.016 32 N CA 1.128 54.308 53.050 0.217 0.000 0.863 32 N CB -0.513 38.087 38.487 0.189 0.000 0.983 32 N HN 0.399 nan 8.380 nan 0.000 0.429 33 R N 0.282 120.849 120.500 0.112 0.000 2.066 33 R HA -0.083 4.251 4.340 -0.009 0.000 0.232 33 R C 1.759 178.125 176.300 0.110 0.000 1.131 33 R CA 1.397 57.585 56.100 0.147 0.000 0.955 33 R CB -0.186 30.148 30.300 0.056 0.000 0.851 33 R HN 0.352 nan 8.270 nan 0.000 0.432 34 H N -0.375 118.726 119.070 0.053 0.000 2.389 34 H HA -0.107 4.443 4.556 -0.009 0.000 0.299 34 H C 1.859 177.115 175.328 -0.120 0.000 1.081 34 H CA 1.408 57.425 56.048 -0.051 0.000 1.345 34 H CB 0.099 29.797 29.762 -0.107 0.000 1.393 34 H HN 0.129 nan 8.280 nan 0.000 0.520 35 L N -0.014 121.179 121.223 -0.050 0.000 2.083 35 L HA -0.189 4.146 4.340 -0.009 0.000 0.209 35 L C 2.167 179.006 176.870 -0.052 0.000 1.083 35 L CA 1.857 56.637 54.840 -0.099 0.000 0.752 35 L CB -0.432 41.566 42.059 -0.101 0.000 0.899 35 L HN 0.297 nan 8.230 nan 0.000 0.433 36 H N -1.689 117.285 119.070 -0.161 0.000 2.276 36 H HA -0.045 4.505 4.556 -0.009 0.000 0.307 36 H C 1.779 176.889 175.328 -0.363 0.000 1.061 36 H CA 2.242 58.100 56.048 -0.316 0.000 1.336 36 H CB -0.275 29.187 29.762 -0.499 0.000 1.396 36 H HN 0.289 nan 8.280 nan 0.000 0.503 37 F N -0.404 119.514 119.950 -0.053 0.000 2.234 37 F HA -0.013 4.508 4.527 -0.009 0.000 0.296 37 F C 2.586 178.302 175.800 -0.140 0.000 1.089 37 F CA 1.375 59.298 58.000 -0.128 0.000 1.343 37 F CB -0.445 38.517 39.000 -0.064 0.000 1.040 37 F HN 0.175 nan 8.300 nan 0.000 0.498 38 T N -0.094 114.487 114.554 0.044 0.000 2.901 38 T HA 0.067 4.411 4.350 -0.009 0.000 0.252 38 T C 1.989 176.599 174.700 -0.150 0.000 1.035 38 T CA 0.852 62.907 62.100 -0.074 0.000 1.142 38 T CB -0.274 68.519 68.868 -0.125 0.000 0.869 38 T HN 0.109 nan 8.240 nan 0.000 0.442 39 L N 1.058 122.195 121.223 -0.142 0.000 2.477 39 L HA 0.206 4.540 4.340 -0.009 0.000 0.220 39 L C 0.356 177.135 176.870 -0.151 0.000 1.106 39 L CA -0.076 54.672 54.840 -0.154 0.000 0.851 39 L CB 0.004 41.982 42.059 -0.135 0.000 0.994 39 L HN -0.027 nan 8.230 nan 0.000 0.462 40 V N 0.857 120.666 119.914 -0.176 0.000 6.078 40 V HA -0.284 3.831 4.120 -0.009 0.000 0.301 40 V C -0.065 175.923 176.094 -0.177 0.000 0.571 40 V CA 1.131 63.300 62.300 -0.219 0.000 0.625 40 V CB -2.185 29.536 31.823 -0.170 0.000 0.271 40 V HN 0.458 nan 8.190 nan 0.000 0.788 41 K N 0.703 121.008 120.400 -0.159 0.000 2.495 41 K HA 0.726 5.041 4.320 -0.009 0.000 0.268 41 K C -0.729 175.844 176.600 -0.044 0.000 1.008 41 K CA -0.549 55.677 56.287 -0.101 0.000 0.882 41 K CB 2.803 35.239 32.500 -0.106 0.000 1.443 41 K HN 0.481 nan 8.250 nan 0.000 0.447 42 D N -0.833 119.560 120.400 -0.012 0.000 2.419 42 D HA 0.297 4.932 4.640 -0.009 0.000 0.234 42 D C 0.646 176.980 176.300 0.056 0.000 1.014 42 D CA -0.760 53.264 54.000 0.041 0.000 0.919 42 D CB 1.111 41.935 40.800 0.039 0.000 1.366 42 D HN 0.149 nan 8.370 nan 0.000 0.490 43 R N 0.340 120.905 120.500 0.108 0.000 2.261 43 R HA -0.085 4.249 4.340 -0.009 0.000 0.236 43 R C 0.681 177.055 176.300 0.123 0.000 1.141 43 R CA 0.674 56.876 56.100 0.171 0.000 1.001 43 R CB -0.507 29.895 30.300 0.169 0.000 0.866 43 R HN 0.544 nan 8.270 nan 0.000 0.468 44 N N 0.264 119.005 118.700 0.068 0.000 2.457 44 N HA -0.071 4.663 4.740 -0.009 0.000 0.180 44 N C 1.414 176.943 175.510 0.030 0.000 1.050 44 N CA 1.155 54.234 53.050 0.048 0.000 0.906 44 N CB 0.516 39.022 38.487 0.031 0.000 0.968 44 N HN 0.194 nan 8.380 nan 0.000 0.445 45 V N -3.531 116.389 119.914 0.010 0.000 3.398 45 V HA 0.524 4.639 4.120 -0.009 0.000 0.298 45 V C 0.598 176.656 176.094 -0.060 0.000 1.496 45 V CA -0.611 61.679 62.300 -0.016 0.000 1.044 45 V CB -0.107 31.702 31.823 -0.022 0.000 0.880 45 V HN 0.002 nan 8.190 nan 0.000 0.443 46 A N 2.088 124.849 122.820 -0.099 0.000 2.440 46 A HA 0.644 4.959 4.320 -0.009 0.000 0.251 46 A C 0.701 178.086 177.584 -0.333 0.000 1.089 46 A CA 0.760 52.616 52.037 -0.301 0.000 0.779 46 A CB 0.064 18.754 19.000 -0.517 0.000 1.022 46 A HN 0.833 nan 8.150 nan 0.000 0.492 47 T N 0.041 114.404 114.554 -0.319 0.000 2.937 47 T HA 0.580 4.924 4.350 -0.009 0.000 0.283 47 T C -2.160 172.452 174.700 -0.147 0.000 1.012 47 T CA -1.780 60.233 62.100 -0.146 0.000 0.997 47 T CB 1.228 70.064 68.868 -0.055 0.000 1.136 47 T HN 0.227 nan 8.240 nan 0.000 0.551 48 P HA -0.085 nan 4.420 nan 0.000 0.216 48 P C 1.622 179.038 177.300 0.192 0.000 1.150 48 P CA 0.960 64.204 63.100 0.239 0.000 0.843 48 P CB 0.052 31.853 31.700 0.169 0.000 0.787 49 R N -0.026 120.532 120.500 0.097 0.000 2.081 49 R HA -0.142 4.192 4.340 -0.009 0.000 0.235 49 R C 1.670 178.144 176.300 0.291 0.000 1.131 49 R CA 1.795 57.994 56.100 0.165 0.000 0.960 49 R CB -0.695 29.631 30.300 0.044 0.000 0.856 49 R HN 0.092 nan 8.270 nan 0.000 0.436 50 D N -0.325 120.122 120.400 0.079 0.000 2.117 50 D HA -0.190 4.444 4.640 -0.009 0.000 0.197 50 D C 1.743 178.070 176.300 0.045 0.000 0.987 50 D CA 1.330 55.334 54.000 0.006 0.000 0.829 50 D CB -0.314 40.339 40.800 -0.245 0.000 0.961 50 D HN 0.304 nan 8.370 nan 0.000 0.460 51 Y N 0.093 120.505 120.300 0.186 0.000 2.181 51 Y HA -0.206 4.339 4.550 -0.009 0.000 0.288 51 Y C 2.332 178.374 175.900 0.237 0.000 1.146 51 Y CA 0.353 58.606 58.100 0.255 0.000 1.164 51 Y CB -1.168 37.498 38.460 0.343 0.000 0.982 51 Y HN 0.084 nan 8.280 nan 0.000 0.515 52 Y N -0.402 120.047 120.300 0.249 0.000 2.128 52 Y HA -0.298 4.246 4.550 -0.009 0.000 0.284 52 Y C 1.994 177.864 175.900 -0.050 0.000 1.154 52 Y CA 1.323 59.462 58.100 0.065 0.000 1.149 52 Y CB -1.174 37.225 38.460 -0.103 0.000 0.976 52 Y HN 0.051 nan 8.280 nan 0.000 0.505 53 F N 0.222 119.974 119.950 -0.330 0.000 2.171 53 F HA -0.149 4.373 4.527 -0.009 0.000 0.300 53 F C 2.649 178.293 175.800 -0.261 0.000 1.090 53 F CA 1.366 59.111 58.000 -0.425 0.000 1.293 53 F CB -0.856 38.070 39.000 -0.124 0.000 1.013 53 F HN 0.207 nan 8.300 nan 0.000 0.486 54 A N -0.170 122.605 122.820 -0.074 0.000 1.902 54 A HA -0.182 4.133 4.320 -0.009 0.000 0.217 54 A C 2.065 179.541 177.584 -0.179 0.000 1.181 54 A CA 1.594 53.462 52.037 -0.281 0.000 0.623 54 A CB -1.012 17.457 19.000 -0.885 0.000 0.818 54 A HN 0.343 nan 8.150 nan 0.000 0.443 55 L N -0.216 121.020 121.223 0.023 0.000 2.027 55 L HA -0.018 4.317 4.340 -0.009 0.000 0.206 55 L C 2.671 179.524 176.870 -0.029 0.000 1.074 55 L CA 2.200 57.169 54.840 0.215 0.000 0.745 55 L CB -1.000 41.246 42.059 0.311 0.000 0.898 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.201 121.413 122.820 -0.344 0.000 1.883 56 A HA -0.292 4.023 4.320 -0.009 0.000 0.217 56 A C 2.155 179.372 177.584 -0.612 0.000 1.186 56 A CA 2.071 53.777 52.037 -0.552 0.000 0.624 56 A CB -1.135 17.193 19.000 -1.120 0.000 0.822 56 A HN 0.688 nan 8.150 nan 0.000 0.444 57 H N -0.880 117.869 119.070 -0.535 0.000 2.387 57 H HA -0.055 4.496 4.556 -0.009 0.000 0.299 57 H C 2.341 177.390 175.328 -0.465 0.000 1.090 57 H CA 1.927 57.584 56.048 -0.652 0.000 1.332 57 H CB -0.122 28.989 29.762 -1.086 0.000 1.386 57 H HN 0.473 nan 8.280 nan 0.000 0.516 58 T N -0.334 114.161 114.554 -0.099 0.000 2.737 58 T HA -0.131 4.213 4.350 -0.009 0.000 0.265 58 T C 2.272 177.120 174.700 0.246 0.000 1.038 58 T CA 1.342 63.563 62.100 0.201 0.000 1.144 58 T CB -0.404 68.657 68.868 0.322 0.000 0.866 58 T HN 0.093 nan 8.240 nan 0.000 0.434 59 V N 1.584 121.629 119.914 0.219 0.000 2.343 59 V HA -0.144 3.970 4.120 -0.009 0.000 0.247 59 V C 2.623 178.893 176.094 0.294 0.000 1.051 59 V CA 1.606 64.088 62.300 0.304 0.000 1.036 59 V CB -0.642 31.354 31.823 0.289 0.000 0.654 59 V HN 0.369 nan 8.190 nan 0.000 0.451 60 R N 0.155 120.759 120.500 0.172 0.000 2.105 60 R HA -0.215 4.119 4.340 -0.009 0.000 0.239 60 R C 1.991 178.377 176.300 0.144 0.000 1.135 60 R CA 2.054 58.249 56.100 0.160 0.000 0.967 60 R CB -0.408 29.828 30.300 -0.107 0.000 0.861 60 R HN 0.478 nan 8.270 nan 0.000 0.442 61 D N -0.203 120.258 120.400 0.102 0.000 2.158 61 D HA -0.178 4.456 4.640 -0.009 0.000 0.197 61 D C 1.696 177.983 176.300 -0.023 0.000 0.995 61 D CA 1.144 55.171 54.000 0.045 0.000 0.846 61 D CB -0.363 40.445 40.800 0.013 0.000 0.941 61 D HN 0.442 nan 8.370 nan 0.000 0.456 62 H N -0.384 118.752 119.070 0.110 0.000 2.524 62 H HA 0.052 4.603 4.556 -0.009 0.000 0.282 62 H C 2.183 177.555 175.328 0.073 0.000 1.016 62 H CA 0.411 56.509 56.048 0.082 0.000 1.270 62 H CB 0.301 30.103 29.762 0.068 0.000 1.394 62 H HN 0.218 nan 8.280 nan 0.000 0.568 63 L N -0.437 120.894 121.223 0.180 0.000 2.162 63 L HA -0.082 4.252 4.340 -0.009 0.000 0.205 63 L C 2.552 179.533 176.870 0.184 0.000 1.086 63 L CA 0.187 55.102 54.840 0.125 0.000 0.778 63 L CB -0.142 41.955 42.059 0.063 0.000 0.928 63 L HN -0.006 nan 8.230 nan 0.000 0.446 64 V N 0.640 120.688 119.914 0.223 0.000 2.250 64 V HA -0.340 3.775 4.120 -0.009 0.000 0.253 64 V C 2.632 178.848 176.094 0.202 0.000 1.065 64 V CA 2.336 64.801 62.300 0.274 0.000 1.039 64 V CB -1.536 30.398 31.823 0.186 0.000 0.647 64 V HN 0.603 nan 8.190 nan 0.000 0.446 65 G N -0.430 108.443 108.800 0.122 0.000 2.476 65 G HA2 -0.272 3.683 3.960 -0.009 0.000 0.218 65 G HA3 -0.272 3.683 3.960 -0.009 0.000 0.218 65 G C 1.714 176.668 174.900 0.089 0.000 1.164 65 G CA 1.011 46.160 45.100 0.081 0.000 0.768 65 G HN 0.494 nan 8.290 nan 0.000 0.560 66 R N -1.482 119.080 120.500 0.103 0.000 2.092 66 R HA -0.063 4.271 4.340 -0.009 0.000 0.231 66 R C 2.278 178.664 176.300 0.144 0.000 1.119 66 R CA 1.053 57.200 56.100 0.079 0.000 0.970 66 R CB -0.364 29.965 30.300 0.048 0.000 0.864 66 R HN 0.474 nan 8.270 nan 0.000 0.440 67 W N 1.800 123.087 121.300 -0.021 0.000 2.354 67 W HA -0.084 4.571 4.660 -0.009 0.000 0.315 67 W C 1.759 178.259 176.519 -0.033 0.000 1.206 67 W CA 0.919 58.250 57.345 -0.024 0.000 1.290 67 W CB -0.619 28.845 29.460 0.008 0.000 1.152 67 W HN -0.054 nan 8.180 nan 0.000 0.489 68 I N 0.369 121.009 120.570 0.117 0.000 2.286 68 I HA -0.311 3.853 4.170 -0.009 0.000 0.248 68 I C 2.554 178.663 176.117 -0.013 0.000 1.115 68 I CA 1.328 62.609 61.300 -0.031 0.000 1.392 68 I CB -0.509 37.474 38.000 -0.028 0.000 1.065 68 I HN -0.081 nan 8.210 nan 0.000 0.418 69 R N -0.104 120.404 120.500 0.012 0.000 2.119 69 R HA -0.043 4.292 4.340 -0.009 0.000 0.222 69 R C 2.261 178.533 176.300 -0.046 0.000 1.088 69 R CA 1.481 57.576 56.100 -0.008 0.000 0.984 69 R CB -0.615 29.677 30.300 -0.012 0.000 0.884 69 R HN 0.329 nan 8.270 nan 0.000 0.447 70 T N 1.558 116.064 114.554 -0.080 0.000 2.674 70 T HA -0.129 4.216 4.350 -0.009 0.000 0.265 70 T C 1.854 176.310 174.700 -0.407 0.000 1.039 70 T CA 1.084 63.027 62.100 -0.262 0.000 1.150 70 T CB -0.088 68.656 68.868 -0.207 0.000 0.864 70 T HN 0.148 nan 8.240 nan 0.000 0.427 71 Q N 0.844 120.542 119.800 -0.170 0.000 2.084 71 Q HA -0.121 4.214 4.340 -0.009 0.000 0.202 71 Q C 2.370 178.390 176.000 0.033 0.000 0.978 71 Q CA 1.408 57.185 55.803 -0.042 0.000 0.844 71 Q CB -0.585 28.154 28.738 0.000 0.000 0.898 71 Q HN 0.472 nan 8.270 nan 0.000 0.426 72 Q N 0.121 119.933 119.800 0.020 0.000 2.084 72 Q HA -0.184 4.150 4.340 -0.009 0.000 0.202 72 Q C 1.901 177.994 176.000 0.155 0.000 0.978 72 Q CA 1.946 57.806 55.803 0.095 0.000 0.844 72 Q CB -0.420 28.354 28.738 0.061 0.000 0.898 72 Q HN 0.560 nan 8.270 nan 0.000 0.426 73 H N -0.898 118.148 119.070 -0.039 0.000 2.319 73 H HA -0.175 4.376 4.556 -0.009 0.000 0.299 73 H C 1.166 176.551 175.328 0.095 0.000 1.092 73 H CA 2.279 58.308 56.048 -0.031 0.000 1.302 73 H CB -0.384 29.286 29.762 -0.152 0.000 1.373 73 H HN 0.356 nan 8.280 nan 0.000 0.497 74 Y N -1.054 119.270 120.300 0.040 0.000 2.333 74 Y HA -0.179 4.366 4.550 -0.009 0.000 0.290 74 Y C 2.386 178.304 175.900 0.031 0.000 1.144 74 Y CA 0.997 59.087 58.100 -0.017 0.000 1.228 74 Y CB -1.234 37.283 38.460 0.096 0.000 0.985 74 Y HN 0.367 nan 8.280 nan 0.000 0.542 75 Y N 1.054 121.424 120.300 0.118 0.000 2.200 75 Y HA -0.156 4.389 4.550 -0.009 0.000 0.290 75 Y C 2.021 177.927 175.900 0.009 0.000 1.137 75 Y CA 1.632 59.768 58.100 0.060 0.000 1.163 75 Y CB -0.273 38.214 38.460 0.045 0.000 0.988 75 Y HN 0.186 nan 8.280 nan 0.000 0.518 76 E N -0.264 119.894 120.200 -0.070 0.000 2.028 76 E HA -0.162 4.183 4.350 -0.009 0.000 0.191 76 E C 1.919 178.411 176.600 -0.180 0.000 0.988 76 E CA 1.239 57.540 56.400 -0.165 0.000 0.799 76 E CB -0.031 29.647 29.700 -0.036 0.000 0.755 76 E HN 0.252 nan 8.360 nan 0.000 0.447 77 K N 0.761 121.047 120.400 -0.190 0.000 2.296 77 K HA -0.070 4.244 4.320 -0.009 0.000 0.200 77 K C 0.160 176.689 176.600 -0.118 0.000 1.048 77 K CA 0.593 56.777 56.287 -0.172 0.000 0.966 77 K CB -0.362 31.974 32.500 -0.274 0.000 0.754 77 K HN 0.091 nan 8.250 nan 0.000 0.466 78 D N 0.895 121.236 120.400 -0.099 0.000 2.735 78 D HA -0.112 4.523 4.640 -0.009 0.000 0.235 78 D C -2.247 174.024 176.300 -0.048 0.000 1.175 78 D CA 0.109 54.070 54.000 -0.065 0.000 0.683 78 D CB -0.174 40.562 40.800 -0.108 0.000 1.008 78 D HN 0.194 nan 8.370 nan 0.000 0.416 79 P HA 0.094 nan 4.420 nan 0.000 0.277 79 P C -0.209 177.050 177.300 -0.069 0.000 1.271 79 P CA -0.616 62.447 63.100 -0.061 0.000 0.795 79 P CB 0.642 32.292 31.700 -0.083 0.000 1.101 80 K N 1.046 121.407 120.400 -0.064 0.000 2.412 80 K HA 0.071 4.386 4.320 -0.009 0.000 0.281 80 K C 0.168 176.684 176.600 -0.139 0.000 1.027 80 K CA -0.242 56.003 56.287 -0.070 0.000 0.989 80 K CB 0.332 32.807 32.500 -0.040 0.000 0.935 80 K HN 0.299 nan 8.250 nan 0.000 0.475 81 R N 4.302 124.706 120.500 -0.160 0.000 2.368 81 R HA 0.349 4.684 4.340 -0.009 0.000 0.302 81 R C -0.168 175.861 176.300 -0.450 0.000 1.002 81 R CA -0.820 55.104 56.100 -0.294 0.000 0.929 81 R CB 0.720 30.850 30.300 -0.284 0.000 1.073 81 R HN 0.507 nan 8.270 nan 0.000 0.464 82 I N 3.678 123.929 120.570 -0.532 0.000 2.339 82 I HA 0.254 4.418 4.170 -0.009 0.000 0.290 82 I C -0.474 175.332 176.117 -0.517 0.000 0.994 82 I CA -1.027 59.910 61.300 -0.606 0.000 1.191 82 I CB 0.569 38.098 38.000 -0.785 0.000 1.343 82 I HN 0.433 nan 8.210 nan 0.000 0.458 83 Y N 5.963 126.228 120.300 -0.058 0.000 2.356 83 Y HA 0.283 4.827 4.550 -0.009 0.000 0.334 83 Y C -0.303 175.703 175.900 0.177 0.000 0.958 83 Y CA -0.733 57.460 58.100 0.154 0.000 1.196 83 Y CB 1.134 39.646 38.460 0.086 0.000 1.137 83 Y HN 0.391 nan 8.280 nan 0.000 0.485 84 Y N 4.620 125.101 120.300 0.302 0.000 2.518 84 Y HA 0.467 5.011 4.550 -0.009 0.000 0.344 84 Y C -1.206 174.954 175.900 0.434 0.000 0.982 84 Y CA -0.997 57.287 58.100 0.308 0.000 1.234 84 Y CB 0.247 38.892 38.460 0.310 0.000 1.114 84 Y HN 0.499 nan 8.280 nan 0.000 0.515 85 L N 4.943 126.225 121.223 0.098 0.000 2.265 85 L HA 0.462 4.796 4.340 -0.009 0.000 0.288 85 L C -0.101 176.779 176.870 0.016 0.000 1.058 85 L CA 0.160 55.105 54.840 0.174 0.000 0.809 85 L CB 1.215 43.346 42.059 0.120 0.000 1.179 85 L HN 0.572 nan 8.230 nan 0.000 0.429 86 S N 2.459 118.247 115.700 0.146 0.000 2.541 86 S HA 0.516 4.981 4.470 -0.009 0.000 0.271 86 S C 0.157 174.835 174.600 0.129 0.000 1.133 86 S CA -0.515 57.669 58.200 -0.027 0.000 0.876 86 S CB 1.036 63.991 63.200 -0.408 0.000 1.105 86 S HN 0.459 nan 8.310 nan 0.000 0.470 87 L N 2.728 124.074 121.223 0.205 0.000 2.591 87 L HA 0.470 4.805 4.340 -0.009 0.000 0.228 87 L C 0.232 177.303 176.870 0.335 0.000 1.133 87 L CA 0.902 55.935 54.840 0.322 0.000 0.880 87 L CB -0.082 42.189 42.059 0.352 0.000 1.033 87 L HN 0.650 nan 8.230 nan 0.000 0.450 88 E N -1.222 119.045 120.200 0.110 0.000 2.292 88 E HA 0.400 4.744 4.350 -0.009 0.000 0.272 88 E C -1.395 175.093 176.600 -0.188 0.000 0.881 88 E CA -0.441 56.008 56.400 0.082 0.000 0.754 88 E CB 1.934 31.664 29.700 0.050 0.000 1.201 88 E HN -0.164 nan 8.360 nan 0.000 0.425 89 F N 2.116 122.172 119.950 0.178 0.000 2.902 89 F HA 0.165 4.686 4.527 -0.009 0.000 0.368 89 F C -0.850 175.034 175.800 0.141 0.000 1.202 89 F CA -0.742 57.352 58.000 0.158 0.000 1.109 89 F CB 0.946 40.032 39.000 0.142 0.000 1.418 89 F HN 0.493 nan 8.300 nan 0.000 0.527 90 Y N 5.110 125.489 120.300 0.132 0.000 2.636 90 Y HA 0.177 4.722 4.550 -0.009 0.000 0.334 90 Y C 1.140 177.064 175.900 0.040 0.000 1.286 90 Y CA -0.905 57.223 58.100 0.046 0.000 1.688 90 Y CB 0.217 38.688 38.460 0.017 0.000 1.662 90 Y HN 0.534 nan 8.280 nan 0.000 0.465 91 M N 1.128 120.866 119.600 0.229 0.000 2.200 91 M HA 0.072 4.546 4.480 -0.009 0.000 0.265 91 M C 1.616 177.903 176.300 -0.021 0.000 1.066 91 M CA 1.192 56.537 55.300 0.074 0.000 1.127 91 M CB -1.328 31.288 32.600 0.025 0.000 1.379 91 M HN 0.662 nan 8.290 nan 0.000 0.420 92 G N 0.920 109.723 108.800 0.005 0.000 2.553 92 G HA2 -0.263 3.692 3.960 -0.009 0.000 0.242 92 G HA3 -0.263 3.692 3.960 -0.009 0.000 0.242 92 G C -0.300 174.559 174.900 -0.068 0.000 1.277 92 G CA -0.325 44.736 45.100 -0.065 0.000 0.910 92 G HN 0.438 nan 8.290 nan 0.000 0.576 93 R N -0.613 119.825 120.500 -0.104 0.000 2.531 93 R HA 0.560 4.895 4.340 -0.009 0.000 0.273 93 R C 1.046 177.223 176.300 -0.205 0.000 1.070 93 R CA 0.329 56.372 56.100 -0.095 0.000 1.112 93 R CB 0.738 30.990 30.300 -0.081 0.000 1.049 93 R HN 0.522 nan 8.270 nan 0.000 0.508 94 T N 1.412 115.785 114.554 -0.303 0.000 2.990 94 T HA -0.011 4.334 4.350 -0.009 0.000 0.249 94 T C 1.450 175.741 174.700 -0.683 0.000 1.039 94 T CA -0.145 61.561 62.100 -0.656 0.000 1.036 94 T CB 0.140 68.232 68.868 -1.293 0.000 0.994 94 T HN 0.314 nan 8.240 nan 0.000 0.489 95 L N 1.961 123.021 121.223 -0.273 0.000 1.955 95 L HA -0.063 4.271 4.340 -0.009 0.000 0.213 95 L C 2.465 179.299 176.870 -0.060 0.000 1.072 95 L CA 2.023 56.868 54.840 0.009 0.000 0.755 95 L CB -0.728 41.544 42.059 0.354 0.000 0.888 95 L HN 0.176 nan 8.230 nan 0.000 0.432 96 Q N -0.765 119.001 119.800 -0.057 0.000 2.084 96 Q HA -0.259 4.076 4.340 -0.009 0.000 0.202 96 Q C 2.241 178.170 176.000 -0.118 0.000 0.978 96 Q CA 1.890 57.652 55.803 -0.067 0.000 0.844 96 Q CB -0.322 28.373 28.738 -0.072 0.000 0.898 96 Q HN 0.697 nan 8.270 nan 0.000 0.426 97 N N -0.997 117.593 118.700 -0.185 0.000 2.149 97 N HA -0.149 4.585 4.740 -0.009 0.000 0.188 97 N C 1.310 176.715 175.510 -0.175 0.000 1.019 97 N CA 1.734 54.667 53.050 -0.196 0.000 0.857 97 N CB 0.089 38.425 38.487 -0.251 0.000 0.997 97 N HN 0.220 nan 8.380 nan 0.000 0.426 98 T N 1.171 115.590 114.554 -0.225 0.000 2.777 98 T HA -0.024 4.321 4.350 -0.009 0.000 0.266 98 T C 2.058 176.703 174.700 -0.091 0.000 1.040 98 T CA 0.953 62.941 62.100 -0.187 0.000 1.141 98 T CB -0.037 68.678 68.868 -0.254 0.000 0.868 98 T HN 0.264 nan 8.240 nan 0.000 0.444 99 M N 0.654 120.217 119.600 -0.063 0.000 2.117 99 M HA -0.080 4.394 4.480 -0.009 0.000 0.262 99 M C 2.471 178.744 176.300 -0.046 0.000 1.065 99 M CA 1.218 56.495 55.300 -0.038 0.000 1.114 99 M CB -0.696 31.896 32.600 -0.014 0.000 1.361 99 M HN 0.099 nan 8.290 nan 0.000 0.408 100 V N 1.048 120.939 119.914 -0.038 0.000 2.255 100 V HA -0.276 3.838 4.120 -0.009 0.000 0.247 100 V C 1.762 177.875 176.094 0.032 0.000 1.051 100 V CA 2.028 64.331 62.300 0.006 0.000 1.018 100 V CB -0.911 30.915 31.823 0.005 0.000 0.641 100 V HN 0.471 nan 8.190 nan 0.000 0.445 101 N N -0.254 118.452 118.700 0.010 0.000 2.453 101 N HA -0.006 4.729 4.740 -0.009 0.000 0.183 101 N C 1.291 176.717 175.510 -0.140 0.000 1.041 101 N CA 0.891 53.932 53.050 -0.016 0.000 0.900 101 N CB -0.129 38.352 38.487 -0.011 0.000 0.961 101 N HN 0.431 nan 8.380 nan 0.000 0.443 102 L N -0.882 120.273 121.223 -0.113 0.000 2.693 102 L HA 0.373 4.708 4.340 -0.009 0.000 0.235 102 L C 0.426 177.214 176.870 -0.136 0.000 1.127 102 L CA -0.194 54.573 54.840 -0.121 0.000 0.914 102 L CB 0.013 42.023 42.059 -0.082 0.000 1.193 102 L HN -0.024 nan 8.230 nan 0.000 0.502 103 A N 0.684 123.426 122.820 -0.130 0.000 2.791 103 A HA -0.206 4.109 4.320 -0.009 0.000 0.292 103 A C 0.816 178.344 177.584 -0.094 0.000 1.487 103 A CA 0.889 52.860 52.037 -0.110 0.000 0.760 103 A CB -2.014 16.904 19.000 -0.136 0.000 1.031 103 A HN 0.433 nan 8.150 nan 0.000 0.503 104 L N -1.557 119.613 121.223 -0.089 0.000 2.766 104 L HA 0.161 4.495 4.340 -0.009 0.000 0.242 104 L C 1.911 178.749 176.870 -0.053 0.000 1.136 104 L CA 0.668 55.451 54.840 -0.095 0.000 0.933 104 L CB 0.072 42.048 42.059 -0.138 0.000 1.241 104 L HN 0.653 nan 8.230 nan 0.000 0.522 105 E N 0.934 121.112 120.200 -0.037 0.000 2.070 105 E HA -0.247 4.098 4.350 -0.009 0.000 0.197 105 E C 1.681 178.271 176.600 -0.018 0.000 1.004 105 E CA 1.570 57.958 56.400 -0.020 0.000 0.805 105 E CB 0.251 29.941 29.700 -0.016 0.000 0.744 105 E HN 0.420 nan 8.360 nan 0.000 0.451 106 N N -0.054 118.632 118.700 -0.024 0.000 2.171 106 N HA -0.103 4.631 4.740 -0.009 0.000 0.184 106 N C 1.606 177.103 175.510 -0.022 0.000 1.021 106 N CA 1.171 54.206 53.050 -0.025 0.000 0.854 106 N CB -0.382 38.089 38.487 -0.027 0.000 0.994 106 N HN 0.210 nan 8.380 nan 0.000 0.426 107 A N 0.633 123.437 122.820 -0.026 0.000 1.883 107 A HA -0.167 4.148 4.320 -0.009 0.000 0.217 107 A C 2.657 180.236 177.584 -0.008 0.000 1.186 107 A CA 1.463 53.488 52.037 -0.020 0.000 0.624 107 A CB -1.056 17.922 19.000 -0.037 0.000 0.822 107 A HN 0.443 nan 8.150 nan 0.000 0.444 108 C N -0.867 118.429 119.300 -0.007 0.000 2.435 108 C HA -0.056 4.398 4.460 -0.009 0.000 0.279 108 C C 2.465 177.459 174.990 0.007 0.000 1.321 108 C CA 0.984 60.008 59.018 0.011 0.000 1.752 108 C CB -1.097 26.662 27.740 0.031 0.000 1.959 108 C HN 0.675 nan 8.230 nan 0.000 0.500 109 D N 0.779 121.182 120.400 0.005 0.000 2.097 109 D HA -0.141 4.493 4.640 -0.009 0.000 0.195 109 D C 2.130 178.447 176.300 0.027 0.000 0.989 109 D CA 1.546 55.552 54.000 0.009 0.000 0.827 109 D CB -0.244 40.550 40.800 -0.011 0.000 0.966 109 D HN 0.471 nan 8.370 nan 0.000 0.456 110 E N 0.478 120.687 120.200 0.016 0.000 2.031 110 E HA -0.084 4.260 4.350 -0.009 0.000 0.193 110 E C 1.912 178.556 176.600 0.074 0.000 0.994 110 E CA 1.769 58.198 56.400 0.050 0.000 0.800 110 E CB -0.615 29.096 29.700 0.018 0.000 0.752 110 E HN 0.200 nan 8.360 nan 0.000 0.447 111 A N -0.141 122.688 122.820 0.014 0.000 1.908 111 A HA -0.230 4.085 4.320 -0.009 0.000 0.218 111 A C 2.491 180.006 177.584 -0.116 0.000 1.181 111 A CA 2.955 54.972 52.037 -0.033 0.000 0.627 111 A CB -1.483 17.500 19.000 -0.028 0.000 0.818 111 A HN 0.532 nan 8.150 nan 0.000 0.445 112 T N -3.839 110.640 114.554 -0.125 0.000 2.904 112 T HA -0.176 4.168 4.350 -0.009 0.000 0.267 112 T C 1.812 176.430 174.700 -0.137 0.000 1.059 112 T CA 1.424 63.388 62.100 -0.227 0.000 1.137 112 T CB -0.522 68.250 68.868 -0.159 0.000 0.879 112 T HN 0.472 nan 8.240 nan 0.000 0.467 113 Y N 2.136 122.357 120.300 -0.132 0.000 2.145 113 Y HA -0.065 4.480 4.550 -0.008 0.000 0.286 113 Y C 2.618 178.456 175.900 -0.103 0.000 1.145 113 Y CA 1.445 59.486 58.100 -0.098 0.000 1.148 113 Y CB -0.550 37.871 38.460 -0.065 0.000 0.981 113 Y HN 0.215 nan 8.280 nan 0.000 0.507 114 Q N -0.199 119.514 119.800 -0.145 0.000 2.226 114 Q HA -0.123 4.212 4.340 -0.009 0.000 0.204 114 Q C 1.849 177.707 176.000 -0.237 0.000 0.975 114 Q CA 1.414 57.094 55.803 -0.205 0.000 0.866 114 Q CB -0.127 28.576 28.738 -0.059 0.000 0.915 114 Q HN 0.517 nan 8.270 nan 0.000 0.440 115 L N -0.799 120.271 121.223 -0.255 0.000 2.591 115 L HA 0.151 4.485 4.340 -0.009 0.000 0.228 115 L C 0.892 177.594 176.870 -0.281 0.000 1.133 115 L CA 0.221 54.901 54.840 -0.266 0.000 0.880 115 L CB 0.001 41.826 42.059 -0.391 0.000 1.033 115 L HN 0.319 nan 8.230 nan 0.000 0.450 116 G N 0.962 109.573 108.800 -0.315 0.000 2.212 116 G HA2 -0.255 3.700 3.960 -0.009 0.000 0.255 116 G HA3 -0.255 3.700 3.960 -0.009 0.000 0.255 116 G C -0.229 174.528 174.900 -0.240 0.000 1.062 116 G CA -0.057 44.871 45.100 -0.287 0.000 0.815 116 G HN 0.251 nan 8.290 nan 0.000 0.497 117 L N -0.472 120.611 121.223 -0.234 0.000 2.370 117 L HA 0.585 4.919 4.340 -0.009 0.000 0.266 117 L C -0.681 176.152 176.870 -0.062 0.000 1.002 117 L CA -1.192 53.540 54.840 -0.180 0.000 0.818 117 L CB 2.012 43.900 42.059 -0.286 0.000 1.325 117 L HN 0.096 nan 8.230 nan 0.000 0.418 118 D N 2.209 122.604 120.400 -0.010 0.000 2.396 118 D HA 0.173 4.808 4.640 -0.009 0.000 0.225 118 D C 0.700 177.027 176.300 0.045 0.000 1.121 118 D CA -0.248 53.775 54.000 0.039 0.000 0.853 118 D CB 1.434 42.261 40.800 0.046 0.000 1.043 118 D HN 0.516 nan 8.370 nan 0.000 0.500 119 M N 3.096 122.724 119.600 0.046 0.000 2.202 119 M HA -0.174 4.301 4.480 -0.009 0.000 0.262 119 M C 1.349 177.691 176.300 0.070 0.000 1.063 119 M CA 1.586 56.923 55.300 0.062 0.000 1.097 119 M CB 0.176 32.806 32.600 0.050 0.000 1.382 119 M HN 0.413 nan 8.290 nan 0.000 0.413 120 E N -0.207 120.025 120.200 0.054 0.000 2.110 120 E HA -0.264 4.081 4.350 -0.009 0.000 0.193 120 E C 1.857 178.489 176.600 0.053 0.000 0.988 120 E CA 1.482 57.911 56.400 0.048 0.000 0.804 120 E CB -0.152 29.574 29.700 0.043 0.000 0.745 120 E HN 0.655 nan 8.360 nan 0.000 0.458 121 E N 0.583 120.818 120.200 0.059 0.000 2.106 121 E HA -0.158 4.187 4.350 -0.009 0.000 0.192 121 E C 2.115 178.755 176.600 0.066 0.000 0.984 121 E CA 0.534 56.968 56.400 0.058 0.000 0.806 121 E CB 0.102 29.838 29.700 0.061 0.000 0.750 121 E HN 0.212 nan 8.360 nan 0.000 0.458 122 L N 0.478 121.763 121.223 0.103 0.000 2.156 122 L HA -0.113 4.222 4.340 -0.009 0.000 0.208 122 L C 2.259 179.186 176.870 0.094 0.000 1.095 122 L CA 0.986 55.919 54.840 0.156 0.000 0.770 122 L CB -0.353 41.858 42.059 0.253 0.000 0.914 122 L HN 0.115 nan 8.230 nan 0.000 0.439 123 E N 0.044 120.292 120.200 0.080 0.000 2.153 123 E HA -0.188 4.157 4.350 -0.009 0.000 0.194 123 E C 1.878 178.437 176.600 -0.068 0.000 0.988 123 E CA 0.724 57.143 56.400 0.031 0.000 0.811 123 E CB 0.030 29.755 29.700 0.043 0.000 0.746 123 E HN 0.379 nan 8.360 nan 0.000 0.466 124 E N 0.367 120.543 120.200 -0.040 0.000 2.409 124 E HA -0.098 4.246 4.350 -0.009 0.000 0.198 124 E C 1.829 178.363 176.600 -0.109 0.000 1.024 124 E CA 0.526 56.900 56.400 -0.043 0.000 0.861 124 E CB 0.072 29.778 29.700 0.010 0.000 0.788 124 E HN 0.422 nan 8.360 nan 0.000 0.521 125 I N 0.696 121.140 120.570 -0.211 0.000 2.876 125 I HA -0.078 4.086 4.170 -0.009 0.000 0.264 125 I C 1.334 177.141 176.117 -0.517 0.000 1.204 125 I CA 0.115 61.228 61.300 -0.311 0.000 1.485 125 I CB 0.121 37.948 38.000 -0.289 0.000 1.103 125 I HN -0.019 nan 8.210 nan 0.000 0.446 126 E N 2.379 122.151 120.200 -0.714 0.000 2.384 126 E HA -0.065 4.280 4.350 -0.009 0.000 0.266 126 E C -0.076 176.427 176.600 -0.162 0.000 1.012 126 E CA -0.165 55.867 56.400 -0.612 0.000 0.901 126 E CB 0.665 30.133 29.700 -0.387 0.000 0.967 126 E HN 0.047 nan 8.360 nan 0.000 0.435 127 E N 2.854 123.057 120.200 0.005 0.000 2.331 127 E HA 0.090 4.435 4.350 -0.009 0.000 0.272 127 E C -1.227 175.479 176.600 0.178 0.000 1.036 127 E CA -0.302 56.188 56.400 0.149 0.000 0.864 127 E CB 0.811 30.688 29.700 0.294 0.000 1.035 127 E HN 0.354 nan 8.360 nan 0.000 0.408 128 D N 1.688 122.169 120.400 0.134 0.000 2.382 128 D HA 0.259 4.893 4.640 -0.009 0.000 0.245 128 D C -0.798 175.547 176.300 0.074 0.000 1.120 128 D CA 0.201 54.253 54.000 0.087 0.000 0.890 128 D CB 0.937 41.772 40.800 0.059 0.000 1.201 128 D HN 0.428 nan 8.370 nan 0.000 0.433 129 A N 2.313 125.131 122.820 -0.004 0.000 2.666 129 A HA 0.484 4.798 4.320 -0.009 0.000 0.312 129 A C 0.943 178.375 177.584 -0.253 0.000 1.471 129 A CA -0.461 51.393 52.037 -0.304 0.000 1.134 129 A CB -0.192 18.704 19.000 -0.172 0.000 1.129 129 A HN 0.520 nan 8.150 nan 0.000 0.539 130 G N 2.103 110.693 108.800 -0.350 0.000 3.717 130 G HA2 0.417 4.371 3.960 -0.009 0.000 0.258 130 G HA3 0.417 4.371 3.960 -0.009 0.000 0.258 130 G C 0.285 174.937 174.900 -0.412 0.000 1.088 130 G CA -0.295 44.659 45.100 -0.242 0.000 1.737 130 G HN 0.690 nan 8.290 nan 0.000 0.648 131 L N 1.470 122.509 121.223 -0.307 0.000 2.939 131 L HA 0.378 4.713 4.340 -0.009 0.000 0.239 131 L C 1.026 177.831 176.870 -0.109 0.000 1.325 131 L CA -0.195 54.579 54.840 -0.110 0.000 1.170 131 L CB -0.374 41.741 42.059 0.093 0.000 1.538 131 L HN 0.345 nan 8.230 nan 0.000 0.452 132 G N -1.270 107.239 108.800 -0.484 0.000 2.623 132 G HA2 0.200 4.155 3.960 -0.009 0.000 0.290 132 G HA3 0.200 4.155 3.960 -0.009 0.000 0.290 132 G C -0.187 174.256 174.900 -0.762 0.000 1.437 132 G CA -0.455 44.345 45.100 -0.499 0.000 0.798 132 G HN -0.075 nan 8.290 nan 0.000 0.488 133 N N -0.838 117.655 118.700 -0.346 0.000 2.436 133 N HA 0.214 4.949 4.740 -0.009 0.000 0.178 133 N C 1.141 176.675 175.510 0.040 0.000 1.026 133 N CA 1.262 54.205 53.050 -0.180 0.000 0.880 133 N CB 1.236 39.716 38.487 -0.013 0.000 1.061 133 N HN 0.789 nan 8.380 nan 0.000 0.434 134 G N -0.720 108.182 108.800 0.170 0.000 2.929 134 G HA2 0.266 4.220 3.960 -0.009 0.000 0.123 134 G HA3 0.266 4.220 3.960 -0.009 0.000 0.123 134 G C 0.728 175.755 174.900 0.212 0.000 1.212 134 G CA 0.273 45.537 45.100 0.274 0.000 1.238 134 G HN 0.160 nan 8.290 nan 0.000 0.617 135 G N 0.380 109.247 108.800 0.111 0.000 2.476 135 G HA2 -0.144 3.810 3.960 -0.009 0.000 0.218 135 G HA3 -0.144 3.810 3.960 -0.009 0.000 0.218 135 G C 1.872 176.770 174.900 -0.003 0.000 1.164 135 G CA 1.506 46.632 45.100 0.042 0.000 0.768 135 G HN 0.746 nan 8.290 nan 0.000 0.560 136 L N 0.592 121.791 121.223 -0.040 0.000 2.046 136 L HA 0.090 4.424 4.340 -0.009 0.000 0.208 136 L C 2.831 179.642 176.870 -0.099 0.000 1.077 136 L CA 1.975 56.708 54.840 -0.178 0.000 0.747 136 L CB -0.573 41.325 42.059 -0.270 0.000 0.896 136 L HN 0.241 nan 8.230 nan 0.000 0.432 137 G N -0.565 108.242 108.800 0.011 0.000 2.408 137 G HA2 -0.307 3.647 3.960 -0.009 0.000 0.217 137 G HA3 -0.307 3.647 3.960 -0.009 0.000 0.217 137 G C 1.635 176.619 174.900 0.140 0.000 1.150 137 G CA 0.692 45.828 45.100 0.060 0.000 0.776 137 G HN 0.310 nan 8.290 nan 0.000 0.542 138 R N -0.030 120.576 120.500 0.176 0.000 2.148 138 R HA 0.151 4.486 4.340 -0.009 0.000 0.223 138 R C 2.243 178.552 176.300 0.015 0.000 1.088 138 R CA 0.680 56.848 56.100 0.114 0.000 0.985 138 R CB -0.739 29.579 30.300 0.030 0.000 0.880 138 R HN 0.340 nan 8.270 nan 0.000 0.451 139 L N -0.006 121.159 121.223 -0.097 0.000 2.056 139 L HA 0.068 4.403 4.340 -0.009 0.000 0.207 139 L C 2.049 178.629 176.870 -0.484 0.000 1.078 139 L CA 2.066 56.707 54.840 -0.331 0.000 0.749 139 L CB -0.779 41.051 42.059 -0.383 0.000 0.901 139 L HN 0.230 nan 8.230 nan 0.000 0.433 140 A N -0.537 122.139 122.820 -0.239 0.000 1.933 140 A HA -0.122 4.193 4.320 -0.009 0.000 0.218 140 A C 2.439 180.089 177.584 0.110 0.000 1.175 140 A CA 1.757 53.729 52.037 -0.107 0.000 0.628 140 A CB -1.109 17.800 19.000 -0.151 0.000 0.814 140 A HN 0.559 nan 8.150 nan 0.000 0.444 141 A N -1.058 121.858 122.820 0.161 0.000 1.898 141 A HA -0.157 4.157 4.320 -0.009 0.000 0.216 141 A C 2.301 179.968 177.584 0.138 0.000 1.181 141 A CA 1.650 53.806 52.037 0.199 0.000 0.620 141 A CB -1.246 17.858 19.000 0.173 0.000 0.819 141 A HN 0.592 nan 8.150 nan 0.000 0.442 142 C N -1.497 117.882 119.300 0.131 0.000 2.440 142 C HA -0.039 4.415 4.460 -0.009 0.000 0.278 142 C C 2.416 177.578 174.990 0.288 0.000 1.295 142 C CA 0.517 59.654 59.018 0.198 0.000 1.738 142 C CB -1.599 26.280 27.740 0.233 0.000 1.987 142 C HN 0.603 nan 8.230 nan 0.000 0.492 143 F N 1.224 121.164 119.950 -0.016 0.000 2.134 143 F HA -0.057 4.464 4.527 -0.009 0.000 0.299 143 F C 2.229 177.974 175.800 -0.091 0.000 1.097 143 F CA 1.016 58.953 58.000 -0.104 0.000 1.264 143 F CB -1.346 37.456 39.000 -0.329 0.000 1.001 143 F HN 0.191 nan 8.300 nan 0.000 0.479 144 L N -0.428 120.876 121.223 0.136 0.000 2.046 144 L HA -0.243 4.092 4.340 -0.009 0.000 0.208 144 L C 2.149 179.034 176.870 0.026 0.000 1.077 144 L CA 1.896 56.769 54.840 0.055 0.000 0.747 144 L CB -0.772 41.319 42.059 0.053 0.000 0.896 144 L HN 0.103 nan 8.230 nan 0.000 0.432 145 D N -0.392 120.034 120.400 0.043 0.000 2.097 145 D HA -0.177 4.458 4.640 -0.009 0.000 0.195 145 D C 2.207 178.525 176.300 0.031 0.000 0.989 145 D CA 1.565 55.575 54.000 0.017 0.000 0.827 145 D CB 0.196 41.006 40.800 0.015 0.000 0.966 145 D HN 0.079 nan 8.370 nan 0.000 0.456 146 S N -0.702 115.032 115.700 0.058 0.000 2.368 146 S HA -0.110 4.354 4.470 -0.009 0.000 0.224 146 S C 2.007 176.622 174.600 0.024 0.000 1.029 146 S CA 0.913 59.138 58.200 0.041 0.000 0.988 146 S CB -0.235 62.992 63.200 0.045 0.000 0.838 146 S HN 0.346 nan 8.310 nan 0.000 0.462 147 M N 0.990 120.598 119.600 0.013 0.000 2.159 147 M HA -0.097 4.378 4.480 -0.009 0.000 0.263 147 M C 2.422 178.727 176.300 0.007 0.000 1.063 147 M CA 1.399 56.705 55.300 0.009 0.000 1.110 147 M CB -0.510 32.077 32.600 -0.021 0.000 1.374 147 M HN 0.395 nan 8.290 nan 0.000 0.411 148 A N -0.379 122.442 122.820 0.002 0.000 1.929 148 A HA -0.094 4.220 4.320 -0.009 0.000 0.216 148 A C 2.154 179.755 177.584 0.029 0.000 1.176 148 A CA 1.808 53.850 52.037 0.008 0.000 0.628 148 A CB -0.938 18.050 19.000 -0.020 0.000 0.816 148 A HN 0.402 nan 8.150 nan 0.000 0.444 149 T N 0.205 114.781 114.554 0.036 0.000 2.962 149 T HA 0.050 4.395 4.350 -0.009 0.000 0.270 149 T C 1.218 175.950 174.700 0.053 0.000 1.088 149 T CA 0.908 63.042 62.100 0.058 0.000 1.127 149 T CB -0.240 68.671 68.868 0.070 0.000 0.883 149 T HN 0.334 nan 8.240 nan 0.000 0.493 150 L N 0.481 121.732 121.223 0.046 0.000 2.685 150 L HA 0.318 4.653 4.340 -0.009 0.000 0.233 150 L C 1.570 178.474 176.870 0.057 0.000 1.173 150 L CA -0.191 54.678 54.840 0.048 0.000 0.961 150 L CB -0.336 41.751 42.059 0.046 0.000 1.217 150 L HN 0.354 nan 8.230 nan 0.000 0.478 151 G N 1.246 110.084 108.800 0.064 0.000 2.283 151 G HA2 -0.291 3.664 3.960 -0.009 0.000 0.280 151 G HA3 -0.291 3.664 3.960 -0.009 0.000 0.280 151 G C 0.109 175.065 174.900 0.094 0.000 1.029 151 G CA 0.150 45.309 45.100 0.097 0.000 0.840 151 G HN 0.299 nan 8.290 nan 0.000 0.505 152 L N -0.228 121.018 121.223 0.038 0.000 2.334 152 L HA 0.608 4.943 4.340 -0.009 0.000 0.277 152 L C 1.182 177.934 176.870 -0.198 0.000 1.075 152 L CA -0.411 54.402 54.840 -0.045 0.000 0.804 152 L CB 1.636 43.682 42.059 -0.021 0.000 1.174 152 L HN 0.249 nan 8.230 nan 0.000 0.438 153 A N 3.109 125.665 122.820 -0.440 0.000 2.981 153 A HA 0.560 4.875 4.320 -0.009 0.000 0.280 153 A C 0.295 177.512 177.584 -0.611 0.000 1.743 153 A CA -0.164 51.306 52.037 -0.945 0.000 1.430 153 A CB -0.636 17.690 19.000 -1.124 0.000 1.085 153 A HN 0.697 nan 8.150 nan 0.000 0.597 154 A N 1.444 123.958 122.820 -0.510 0.000 2.340 154 A HA 0.804 5.118 4.320 -0.009 0.000 0.331 154 A C -1.025 176.268 177.584 -0.486 0.000 1.140 154 A CA -0.465 51.332 52.037 -0.400 0.000 0.801 154 A CB 0.766 19.614 19.000 -0.253 0.000 1.234 154 A HN 0.623 nan 8.150 nan 0.000 0.469 155 Y N 0.180 120.408 120.300 -0.120 0.000 2.373 155 Y HA 0.530 5.074 4.550 -0.009 0.000 0.336 155 Y C 0.817 176.797 175.900 0.133 0.000 0.979 155 Y CA -0.502 57.599 58.100 0.001 0.000 1.080 155 Y CB 2.388 40.932 38.460 0.140 0.000 1.190 155 Y HN 0.839 nan 8.280 nan 0.000 0.446 156 G N 2.279 111.152 108.800 0.121 0.000 2.338 156 G HA2 0.449 4.404 3.960 -0.009 0.000 0.298 156 G HA3 0.449 4.404 3.960 -0.009 0.000 0.298 156 G C -1.743 173.185 174.900 0.047 0.000 1.140 156 G CA -0.247 44.967 45.100 0.190 0.000 0.860 156 G HN 0.520 nan 8.290 nan 0.000 0.470 157 Y N 1.073 121.620 120.300 0.412 0.000 2.350 157 Y HA 0.628 5.173 4.550 -0.009 0.000 0.338 157 Y C 0.744 176.958 175.900 0.524 0.000 0.961 157 Y CA 0.183 58.487 58.100 0.339 0.000 1.100 157 Y CB 2.649 41.324 38.460 0.359 0.000 1.179 157 Y HN 0.877 nan 8.280 nan 0.000 0.454 158 G N 2.368 111.502 108.800 0.557 0.000 2.753 158 G HA2 0.590 4.544 3.960 -0.009 0.000 0.303 158 G HA3 0.590 4.544 3.960 -0.009 0.000 0.303 158 G C -1.712 173.425 174.900 0.395 0.000 1.242 158 G CA -0.825 44.619 45.100 0.574 0.000 0.810 158 G HN 0.425 nan 8.290 nan 0.000 0.515 159 I N 0.464 121.163 120.570 0.215 0.000 2.493 159 I HA 0.451 4.616 4.170 -0.009 0.000 0.298 159 I C 0.239 176.257 176.117 -0.165 0.000 0.998 159 I CA -0.757 60.558 61.300 0.025 0.000 1.137 159 I CB 2.237 40.084 38.000 -0.255 0.000 1.310 159 I HN 0.369 nan 8.210 nan 0.000 0.445 160 R N 5.835 126.339 120.500 0.007 0.000 2.593 160 R HA 0.259 4.593 4.340 -0.009 0.000 0.282 160 R C -1.338 175.019 176.300 0.094 0.000 1.300 160 R CA -0.452 55.692 56.100 0.073 0.000 1.221 160 R CB 0.023 30.349 30.300 0.043 0.000 1.157 160 R HN 0.400 nan 8.270 nan 0.000 0.555 161 Y N 1.672 122.141 120.300 0.281 0.000 2.425 161 Y HA -0.031 4.513 4.550 -0.009 0.000 0.331 161 Y C 1.458 177.550 175.900 0.321 0.000 1.157 161 Y CA 0.011 58.267 58.100 0.260 0.000 1.372 161 Y CB 0.861 39.449 38.460 0.212 0.000 1.253 161 Y HN 0.570 nan 8.280 nan 0.000 0.536 162 E N 1.803 122.196 120.200 0.322 0.000 2.107 162 E HA -0.064 4.281 4.350 -0.009 0.000 0.191 162 E C -0.711 175.792 176.600 -0.162 0.000 0.982 162 E CA 0.827 57.214 56.400 -0.022 0.000 0.809 162 E CB 0.144 29.716 29.700 -0.214 0.000 0.756 162 E HN 0.424 nan 8.360 nan 0.000 0.459 163 F N -0.256 119.922 119.950 0.380 0.000 2.477 163 F HA 0.396 4.917 4.527 -0.009 0.000 0.335 163 F C 0.786 176.682 175.800 0.159 0.000 1.130 163 F CA -0.965 57.212 58.000 0.296 0.000 0.948 163 F CB 1.806 40.908 39.000 0.170 0.000 1.154 163 F HN -0.160 nan 8.300 nan 0.000 0.439 164 G N 1.865 110.776 108.800 0.184 0.000 2.582 164 G HA2 0.352 4.307 3.960 -0.009 0.000 0.232 164 G HA3 0.352 4.307 3.960 -0.009 0.000 0.232 164 G C -0.543 174.316 174.900 -0.069 0.000 1.458 164 G CA -0.689 44.361 45.100 -0.083 0.000 1.062 164 G HN 0.536 nan 8.290 nan 0.000 0.566 165 I N 0.980 121.427 120.570 -0.206 0.000 2.752 165 I HA 0.211 4.375 4.170 -0.009 0.000 0.289 165 I C 0.489 176.507 176.117 -0.164 0.000 1.197 165 I CA -1.210 59.939 61.300 -0.251 0.000 1.432 165 I CB -0.318 37.433 38.000 -0.415 0.000 1.359 165 I HN 0.323 nan 8.210 nan 0.000 0.571 166 F N 6.409 126.372 119.950 0.021 0.000 2.589 166 F HA 0.283 4.805 4.527 -0.009 0.000 0.352 166 F C 0.448 176.299 175.800 0.086 0.000 1.168 166 F CA -0.586 57.450 58.000 0.059 0.000 1.353 166 F CB -0.298 38.723 39.000 0.035 0.000 1.116 166 F HN 0.427 nan 8.300 nan 0.000 0.608 167 N N 2.443 121.337 118.700 0.322 0.000 2.458 167 N HA 0.055 4.790 4.740 -0.009 0.000 0.270 167 N C -0.806 174.951 175.510 0.413 0.000 1.102 167 N CA -0.287 52.919 53.050 0.260 0.000 0.967 167 N CB 1.197 39.822 38.487 0.230 0.000 1.078 167 N HN 0.764 nan 8.380 nan 0.000 0.471 168 Q N 2.490 122.505 119.800 0.360 0.000 2.274 168 Q HA 0.165 4.500 4.340 -0.009 0.000 0.256 168 Q C -0.940 175.221 176.000 0.270 0.000 0.927 168 Q CA -0.268 55.777 55.803 0.402 0.000 0.939 168 Q CB 0.683 29.666 28.738 0.409 0.000 1.201 168 Q HN 0.219 nan 8.270 nan 0.000 0.426 169 K N 4.310 124.840 120.400 0.217 0.000 2.259 169 K HA 0.468 4.782 4.320 -0.009 0.000 0.252 169 K C -0.770 175.906 176.600 0.127 0.000 0.936 169 K CA -0.876 55.508 56.287 0.162 0.000 0.810 169 K CB 1.613 34.194 32.500 0.136 0.000 1.143 169 K HN 0.637 nan 8.250 nan 0.000 0.427 170 I N 2.638 123.268 120.570 0.100 0.000 2.330 170 I HA 0.221 4.386 4.170 -0.009 0.000 0.289 170 I C -0.246 175.907 176.117 0.061 0.000 1.001 170 I CA -0.626 60.704 61.300 0.051 0.000 1.193 170 I CB 0.729 38.732 38.000 0.005 0.000 1.345 170 I HN 0.404 nan 8.210 nan 0.000 0.461 171 C N 3.870 123.223 119.300 0.088 0.000 2.340 171 C HA 0.596 5.051 4.460 -0.009 0.000 0.323 171 C C 1.185 176.272 174.990 0.162 0.000 1.260 171 C CA -0.341 58.739 59.018 0.104 0.000 1.464 171 C CB 0.679 28.477 27.740 0.097 0.000 2.156 171 C HN 1.082 nan 8.230 nan 0.000 0.476 172 G N 2.413 111.284 108.800 0.119 0.000 2.258 172 G HA2 0.084 4.038 3.960 -0.009 0.000 0.274 172 G HA3 0.084 4.038 3.960 -0.009 0.000 0.274 172 G C 1.102 176.022 174.900 0.033 0.000 1.021 172 G CA 1.060 46.247 45.100 0.146 0.000 0.798 172 G HN 2.419 nan 8.290 nan 0.000 0.507 173 G N -3.012 105.744 108.800 -0.073 0.000 2.179 173 G HA2 -0.288 3.667 3.960 -0.009 0.000 0.260 173 G HA3 -0.288 3.667 3.960 -0.009 0.000 0.260 173 G C 0.335 174.974 174.900 -0.434 0.000 0.977 173 G CA 0.667 45.597 45.100 -0.283 0.000 0.641 173 G HN 1.179 nan 8.290 nan 0.000 0.533 174 W N 0.647 121.883 121.300 -0.107 0.000 2.512 174 W HA 0.666 5.321 4.660 -0.009 0.000 0.335 174 W C 0.601 177.052 176.519 -0.112 0.000 1.088 174 W CA -0.887 56.388 57.345 -0.117 0.000 1.236 174 W CB 0.854 30.263 29.460 -0.085 0.000 1.307 174 W HN 0.245 nan 8.180 nan 0.000 0.567 175 Q N 2.971 122.854 119.800 0.139 0.000 2.304 175 Q HA 0.302 4.636 4.340 -0.009 0.000 0.260 175 Q C -0.678 175.364 176.000 0.070 0.000 0.965 175 Q CA 0.049 55.898 55.803 0.077 0.000 0.898 175 Q CB 0.604 29.379 28.738 0.062 0.000 1.196 175 Q HN 0.315 nan 8.270 nan 0.000 0.402 176 M N 3.159 122.794 119.600 0.058 0.000 2.393 176 M HA 0.388 4.863 4.480 -0.009 0.000 0.316 176 M C -1.183 175.109 176.300 -0.015 0.000 1.087 176 M CA -0.677 54.627 55.300 0.007 0.000 0.937 176 M CB 1.772 34.394 32.600 0.036 0.000 1.668 176 M HN 0.618 nan 8.290 nan 0.000 0.438 177 E N 1.813 121.929 120.200 -0.140 0.000 2.204 177 E HA 0.523 4.868 4.350 -0.009 0.000 0.276 177 E C -0.661 175.915 176.600 -0.040 0.000 0.974 177 E CA -0.602 55.672 56.400 -0.211 0.000 0.815 177 E CB 1.674 30.956 29.700 -0.697 0.000 1.119 177 E HN 0.538 nan 8.360 nan 0.000 0.393 178 E N 0.849 121.113 120.200 0.107 0.000 2.331 178 E HA 0.675 5.019 4.350 -0.009 0.000 0.275 178 E C -1.123 175.570 176.600 0.154 0.000 0.895 178 E CA -1.448 55.010 56.400 0.096 0.000 0.753 178 E CB 1.405 31.170 29.700 0.109 0.000 1.216 178 E HN 0.489 nan 8.360 nan 0.000 0.434 179 A N 2.513 125.379 122.820 0.077 0.000 2.584 179 A HA -0.002 4.313 4.320 -0.009 0.000 0.239 179 A C 0.021 177.782 177.584 0.295 0.000 1.043 179 A CA 0.597 52.691 52.037 0.095 0.000 0.756 179 A CB -0.086 18.839 19.000 -0.125 0.000 0.963 179 A HN 0.685 nan 8.150 nan 0.000 0.511 180 D N 1.711 122.363 120.400 0.420 0.000 2.524 180 D HA 0.213 4.847 4.640 -0.009 0.000 0.222 180 D C -0.370 176.268 176.300 0.563 0.000 1.142 180 D CA -0.230 54.017 54.000 0.411 0.000 0.973 180 D CB 0.281 41.255 40.800 0.291 0.000 1.025 180 D HN 0.408 nan 8.370 nan 0.000 0.519 181 D N 3.421 124.113 120.400 0.486 0.000 2.801 181 D HA -0.030 4.604 4.640 -0.009 0.000 0.232 181 D C 1.277 177.708 176.300 0.218 0.000 1.128 181 D CA -0.530 53.654 54.000 0.307 0.000 1.003 181 D CB -0.197 40.787 40.800 0.307 0.000 1.110 181 D HN 0.520 nan 8.370 nan 0.000 0.477 182 W N 1.563 122.899 121.300 0.061 0.000 2.468 182 W HA -0.075 4.579 4.660 -0.009 0.000 0.262 182 W C 0.083 176.654 176.519 0.087 0.000 1.241 182 W CA 0.190 57.591 57.345 0.094 0.000 1.232 182 W CB -0.770 28.748 29.460 0.098 0.000 1.124 182 W HN 0.205 nan 8.180 nan 0.000 0.597 183 L N 0.851 121.710 121.223 -0.606 0.000 2.607 183 L HA 0.156 4.491 4.340 -0.009 0.000 0.228 183 L C 2.762 179.464 176.870 -0.280 0.000 1.123 183 L CA -0.008 54.453 54.840 -0.632 0.000 0.890 183 L CB -0.637 40.931 42.059 -0.817 0.000 1.103 183 L HN -0.100 nan 8.230 nan 0.000 0.468 184 R N 0.800 121.191 120.500 -0.182 0.000 2.136 184 R HA -0.258 4.076 4.340 -0.009 0.000 0.242 184 R C 1.488 177.603 176.300 -0.309 0.000 1.131 184 R CA 2.302 58.257 56.100 -0.242 0.000 0.937 184 R CB -0.316 29.829 30.300 -0.258 0.000 0.863 184 R HN 0.284 nan 8.270 nan 0.000 0.435 185 Y N -0.351 119.965 120.300 0.026 0.000 2.466 185 Y HA 0.303 4.848 4.550 -0.009 0.000 0.272 185 Y C 0.850 176.736 175.900 -0.024 0.000 1.169 185 Y CA 0.560 58.680 58.100 0.034 0.000 1.285 185 Y CB 0.701 39.290 38.460 0.215 0.000 1.078 185 Y HN 0.511 nan 8.280 nan 0.000 0.523 186 G N 1.182 110.021 108.800 0.064 0.000 2.663 186 G HA2 -0.215 3.739 3.960 -0.009 0.000 0.686 186 G HA3 -0.215 3.739 3.960 -0.009 0.000 0.686 186 G C -1.252 173.728 174.900 0.134 0.000 1.246 186 G CA -0.854 44.256 45.100 0.017 0.000 0.795 186 G HN 0.230 nan 8.290 nan 0.000 0.627 187 N N 1.392 120.117 118.700 0.041 0.000 2.569 187 N HA 0.546 5.280 4.740 -0.009 0.000 0.254 187 N C -0.523 174.996 175.510 0.015 0.000 1.004 187 N CA -1.913 51.181 53.050 0.074 0.000 0.904 187 N CB 2.011 40.482 38.487 -0.026 0.000 1.165 187 N HN 0.261 nan 8.380 nan 0.000 0.513 188 P HA -0.031 nan 4.420 nan 0.000 0.223 188 P C 0.687 177.673 177.300 -0.525 0.000 1.151 188 P CA 0.847 63.641 63.100 -0.511 0.000 0.787 188 P CB 0.121 31.211 31.700 -1.015 0.000 0.788 189 W N 1.968 123.278 121.300 0.017 0.000 2.518 189 W HA 0.028 4.683 4.660 -0.009 0.000 0.273 189 W C 1.371 177.933 176.519 0.073 0.000 1.247 189 W CA -0.269 57.085 57.345 0.015 0.000 1.288 189 W CB -0.319 29.152 29.460 0.020 0.000 1.107 189 W HN 0.044 nan 8.180 nan 0.000 0.586 190 E N 1.565 121.941 120.200 0.294 0.000 2.283 190 E HA 0.364 4.709 4.350 -0.009 0.000 0.267 190 E C -0.651 176.123 176.600 0.291 0.000 1.045 190 E CA -0.811 55.776 56.400 0.313 0.000 0.884 190 E CB 1.368 31.267 29.700 0.330 0.000 1.106 190 E HN -0.331 nan 8.360 nan 0.000 0.408 191 K N 1.371 121.957 120.400 0.310 0.000 2.579 191 K HA 0.416 4.731 4.320 -0.009 0.000 0.250 191 K C -1.282 175.340 176.600 0.036 0.000 0.952 191 K CA -0.475 55.923 56.287 0.185 0.000 0.857 191 K CB 1.573 34.190 32.500 0.194 0.000 1.123 191 K HN 0.668 nan 8.250 nan 0.000 0.433 192 A N 4.186 126.935 122.820 -0.118 0.000 2.477 192 A HA 0.367 4.681 4.320 -0.009 0.000 0.246 192 A C -0.239 177.148 177.584 -0.329 0.000 1.078 192 A CA -0.146 51.572 52.037 -0.531 0.000 0.770 192 A CB 0.219 18.892 19.000 -0.544 0.000 1.011 192 A HN 0.650 nan 8.150 nan 0.000 0.494 193 R N 3.359 123.658 120.500 -0.336 0.000 2.983 193 R HA 0.197 4.531 4.340 -0.009 0.000 0.300 193 R C -2.248 173.903 176.300 -0.249 0.000 1.367 193 R CA -1.782 54.174 56.100 -0.240 0.000 1.564 193 R CB 0.569 30.877 30.300 0.012 0.000 1.314 193 R HN 0.607 nan 8.270 nan 0.000 0.622 194 P HA -0.212 nan 4.420 nan 0.000 0.218 194 P C 0.848 178.053 177.300 -0.158 0.000 1.146 194 P CA 1.248 64.257 63.100 -0.152 0.000 0.813 194 P CB 0.370 31.992 31.700 -0.131 0.000 0.778 195 E N 0.078 120.075 120.200 -0.339 0.000 2.338 195 E HA -0.137 4.208 4.350 -0.009 0.000 0.197 195 E C 1.079 177.506 176.600 -0.289 0.000 1.007 195 E CA 0.772 56.936 56.400 -0.394 0.000 0.849 195 E CB -1.047 28.279 29.700 -0.623 0.000 0.774 195 E HN 0.400 nan 8.360 nan 0.000 0.506 196 F N 1.728 121.694 119.950 0.026 0.000 2.684 196 F HA 0.217 4.738 4.527 -0.009 0.000 0.298 196 F C 0.554 176.450 175.800 0.160 0.000 1.120 196 F CA -0.688 57.358 58.000 0.077 0.000 1.332 196 F CB 0.579 39.618 39.000 0.065 0.000 0.986 196 F HN -0.277 nan 8.300 nan 0.000 0.524 197 T N 2.942 117.646 114.554 0.250 0.000 2.934 197 T HA 0.180 4.525 4.350 -0.009 0.000 0.306 197 T C -0.227 174.581 174.700 0.181 0.000 1.042 197 T CA 0.374 62.617 62.100 0.238 0.000 1.145 197 T CB 0.715 69.669 68.868 0.144 0.000 0.982 197 T HN -0.120 nan 8.240 nan 0.000 0.544 198 L N 5.670 126.965 121.223 0.121 0.000 2.354 198 L HA 0.585 4.920 4.340 -0.009 0.000 0.264 198 L C -2.197 174.623 176.870 -0.084 0.000 1.008 198 L CA -2.550 52.281 54.840 -0.016 0.000 0.819 198 L CB 1.993 43.968 42.059 -0.140 0.000 1.339 198 L HN 0.389 nan 8.230 nan 0.000 0.420 199 P HA 0.390 nan 4.420 nan 0.000 0.288 199 P C -1.274 175.867 177.300 -0.265 0.000 1.267 199 P CA -0.407 62.594 63.100 -0.165 0.000 0.815 199 P CB 2.003 33.600 31.700 -0.170 0.000 0.989 200 V N 3.851 123.600 119.914 -0.275 0.000 2.656 200 V HA 0.337 4.451 4.120 -0.009 0.000 0.307 200 V C 0.148 176.006 176.094 -0.393 0.000 1.051 200 V CA -0.623 61.505 62.300 -0.286 0.000 0.893 200 V CB 1.596 33.343 31.823 -0.128 0.000 0.999 200 V HN 0.611 nan 8.190 nan 0.000 0.426 201 H N 3.673 122.592 119.070 -0.252 0.000 2.472 201 H HA 0.642 5.192 4.556 -0.009 0.000 0.338 201 H C -1.288 173.747 175.328 -0.487 0.000 1.133 201 H CA -0.170 55.641 56.048 -0.395 0.000 1.216 201 H CB 1.920 31.182 29.762 -0.832 0.000 1.497 201 H HN 0.478 nan 8.280 nan 0.000 0.500 202 F N 0.163 120.142 119.950 0.049 0.000 2.613 202 F HA 0.213 4.735 4.527 -0.009 0.000 0.314 202 F C -0.230 175.651 175.800 0.134 0.000 1.075 202 F CA -0.565 57.464 58.000 0.048 0.000 0.945 202 F CB 1.008 39.917 39.000 -0.151 0.000 1.310 202 F HN 0.529 nan 8.300 nan 0.000 0.467 203 Y N 0.191 120.782 120.300 0.484 0.000 2.896 203 Y HA -0.007 4.538 4.550 -0.009 0.000 0.466 203 Y C 1.363 177.509 175.900 0.411 0.000 1.196 203 Y CA 0.719 59.025 58.100 0.344 0.000 2.514 203 Y CB -1.899 36.691 38.460 0.216 0.000 1.231 203 Y HN 1.311 nan 8.280 nan 0.000 0.632 204 G N 0.635 109.705 108.800 0.451 0.000 2.593 204 G HA2 0.098 4.053 3.960 -0.009 0.000 0.237 204 G HA3 0.098 4.053 3.960 -0.009 0.000 0.237 204 G C -0.542 174.566 174.900 0.347 0.000 1.312 204 G CA 0.891 46.178 45.100 0.310 0.000 0.896 204 G HN 1.353 nan 8.290 nan 0.000 0.574 205 R N -2.534 118.164 120.500 0.330 0.000 2.752 205 R HA 0.713 5.047 4.340 -0.009 0.000 0.271 205 R C -1.377 175.053 176.300 0.215 0.000 1.026 205 R CA -0.983 55.254 56.100 0.228 0.000 0.901 205 R CB 1.345 31.726 30.300 0.134 0.000 1.243 205 R HN 0.875 nan 8.270 nan 0.000 0.463 206 V N 0.906 120.858 119.914 0.064 0.000 2.394 206 V HA 0.345 4.459 4.120 -0.009 0.000 0.282 206 V C -0.190 175.811 176.094 -0.155 0.000 1.031 206 V CA -0.513 61.745 62.300 -0.069 0.000 0.881 206 V CB 1.332 33.041 31.823 -0.191 0.000 0.982 206 V HN 0.685 nan 8.190 nan 0.000 0.451 207 E N 2.947 123.041 120.200 -0.178 0.000 2.158 207 E HA 0.394 4.738 4.350 -0.009 0.000 0.271 207 E C -1.018 175.432 176.600 -0.249 0.000 0.911 207 E CA -0.707 55.607 56.400 -0.143 0.000 0.767 207 E CB 0.921 30.598 29.700 -0.039 0.000 1.120 207 E HN 0.669 nan 8.360 nan 0.000 0.405 208 H N 2.952 122.036 119.070 0.023 0.000 2.724 208 H HA 0.139 4.690 4.556 -0.009 0.000 0.278 208 H C 0.279 175.614 175.328 0.013 0.000 1.159 208 H CA -0.217 55.840 56.048 0.014 0.000 1.254 208 H CB 0.443 30.209 29.762 0.007 0.000 1.412 208 H HN 0.548 nan 8.280 nan 0.000 0.488 209 T N -1.276 113.335 114.554 0.095 0.000 2.852 209 T HA 0.102 4.446 4.350 -0.009 0.000 0.281 209 T C 1.792 176.530 174.700 0.063 0.000 0.993 209 T CA -0.209 61.929 62.100 0.064 0.000 0.933 209 T CB 1.504 70.394 68.868 0.037 0.000 1.187 209 T HN 0.365 nan 8.240 nan 0.000 0.559 210 S N -0.208 115.518 115.700 0.043 0.000 2.354 210 S HA -0.161 4.304 4.470 -0.009 0.000 0.219 210 S C 1.265 175.887 174.600 0.036 0.000 1.035 210 S CA 1.333 59.553 58.200 0.034 0.000 1.037 210 S CB -0.779 62.436 63.200 0.025 0.000 0.956 210 S HN 0.716 nan 8.310 nan 0.000 0.428 211 Q N 1.199 121.019 119.800 0.033 0.000 3.006 211 Q HA 0.547 4.881 4.340 -0.009 0.000 0.260 211 Q C 0.049 176.072 176.000 0.038 0.000 1.356 211 Q CA 0.584 56.407 55.803 0.033 0.000 1.070 211 Q CB 0.150 28.904 28.738 0.026 0.000 1.507 211 Q HN 0.709 nan 8.270 nan 0.000 0.568 212 G N 0.184 109.016 108.800 0.053 0.000 2.619 212 G HA2 0.145 4.099 3.960 -0.009 0.000 0.686 212 G HA3 0.145 4.099 3.960 -0.009 0.000 0.686 212 G C -0.932 174.010 174.900 0.071 0.000 1.256 212 G CA -0.710 44.428 45.100 0.062 0.000 0.826 212 G HN 0.607 nan 8.290 nan 0.000 0.619 213 A N 0.638 123.500 122.820 0.070 0.000 2.304 213 A HA 0.827 5.142 4.320 -0.009 0.000 0.301 213 A C 0.384 177.943 177.584 -0.042 0.000 1.132 213 A CA -0.066 51.963 52.037 -0.012 0.000 0.819 213 A CB 0.858 19.844 19.000 -0.023 0.000 1.094 213 A HN 0.787 nan 8.150 nan 0.000 0.492 214 K N 0.767 121.122 120.400 -0.075 0.000 2.378 214 K HA 0.251 4.566 4.320 -0.009 0.000 0.252 214 K C -1.763 174.869 176.600 0.053 0.000 0.931 214 K CA -0.397 55.885 56.287 -0.008 0.000 0.794 214 K CB 2.236 34.732 32.500 -0.007 0.000 1.181 214 K HN 0.713 nan 8.250 nan 0.000 0.425 215 W N 5.193 126.410 121.300 -0.139 0.000 2.308 215 W HA 0.356 5.011 4.660 -0.009 0.000 0.311 215 W C -0.728 175.719 176.519 -0.120 0.000 1.088 215 W CA -0.812 56.454 57.345 -0.132 0.000 1.309 215 W CB 0.179 29.550 29.460 -0.148 0.000 1.229 215 W HN 0.349 nan 8.180 nan 0.000 0.427 216 V N 2.646 122.612 119.914 0.087 0.000 3.155 216 V HA 0.611 4.726 4.120 -0.009 0.000 0.313 216 V C -0.092 175.974 176.094 -0.046 0.000 1.162 216 V CA -0.925 61.342 62.300 -0.054 0.000 1.048 216 V CB 1.887 33.707 31.823 -0.006 0.000 1.092 216 V HN 0.451 nan 8.190 nan 0.000 0.447 217 D N 0.213 120.586 120.400 -0.045 0.000 2.772 217 D HA -0.142 4.493 4.640 -0.009 0.000 0.233 217 D C 0.562 176.863 176.300 0.002 0.000 1.143 217 D CA 1.511 55.509 54.000 -0.003 0.000 0.700 217 D CB -1.663 39.159 40.800 0.037 0.000 1.076 217 D HN 1.301 nan 8.370 nan 0.000 0.430 218 T N -3.066 111.435 114.554 -0.088 0.000 2.874 218 T HA 0.367 4.711 4.350 -0.009 0.000 0.281 218 T C 0.289 175.035 174.700 0.077 0.000 0.994 218 T CA -0.796 61.265 62.100 -0.065 0.000 1.015 218 T CB 2.519 71.156 68.868 -0.385 0.000 1.028 218 T HN 0.164 nan 8.240 nan 0.000 0.523 219 Q N 0.997 120.909 119.800 0.187 0.000 2.257 219 Q HA 0.502 4.837 4.340 -0.009 0.000 0.255 219 Q C -1.398 174.706 176.000 0.173 0.000 0.920 219 Q CA -0.784 55.142 55.803 0.206 0.000 0.927 219 Q CB 1.175 30.119 28.738 0.344 0.000 1.229 219 Q HN 0.630 nan 8.270 nan 0.000 0.433 220 V N 4.358 124.320 119.914 0.080 0.000 2.427 220 V HA 0.436 4.551 4.120 -0.009 0.000 0.286 220 V C -0.387 175.744 176.094 0.062 0.000 1.034 220 V CA -0.610 61.674 62.300 -0.026 0.000 0.893 220 V CB 1.722 33.475 31.823 -0.116 0.000 0.982 220 V HN 0.598 nan 8.190 nan 0.000 0.452 221 V N 5.968 125.945 119.914 0.105 0.000 2.588 221 V HA 0.464 4.578 4.120 -0.009 0.000 0.304 221 V C -0.187 176.001 176.094 0.157 0.000 1.042 221 V CA -0.585 61.815 62.300 0.167 0.000 0.877 221 V CB 1.920 33.913 31.823 0.284 0.000 0.996 221 V HN 0.640 nan 8.190 nan 0.000 0.425 222 L N 3.712 125.025 121.223 0.149 0.000 2.371 222 L HA 0.718 5.052 4.340 -0.009 0.000 0.272 222 L C 0.505 177.559 176.870 0.306 0.000 1.124 222 L CA -0.275 54.658 54.840 0.155 0.000 0.816 222 L CB 1.270 43.401 42.059 0.120 0.000 1.129 222 L HN 0.750 nan 8.230 nan 0.000 0.448 223 A N 5.102 128.055 122.820 0.221 0.000 2.267 223 A HA 0.577 4.892 4.320 -0.009 0.000 0.315 223 A C -0.488 177.371 177.584 0.457 0.000 1.297 223 A CA -0.470 51.736 52.037 0.282 0.000 0.865 223 A CB 0.912 19.629 19.000 -0.471 0.000 1.165 223 A HN 0.781 nan 8.150 nan 0.000 0.513 224 M N 6.242 126.175 119.600 0.555 0.000 2.129 224 M HA 0.441 4.915 4.480 -0.009 0.000 0.348 224 M C -2.588 174.000 176.300 0.480 0.000 1.116 224 M CA -2.145 53.423 55.300 0.447 0.000 1.022 224 M CB 2.082 34.864 32.600 0.304 0.000 1.599 224 M HN 0.386 nan 8.290 nan 0.000 0.449 225 P HA 0.252 nan 4.420 nan 0.000 0.286 225 P C -1.952 175.295 177.300 -0.090 0.000 1.261 225 P CA -0.131 62.908 63.100 -0.102 0.000 0.821 225 P CB 0.757 32.151 31.700 -0.510 0.000 1.013 226 Y N 0.499 120.748 120.300 -0.086 0.000 2.331 226 Y HA 0.311 4.856 4.550 -0.009 0.000 0.334 226 Y C 0.164 176.063 175.900 -0.001 0.000 0.960 226 Y CA -0.271 57.834 58.100 0.008 0.000 1.130 226 Y CB 1.397 39.891 38.460 0.058 0.000 1.164 226 Y HN 0.214 nan 8.280 nan 0.000 0.458 227 D N 1.990 122.503 120.400 0.188 0.000 2.193 227 D HA 0.403 5.038 4.640 -0.009 0.000 0.244 227 D C -0.574 175.969 176.300 0.405 0.000 1.064 227 D CA -0.174 53.981 54.000 0.259 0.000 0.845 227 D CB 1.745 42.716 40.800 0.285 0.000 1.148 227 D HN 0.367 nan 8.370 nan 0.000 0.464 228 T N 3.248 117.950 114.554 0.247 0.000 2.824 228 T HA 0.477 4.821 4.350 -0.009 0.000 0.282 228 T C -2.520 172.055 174.700 -0.209 0.000 0.993 228 T CA -1.450 60.698 62.100 0.080 0.000 0.967 228 T CB 2.101 71.000 68.868 0.052 0.000 0.960 228 T HN 0.188 nan 8.240 nan 0.000 0.441 229 P HA 0.349 nan 4.420 nan 0.000 0.279 229 P C -1.075 175.906 177.300 -0.532 0.000 1.239 229 P CA -0.426 62.020 63.100 -1.090 0.000 0.789 229 P CB 0.954 31.723 31.700 -1.551 0.000 0.933 230 V N 4.949 124.609 119.914 -0.422 0.000 2.340 230 V HA 0.260 4.374 4.120 -0.009 0.000 0.277 230 V C -2.054 173.914 176.094 -0.211 0.000 1.017 230 V CA -1.892 60.254 62.300 -0.256 0.000 0.820 230 V CB 1.382 33.100 31.823 -0.174 0.000 1.028 230 V HN 0.555 nan 8.190 nan 0.000 0.436 231 P HA 0.267 nan 4.420 nan 0.000 0.280 231 P C 0.360 177.614 177.300 -0.076 0.000 1.244 231 P CA 0.324 63.342 63.100 -0.137 0.000 0.784 231 P CB 1.779 33.395 31.700 -0.140 0.000 0.913 232 G N 2.361 111.134 108.800 -0.045 0.000 2.599 232 G HA2 0.134 4.089 3.960 -0.009 0.000 0.264 232 G HA3 0.134 4.089 3.960 -0.009 0.000 0.264 232 G C -1.170 173.748 174.900 0.029 0.000 1.200 232 G CA -0.627 44.475 45.100 0.004 0.000 0.896 232 G HN 0.532 nan 8.290 nan 0.000 0.536 233 Y N 0.945 121.209 120.300 -0.059 0.000 2.584 233 Y HA 0.233 4.777 4.550 -0.009 0.000 0.351 233 Y C 1.380 177.244 175.900 -0.059 0.000 1.030 233 Y CA -0.241 57.819 58.100 -0.066 0.000 1.332 233 Y CB -0.024 38.395 38.460 -0.069 0.000 1.148 233 Y HN 0.708 nan 8.280 nan 0.000 0.528 234 R N 3.276 123.467 120.500 -0.517 0.000 3.484 234 R HA -0.328 4.007 4.340 -0.009 0.000 0.260 234 R C -0.006 176.150 176.300 -0.241 0.000 1.053 234 R CA 1.347 57.172 56.100 -0.457 0.000 0.703 234 R CB -2.105 27.753 30.300 -0.736 0.000 1.089 234 R HN 0.945 nan 8.270 nan 0.000 0.459 235 N N -0.727 117.888 118.700 -0.141 0.000 2.170 235 N HA 0.045 4.780 4.740 -0.009 0.000 0.222 235 N C -0.124 175.342 175.510 -0.073 0.000 1.218 235 N CA -0.561 52.440 53.050 -0.082 0.000 0.889 235 N CB 0.495 38.961 38.487 -0.035 0.000 1.083 235 N HN 0.086 nan 8.380 nan 0.000 0.520 236 N N -0.110 118.542 118.700 -0.081 0.000 2.753 236 N HA -0.135 4.599 4.740 -0.009 0.000 0.251 236 N C -0.941 174.534 175.510 -0.058 0.000 1.097 236 N CA 0.586 53.597 53.050 -0.065 0.000 0.786 236 N CB -1.223 37.225 38.487 -0.064 0.000 1.137 236 N HN 0.195 nan 8.380 nan 0.000 0.566 237 V N 1.177 121.061 119.914 -0.050 0.000 2.439 237 V HA 0.446 4.561 4.120 -0.009 0.000 0.282 237 V C 0.539 176.611 176.094 -0.036 0.000 1.039 237 V CA -0.479 61.800 62.300 -0.035 0.000 0.913 237 V CB 2.165 33.993 31.823 0.008 0.000 0.983 237 V HN -0.042 nan 8.190 nan 0.000 0.460 238 V N 5.515 125.413 119.914 -0.027 0.000 2.419 238 V HA 0.434 4.549 4.120 -0.009 0.000 0.287 238 V C -0.089 176.004 176.094 -0.002 0.000 1.017 238 V CA -0.863 61.394 62.300 -0.072 0.000 0.844 238 V CB 1.447 33.206 31.823 -0.107 0.000 1.011 238 V HN 0.840 nan 8.190 nan 0.000 0.429 239 N N 1.969 120.643 118.700 -0.044 0.000 2.418 239 N HA 0.565 5.299 4.740 -0.009 0.000 0.283 239 N C -0.032 175.479 175.510 0.002 0.000 1.267 239 N CA -0.285 52.763 53.050 -0.004 0.000 0.975 239 N CB 1.138 39.576 38.487 -0.080 0.000 1.167 239 N HN 0.577 nan 8.380 nan 0.000 0.581 240 T N 0.700 115.261 114.554 0.010 0.000 2.841 240 T HA 0.428 4.772 4.350 -0.009 0.000 0.283 240 T C -0.321 174.358 174.700 -0.036 0.000 1.000 240 T CA -0.521 61.654 62.100 0.125 0.000 0.977 240 T CB 1.242 70.308 68.868 0.330 0.000 0.979 240 T HN 0.319 nan 8.240 nan 0.000 0.446 241 M N 3.622 123.170 119.600 -0.087 0.000 2.072 241 M HA 0.510 4.984 4.480 -0.009 0.000 0.331 241 M C -0.579 175.582 176.300 -0.231 0.000 1.004 241 M CA -0.738 54.414 55.300 -0.247 0.000 0.952 241 M CB 0.766 33.169 32.600 -0.329 0.000 1.511 241 M HN 0.481 nan 8.290 nan 0.000 0.422 242 R N 4.668 124.922 120.500 -0.410 0.000 2.255 242 R HA 0.564 4.899 4.340 -0.009 0.000 0.326 242 R C -1.958 174.088 176.300 -0.424 0.000 0.986 242 R CA -0.581 55.242 56.100 -0.462 0.000 0.847 242 R CB 0.917 30.767 30.300 -0.750 0.000 1.111 242 R HN 0.647 nan 8.270 nan 0.000 0.452 243 L N 5.637 126.709 121.223 -0.252 0.000 2.313 243 L HA 0.457 4.792 4.340 -0.009 0.000 0.283 243 L C -1.044 175.805 176.870 -0.035 0.000 1.013 243 L CA -0.502 54.287 54.840 -0.085 0.000 0.816 243 L CB 1.146 43.234 42.059 0.049 0.000 1.236 243 L HN 0.621 nan 8.230 nan 0.000 0.419 244 W N 2.270 123.697 121.300 0.211 0.000 2.316 244 W HA 0.584 5.239 4.660 -0.009 0.000 0.321 244 W C 0.605 177.354 176.519 0.383 0.000 1.203 244 W CA -0.238 57.251 57.345 0.239 0.000 1.214 244 W CB 1.307 30.748 29.460 -0.030 0.000 1.169 244 W HN 0.442 nan 8.180 nan 0.000 0.561 245 S N 1.767 117.889 115.700 0.704 0.000 2.482 245 S HA 0.755 5.220 4.470 -0.009 0.000 0.303 245 S C -0.461 174.490 174.600 0.585 0.000 1.091 245 S CA -0.744 57.775 58.200 0.531 0.000 1.057 245 S CB 0.598 64.059 63.200 0.436 0.000 1.031 245 S HN 0.543 nan 8.310 nan 0.000 0.485 246 A N 4.926 127.935 122.820 0.315 0.000 2.366 246 A HA 0.636 4.950 4.320 -0.009 0.000 0.272 246 A C -0.069 177.603 177.584 0.146 0.000 1.135 246 A CA -0.186 51.923 52.037 0.120 0.000 0.804 246 A CB 0.304 19.115 19.000 -0.314 0.000 1.064 246 A HN 0.657 nan 8.150 nan 0.000 0.499 247 K N 1.014 121.517 120.400 0.171 0.000 2.468 247 K HA 0.613 4.928 4.320 -0.009 0.000 0.252 247 K C -0.585 176.073 176.600 0.096 0.000 0.932 247 K CA -0.412 55.952 56.287 0.129 0.000 0.794 247 K CB 2.282 34.873 32.500 0.153 0.000 1.241 247 K HN 0.833 nan 8.250 nan 0.000 0.428 248 A N 4.093 126.952 122.820 0.064 0.000 2.354 248 A HA 0.515 4.830 4.320 -0.009 0.000 0.269 248 A C -2.105 175.508 177.584 0.047 0.000 1.109 248 A CA -1.128 50.938 52.037 0.048 0.000 0.800 248 A CB -0.180 18.838 19.000 0.029 0.000 1.045 248 A HN 0.379 nan 8.150 nan 0.000 0.489 249 P HA 0.095 nan 4.420 nan 0.000 0.272 249 P C -0.050 177.269 177.300 0.032 0.000 1.230 249 P CA -0.408 62.713 63.100 0.036 0.000 0.788 249 P CB 0.622 32.338 31.700 0.028 0.000 0.949 250 N N 0.321 119.040 118.700 0.032 0.000 2.512 250 N HA -0.064 4.670 4.740 -0.009 0.000 0.183 250 N C 0.689 176.220 175.510 0.034 0.000 1.073 250 N CA 0.906 53.975 53.050 0.032 0.000 0.911 250 N CB -0.218 38.289 38.487 0.034 0.000 0.964 250 N HN 0.626 nan 8.380 nan 0.000 0.447 262 Y N 1.740 122.042 120.300 0.003 0.000 2.081 262 Y HA -0.105 4.439 4.550 -0.009 0.000 0.280 262 Y C 2.776 178.678 175.900 0.004 0.000 1.163 262 Y CA 2.435 60.537 58.100 0.004 0.000 1.135 262 Y CB -0.183 38.279 38.460 0.003 0.000 0.970 262 Y HN 0.204 nan 8.280 nan 0.000 0.498 263 I N 0.467 120.974 120.570 -0.105 0.000 2.163 263 I HA -0.329 3.835 4.170 -0.009 0.000 0.243 263 I C 2.419 178.424 176.117 -0.185 0.000 1.085 263 I CA 1.600 62.783 61.300 -0.196 0.000 1.347 263 I CB -1.432 36.559 38.000 -0.014 0.000 1.044 263 I HN 0.394 nan 8.210 nan 0.000 0.408 264 Q N 0.471 120.213 119.800 -0.097 0.000 2.124 264 Q HA -0.123 4.211 4.340 -0.009 0.000 0.202 264 Q C 2.373 178.316 176.000 -0.095 0.000 0.977 264 Q CA 1.882 57.641 55.803 -0.074 0.000 0.850 264 Q CB -0.319 28.398 28.738 -0.035 0.000 0.901 264 Q HN 0.556 nan 8.270 nan 0.000 0.429 265 A N -0.119 122.631 122.820 -0.116 0.000 1.933 265 A HA -0.130 4.184 4.320 -0.009 0.000 0.218 265 A C 2.391 179.890 177.584 -0.141 0.000 1.175 265 A CA 1.588 53.563 52.037 -0.104 0.000 0.628 265 A CB -0.591 18.361 19.000 -0.081 0.000 0.814 265 A HN 0.227 nan 8.150 nan 0.000 0.444 266 V N 0.187 119.951 119.914 -0.250 0.000 2.358 266 V HA -0.224 3.891 4.120 -0.009 0.000 0.246 266 V C 2.511 178.528 176.094 -0.127 0.000 1.047 266 V CA 1.817 63.982 62.300 -0.225 0.000 1.035 266 V CB -0.734 30.873 31.823 -0.360 0.000 0.658 266 V HN 0.572 nan 8.190 nan 0.000 0.452 267 L N -0.196 120.957 121.223 -0.116 0.000 2.141 267 L HA -0.141 4.193 4.340 -0.009 0.000 0.209 267 L C 1.960 178.802 176.870 -0.046 0.000 1.094 267 L CA 1.202 56.002 54.840 -0.067 0.000 0.763 267 L CB -0.690 41.335 42.059 -0.056 0.000 0.908 267 L HN 0.339 nan 8.230 nan 0.000 0.437 268 D N 0.044 120.414 120.400 -0.050 0.000 2.378 268 D HA -0.067 4.568 4.640 -0.009 0.000 0.227 268 D C 2.106 178.391 176.300 -0.025 0.000 1.012 268 D CA 0.415 54.396 54.000 -0.033 0.000 0.905 268 D CB 0.013 40.794 40.800 -0.032 0.000 0.895 268 D HN 0.258 nan 8.370 nan 0.000 0.532 269 R N 0.488 120.971 120.500 -0.027 0.000 2.120 269 R HA -0.038 4.296 4.340 -0.009 0.000 0.234 269 R C 1.615 177.912 176.300 -0.004 0.000 1.123 269 R CA 0.618 56.710 56.100 -0.013 0.000 0.975 269 R CB -0.067 30.225 30.300 -0.013 0.000 0.866 269 R HN 0.150 nan 8.270 nan 0.000 0.446 270 N N 0.626 119.323 118.700 -0.004 0.000 2.364 270 N HA -0.140 4.595 4.740 -0.009 0.000 0.183 270 N C 1.456 176.966 175.510 0.000 0.000 1.022 270 N CA 0.915 53.968 53.050 0.005 0.000 0.883 270 N CB -0.013 38.480 38.487 0.009 0.000 0.965 270 N HN 0.101 nan 8.380 nan 0.000 0.438 271 L N 1.089 122.308 121.223 -0.007 0.000 2.017 271 L HA -0.080 4.254 4.340 -0.009 0.000 0.208 271 L C 2.412 179.265 176.870 -0.028 0.000 1.073 271 L CA 1.341 56.174 54.840 -0.013 0.000 0.745 271 L CB -1.056 40.995 42.059 -0.013 0.000 0.894 271 L HN 0.092 nan 8.230 nan 0.000 0.432 272 A N -0.849 121.956 122.820 -0.026 0.000 1.929 272 A HA -0.149 4.166 4.320 -0.009 0.000 0.216 272 A C 2.103 179.647 177.584 -0.067 0.000 1.176 272 A CA 1.234 53.243 52.037 -0.046 0.000 0.628 272 A CB -0.425 18.570 19.000 -0.008 0.000 0.816 272 A HN 0.526 nan 8.150 nan 0.000 0.444 273 E N 0.207 120.390 120.200 -0.028 0.000 2.418 273 E HA -0.089 4.255 4.350 -0.009 0.000 0.197 273 E C 0.931 177.524 176.600 -0.013 0.000 1.026 273 E CA 0.295 56.685 56.400 -0.017 0.000 0.862 273 E CB -0.199 29.515 29.700 0.023 0.000 0.799 273 E HN 0.458 nan 8.360 nan 0.000 0.518 274 N N 1.156 119.849 118.700 -0.012 0.000 2.443 274 N HA -0.084 4.651 4.740 -0.009 0.000 0.184 274 N C 1.662 177.180 175.510 0.013 0.000 1.037 274 N CA 0.591 53.653 53.050 0.020 0.000 0.896 274 N CB -0.050 38.446 38.487 0.016 0.000 0.959 274 N HN 0.279 nan 8.380 nan 0.000 0.442 275 I N 0.403 120.923 120.570 -0.083 0.000 2.208 275 I HA -0.245 3.920 4.170 -0.009 0.000 0.245 275 I C 1.384 177.480 176.117 -0.035 0.000 1.097 275 I CA 1.248 62.467 61.300 -0.136 0.000 1.363 275 I CB -0.194 37.551 38.000 -0.425 0.000 1.051 275 I HN 0.124 nan 8.210 nan 0.000 0.413 276 S N -0.533 115.149 115.700 -0.030 0.000 2.574 276 S HA 0.206 4.670 4.470 -0.009 0.000 0.242 276 S C 1.411 176.158 174.600 0.244 0.000 0.982 276 S CA -0.577 57.694 58.200 0.119 0.000 0.977 276 S CB 0.302 63.561 63.200 0.098 0.000 0.814 276 S HN 0.203 nan 8.310 nan 0.000 0.464 277 R N 1.246 121.889 120.500 0.240 0.000 2.062 277 R HA 0.288 4.622 4.340 -0.009 0.000 0.229 277 R C 0.442 177.001 176.300 0.432 0.000 1.128 277 R CA 1.136 57.418 56.100 0.303 0.000 0.960 277 R CB -0.216 30.227 30.300 0.238 0.000 0.855 277 R HN 0.406 nan 8.270 nan 0.000 0.432 278 V N 0.284 120.407 119.914 0.348 0.000 2.971 278 V HA 0.390 4.505 4.120 -0.009 0.000 0.309 278 V C -1.624 174.440 176.094 -0.051 0.000 1.130 278 V CA -1.392 61.038 62.300 0.217 0.000 0.964 278 V CB 1.815 33.687 31.823 0.081 0.000 1.029 278 V HN 0.152 nan 8.190 nan 0.000 0.427 279 L N 6.403 127.376 121.223 -0.416 0.000 2.331 279 L HA 0.502 4.837 4.340 -0.009 0.000 0.278 279 L C -0.885 175.818 176.870 -0.278 0.000 1.106 279 L CA 0.363 54.725 54.840 -0.797 0.000 0.824 279 L CB 0.590 42.106 42.059 -0.906 0.000 1.142 279 L HN 0.686 nan 8.230 nan 0.000 0.443 280 Y N 6.910 127.114 120.300 -0.159 0.000 2.569 280 Y HA 0.192 4.736 4.550 -0.009 0.000 0.332 280 Y C -1.343 174.548 175.900 -0.016 0.000 1.120 280 Y CA -1.205 56.881 58.100 -0.024 0.000 1.416 280 Y CB 0.396 38.871 38.460 0.024 0.000 1.210 280 Y HN 0.575 nan 8.280 nan 0.000 0.528 281 P HA -0.017 nan 4.420 nan 0.000 0.259 281 P C -0.841 176.587 177.300 0.212 0.000 1.480 281 P CA 0.277 63.478 63.100 0.168 0.000 0.842 281 P CB 0.129 32.017 31.700 0.313 0.000 1.513 282 N N 1.231 120.067 118.700 0.227 0.000 2.456 282 N HA 0.226 4.961 4.740 -0.009 0.000 0.288 282 N C -0.788 174.862 175.510 0.232 0.000 1.059 282 N CA 0.038 53.242 53.050 0.257 0.000 0.946 282 N CB 1.292 39.978 38.487 0.332 0.000 1.150 282 N HN 0.022 nan 8.380 nan 0.000 0.479 283 D N 0.592 121.150 120.400 0.262 0.000 2.492 283 D HA 0.266 4.900 4.640 -0.009 0.000 0.248 283 D C -0.330 176.168 176.300 0.330 0.000 1.101 283 D CA -0.300 53.850 54.000 0.251 0.000 0.840 283 D CB 0.332 41.266 40.800 0.222 0.000 1.209 283 D HN 0.347 nan 8.370 nan 0.000 0.524 284 N N 2.659 121.539 118.700 0.298 0.000 2.776 284 N HA -0.228 4.507 4.740 -0.009 0.000 0.249 284 N C -1.364 174.393 175.510 0.412 0.000 1.111 284 N CA 0.632 53.868 53.050 0.310 0.000 0.711 284 N CB -0.982 37.705 38.487 0.332 0.000 1.065 284 N HN 0.410 nan 8.380 nan 0.000 0.556 285 F N 0.599 120.658 119.950 0.182 0.000 2.604 285 F HA 0.457 4.978 4.527 -0.009 0.000 0.316 285 F C -1.207 174.681 175.800 0.145 0.000 1.136 285 F CA -1.073 57.008 58.000 0.135 0.000 0.989 285 F CB 0.941 39.976 39.000 0.057 0.000 1.258 285 F HN -0.032 nan 8.300 nan 0.000 0.451 286 F N 5.703 125.223 119.950 -0.717 0.000 2.408 286 F HA 0.485 5.007 4.527 -0.009 0.000 0.344 286 F C -0.505 174.862 175.800 -0.723 0.000 1.112 286 F CA -0.190 57.458 58.000 -0.586 0.000 1.096 286 F CB 0.800 39.495 39.000 -0.510 0.000 1.129 286 F HN 0.593 nan 8.300 nan 0.000 0.486 287 E N 4.276 123.861 120.200 -1.025 0.000 2.235 287 E HA 0.289 4.633 4.350 -0.009 0.000 0.252 287 E C -0.213 175.670 176.600 -1.195 0.000 0.886 287 E CA -0.740 55.161 56.400 -0.832 0.000 0.767 287 E CB 1.304 30.884 29.700 -0.200 0.000 1.205 287 E HN 0.913 nan 8.360 nan 0.000 0.421 288 G N 5.274 113.251 108.800 -1.372 0.000 3.197 288 G HA2 0.010 3.965 3.960 -0.009 0.000 0.257 288 G HA3 0.010 3.965 3.960 -0.009 0.000 0.257 288 G C -0.023 174.808 174.900 -0.115 0.000 0.835 288 G CA -0.124 44.394 45.100 -0.971 0.000 2.001 288 G HN 0.195 nan 8.290 nan 0.000 0.625 289 K N 0.493 120.895 120.400 0.003 0.000 2.130 289 K HA 0.183 4.497 4.320 -0.009 0.000 0.268 289 K C 0.970 177.721 176.600 0.250 0.000 0.983 289 K CA -0.649 55.726 56.287 0.146 0.000 0.893 289 K CB 2.214 34.795 32.500 0.135 0.000 1.066 289 K HN 0.435 nan 8.250 nan 0.000 0.450 290 E N 1.754 122.064 120.200 0.183 0.000 2.085 290 E HA -0.222 4.122 4.350 -0.009 0.000 0.194 290 E C 1.546 178.179 176.600 0.055 0.000 0.994 290 E CA 1.112 57.568 56.400 0.093 0.000 0.801 290 E CB 0.153 29.910 29.700 0.095 0.000 0.743 290 E HN 0.407 nan 8.360 nan 0.000 0.453 291 L N 1.399 122.698 121.223 0.127 0.000 2.079 291 L HA -0.192 4.143 4.340 -0.009 0.000 0.210 291 L C 2.464 179.436 176.870 0.171 0.000 1.081 291 L CA 1.900 56.833 54.840 0.155 0.000 0.752 291 L CB -0.560 41.659 42.059 0.268 0.000 0.896 291 L HN 0.021 nan 8.230 nan 0.000 0.433 292 R N -0.655 119.899 120.500 0.091 0.000 2.096 292 R HA -0.156 4.178 4.340 -0.009 0.000 0.235 292 R C 2.099 178.444 176.300 0.075 0.000 1.127 292 R CA 1.835 57.909 56.100 -0.044 0.000 0.968 292 R CB -0.967 29.110 30.300 -0.373 0.000 0.861 292 R HN 0.423 nan 8.270 nan 0.000 0.440 293 L N 0.807 121.982 121.223 -0.080 0.000 2.093 293 L HA -0.041 4.293 4.340 -0.009 0.000 0.208 293 L C 1.670 178.491 176.870 -0.083 0.000 1.085 293 L CA 1.874 56.466 54.840 -0.414 0.000 0.755 293 L CB -0.386 41.124 42.059 -0.915 0.000 0.904 293 L HN 0.144 nan 8.230 nan 0.000 0.435 294 K N -0.962 119.441 120.400 0.006 0.000 2.097 294 K HA -0.189 4.126 4.320 -0.009 0.000 0.206 294 K C 2.071 178.844 176.600 0.289 0.000 1.049 294 K CA 1.724 58.099 56.287 0.147 0.000 0.933 294 K CB -0.171 32.235 32.500 -0.156 0.000 0.717 294 K HN 0.514 nan 8.250 nan 0.000 0.442 295 Q N 0.654 120.587 119.800 0.223 0.000 2.084 295 Q HA -0.183 4.152 4.340 -0.009 0.000 0.202 295 Q C 1.933 178.138 176.000 0.341 0.000 0.978 295 Q CA 1.397 57.388 55.803 0.313 0.000 0.844 295 Q CB -0.028 28.916 28.738 0.344 0.000 0.898 295 Q HN 0.388 nan 8.270 nan 0.000 0.426 296 E N -0.142 120.210 120.200 0.253 0.000 2.077 296 E HA -0.210 4.134 4.350 -0.009 0.000 0.193 296 E C 1.707 178.421 176.600 0.190 0.000 0.989 296 E CA 1.029 57.560 56.400 0.218 0.000 0.800 296 E CB -0.115 29.694 29.700 0.180 0.000 0.746 296 E HN 0.324 nan 8.360 nan 0.000 0.452 297 Y N 0.240 120.585 120.300 0.075 0.000 2.263 297 Y HA -0.169 4.375 4.550 -0.009 0.000 0.292 297 Y C 1.912 177.834 175.900 0.037 0.000 1.130 297 Y CA 0.809 58.897 58.100 -0.020 0.000 1.179 297 Y CB -0.304 38.090 38.460 -0.110 0.000 0.998 297 Y HN 0.008 nan 8.280 nan 0.000 0.532 298 F N -0.280 119.642 119.950 -0.046 0.000 2.095 298 F HA -0.232 4.290 4.527 -0.009 0.000 0.298 298 F C 2.464 178.116 175.800 -0.247 0.000 1.104 298 F CA 1.978 59.912 58.000 -0.110 0.000 1.232 298 F CB -1.060 38.032 39.000 0.154 0.000 0.987 298 F HN -0.062 nan 8.300 nan 0.000 0.475 299 V N -0.504 119.359 119.914 -0.085 0.000 2.427 299 V HA -0.192 3.922 4.120 -0.009 0.000 0.248 299 V C 2.194 178.141 176.094 -0.244 0.000 1.051 299 V CA 1.907 64.130 62.300 -0.128 0.000 1.048 299 V CB -0.379 31.562 31.823 0.196 0.000 0.666 299 V HN 0.252 nan 8.190 nan 0.000 0.456 300 V N 0.440 120.215 119.914 -0.232 0.000 2.307 300 V HA -0.175 3.939 4.120 -0.009 0.000 0.245 300 V C 2.811 178.649 176.094 -0.426 0.000 1.045 300 V CA 2.139 64.288 62.300 -0.252 0.000 1.024 300 V CB -1.075 30.661 31.823 -0.145 0.000 0.651 300 V HN 0.646 nan 8.190 nan 0.000 0.449 301 A N -0.115 122.277 122.820 -0.714 0.000 1.877 301 A HA -0.121 4.194 4.320 -0.009 0.000 0.216 301 A C 2.414 179.625 177.584 -0.621 0.000 1.186 301 A CA 2.190 53.798 52.037 -0.714 0.000 0.620 301 A CB -0.890 17.462 19.000 -1.078 0.000 0.822 301 A HN 0.566 nan 8.150 nan 0.000 0.443 302 A N -1.072 121.215 122.820 -0.889 0.000 1.877 302 A HA -0.078 4.237 4.320 -0.009 0.000 0.216 302 A C 2.322 179.420 177.584 -0.809 0.000 1.186 302 A CA 2.337 53.661 52.037 -1.189 0.000 0.620 302 A CB -1.346 16.241 19.000 -2.355 0.000 0.822 302 A HN 0.436 nan 8.150 nan 0.000 0.443 303 T N 0.562 114.775 114.554 -0.567 0.000 2.684 303 T HA -0.120 4.224 4.350 -0.009 0.000 0.267 303 T C 1.833 176.271 174.700 -0.437 0.000 1.036 303 T CA 1.532 63.410 62.100 -0.369 0.000 1.148 303 T CB -0.425 68.225 68.868 -0.362 0.000 0.863 303 T HN 0.348 nan 8.240 nan 0.000 0.436 304 L N 0.690 121.701 121.223 -0.354 0.000 2.083 304 L HA -0.173 4.161 4.340 -0.009 0.000 0.209 304 L C 2.937 179.689 176.870 -0.196 0.000 1.083 304 L CA 1.432 56.114 54.840 -0.264 0.000 0.752 304 L CB -0.557 41.387 42.059 -0.191 0.000 0.899 304 L HN 0.363 nan 8.230 nan 0.000 0.433 305 Q N -0.560 119.123 119.800 -0.194 0.000 2.084 305 Q HA -0.250 4.084 4.340 -0.009 0.000 0.202 305 Q C 1.802 177.763 176.000 -0.065 0.000 0.978 305 Q CA 1.726 57.463 55.803 -0.111 0.000 0.844 305 Q CB -0.118 28.541 28.738 -0.131 0.000 0.898 305 Q HN 0.397 nan 8.270 nan 0.000 0.426 306 D N 0.522 120.875 120.400 -0.079 0.000 2.117 306 D HA -0.101 4.534 4.640 -0.009 0.000 0.197 306 D C 1.672 177.913 176.300 -0.099 0.000 0.987 306 D CA 0.861 54.860 54.000 -0.001 0.000 0.829 306 D CB -0.024 40.883 40.800 0.177 0.000 0.961 306 D HN 0.165 nan 8.370 nan 0.000 0.460 307 I N 0.180 120.588 120.570 -0.271 0.000 2.179 307 I HA -0.238 3.926 4.170 -0.009 0.000 0.242 307 I C 2.329 178.448 176.117 0.002 0.000 1.088 307 I CA 0.761 61.842 61.300 -0.364 0.000 1.357 307 I CB -0.145 37.482 38.000 -0.622 0.000 1.051 307 I HN 0.048 nan 8.210 nan 0.000 0.409 308 I N 0.296 120.924 120.570 0.097 0.000 2.315 308 I HA -0.289 3.876 4.170 -0.009 0.000 0.248 308 I C 2.772 179.048 176.117 0.266 0.000 1.117 308 I CA 1.129 62.608 61.300 0.299 0.000 1.404 308 I CB -0.421 37.706 38.000 0.211 0.000 1.071 308 I HN 0.216 nan 8.210 nan 0.000 0.419 309 R N 1.365 121.943 120.500 0.130 0.000 2.083 309 R HA -0.228 4.107 4.340 -0.009 0.000 0.237 309 R C 2.504 178.859 176.300 0.092 0.000 1.137 309 R CA 1.794 57.950 56.100 0.093 0.000 0.951 309 R CB -0.289 30.038 30.300 0.044 0.000 0.851 309 R HN 0.177 nan 8.270 nan 0.000 0.434 310 R N -0.654 119.896 120.500 0.083 0.000 2.120 310 R HA -0.168 4.167 4.340 -0.009 0.000 0.234 310 R C 2.103 178.492 176.300 0.147 0.000 1.123 310 R CA 1.664 57.818 56.100 0.088 0.000 0.975 310 R CB -0.359 29.982 30.300 0.069 0.000 0.866 310 R HN 0.323 nan 8.270 nan 0.000 0.446 311 F N 1.387 121.371 119.950 0.057 0.000 2.113 311 F HA -0.065 4.457 4.527 -0.009 0.000 0.297 311 F C 1.613 177.428 175.800 0.025 0.000 1.103 311 F CA 1.477 59.510 58.000 0.055 0.000 1.248 311 F CB -0.020 39.067 39.000 0.144 0.000 0.999 311 F HN -0.148 nan 8.300 nan 0.000 0.475 312 K N -0.308 120.059 120.400 -0.056 0.000 2.360 312 K HA -0.046 4.269 4.320 -0.009 0.000 0.201 312 K C 1.558 178.058 176.600 -0.167 0.000 1.046 312 K CA 1.154 57.322 56.287 -0.198 0.000 0.945 312 K CB -0.215 32.285 32.500 -0.001 0.000 0.750 312 K HN 0.160 nan 8.250 nan 0.000 0.464 313 S N 0.564 116.218 115.700 -0.077 0.000 2.597 313 S HA 0.109 4.574 4.470 -0.009 0.000 0.224 313 S C 0.312 174.912 174.600 0.000 0.000 0.955 313 S CA -0.305 57.891 58.200 -0.007 0.000 0.933 313 S CB 0.385 63.620 63.200 0.059 0.000 0.788 313 S HN 0.126 nan 8.310 nan 0.000 0.488 325 N N 1.341 120.019 118.700 -0.037 0.000 2.420 325 N HA 0.359 5.094 4.740 -0.009 0.000 0.249 325 N C 0.401 175.969 175.510 0.096 0.000 1.033 325 N CA -0.525 52.564 53.050 0.065 0.000 0.944 325 N CB 0.442 38.972 38.487 0.072 0.000 1.113 325 N HN 0.343 nan 8.380 nan 0.000 0.502 326 F N 1.122 121.164 119.950 0.155 0.000 2.773 326 F HA -0.053 4.468 4.527 -0.009 0.000 0.299 326 F C 1.624 177.493 175.800 0.114 0.000 1.204 326 F CA 0.290 58.371 58.000 0.136 0.000 1.454 326 F CB 0.102 39.059 39.000 -0.072 0.000 1.117 326 F HN 0.559 nan 8.300 nan 0.000 0.590 327 D N 0.241 120.778 120.400 0.229 0.000 2.178 327 D HA -0.139 4.496 4.640 -0.009 0.000 0.201 327 D C 2.206 178.600 176.300 0.156 0.000 0.980 327 D CA 1.253 55.348 54.000 0.158 0.000 0.842 327 D CB -0.036 40.831 40.800 0.111 0.000 0.948 327 D HN 0.339 nan 8.370 nan 0.000 0.472 328 A N -0.136 122.803 122.820 0.199 0.000 2.251 328 A HA 0.051 4.366 4.320 -0.009 0.000 0.209 328 A C 1.702 179.409 177.584 0.204 0.000 1.187 328 A CA -0.289 51.863 52.037 0.193 0.000 0.823 328 A CB -0.650 18.472 19.000 0.203 0.000 0.846 328 A HN 0.125 nan 8.150 nan 0.000 0.486 329 F N 1.891 121.816 119.950 -0.043 0.000 2.063 329 F HA -0.158 4.364 4.527 -0.009 0.000 0.298 329 F C -0.809 174.882 175.800 -0.183 0.000 1.109 329 F CA 2.566 60.323 58.000 -0.405 0.000 1.212 329 F CB -0.616 38.170 39.000 -0.356 0.000 0.973 329 F HN 0.198 nan 8.300 nan 0.000 0.480 330 P HA -0.099 nan 4.420 nan 0.000 0.225 330 P C 0.619 177.878 177.300 -0.068 0.000 1.148 330 P CA 1.466 64.539 63.100 -0.046 0.000 0.779 330 P CB -0.057 31.646 31.700 0.006 0.000 0.780 331 D N -1.070 119.311 120.400 -0.032 0.000 2.333 331 D HA 0.001 4.635 4.640 -0.009 0.000 0.208 331 D C 1.471 177.761 176.300 -0.018 0.000 0.984 331 D CA 0.791 54.786 54.000 -0.008 0.000 0.873 331 D CB 0.207 41.024 40.800 0.028 0.000 0.935 331 D HN 0.141 nan 8.370 nan 0.000 0.521 332 K N 0.097 120.464 120.400 -0.056 0.000 2.412 332 K HA 0.213 4.527 4.320 -0.009 0.000 0.202 332 K C 0.032 176.547 176.600 -0.141 0.000 1.102 332 K CA 0.083 56.350 56.287 -0.034 0.000 1.027 332 K CB 2.318 34.910 32.500 0.154 0.000 0.931 332 K HN -0.065 nan 8.250 nan 0.000 0.557 333 V N 0.924 120.655 119.914 -0.304 0.000 2.709 333 V HA 0.659 4.774 4.120 -0.009 0.000 0.308 333 V C -1.128 174.871 176.094 -0.159 0.000 1.062 333 V CA -1.277 60.843 62.300 -0.300 0.000 0.901 333 V CB 1.885 33.231 31.823 -0.795 0.000 1.003 333 V HN 0.109 nan 8.190 nan 0.000 0.425 334 A N 5.551 128.336 122.820 -0.057 0.000 2.359 334 A HA 0.910 5.225 4.320 -0.009 0.000 0.303 334 A C -1.038 176.568 177.584 0.037 0.000 1.066 334 A CA -0.427 51.606 52.037 -0.007 0.000 0.730 334 A CB 0.996 19.936 19.000 -0.100 0.000 1.211 334 A HN 0.759 nan 8.150 nan 0.000 0.439 335 I N 1.942 122.581 120.570 0.115 0.000 2.382 335 I HA 0.313 4.477 4.170 -0.009 0.000 0.286 335 I C -0.322 175.889 176.117 0.157 0.000 1.002 335 I CA -0.591 60.791 61.300 0.136 0.000 1.135 335 I CB 1.955 40.017 38.000 0.104 0.000 1.288 335 I HN 0.698 nan 8.210 nan 0.000 0.448 336 Q N 6.032 125.924 119.800 0.154 0.000 2.314 336 Q HA 0.457 4.791 4.340 -0.009 0.000 0.259 336 Q C -1.440 174.572 176.000 0.021 0.000 0.951 336 Q CA -0.496 55.431 55.803 0.207 0.000 0.909 336 Q CB 1.305 30.284 28.738 0.401 0.000 1.236 336 Q HN 0.439 nan 8.270 nan 0.000 0.444 337 L N 4.248 125.519 121.223 0.080 0.000 2.261 337 L HA 0.335 4.670 4.340 -0.009 0.000 0.289 337 L C -0.252 176.650 176.870 0.053 0.000 1.059 337 L CA -0.189 54.687 54.840 0.060 0.000 0.816 337 L CB 0.614 42.761 42.059 0.147 0.000 1.191 337 L HN 0.589 nan 8.230 nan 0.000 0.431 338 N N 4.134 122.778 118.700 -0.094 0.000 2.448 338 N HA 0.134 4.869 4.740 -0.009 0.000 0.250 338 N C -0.087 175.437 175.510 0.023 0.000 1.136 338 N CA 0.480 53.522 53.050 -0.013 0.000 0.953 338 N CB -0.118 38.260 38.487 -0.182 0.000 1.251 338 N HN 0.577 nan 8.380 nan 0.000 0.502 339 D N -0.026 120.493 120.400 0.199 0.000 4.199 339 D HA -0.224 4.410 4.640 -0.009 0.000 0.291 339 D C 0.356 176.770 176.300 0.191 0.000 2.213 339 D CA 1.547 55.658 54.000 0.184 0.000 1.174 339 D CB -0.606 40.041 40.800 -0.256 0.000 1.012 339 D HN 0.490 nan 8.370 nan 0.000 1.213 340 T N -2.464 112.150 114.554 0.100 0.000 3.129 340 T HA 0.099 4.444 4.350 -0.009 0.000 0.251 340 T C 1.678 176.472 174.700 0.156 0.000 1.117 340 T CA 1.517 63.653 62.100 0.060 0.000 1.034 340 T CB -0.533 68.332 68.868 -0.005 0.000 0.968 340 T HN 0.515 nan 8.240 nan 0.000 0.526 341 H N 2.627 121.782 119.070 0.142 0.000 2.390 341 H HA -0.024 4.526 4.556 -0.009 0.000 0.298 341 H C -0.770 174.646 175.328 0.147 0.000 1.106 341 H CA 1.144 57.292 56.048 0.166 0.000 1.297 341 H CB -0.751 29.108 29.762 0.162 0.000 1.375 341 H HN 0.452 nan 8.280 nan 0.000 0.509 342 P HA 0.089 nan 4.420 nan 0.000 0.266 342 P C 0.752 178.100 177.300 0.079 0.000 1.561 342 P CA 0.378 63.560 63.100 0.137 0.000 1.089 342 P CB 0.493 32.262 31.700 0.114 0.000 1.534 343 S N 0.018 115.759 115.700 0.069 0.000 2.440 343 S HA -0.129 4.336 4.470 -0.009 0.000 0.238 343 S C 1.797 176.402 174.600 0.008 0.000 1.010 343 S CA 0.780 58.981 58.200 0.001 0.000 0.972 343 S CB -1.478 61.699 63.200 -0.039 0.000 0.774 343 S HN 0.148 nan 8.310 nan 0.000 0.501 344 L N 0.984 122.227 121.223 0.033 0.000 2.549 344 L HA 0.036 4.370 4.340 -0.009 0.000 0.229 344 L C 2.903 179.811 176.870 0.062 0.000 1.158 344 L CA 0.596 55.457 54.840 0.035 0.000 0.842 344 L CB -0.751 41.327 42.059 0.032 0.000 0.952 344 L HN 0.475 nan 8.230 nan 0.000 0.452 345 A N 0.556 123.395 122.820 0.031 0.000 1.972 345 A HA -0.181 4.134 4.320 -0.009 0.000 0.219 345 A C 2.187 179.772 177.584 0.001 0.000 1.169 345 A CA 1.391 53.432 52.037 0.006 0.000 0.635 345 A CB -0.427 18.569 19.000 -0.008 0.000 0.810 345 A HN 0.370 nan 8.150 nan 0.000 0.446 346 I N 0.317 120.888 120.570 0.002 0.000 2.113 346 I HA -0.150 4.015 4.170 -0.009 0.000 0.238 346 I C -0.325 175.807 176.117 0.024 0.000 1.070 346 I CA 1.592 62.890 61.300 -0.005 0.000 1.332 346 I CB -1.050 36.950 38.000 0.001 0.000 1.044 346 I HN 0.255 nan 8.210 nan 0.000 0.402 347 P HA -0.156 nan 4.420 nan 0.000 0.225 347 P C 1.240 178.555 177.300 0.024 0.000 1.156 347 P CA 1.435 64.564 63.100 0.048 0.000 0.787 347 P CB 0.058 31.805 31.700 0.079 0.000 0.802 348 E N 0.401 120.683 120.200 0.138 0.000 2.072 348 E HA -0.143 4.202 4.350 -0.009 0.000 0.191 348 E C 1.930 178.514 176.600 -0.026 0.000 0.985 348 E CA 0.634 57.134 56.400 0.167 0.000 0.801 348 E CB -1.196 28.658 29.700 0.257 0.000 0.750 348 E HN -0.005 nan 8.360 nan 0.000 0.452 349 L N -0.019 121.159 121.223 -0.075 0.000 2.046 349 L HA -0.084 4.250 4.340 -0.009 0.000 0.208 349 L C 2.067 178.790 176.870 -0.245 0.000 1.077 349 L CA 1.711 56.446 54.840 -0.175 0.000 0.747 349 L CB -0.516 41.441 42.059 -0.170 0.000 0.896 349 L HN 0.236 nan 8.230 nan 0.000 0.432 350 M N -0.842 118.627 119.600 -0.217 0.000 2.117 350 M HA -0.198 4.277 4.480 -0.009 0.000 0.262 350 M C 2.420 178.546 176.300 -0.290 0.000 1.065 350 M CA 1.518 56.634 55.300 -0.307 0.000 1.114 350 M CB -1.178 31.218 32.600 -0.340 0.000 1.361 350 M HN 0.329 nan 8.290 nan 0.000 0.408 351 R N 0.127 120.483 120.500 -0.240 0.000 2.080 351 R HA -0.146 4.189 4.340 -0.009 0.000 0.236 351 R C 2.065 178.256 176.300 -0.181 0.000 1.137 351 R CA 1.833 57.796 56.100 -0.230 0.000 0.943 351 R CB -0.255 29.855 30.300 -0.316 0.000 0.846 351 R HN 0.199 nan 8.270 nan 0.000 0.431 352 V N 1.445 121.252 119.914 -0.178 0.000 2.295 352 V HA -0.258 3.857 4.120 -0.009 0.000 0.246 352 V C 2.421 178.353 176.094 -0.270 0.000 1.049 352 V CA 1.828 64.018 62.300 -0.183 0.000 1.024 352 V CB -0.417 31.295 31.823 -0.185 0.000 0.648 352 V HN 0.349 nan 8.190 nan 0.000 0.447 353 L N -0.665 120.330 121.223 -0.380 0.000 2.056 353 L HA -0.128 4.207 4.340 -0.009 0.000 0.207 353 L C 2.386 179.074 176.870 -0.304 0.000 1.078 353 L CA 1.088 55.639 54.840 -0.483 0.000 0.749 353 L CB -0.638 41.081 42.059 -0.566 0.000 0.901 353 L HN 0.204 nan 8.230 nan 0.000 0.433 354 V N -0.525 119.247 119.914 -0.236 0.000 2.300 354 V HA -0.184 3.930 4.120 -0.009 0.000 0.241 354 V C 2.010 178.061 176.094 -0.071 0.000 1.034 354 V CA 1.707 63.930 62.300 -0.129 0.000 1.021 354 V CB -0.365 31.401 31.823 -0.095 0.000 0.662 354 V HN 0.339 nan 8.190 nan 0.000 0.458 355 D N 0.079 120.432 120.400 -0.077 0.000 2.123 355 D HA -0.038 4.597 4.640 -0.009 0.000 0.200 355 D C 2.069 178.345 176.300 -0.040 0.000 0.976 355 D CA 1.251 55.226 54.000 -0.043 0.000 0.831 355 D CB -0.032 40.740 40.800 -0.047 0.000 0.974 355 D HN 0.318 nan 8.370 nan 0.000 0.469 356 L N 0.247 121.431 121.223 -0.064 0.000 2.200 356 L HA 0.082 4.416 4.340 -0.009 0.000 0.200 356 L C 1.927 178.772 176.870 -0.041 0.000 1.072 356 L CA 0.594 55.407 54.840 -0.045 0.000 0.787 356 L CB -0.059 41.974 42.059 -0.044 0.000 0.957 356 L HN -0.170 nan 8.230 nan 0.000 0.459 357 E N 0.714 120.858 120.200 -0.093 0.000 2.442 357 E HA 0.019 4.364 4.350 -0.009 0.000 0.195 357 E C 0.191 176.771 176.600 -0.034 0.000 1.030 357 E CA 0.005 56.367 56.400 -0.063 0.000 0.869 357 E CB 0.245 29.813 29.700 -0.221 0.000 0.857 357 E HN 0.271 nan 8.360 nan 0.000 0.505 358 R N -0.103 120.367 120.500 -0.051 0.000 3.656 358 R HA -0.191 4.143 4.340 -0.009 0.000 0.297 358 R C -0.419 175.873 176.300 -0.013 0.000 1.166 358 R CA 0.219 56.308 56.100 -0.017 0.000 0.799 358 R CB -2.542 27.765 30.300 0.012 0.000 1.285 358 R HN 0.034 nan 8.270 nan 0.000 0.477 359 L N 2.112 123.300 121.223 -0.058 0.000 2.439 359 L HA 0.152 4.487 4.340 -0.009 0.000 0.261 359 L C 1.320 178.186 176.870 -0.007 0.000 1.153 359 L CA 0.164 54.980 54.840 -0.039 0.000 0.808 359 L CB 0.403 42.396 42.059 -0.111 0.000 1.126 359 L HN 0.123 nan 8.230 nan 0.000 0.460 360 D N 0.474 120.894 120.400 0.033 0.000 2.362 360 D HA -0.125 4.509 4.640 -0.009 0.000 0.242 360 D C 0.949 177.315 176.300 0.110 0.000 1.132 360 D CA -0.532 53.520 54.000 0.087 0.000 0.907 360 D CB 0.734 41.591 40.800 0.095 0.000 1.195 360 D HN 0.600 nan 8.370 nan 0.000 0.429 361 W N 2.161 123.464 121.300 0.004 0.000 2.301 361 W HA -0.247 4.408 4.660 -0.009 0.000 0.325 361 W C 1.164 177.727 176.519 0.073 0.000 1.250 361 W CA 2.008 59.362 57.345 0.015 0.000 1.261 361 W CB -0.339 29.109 29.460 -0.020 0.000 1.157 361 W HN 0.494 nan 8.180 nan 0.000 0.473 362 D N 0.150 120.757 120.400 0.345 0.000 2.149 362 D HA -0.205 4.430 4.640 -0.009 0.000 0.198 362 D C 2.044 178.447 176.300 0.172 0.000 0.990 362 D CA 1.398 55.570 54.000 0.286 0.000 0.839 362 D CB -0.398 40.539 40.800 0.228 0.000 0.948 362 D HN 0.094 nan 8.370 nan 0.000 0.460 363 K N 1.102 121.561 120.400 0.098 0.000 2.025 363 K HA -0.003 4.311 4.320 -0.009 0.000 0.207 363 K C 2.013 178.605 176.600 -0.012 0.000 1.049 363 K CA 1.002 57.319 56.287 0.050 0.000 0.933 363 K CB -0.405 32.119 32.500 0.041 0.000 0.714 363 K HN 0.025 nan 8.250 nan 0.000 0.438 364 A N 0.889 123.658 122.820 -0.084 0.000 1.908 364 A HA -0.200 4.114 4.320 -0.009 0.000 0.218 364 A C 2.178 179.665 177.584 -0.161 0.000 1.181 364 A CA 1.433 53.348 52.037 -0.202 0.000 0.627 364 A CB -1.099 17.709 19.000 -0.320 0.000 0.818 364 A HN 0.665 nan 8.150 nan 0.000 0.445 365 W N 0.589 121.682 121.300 -0.344 0.000 2.363 365 W HA -0.159 4.496 4.660 -0.009 0.000 0.296 365 W C 1.986 178.447 176.519 -0.096 0.000 1.212 365 W CA 1.771 58.966 57.345 -0.249 0.000 1.260 365 W CB -0.085 29.277 29.460 -0.163 0.000 1.131 365 W HN 0.604 nan 8.180 nan 0.000 0.530 366 E N 0.069 120.259 120.200 -0.017 0.000 2.058 366 E HA -0.228 4.117 4.350 -0.009 0.000 0.194 366 E C 2.059 178.581 176.600 -0.130 0.000 0.997 366 E CA 1.942 58.299 56.400 -0.073 0.000 0.801 366 E CB -0.317 29.396 29.700 0.022 0.000 0.746 366 E HN 0.050 nan 8.360 nan 0.000 0.450 367 V N 0.725 120.579 119.914 -0.101 0.000 2.295 367 V HA -0.266 3.849 4.120 -0.009 0.000 0.246 367 V C 2.402 178.430 176.094 -0.109 0.000 1.049 367 V CA 2.190 64.448 62.300 -0.070 0.000 1.024 367 V CB -0.784 30.987 31.823 -0.086 0.000 0.648 367 V HN 0.377 nan 8.190 nan 0.000 0.447 368 T N 0.073 114.489 114.554 -0.230 0.000 2.652 368 T HA -0.185 4.159 4.350 -0.009 0.000 0.267 368 T C 1.950 176.474 174.700 -0.293 0.000 1.039 368 T CA 1.820 63.760 62.100 -0.267 0.000 1.153 368 T CB -0.306 68.345 68.868 -0.361 0.000 0.863 368 T HN 0.281 nan 8.240 nan 0.000 0.428 369 V N 1.450 121.074 119.914 -0.484 0.000 2.343 369 V HA -0.177 3.938 4.120 -0.009 0.000 0.247 369 V C 2.339 178.392 176.094 -0.068 0.000 1.051 369 V CA 1.643 63.721 62.300 -0.371 0.000 1.036 369 V CB -0.504 31.026 31.823 -0.487 0.000 0.654 369 V HN 0.479 nan 8.190 nan 0.000 0.451 370 K N -0.529 119.810 120.400 -0.102 0.000 2.365 370 K HA -0.077 4.238 4.320 -0.009 0.000 0.199 370 K C 2.065 178.632 176.600 -0.054 0.000 1.045 370 K CA 1.465 57.670 56.287 -0.137 0.000 0.962 370 K CB -0.180 32.243 32.500 -0.129 0.000 0.759 370 K HN 0.463 nan 8.250 nan 0.000 0.469 371 T N 0.207 114.791 114.554 0.051 0.000 2.976 371 T HA 0.030 4.374 4.350 -0.009 0.000 0.257 371 T C 0.907 175.716 174.700 0.182 0.000 1.051 371 T CA 0.339 62.506 62.100 0.112 0.000 1.141 371 T CB 0.121 69.093 68.868 0.174 0.000 0.881 371 T HN 0.169 nan 8.240 nan 0.000 0.461 372 C N 2.382 121.772 119.300 0.149 0.000 2.405 372 C HA 0.876 5.330 4.460 -0.009 0.000 0.365 372 C C 0.586 175.638 174.990 0.103 0.000 1.233 372 C CA -1.238 57.851 59.018 0.119 0.000 2.230 372 C CB 0.102 27.850 27.740 0.014 0.000 2.443 372 C HN 0.583 nan 8.230 nan 0.000 0.556 373 A N 1.945 124.821 122.820 0.093 0.000 2.486 373 A HA 0.746 5.060 4.320 -0.009 0.000 0.300 373 A C -1.512 176.152 177.584 0.133 0.000 1.048 373 A CA -0.412 51.631 52.037 0.010 0.000 0.696 373 A CB 1.011 20.052 19.000 0.068 0.000 1.278 373 A HN 0.951 nan 8.150 nan 0.000 0.405 374 Y N 1.159 121.417 120.300 -0.070 0.000 2.376 374 Y HA 0.658 5.203 4.550 -0.009 0.000 0.340 374 Y C -0.515 175.380 175.900 -0.008 0.000 0.965 374 Y CA -0.310 57.765 58.100 -0.041 0.000 1.078 374 Y CB 2.093 40.490 38.460 -0.106 0.000 1.193 374 Y HN 0.559 nan 8.280 nan 0.000 0.452 375 T N 6.606 120.942 114.554 -0.362 0.000 2.770 375 T HA 0.195 4.539 4.350 -0.009 0.000 0.283 375 T C -0.824 173.412 174.700 -0.772 0.000 0.988 375 T CA -0.803 61.020 62.100 -0.462 0.000 0.957 375 T CB 0.404 69.229 68.868 -0.072 0.000 0.930 375 T HN 0.658 nan 8.240 nan 0.000 0.443 376 N N 1.804 120.053 118.700 -0.751 0.000 2.473 376 N HA 0.150 4.884 4.740 -0.009 0.000 0.291 376 N C -0.009 175.384 175.510 -0.196 0.000 1.083 376 N CA -0.336 52.511 53.050 -0.339 0.000 0.951 376 N CB 0.814 39.281 38.487 -0.034 0.000 1.164 376 N HN 0.682 nan 8.380 nan 0.000 0.480 377 H N 0.836 119.937 119.070 0.052 0.000 3.058 377 H HA 0.171 4.722 4.556 -0.009 0.000 0.266 377 H C -0.223 175.014 175.328 -0.151 0.000 1.135 377 H CA -0.074 55.947 56.048 -0.044 0.000 1.174 377 H CB 1.159 30.903 29.762 -0.031 0.000 1.581 377 H HN 0.543 nan 8.280 nan 0.000 0.553 378 T N 0.197 114.778 114.554 0.044 0.000 2.827 378 T HA 0.240 4.585 4.350 -0.009 0.000 0.328 378 T C 0.201 174.924 174.700 0.040 0.000 1.598 378 T CA -0.279 61.797 62.100 -0.040 0.000 1.043 378 T CB 1.320 70.169 68.868 -0.030 0.000 1.447 378 T HN -0.042 nan 8.240 nan 0.000 0.491 379 V N 1.123 121.019 119.914 -0.030 0.000 3.432 379 V HA 0.561 4.675 4.120 -0.009 0.000 0.298 379 V C 0.555 176.615 176.094 -0.057 0.000 1.464 379 V CA -0.096 62.176 62.300 -0.047 0.000 1.046 379 V CB -0.320 31.473 31.823 -0.051 0.000 0.887 379 V HN 0.691 nan 8.190 nan 0.000 0.441 380 L N 3.378 124.559 121.223 -0.070 0.000 2.477 380 L HA 0.229 4.564 4.340 -0.009 0.000 0.272 380 L C -0.459 176.416 176.870 0.008 0.000 1.157 380 L CA -1.039 53.782 54.840 -0.031 0.000 0.889 380 L CB 0.858 42.881 42.059 -0.061 0.000 1.158 380 L HN 0.121 nan 8.230 nan 0.000 0.473 381 P HA -0.235 nan 4.420 nan 0.000 0.216 381 P C 0.897 178.206 177.300 0.015 0.000 1.153 381 P CA 1.380 64.489 63.100 0.014 0.000 0.858 381 P CB 0.042 31.756 31.700 0.022 0.000 0.789 382 E N 0.171 120.408 120.200 0.062 0.000 2.472 382 E HA -0.041 4.303 4.350 -0.009 0.000 0.200 382 E C 1.559 178.140 176.600 -0.031 0.000 1.046 382 E CA 1.041 57.465 56.400 0.040 0.000 0.871 382 E CB -0.625 29.206 29.700 0.217 0.000 0.806 382 E HN 0.244 nan 8.360 nan 0.000 0.533 383 A N 1.127 123.963 122.820 0.027 0.000 2.197 383 A HA 0.248 4.562 4.320 -0.009 0.000 0.210 383 A C 1.296 178.866 177.584 -0.023 0.000 1.180 383 A CA -0.341 51.721 52.037 0.043 0.000 0.846 383 A CB 0.084 19.140 19.000 0.092 0.000 0.884 383 A HN 0.133 nan 8.150 nan 0.000 0.487 384 L N 1.493 122.666 121.223 -0.084 0.000 2.416 384 L HA 0.165 4.499 4.340 -0.009 0.000 0.272 384 L C -0.117 176.445 176.870 -0.513 0.000 1.161 384 L CA -0.077 54.658 54.840 -0.174 0.000 0.845 384 L CB 0.475 42.470 42.059 -0.106 0.000 1.119 384 L HN 0.337 nan 8.230 nan 0.000 0.464 385 E N 3.976 123.772 120.200 -0.674 0.000 2.180 385 E HA 0.229 4.574 4.350 -0.009 0.000 0.283 385 E C -0.661 175.327 176.600 -1.020 0.000 1.061 385 E CA -0.214 55.342 56.400 -1.407 0.000 0.861 385 E CB 0.702 29.888 29.700 -0.857 0.000 1.056 385 E HN 0.412 nan 8.360 nan 0.000 0.407 386 R N 3.938 123.726 120.500 -1.186 0.000 2.472 386 R HA 0.211 4.546 4.340 -0.009 0.000 0.294 386 R C -1.207 174.935 176.300 -0.264 0.000 1.243 386 R CA -0.607 55.216 56.100 -0.463 0.000 1.023 386 R CB 0.855 31.007 30.300 -0.247 0.000 1.157 386 R HN 0.431 nan 8.270 nan 0.000 0.530 387 W N 4.106 125.363 121.300 -0.072 0.000 2.316 387 W HA 0.288 4.943 4.660 -0.009 0.000 0.311 387 W C -1.956 174.533 176.519 -0.050 0.000 1.217 387 W CA -2.170 55.189 57.345 0.023 0.000 1.199 387 W CB 0.742 30.194 29.460 -0.013 0.000 1.202 387 W HN 0.244 nan 8.180 nan 0.000 0.528 388 P HA -0.075 nan 4.420 nan 0.000 0.268 388 P C 0.767 177.984 177.300 -0.137 0.000 1.204 388 P CA 0.176 63.224 63.100 -0.086 0.000 0.768 388 P CB 0.790 32.255 31.700 -0.392 0.000 0.842 389 V N 3.146 123.029 119.914 -0.052 0.000 2.469 389 V HA -0.279 3.836 4.120 -0.009 0.000 0.251 389 V C 2.082 178.177 176.094 0.002 0.000 1.064 389 V CA 2.462 64.761 62.300 -0.000 0.000 1.066 389 V CB -1.716 30.171 31.823 0.106 0.000 0.667 389 V HN 0.756 nan 8.190 nan 0.000 0.461 390 H N -1.060 118.068 119.070 0.096 0.000 2.456 390 H HA -0.092 4.458 4.556 -0.009 0.000 0.296 390 H C 2.010 177.387 175.328 0.081 0.000 1.079 390 H CA 1.682 57.782 56.048 0.087 0.000 1.322 390 H CB -0.490 29.323 29.762 0.086 0.000 1.388 390 H HN 0.381 nan 8.280 nan 0.000 0.538 391 L N -0.134 121.008 121.223 -0.135 0.000 2.049 391 L HA -0.022 4.313 4.340 -0.009 0.000 0.203 391 L C 2.260 179.103 176.870 -0.044 0.000 1.074 391 L CA 0.822 55.660 54.840 -0.004 0.000 0.749 391 L CB -0.171 41.862 42.059 -0.043 0.000 0.907 391 L HN 0.302 nan 8.230 nan 0.000 0.439 392 L N -0.430 120.730 121.223 -0.106 0.000 2.131 392 L HA -0.251 4.083 4.340 -0.009 0.000 0.210 392 L C 2.462 179.272 176.870 -0.100 0.000 1.092 392 L CA 1.182 55.926 54.840 -0.159 0.000 0.759 392 L CB -0.434 41.517 42.059 -0.181 0.000 0.903 392 L HN 0.368 nan 8.230 nan 0.000 0.435 393 E N -0.435 119.750 120.200 -0.025 0.000 2.077 393 E HA -0.199 4.146 4.350 -0.009 0.000 0.193 393 E C 1.893 178.533 176.600 0.066 0.000 0.989 393 E CA 1.776 58.193 56.400 0.027 0.000 0.800 393 E CB 0.169 29.923 29.700 0.091 0.000 0.746 393 E HN 0.426 nan 8.360 nan 0.000 0.452 394 T N 0.735 115.354 114.554 0.108 0.000 2.894 394 T HA -0.057 4.287 4.350 -0.009 0.000 0.258 394 T C 1.692 176.522 174.700 0.217 0.000 1.043 394 T CA 0.528 62.743 62.100 0.192 0.000 1.141 394 T CB -0.079 68.933 68.868 0.239 0.000 0.873 394 T HN 0.062 nan 8.240 nan 0.000 0.449 395 L N 0.206 121.462 121.223 0.055 0.000 2.095 395 L HA 0.334 4.668 4.340 -0.009 0.000 0.204 395 L C 0.367 177.184 176.870 -0.088 0.000 1.080 395 L CA 1.636 56.398 54.840 -0.130 0.000 0.759 395 L CB -0.011 41.933 42.059 -0.191 0.000 0.914 395 L HN 0.173 nan 8.230 nan 0.000 0.439 396 L N 0.815 121.939 121.223 -0.165 0.000 2.551 396 L HA 0.292 4.627 4.340 -0.009 0.000 0.248 396 L C -1.661 175.027 176.870 -0.304 0.000 1.509 396 L CA -0.974 53.673 54.840 -0.321 0.000 0.842 396 L CB 0.941 42.649 42.059 -0.585 0.000 1.087 396 L HN -0.052 nan 8.230 nan 0.000 0.512 397 P HA -0.225 nan 4.420 nan 0.000 0.216 397 P C 1.441 178.547 177.300 -0.323 0.000 1.153 397 P CA 1.236 64.218 63.100 -0.197 0.000 0.858 397 P CB 0.422 32.082 31.700 -0.066 0.000 0.789 398 R N -0.028 120.090 120.500 -0.637 0.000 2.075 398 R HA -0.142 4.193 4.340 -0.009 0.000 0.232 398 R C 2.356 178.351 176.300 -0.508 0.000 1.126 398 R CA 1.724 57.457 56.100 -0.612 0.000 0.963 398 R CB -1.797 27.953 30.300 -0.916 0.000 0.858 398 R HN 0.251 nan 8.270 nan 0.000 0.435 399 H N -0.262 118.484 119.070 -0.540 0.000 2.421 399 H HA -0.049 4.502 4.556 -0.009 0.000 0.298 399 H C 1.789 176.939 175.328 -0.297 0.000 1.087 399 H CA 1.554 57.374 56.048 -0.381 0.000 1.330 399 H CB -0.111 29.388 29.762 -0.439 0.000 1.388 399 H HN 0.095 nan 8.280 nan 0.000 0.526 400 L N 0.492 121.588 121.223 -0.212 0.000 2.046 400 L HA -0.229 4.106 4.340 -0.009 0.000 0.208 400 L C 1.824 178.505 176.870 -0.314 0.000 1.077 400 L CA 1.558 56.209 54.840 -0.316 0.000 0.747 400 L CB -0.260 41.634 42.059 -0.275 0.000 0.896 400 L HN 0.455 nan 8.230 nan 0.000 0.432 401 Q N -0.279 119.447 119.800 -0.123 0.000 2.084 401 Q HA -0.225 4.109 4.340 -0.009 0.000 0.202 401 Q C 2.166 178.188 176.000 0.037 0.000 0.978 401 Q CA 1.540 57.364 55.803 0.035 0.000 0.844 401 Q CB -0.092 28.671 28.738 0.041 0.000 0.898 401 Q HN 0.557 nan 8.270 nan 0.000 0.426 402 I N 0.564 121.132 120.570 -0.004 0.000 2.315 402 I HA -0.258 3.906 4.170 -0.009 0.000 0.248 402 I C 2.168 178.358 176.117 0.121 0.000 1.117 402 I CA 1.036 62.413 61.300 0.129 0.000 1.404 402 I CB -0.155 37.863 38.000 0.030 0.000 1.071 402 I HN 0.204 nan 8.210 nan 0.000 0.419 403 I N -0.516 120.041 120.570 -0.023 0.000 2.315 403 I HA -0.293 3.871 4.170 -0.009 0.000 0.248 403 I C 2.367 178.491 176.117 0.011 0.000 1.117 403 I CA 1.316 62.589 61.300 -0.044 0.000 1.404 403 I CB -0.333 37.569 38.000 -0.162 0.000 1.071 403 I HN 0.155 nan 8.210 nan 0.000 0.419 404 Y N 0.883 121.184 120.300 0.002 0.000 2.200 404 Y HA -0.242 4.302 4.550 -0.009 0.000 0.290 404 Y C 2.591 178.454 175.900 -0.062 0.000 1.137 404 Y CA 1.301 59.389 58.100 -0.020 0.000 1.163 404 Y CB -0.718 37.723 38.460 -0.032 0.000 0.988 404 Y HN 0.144 nan 8.280 nan 0.000 0.518 405 E N 0.444 120.679 120.200 0.059 0.000 2.051 405 E HA -0.156 4.189 4.350 -0.009 0.000 0.192 405 E C 2.117 178.622 176.600 -0.158 0.000 0.991 405 E CA 1.343 57.631 56.400 -0.186 0.000 0.799 405 E CB -0.536 28.889 29.700 -0.460 0.000 0.748 405 E HN 0.458 nan 8.360 nan 0.000 0.449 406 I N 0.631 121.211 120.570 0.017 0.000 2.163 406 I HA -0.304 3.861 4.170 -0.009 0.000 0.243 406 I C 2.271 178.384 176.117 -0.006 0.000 1.085 406 I CA 1.413 62.678 61.300 -0.059 0.000 1.347 406 I CB -0.398 37.579 38.000 -0.039 0.000 1.044 406 I HN 0.213 nan 8.210 nan 0.000 0.408 407 N N 0.788 119.534 118.700 0.077 0.000 2.069 407 N HA -0.271 4.464 4.740 -0.009 0.000 0.191 407 N C 1.862 177.461 175.510 0.148 0.000 1.031 407 N CA 1.645 54.795 53.050 0.168 0.000 0.852 407 N CB -0.165 38.436 38.487 0.191 0.000 1.018 407 N HN 0.283 nan 8.380 nan 0.000 0.423 408 Q N -0.039 119.791 119.800 0.051 0.000 2.045 408 Q HA -0.146 4.189 4.340 -0.009 0.000 0.206 408 Q C 2.039 178.021 176.000 -0.030 0.000 0.991 408 Q CA 1.745 57.539 55.803 -0.015 0.000 0.851 408 Q CB -0.021 28.664 28.738 -0.089 0.000 0.911 408 Q HN 0.400 nan 8.270 nan 0.000 0.418 409 R N -0.801 119.656 120.500 -0.073 0.000 2.115 409 R HA -0.123 4.212 4.340 -0.009 0.000 0.230 409 R C 2.166 178.489 176.300 0.039 0.000 1.111 409 R CA 1.119 57.175 56.100 -0.072 0.000 0.976 409 R CB -0.346 29.854 30.300 -0.166 0.000 0.870 409 R HN 0.288 nan 8.270 nan 0.000 0.445 410 F N 1.643 121.566 119.950 -0.045 0.000 2.113 410 F HA -0.073 4.448 4.527 -0.009 0.000 0.297 410 F C 1.891 177.717 175.800 0.043 0.000 1.103 410 F CA 1.256 59.279 58.000 0.039 0.000 1.248 410 F CB -0.261 38.794 39.000 0.092 0.000 0.999 410 F HN -0.141 nan 8.300 nan 0.000 0.475 411 L N 0.082 121.302 121.223 -0.006 0.000 2.191 411 L HA -0.239 4.096 4.340 -0.009 0.000 0.212 411 L C 1.959 178.755 176.870 -0.123 0.000 1.103 411 L CA 1.464 56.239 54.840 -0.108 0.000 0.769 411 L CB -0.884 41.183 42.059 0.013 0.000 0.908 411 L HN 0.284 nan 8.230 nan 0.000 0.438 412 N N -0.249 118.399 118.700 -0.087 0.000 2.188 412 N HA -0.135 4.600 4.740 -0.009 0.000 0.184 412 N C 1.906 177.357 175.510 -0.098 0.000 1.018 412 N CA 0.633 53.636 53.050 -0.078 0.000 0.858 412 N CB 0.056 38.506 38.487 -0.062 0.000 0.989 412 N HN 0.296 nan 8.380 nan 0.000 0.426 413 R N 0.503 120.924 120.500 -0.131 0.000 2.092 413 R HA -0.028 4.307 4.340 -0.009 0.000 0.231 413 R C 2.153 178.347 176.300 -0.176 0.000 1.119 413 R CA 0.779 56.799 56.100 -0.133 0.000 0.970 413 R CB -0.244 29.988 30.300 -0.114 0.000 0.864 413 R HN 0.079 nan 8.270 nan 0.000 0.440 414 V N 0.986 120.747 119.914 -0.256 0.000 2.307 414 V HA -0.223 3.891 4.120 -0.009 0.000 0.245 414 V C 2.449 178.533 176.094 -0.018 0.000 1.045 414 V CA 1.956 64.173 62.300 -0.139 0.000 1.024 414 V CB -0.721 30.956 31.823 -0.245 0.000 0.651 414 V HN 0.387 nan 8.190 nan 0.000 0.449 415 A N 0.085 122.869 122.820 -0.059 0.000 1.940 415 A HA -0.144 4.170 4.320 -0.009 0.000 0.219 415 A C 2.372 179.929 177.584 -0.045 0.000 1.176 415 A CA 2.192 54.211 52.037 -0.029 0.000 0.631 415 A CB -0.722 18.253 19.000 -0.042 0.000 0.814 415 A HN 0.588 nan 8.150 nan 0.000 0.446 416 A N -0.729 122.042 122.820 -0.081 0.000 2.014 416 A HA 0.320 4.634 4.320 -0.009 0.000 0.218 416 A C 2.333 179.819 177.584 -0.164 0.000 1.163 416 A CA 1.676 53.654 52.037 -0.099 0.000 0.652 416 A CB -0.608 18.339 19.000 -0.088 0.000 0.808 416 A HN 0.966 nan 8.150 nan 0.000 0.449 417 A N -1.659 121.008 122.820 -0.254 0.000 2.030 417 A HA 0.414 4.729 4.320 -0.009 0.000 0.215 417 A C 0.373 177.486 177.584 -0.784 0.000 1.164 417 A CA 0.453 52.159 52.037 -0.552 0.000 0.697 417 A CB -0.087 18.476 19.000 -0.730 0.000 0.827 417 A HN 0.402 nan 8.150 nan 0.000 0.457 418 F N -0.002 119.901 119.950 -0.078 0.000 2.622 418 F HA 0.349 4.870 4.527 -0.009 0.000 0.338 418 F C -2.809 172.954 175.800 -0.063 0.000 1.334 418 F CA -2.971 54.987 58.000 -0.069 0.000 1.179 418 F CB 0.690 39.640 39.000 -0.083 0.000 1.471 418 F HN -0.077 nan 8.300 nan 0.000 0.576 419 P HA 0.170 nan 4.420 nan 0.000 0.261 419 P C 1.023 178.342 177.300 0.032 0.000 1.183 419 P CA 1.163 64.274 63.100 0.018 0.000 0.761 419 P CB 0.762 32.456 31.700 -0.011 0.000 0.785 420 G N 2.808 111.619 108.800 0.019 0.000 2.225 420 G HA2 -0.251 3.704 3.960 -0.009 0.000 0.254 420 G HA3 -0.251 3.704 3.960 -0.009 0.000 0.254 420 G C 0.389 175.297 174.900 0.013 0.000 0.988 420 G CA 0.036 45.144 45.100 0.013 0.000 0.625 420 G HN 0.600 nan 8.290 nan 0.000 0.527 421 D N 1.588 122.005 120.400 0.028 0.000 2.551 421 D HA 0.363 4.998 4.640 -0.009 0.000 0.223 421 D C 2.126 178.416 176.300 -0.017 0.000 1.144 421 D CA 0.445 54.446 54.000 0.001 0.000 1.025 421 D CB 0.371 41.166 40.800 -0.007 0.000 1.085 421 D HN 0.642 nan 8.370 nan 0.000 0.506 422 V N 0.734 120.640 119.914 -0.014 0.000 2.515 422 V HA -0.148 3.966 4.120 -0.009 0.000 0.250 422 V C 1.755 177.837 176.094 -0.020 0.000 1.058 422 V CA 1.573 63.864 62.300 -0.014 0.000 1.064 422 V CB -0.416 31.402 31.823 -0.008 0.000 0.675 422 V HN 0.212 nan 8.190 nan 0.000 0.461 423 D N 0.393 120.777 120.400 -0.027 0.000 2.183 423 D HA -0.154 4.481 4.640 -0.009 0.000 0.203 423 D C 2.319 178.592 176.300 -0.046 0.000 0.969 423 D CA 1.246 55.230 54.000 -0.026 0.000 0.842 423 D CB -0.200 40.585 40.800 -0.026 0.000 0.957 423 D HN 0.466 nan 8.370 nan 0.000 0.484 424 R N -0.126 120.323 120.500 -0.085 0.000 2.081 424 R HA -0.078 4.257 4.340 -0.009 0.000 0.235 424 R C 2.258 178.493 176.300 -0.108 0.000 1.131 424 R CA 0.870 56.884 56.100 -0.144 0.000 0.960 424 R CB -0.256 29.898 30.300 -0.244 0.000 0.856 424 R HN 0.248 nan 8.270 nan 0.000 0.436 425 L N 0.362 121.546 121.223 -0.066 0.000 2.012 425 L HA -0.221 4.114 4.340 -0.009 0.000 0.210 425 L C 2.936 179.812 176.870 0.010 0.000 1.073 425 L CA 1.790 56.610 54.840 -0.034 0.000 0.748 425 L CB -0.579 41.469 42.059 -0.018 0.000 0.891 425 L HN 0.307 nan 8.230 nan 0.000 0.431 426 R N 0.486 120.996 120.500 0.016 0.000 2.081 426 R HA -0.155 4.179 4.340 -0.009 0.000 0.235 426 R C 2.440 178.791 176.300 0.085 0.000 1.131 426 R CA 1.408 57.538 56.100 0.050 0.000 0.960 426 R CB -0.080 30.241 30.300 0.036 0.000 0.856 426 R HN 0.307 nan 8.270 nan 0.000 0.436 427 R N -0.336 120.197 120.500 0.055 0.000 2.115 427 R HA -0.026 4.309 4.340 -0.009 0.000 0.230 427 R C 2.105 178.495 176.300 0.150 0.000 1.111 427 R CA 1.501 57.661 56.100 0.100 0.000 0.976 427 R CB -0.076 30.245 30.300 0.034 0.000 0.870 427 R HN 0.334 nan 8.270 nan 0.000 0.445 428 M N 0.120 119.733 119.600 0.022 0.000 2.509 428 M HA 0.054 4.529 4.480 -0.009 0.000 0.250 428 M C 0.839 177.323 176.300 0.306 0.000 1.132 428 M CA -0.023 55.253 55.300 -0.040 0.000 1.080 428 M CB 0.476 32.881 32.600 -0.325 0.000 1.408 428 M HN -0.084 nan 8.290 nan 0.000 0.484 429 S N 1.181 117.057 115.700 0.292 0.000 2.558 429 S HA 0.053 4.517 4.470 -0.009 0.000 0.291 429 S C 1.130 175.988 174.600 0.429 0.000 1.306 429 S CA -0.218 58.176 58.200 0.324 0.000 1.056 429 S CB 0.567 63.895 63.200 0.213 0.000 0.836 429 S HN 0.376 nan 8.310 nan 0.000 0.504 430 L N 4.070 125.495 121.223 0.337 0.000 2.313 430 L HA 0.112 4.447 4.340 -0.009 0.000 0.214 430 L C 0.304 177.274 176.870 0.167 0.000 1.119 430 L CA 0.301 55.292 54.840 0.251 0.000 0.809 430 L CB -0.366 41.782 42.059 0.148 0.000 0.933 430 L HN 0.402 nan 8.230 nan 0.000 0.449 431 V N 0.852 120.880 119.914 0.191 0.000 2.383 431 V HA 0.166 4.280 4.120 -0.009 0.000 0.275 431 V C 0.117 176.295 176.094 0.141 0.000 1.036 431 V CA -0.554 61.846 62.300 0.166 0.000 0.889 431 V CB 1.425 33.384 31.823 0.227 0.000 0.985 431 V HN 0.165 nan 8.190 nan 0.000 0.459 432 E N 3.774 124.036 120.200 0.102 0.000 2.200 432 E HA 0.314 4.659 4.350 -0.009 0.000 0.283 432 E C -0.347 176.302 176.600 0.082 0.000 1.015 432 E CA -0.559 55.893 56.400 0.086 0.000 0.819 432 E CB 1.317 31.047 29.700 0.050 0.000 1.081 432 E HN 0.586 nan 8.360 nan 0.000 0.397 433 E N 0.969 121.215 120.200 0.077 0.000 2.351 433 E HA 0.541 4.886 4.350 -0.009 0.000 0.255 433 E C 0.497 177.132 176.600 0.059 0.000 1.188 433 E CA -0.163 56.277 56.400 0.067 0.000 0.940 433 E CB 1.286 31.020 29.700 0.056 0.000 1.094 433 E HN 0.752 nan 8.360 nan 0.000 0.474 434 G N -0.706 108.127 108.800 0.054 0.000 2.318 434 G HA2 0.044 3.999 3.960 -0.009 0.000 0.367 434 G HA3 0.044 3.999 3.960 -0.009 0.000 0.367 434 G C 0.605 175.537 174.900 0.053 0.000 1.260 434 G CA 0.413 45.543 45.100 0.049 0.000 1.055 434 G HN 0.509 nan 8.290 nan 0.000 0.484 435 A N -1.151 121.699 122.820 0.049 0.000 1.929 435 A HA 0.232 4.547 4.320 -0.009 0.000 0.221 435 A C 1.782 179.407 177.584 0.069 0.000 1.211 435 A CA 3.783 55.851 52.037 0.052 0.000 0.657 435 A CB -0.668 18.361 19.000 0.047 0.000 0.827 435 A HN 2.373 nan 8.150 nan 0.000 0.462 436 V N 0.131 120.094 119.914 0.082 0.000 2.567 436 V HA 0.384 4.499 4.120 -0.009 0.000 0.298 436 V C -0.810 175.347 176.094 0.105 0.000 1.047 436 V CA -1.140 61.229 62.300 0.115 0.000 0.880 436 V CB 1.493 33.401 31.823 0.142 0.000 1.009 436 V HN 0.392 nan 8.190 nan 0.000 0.429 437 K N 5.967 126.436 120.400 0.114 0.000 2.448 437 K HA 0.359 4.673 4.320 -0.009 0.000 0.278 437 K C -0.305 176.350 176.600 0.092 0.000 1.009 437 K CA 0.069 56.420 56.287 0.106 0.000 0.995 437 K CB 0.709 33.287 32.500 0.129 0.000 0.917 437 K HN 0.681 nan 8.250 nan 0.000 0.481 438 R N 1.512 122.058 120.500 0.076 0.000 2.867 438 R HA 0.495 4.829 4.340 -0.009 0.000 0.268 438 R C -0.589 175.740 176.300 0.048 0.000 1.014 438 R CA -1.036 55.098 56.100 0.056 0.000 0.946 438 R CB 1.312 31.631 30.300 0.032 0.000 1.208 438 R HN 0.364 nan 8.270 nan 0.000 0.477 439 I N 1.866 122.461 120.570 0.040 0.000 2.339 439 I HA 0.169 4.334 4.170 -0.009 0.000 0.290 439 I C -0.275 175.818 176.117 -0.040 0.000 0.994 439 I CA -0.744 60.566 61.300 0.017 0.000 1.191 439 I CB 1.271 39.281 38.000 0.017 0.000 1.343 439 I HN 0.508 nan 8.210 nan 0.000 0.458 440 N N 7.182 125.828 118.700 -0.091 0.000 2.415 440 N HA 0.095 4.830 4.740 -0.009 0.000 0.250 440 N C 0.832 176.231 175.510 -0.186 0.000 1.127 440 N CA -0.330 52.584 53.050 -0.227 0.000 0.945 440 N CB 0.949 39.151 38.487 -0.474 0.000 1.196 440 N HN 0.379 nan 8.380 nan 0.000 0.499 441 M N 2.340 121.838 119.600 -0.170 0.000 2.296 441 M HA -0.067 4.407 4.480 -0.009 0.000 0.265 441 M C 1.904 178.058 176.300 -0.243 0.000 1.064 441 M CA 0.707 55.924 55.300 -0.139 0.000 1.109 441 M CB -1.523 31.039 32.600 -0.063 0.000 1.396 441 M HN 0.595 nan 8.290 nan 0.000 0.430 442 A N -0.510 122.158 122.820 -0.253 0.000 1.930 442 A HA -0.163 4.152 4.320 -0.009 0.000 0.217 442 A C 1.977 179.323 177.584 -0.396 0.000 1.175 442 A CA 1.397 53.247 52.037 -0.312 0.000 0.627 442 A CB -1.094 17.912 19.000 0.010 0.000 0.815 442 A HN 0.597 nan 8.150 nan 0.000 0.443 443 H N -1.523 117.315 119.070 -0.386 0.000 2.389 443 H HA -0.082 4.468 4.556 -0.009 0.000 0.299 443 H C 2.072 177.154 175.328 -0.409 0.000 1.081 443 H CA 1.019 56.785 56.048 -0.469 0.000 1.345 443 H CB 0.014 29.718 29.762 -0.098 0.000 1.393 443 H HN 0.435 nan 8.280 nan 0.000 0.520 444 L N 0.646 121.771 121.223 -0.162 0.000 2.046 444 L HA -0.164 4.171 4.340 -0.009 0.000 0.208 444 L C 2.201 178.932 176.870 -0.233 0.000 1.077 444 L CA 1.446 56.194 54.840 -0.153 0.000 0.747 444 L CB -0.748 41.252 42.059 -0.098 0.000 0.896 444 L HN 0.284 nan 8.230 nan 0.000 0.432 445 C N -0.427 118.635 119.300 -0.398 0.000 2.429 445 C HA -0.097 4.357 4.460 -0.009 0.000 0.277 445 C C 2.719 177.454 174.990 -0.425 0.000 1.262 445 C CA 0.868 59.579 59.018 -0.512 0.000 1.733 445 C CB -0.897 26.175 27.740 -1.113 0.000 2.010 445 C HN 0.603 nan 8.230 nan 0.000 0.483 446 I N 1.346 121.615 120.570 -0.502 0.000 2.252 446 I HA -0.183 3.981 4.170 -0.009 0.000 0.245 446 I C 2.756 178.717 176.117 -0.260 0.000 1.102 446 I CA 1.602 62.654 61.300 -0.413 0.000 1.385 446 I CB -0.560 37.042 38.000 -0.663 0.000 1.064 446 I HN 0.262 nan 8.210 nan 0.000 0.414 447 A N 0.623 123.261 122.820 -0.304 0.000 1.933 447 A HA -0.086 4.229 4.320 -0.009 0.000 0.218 447 A C 2.212 179.826 177.584 0.050 0.000 1.175 447 A CA 1.828 53.735 52.037 -0.218 0.000 0.628 447 A CB -1.133 17.536 19.000 -0.551 0.000 0.814 447 A HN 0.472 nan 8.150 nan 0.000 0.444 448 G N -1.064 107.710 108.800 -0.043 0.000 3.284 448 G HA2 0.409 4.364 3.960 -0.009 0.000 0.236 448 G HA3 0.409 4.364 3.960 -0.009 0.000 0.236 448 G C 0.075 174.812 174.900 -0.273 0.000 1.158 448 G CA 0.476 45.430 45.100 -0.244 0.000 0.774 448 G HN 0.344 nan 8.290 nan 0.000 0.545 449 S N -0.263 115.331 115.700 -0.176 0.000 2.513 449 S HA 0.312 4.777 4.470 -0.009 0.000 0.299 449 S C 0.690 175.232 174.600 -0.097 0.000 1.087 449 S CA -0.717 57.407 58.200 -0.126 0.000 1.012 449 S CB 1.266 64.399 63.200 -0.111 0.000 1.044 449 S HN 0.506 nan 8.310 nan 0.000 0.485 450 H N 0.008 119.038 119.070 -0.067 0.000 2.548 450 H HA 0.493 5.043 4.556 -0.009 0.000 0.265 450 H C 0.108 175.417 175.328 -0.032 0.000 0.969 450 H CA 0.251 56.284 56.048 -0.025 0.000 1.155 450 H CB 0.123 29.888 29.762 0.005 0.000 1.394 450 H HN 0.518 nan 8.280 nan 0.000 0.570 451 A N 0.894 123.400 122.820 -0.524 0.000 2.488 451 A HA 0.556 4.870 4.320 -0.009 0.000 0.298 451 A C -1.453 175.935 177.584 -0.327 0.000 1.044 451 A CA -0.571 51.213 52.037 -0.421 0.000 0.693 451 A CB 2.179 20.888 19.000 -0.485 0.000 1.272 451 A HN 0.098 nan 8.150 nan 0.000 0.402 452 V N 4.197 123.891 119.914 -0.366 0.000 2.577 452 V HA 0.546 4.661 4.120 -0.009 0.000 0.303 452 V C -0.813 175.121 176.094 -0.268 0.000 1.042 452 V CA -0.761 61.335 62.300 -0.340 0.000 0.872 452 V CB 1.839 33.333 31.823 -0.548 0.000 0.998 452 V HN 1.026 nan 8.190 nan 0.000 0.423 453 N N 3.080 121.637 118.700 -0.239 0.000 2.262 453 N HA 0.620 5.355 4.740 -0.009 0.000 0.295 453 N C -0.279 175.137 175.510 -0.157 0.000 1.161 453 N CA -0.383 52.562 53.050 -0.175 0.000 0.767 453 N CB 2.889 41.244 38.487 -0.219 0.000 1.499 453 N HN 0.637 nan 8.380 nan 0.000 0.476 454 G N -0.811 107.926 108.800 -0.106 0.000 2.522 454 G HA2 0.424 4.378 3.960 -0.009 0.000 0.304 454 G HA3 0.424 4.378 3.960 -0.009 0.000 0.304 454 G C 0.741 175.697 174.900 0.094 0.000 1.210 454 G CA -0.523 44.550 45.100 -0.044 0.000 0.960 454 G HN 0.631 nan 8.290 nan 0.000 0.497 455 V N -3.563 116.537 119.914 0.310 0.000 3.376 455 V HA 0.693 4.807 4.120 -0.009 0.000 0.313 455 V C 0.547 176.724 176.094 0.138 0.000 1.393 455 V CA 0.316 62.706 62.300 0.150 0.000 1.125 455 V CB -0.817 31.053 31.823 0.078 0.000 1.037 455 V HN 1.341 nan 8.190 nan 0.000 0.440 456 A N -0.147 122.762 122.820 0.149 0.000 2.594 456 A HA 0.652 4.966 4.320 -0.009 0.000 0.296 456 A C 0.588 178.219 177.584 0.077 0.000 1.056 456 A CA -0.133 51.969 52.037 0.107 0.000 0.693 456 A CB 1.195 20.249 19.000 0.090 0.000 1.278 456 A HN 0.063 nan 8.150 nan 0.000 0.408 457 R N 0.943 121.468 120.500 0.042 0.000 2.094 457 R HA -0.167 4.167 4.340 -0.009 0.000 0.239 457 R C 1.746 178.040 176.300 -0.010 0.000 1.137 457 R CA 2.370 58.472 56.100 0.003 0.000 0.943 457 R CB -0.261 30.038 30.300 -0.003 0.000 0.850 457 R HN 0.811 nan 8.270 nan 0.000 0.433 458 I N 0.146 120.720 120.570 0.006 0.000 2.286 458 I HA -0.291 3.874 4.170 -0.009 0.000 0.248 458 I C 2.244 178.366 176.117 0.008 0.000 1.115 458 I CA 1.804 63.100 61.300 -0.007 0.000 1.392 458 I CB -0.194 37.801 38.000 -0.008 0.000 1.065 458 I HN 0.368 nan 8.210 nan 0.000 0.418 459 H N 0.277 119.312 119.070 -0.057 0.000 2.326 459 H HA -0.107 4.444 4.556 -0.009 0.000 0.301 459 H C 2.280 177.562 175.328 -0.076 0.000 1.081 459 H CA 2.165 58.172 56.048 -0.068 0.000 1.334 459 H CB -0.306 29.423 29.762 -0.055 0.000 1.385 459 H HN 0.222 nan 8.280 nan 0.000 0.504 460 S N 0.345 115.909 115.700 -0.226 0.000 2.382 460 S HA -0.130 4.335 4.470 -0.009 0.000 0.228 460 S C 1.908 176.367 174.600 -0.234 0.000 1.027 460 S CA 1.246 59.286 58.200 -0.266 0.000 0.991 460 S CB -0.084 63.039 63.200 -0.128 0.000 0.823 460 S HN 0.478 nan 8.310 nan 0.000 0.469 461 E N 1.148 121.241 120.200 -0.178 0.000 2.072 461 E HA 0.003 4.348 4.350 -0.009 0.000 0.191 461 E C 2.030 178.507 176.600 -0.204 0.000 0.985 461 E CA 0.635 56.924 56.400 -0.185 0.000 0.801 461 E CB -0.371 29.255 29.700 -0.123 0.000 0.750 461 E HN 0.505 nan 8.360 nan 0.000 0.452 462 I N 1.005 121.469 120.570 -0.177 0.000 2.264 462 I HA -0.279 3.886 4.170 -0.009 0.000 0.248 462 I C 2.399 178.378 176.117 -0.231 0.000 1.111 462 I CA 0.810 62.011 61.300 -0.165 0.000 1.382 462 I CB -0.261 37.675 38.000 -0.106 0.000 1.060 462 I HN 0.073 nan 8.210 nan 0.000 0.418 463 L N 0.425 121.461 121.223 -0.310 0.000 2.046 463 L HA -0.229 4.105 4.340 -0.009 0.000 0.208 463 L C 2.506 179.215 176.870 -0.268 0.000 1.077 463 L CA 1.597 56.238 54.840 -0.333 0.000 0.747 463 L CB -0.549 41.356 42.059 -0.258 0.000 0.896 463 L HN 0.214 nan 8.230 nan 0.000 0.432 464 K N -0.007 120.177 120.400 -0.359 0.000 2.155 464 K HA -0.110 4.205 4.320 -0.009 0.000 0.203 464 K C 2.032 178.438 176.600 -0.323 0.000 1.052 464 K CA 0.923 56.879 56.287 -0.552 0.000 0.948 464 K CB 0.057 31.971 32.500 -0.977 0.000 0.728 464 K HN 0.271 nan 8.250 nan 0.000 0.448 465 K N -0.003 120.258 120.400 -0.232 0.000 2.243 465 K HA -0.035 4.280 4.320 -0.009 0.000 0.201 465 K C 1.883 178.429 176.600 -0.090 0.000 1.051 465 K CA 1.451 57.658 56.287 -0.133 0.000 0.970 465 K CB 0.391 32.822 32.500 -0.115 0.000 0.755 465 K HN 0.270 nan 8.250 nan 0.000 0.465 466 T N -1.755 112.734 114.554 -0.109 0.000 3.364 466 T HA 0.111 4.455 4.350 -0.009 0.000 0.179 466 T C 1.675 176.337 174.700 -0.064 0.000 0.939 466 T CA -0.437 61.617 62.100 -0.077 0.000 1.094 466 T CB -0.372 68.445 68.868 -0.085 0.000 1.532 466 T HN -0.216 nan 8.240 nan 0.000 0.346 467 I N 1.395 121.872 120.570 -0.156 0.000 2.143 467 I HA -0.092 4.072 4.170 -0.009 0.000 0.245 467 I C 1.635 177.749 176.117 -0.005 0.000 1.068 467 I CA 1.907 63.072 61.300 -0.226 0.000 1.326 467 I CB -1.293 36.339 38.000 -0.613 0.000 1.028 467 I HN 0.393 nan 8.210 nan 0.000 0.412 468 F N -0.052 119.956 119.950 0.095 0.000 2.735 468 F HA 0.184 4.705 4.527 -0.009 0.000 0.304 468 F C 1.893 177.766 175.800 0.121 0.000 1.119 468 F CA -0.489 57.638 58.000 0.211 0.000 1.280 468 F CB 0.116 39.230 39.000 0.190 0.000 0.994 468 F HN -0.058 nan 8.300 nan 0.000 0.520 469 K N 1.077 121.586 120.400 0.182 0.000 2.059 469 K HA -0.227 4.088 4.320 -0.009 0.000 0.212 469 K C 1.325 177.974 176.600 0.081 0.000 1.050 469 K CA 2.258 58.597 56.287 0.086 0.000 0.927 469 K CB -0.004 32.513 32.500 0.029 0.000 0.714 469 K HN 0.170 nan 8.250 nan 0.000 0.447 470 D N -0.186 120.233 120.400 0.032 0.000 2.117 470 D HA -0.161 4.474 4.640 -0.009 0.000 0.197 470 D C 1.818 178.013 176.300 -0.175 0.000 0.987 470 D CA 1.247 55.133 54.000 -0.190 0.000 0.829 470 D CB -0.295 40.282 40.800 -0.371 0.000 0.961 470 D HN 0.249 nan 8.370 nan 0.000 0.460 471 F N -0.153 119.869 119.950 0.120 0.000 2.206 471 F HA -0.135 4.386 4.527 -0.009 0.000 0.298 471 F C 2.335 178.297 175.800 0.270 0.000 1.090 471 F CA 0.472 58.624 58.000 0.254 0.000 1.323 471 F CB -0.666 38.542 39.000 0.347 0.000 1.028 471 F HN -0.037 nan 8.300 nan 0.000 0.492 472 Y N 1.333 121.616 120.300 -0.027 0.000 2.224 472 Y HA -0.184 4.361 4.550 -0.009 0.000 0.289 472 Y C 2.125 178.030 175.900 0.008 0.000 1.146 472 Y CA 1.550 59.464 58.100 -0.310 0.000 1.182 472 Y CB -0.637 37.455 38.460 -0.613 0.000 0.983 472 Y HN 0.136 nan 8.280 nan 0.000 0.524 473 E N -0.475 119.679 120.200 -0.077 0.000 2.106 473 E HA -0.192 4.153 4.350 -0.009 0.000 0.192 473 E C 2.003 178.668 176.600 0.108 0.000 0.984 473 E CA 1.190 57.551 56.400 -0.065 0.000 0.806 473 E CB -0.268 29.424 29.700 -0.013 0.000 0.750 473 E HN 0.425 nan 8.360 nan 0.000 0.458 474 L N 0.970 122.307 121.223 0.190 0.000 2.072 474 L HA -0.054 4.280 4.340 -0.009 0.000 0.205 474 L C 0.243 177.217 176.870 0.174 0.000 1.079 474 L CA 1.709 56.695 54.840 0.244 0.000 0.752 474 L CB 0.343 42.546 42.059 0.241 0.000 0.906 474 L HN -0.096 nan 8.230 nan 0.000 0.436 475 E N 0.065 120.373 120.200 0.180 0.000 3.386 475 E HA 0.181 4.525 4.350 -0.009 0.000 0.236 475 E C -1.992 174.596 176.600 -0.020 0.000 1.227 475 E CA -1.241 55.184 56.400 0.042 0.000 0.970 475 E CB 0.765 30.464 29.700 -0.002 0.000 1.343 475 E HN 0.216 nan 8.360 nan 0.000 0.397 476 P HA -0.259 nan 4.420 nan 0.000 0.218 476 P C 1.211 178.644 177.300 0.221 0.000 1.148 476 P CA 1.459 64.530 63.100 -0.047 0.000 0.822 476 P CB -0.030 31.499 31.700 -0.286 0.000 0.784 477 H N 0.331 119.515 119.070 0.190 0.000 2.456 477 H HA 0.039 4.589 4.556 -0.009 0.000 0.296 477 H C 1.541 176.955 175.328 0.144 0.000 1.079 477 H CA 0.871 57.013 56.048 0.156 0.000 1.322 477 H CB -0.793 29.030 29.762 0.102 0.000 1.388 477 H HN 0.168 nan 8.280 nan 0.000 0.538 478 K N 0.389 120.645 120.400 -0.241 0.000 2.148 478 K HA 0.006 4.320 4.320 -0.009 0.000 0.204 478 K C -0.021 176.392 176.600 -0.311 0.000 1.050 478 K CA 0.377 56.498 56.287 -0.277 0.000 0.942 478 K CB -0.003 32.197 32.500 -0.500 0.000 0.724 478 K HN 0.110 nan 8.250 nan 0.000 0.446 479 F N 1.914 121.894 119.950 0.050 0.000 2.438 479 F HA 0.129 4.650 4.527 -0.009 0.000 0.356 479 F C 0.585 176.388 175.800 0.004 0.000 1.099 479 F CA 0.023 58.052 58.000 0.048 0.000 1.185 479 F CB 0.726 39.802 39.000 0.127 0.000 1.115 479 F HN -0.061 nan 8.300 nan 0.000 0.526 480 Q N 1.728 121.555 119.800 0.046 0.000 2.683 480 Q HA 0.381 4.715 4.340 -0.009 0.000 0.302 480 Q C -1.174 174.783 176.000 -0.070 0.000 1.042 480 Q CA -1.293 54.492 55.803 -0.030 0.000 0.773 480 Q CB 3.064 31.732 28.738 -0.117 0.000 1.508 480 Q HN 0.646 nan 8.270 nan 0.000 0.459 481 N N 0.487 119.125 118.700 -0.104 0.000 2.238 481 N HA 0.305 5.039 4.740 -0.009 0.000 0.302 481 N C -1.551 173.856 175.510 -0.172 0.000 1.072 481 N CA -0.417 52.568 53.050 -0.108 0.000 0.792 481 N CB 1.225 39.671 38.487 -0.068 0.000 1.425 481 N HN 0.289 nan 8.380 nan 0.000 0.478 482 K N 2.634 122.936 120.400 -0.163 0.000 2.803 482 K HA 0.173 4.487 4.320 -0.009 0.000 0.229 482 K C -1.027 175.573 176.600 0.001 0.000 1.084 482 K CA -0.457 55.703 56.287 -0.212 0.000 1.063 482 K CB 1.099 33.238 32.500 -0.602 0.000 1.254 482 K HN 0.568 nan 8.250 nan 0.000 0.551 483 T N 1.913 116.489 114.554 0.036 0.000 2.908 483 T HA 0.038 4.383 4.350 -0.009 0.000 0.301 483 T C 0.833 175.659 174.700 0.211 0.000 1.019 483 T CA 0.432 62.607 62.100 0.125 0.000 1.152 483 T CB 0.296 69.242 68.868 0.131 0.000 0.966 483 T HN 0.344 nan 8.240 nan 0.000 0.540 484 N N 0.547 119.395 118.700 0.246 0.000 2.267 484 N HA 0.406 5.140 4.740 -0.009 0.000 0.226 484 N C 0.492 176.192 175.510 0.317 0.000 1.314 484 N CA -0.137 53.096 53.050 0.305 0.000 0.887 484 N CB 0.370 38.978 38.487 0.202 0.000 1.120 484 N HN 0.769 nan 8.380 nan 0.000 0.440 485 G N -0.729 108.269 108.800 0.330 0.000 2.645 485 G HA2 0.588 4.542 3.960 -0.009 0.000 0.292 485 G HA3 0.588 4.542 3.960 -0.009 0.000 0.292 485 G C -1.437 173.606 174.900 0.238 0.000 1.415 485 G CA -0.728 44.549 45.100 0.296 0.000 0.785 485 G HN 0.596 nan 8.290 nan 0.000 0.483 486 I N -2.387 118.306 120.570 0.205 0.000 2.934 486 I HA 0.758 4.923 4.170 -0.009 0.000 0.306 486 I C -0.372 175.910 176.117 0.275 0.000 1.110 486 I CA -0.936 60.481 61.300 0.195 0.000 1.019 486 I CB 2.425 40.431 38.000 0.010 0.000 1.227 486 I HN 0.508 nan 8.210 nan 0.000 0.434 487 T N 4.248 119.023 114.554 0.368 0.000 2.761 487 T HA 0.356 4.701 4.350 -0.009 0.000 0.296 487 T C -1.393 173.428 174.700 0.200 0.000 0.934 487 T CA -1.650 60.583 62.100 0.222 0.000 1.091 487 T CB 0.755 69.698 68.868 0.125 0.000 0.896 487 T HN 0.635 nan 8.240 nan 0.000 0.515 488 P HA 0.039 nan 4.420 nan 0.000 0.237 488 P C 1.014 178.280 177.300 -0.057 0.000 1.178 488 P CA 0.299 63.436 63.100 0.062 0.000 0.766 488 P CB 0.394 32.117 31.700 0.038 0.000 0.876 489 R N 0.428 120.848 120.500 -0.132 0.000 2.051 489 R HA 0.043 4.378 4.340 -0.009 0.000 0.225 489 R C 2.713 178.887 176.300 -0.210 0.000 1.155 489 R CA 1.443 57.418 56.100 -0.208 0.000 0.945 489 R CB -1.134 29.044 30.300 -0.203 0.000 0.840 489 R HN 0.034 nan 8.270 nan 0.000 0.432 490 R N -0.815 119.501 120.500 -0.307 0.000 2.092 490 R HA -0.103 4.232 4.340 -0.009 0.000 0.231 490 R C 0.934 176.852 176.300 -0.637 0.000 1.119 490 R CA 1.481 57.243 56.100 -0.564 0.000 0.970 490 R CB -0.135 29.648 30.300 -0.862 0.000 0.864 490 R HN 0.281 nan 8.270 nan 0.000 0.440 491 W N -0.026 121.230 121.300 -0.073 0.000 3.405 491 W HA 0.160 4.814 4.660 -0.010 0.000 0.300 491 W C 0.860 177.348 176.519 -0.052 0.000 1.286 491 W CA -0.656 56.645 57.345 -0.073 0.000 1.762 491 W CB 0.408 29.828 29.460 -0.065 0.000 1.087 491 W HN 0.229 nan 8.180 nan 0.000 0.703 492 L N -2.529 118.740 121.223 0.077 0.000 2.604 492 L HA 0.161 4.495 4.340 -0.009 0.000 0.150 492 L C 1.756 178.639 176.870 0.022 0.000 1.292 492 L CA 0.655 55.542 54.840 0.078 0.000 0.977 492 L CB -0.859 41.273 42.059 0.122 0.000 1.943 492 L HN -0.268 nan 8.230 nan 0.000 0.508 493 V N 1.337 121.242 119.914 -0.015 0.000 2.252 493 V HA -0.302 3.812 4.120 -0.009 0.000 0.249 493 V C 2.436 178.500 176.094 -0.050 0.000 1.056 493 V CA 2.627 64.908 62.300 -0.033 0.000 1.022 493 V CB -0.745 31.026 31.823 -0.087 0.000 0.641 493 V HN 0.533 nan 8.190 nan 0.000 0.445 494 L N 0.443 121.605 121.223 -0.101 0.000 2.027 494 L HA -0.191 4.143 4.340 -0.009 0.000 0.206 494 L C 2.453 179.256 176.870 -0.111 0.000 1.074 494 L CA 2.440 57.206 54.840 -0.124 0.000 0.745 494 L CB -0.260 41.676 42.059 -0.204 0.000 0.898 494 L HN 0.675 nan 8.230 nan 0.000 0.433 495 C N -1.957 117.271 119.300 -0.120 0.000 2.563 495 C HA 0.219 4.673 4.460 -0.009 0.000 0.268 495 C C 1.198 176.170 174.990 -0.030 0.000 1.365 495 C CA -0.358 58.609 59.018 -0.085 0.000 1.754 495 C CB -1.011 26.676 27.740 -0.089 0.000 1.932 495 C HN 0.580 nan 8.230 nan 0.000 0.536 496 N N 1.327 120.021 118.700 -0.010 0.000 2.733 496 N HA 0.271 5.005 4.740 -0.009 0.000 0.271 496 N C -1.648 173.872 175.510 0.018 0.000 1.720 496 N CA -1.625 51.431 53.050 0.010 0.000 0.803 496 N CB 0.782 39.284 38.487 0.025 0.000 1.208 496 N HN 0.252 nan 8.380 nan 0.000 0.498 497 P HA -0.078 nan 4.420 nan 0.000 0.216 497 P C 1.396 178.711 177.300 0.026 0.000 1.150 497 P CA 1.035 64.145 63.100 0.017 0.000 0.837 497 P CB 0.211 31.915 31.700 0.006 0.000 0.786 498 G N 0.490 109.301 108.800 0.017 0.000 2.440 498 G HA2 -0.247 3.707 3.960 -0.009 0.000 0.218 498 G HA3 -0.247 3.707 3.960 -0.009 0.000 0.218 498 G C 1.550 176.459 174.900 0.015 0.000 1.154 498 G CA 0.712 45.820 45.100 0.013 0.000 0.767 498 G HN 0.264 nan 8.290 nan 0.000 0.552 499 L N 1.140 122.374 121.223 0.019 0.000 2.072 499 L HA 0.315 4.649 4.340 -0.009 0.000 0.205 499 L C 3.026 179.929 176.870 0.054 0.000 1.079 499 L CA 1.949 56.800 54.840 0.017 0.000 0.752 499 L CB -0.687 41.383 42.059 0.018 0.000 0.906 499 L HN 0.210 nan 8.230 nan 0.000 0.436 500 A N -0.768 122.105 122.820 0.090 0.000 1.972 500 A HA -0.236 4.079 4.320 -0.009 0.000 0.219 500 A C 2.226 179.909 177.584 0.165 0.000 1.169 500 A CA 1.752 53.897 52.037 0.179 0.000 0.635 500 A CB -0.619 18.480 19.000 0.164 0.000 0.810 500 A HN 0.540 nan 8.150 nan 0.000 0.446 501 E N 0.770 121.027 120.200 0.095 0.000 2.047 501 E HA -0.150 4.195 4.350 -0.009 0.000 0.191 501 E C 1.862 178.502 176.600 0.066 0.000 0.987 501 E CA 1.564 58.009 56.400 0.075 0.000 0.799 501 E CB -0.510 29.217 29.700 0.044 0.000 0.752 501 E HN 0.732 nan 8.360 nan 0.000 0.449 502 I N -1.716 118.888 120.570 0.057 0.000 2.493 502 I HA -0.124 4.041 4.170 -0.009 0.000 0.254 502 I C 2.084 178.275 176.117 0.123 0.000 1.160 502 I CA 1.072 62.419 61.300 0.077 0.000 1.445 502 I CB -0.340 37.689 38.000 0.049 0.000 1.086 502 I HN 0.020 nan 8.210 nan 0.000 0.433 503 I N 1.926 122.546 120.570 0.083 0.000 2.233 503 I HA -0.143 4.021 4.170 -0.009 0.000 0.243 503 I C 3.036 179.107 176.117 -0.076 0.000 1.093 503 I CA 1.189 62.472 61.300 -0.029 0.000 1.380 503 I CB -0.456 37.416 38.000 -0.213 0.000 1.067 503 I HN 0.273 nan 8.210 nan 0.000 0.413 504 A N 0.615 123.478 122.820 0.071 0.000 1.940 504 A HA -0.238 4.076 4.320 -0.009 0.000 0.219 504 A C 2.154 179.768 177.584 0.050 0.000 1.176 504 A CA 1.693 53.823 52.037 0.155 0.000 0.631 504 A CB -0.638 18.483 19.000 0.202 0.000 0.814 504 A HN 0.445 nan 8.150 nan 0.000 0.446 505 E N -0.734 119.477 120.200 0.019 0.000 2.160 505 E HA -0.208 4.136 4.350 -0.009 0.000 0.195 505 E C 2.216 178.776 176.600 -0.066 0.000 0.991 505 E CA 1.141 57.535 56.400 -0.010 0.000 0.810 505 E CB -0.073 29.626 29.700 -0.002 0.000 0.742 505 E HN 0.501 nan 8.360 nan 0.000 0.466 506 R N 0.113 120.517 120.500 -0.159 0.000 2.087 506 R HA 0.091 4.426 4.340 -0.009 0.000 0.216 506 R C 2.325 178.539 176.300 -0.142 0.000 1.114 506 R CA 0.863 56.786 56.100 -0.296 0.000 1.002 506 R CB -0.118 29.690 30.300 -0.820 0.000 0.903 506 R HN 0.306 nan 8.270 nan 0.000 0.445 507 I N -2.871 117.635 120.570 -0.106 0.000 4.081 507 I HA 0.435 4.599 4.170 -0.009 0.000 0.333 507 I C 0.420 176.577 176.117 0.066 0.000 1.413 507 I CA 0.029 61.324 61.300 -0.008 0.000 1.110 507 I CB 0.824 38.808 38.000 -0.028 0.000 1.082 507 I HN 0.177 nan 8.210 nan 0.000 0.402 508 G N 2.226 111.076 108.800 0.083 0.000 2.660 508 G HA2 -0.199 3.755 3.960 -0.009 0.000 0.247 508 G HA3 -0.199 3.755 3.960 -0.009 0.000 0.247 508 G C -0.098 174.939 174.900 0.230 0.000 1.328 508 G CA 0.108 45.281 45.100 0.122 0.000 0.884 508 G HN 0.445 nan 8.290 nan 0.000 0.531 509 E N -0.091 120.197 120.200 0.147 0.000 2.498 509 E HA 0.160 4.504 4.350 -0.009 0.000 0.203 509 E C 1.762 178.330 176.600 -0.053 0.000 1.013 509 E CA 0.415 56.849 56.400 0.056 0.000 0.927 509 E CB 0.384 30.100 29.700 0.027 0.000 1.012 509 E HN 0.518 nan 8.360 nan 0.000 0.482 510 E N 0.482 120.716 120.200 0.056 0.000 2.209 510 E HA -0.216 4.128 4.350 -0.009 0.000 0.196 510 E C 1.591 178.194 176.600 0.004 0.000 0.993 510 E CA 1.056 57.477 56.400 0.035 0.000 0.819 510 E CB -0.441 29.300 29.700 0.068 0.000 0.745 510 E HN 0.541 nan 8.360 nan 0.000 0.477 511 Y N -0.645 119.663 120.300 0.013 0.000 2.333 511 Y HA -0.068 4.477 4.550 -0.007 0.000 0.290 511 Y C 1.737 177.617 175.900 -0.032 0.000 1.144 511 Y CA 0.671 58.770 58.100 -0.002 0.000 1.228 511 Y CB -0.665 37.798 38.460 0.004 0.000 0.985 511 Y HN -0.030 nan 8.280 nan 0.000 0.542 512 I N 1.006 121.061 120.570 -0.858 0.000 2.399 512 I HA -0.260 3.904 4.170 -0.009 0.000 0.254 512 I C 1.643 177.499 176.117 -0.436 0.000 1.146 512 I CA 1.920 62.783 61.300 -0.728 0.000 1.412 512 I CB -0.425 37.075 38.000 -0.834 0.000 1.076 512 I HN 0.515 nan 8.210 nan 0.000 0.432 513 S N -2.228 113.331 115.700 -0.235 0.000 2.749 513 S HA 0.172 4.637 4.470 -0.009 0.000 0.246 513 S C 0.158 174.743 174.600 -0.025 0.000 1.023 513 S CA -0.503 57.637 58.200 -0.100 0.000 1.012 513 S CB 0.398 63.617 63.200 0.031 0.000 0.942 513 S HN 0.296 nan 8.310 nan 0.000 0.531 514 D N 0.703 121.096 120.400 -0.012 0.000 3.118 514 D HA 0.212 4.846 4.640 -0.009 0.000 0.259 514 D C 0.465 176.808 176.300 0.072 0.000 1.292 514 D CA -0.369 53.649 54.000 0.030 0.000 0.784 514 D CB 0.280 41.103 40.800 0.038 0.000 1.413 514 D HN 0.106 nan 8.370 nan 0.000 0.583 515 L N 1.027 122.293 121.223 0.072 0.000 2.263 515 L HA -0.090 4.245 4.340 -0.009 0.000 0.216 515 L C 1.499 178.424 176.870 0.092 0.000 1.111 515 L CA 1.681 56.595 54.840 0.123 0.000 0.773 515 L CB -0.108 42.012 42.059 0.103 0.000 0.906 515 L HN 0.281 nan 8.230 nan 0.000 0.439 516 D N -0.859 119.570 120.400 0.048 0.000 2.221 516 D HA -0.229 4.406 4.640 -0.009 0.000 0.204 516 D C 1.927 178.249 176.300 0.036 0.000 0.982 516 D CA 0.936 54.949 54.000 0.021 0.000 0.857 516 D CB 0.024 40.824 40.800 -0.000 0.000 0.934 516 D HN 0.564 nan 8.370 nan 0.000 0.475 517 Q N 0.042 119.882 119.800 0.066 0.000 2.368 517 Q HA -0.078 4.256 4.340 -0.009 0.000 0.210 517 Q C 2.258 178.279 176.000 0.034 0.000 0.982 517 Q CA 0.252 56.094 55.803 0.066 0.000 0.884 517 Q CB -0.034 28.772 28.738 0.113 0.000 0.933 517 Q HN 0.398 nan 8.270 nan 0.000 0.460 518 L N 0.183 121.421 121.223 0.026 0.000 2.353 518 L HA -0.185 4.149 4.340 -0.009 0.000 0.220 518 L C 2.289 179.157 176.870 -0.002 0.000 1.133 518 L CA 0.591 55.413 54.840 -0.030 0.000 0.798 518 L CB -0.373 41.681 42.059 -0.008 0.000 0.922 518 L HN 0.206 nan 8.230 nan 0.000 0.445 519 R N 0.752 121.259 120.500 0.012 0.000 2.117 519 R HA -0.179 4.156 4.340 -0.009 0.000 0.243 519 R C 2.012 178.317 176.300 0.010 0.000 1.143 519 R CA 1.191 57.298 56.100 0.011 0.000 0.968 519 R CB -0.426 29.877 30.300 0.004 0.000 0.863 519 R HN 0.430 nan 8.270 nan 0.000 0.444 520 K N 0.671 121.077 120.400 0.010 0.000 2.362 520 K HA -0.096 4.218 4.320 -0.009 0.000 0.202 520 K C 1.966 178.602 176.600 0.061 0.000 1.045 520 K CA 0.752 57.050 56.287 0.019 0.000 0.936 520 K CB -0.151 32.368 32.500 0.032 0.000 0.747 520 K HN 0.204 nan 8.250 nan 0.000 0.467 521 L N 0.627 121.881 121.223 0.051 0.000 2.376 521 L HA -0.094 4.240 4.340 -0.009 0.000 0.219 521 L C 1.961 178.899 176.870 0.114 0.000 1.133 521 L CA 0.393 55.286 54.840 0.089 0.000 0.816 521 L CB -0.250 41.832 42.059 0.039 0.000 0.933 521 L HN 0.198 nan 8.230 nan 0.000 0.449 522 L N -0.290 120.964 121.223 0.051 0.000 2.131 522 L HA -0.184 4.150 4.340 -0.009 0.000 0.210 522 L C 2.537 179.393 176.870 -0.024 0.000 1.092 522 L CA 1.455 56.312 54.840 0.029 0.000 0.759 522 L CB -0.464 41.598 42.059 0.005 0.000 0.903 522 L HN 0.389 nan 8.230 nan 0.000 0.435 523 S N -1.928 113.699 115.700 -0.122 0.000 2.660 523 S HA -0.085 4.380 4.470 -0.009 0.000 0.228 523 S C 0.972 175.305 174.600 -0.445 0.000 0.966 523 S CA 0.323 58.352 58.200 -0.285 0.000 0.940 523 S CB -0.352 62.615 63.200 -0.387 0.000 0.773 523 S HN 0.433 nan 8.310 nan 0.000 0.535 524 Y N -0.690 119.549 120.300 -0.102 0.000 2.500 524 Y HA 0.422 4.970 4.550 -0.004 0.000 0.246 524 Y C 1.877 177.817 175.900 0.066 0.000 1.146 524 Y CA -0.695 57.340 58.100 -0.109 0.000 1.230 524 Y CB 0.163 38.352 38.460 -0.453 0.000 1.214 524 Y HN 0.253 nan 8.280 nan 0.000 0.526 525 V N 0.441 120.455 119.914 0.166 0.000 2.720 525 V HA -0.221 3.893 4.120 -0.009 0.000 0.256 525 V C 0.982 177.152 176.094 0.127 0.000 1.082 525 V CA 2.324 64.721 62.300 0.161 0.000 1.101 525 V CB -0.001 31.875 31.823 0.089 0.000 0.693 525 V HN 0.336 nan 8.190 nan 0.000 0.479 526 D N -0.852 119.603 120.400 0.092 0.000 2.398 526 D HA 0.105 4.740 4.640 -0.009 0.000 0.210 526 D C 0.420 176.775 176.300 0.091 0.000 1.094 526 D CA -0.010 54.032 54.000 0.070 0.000 0.839 526 D CB 0.079 40.897 40.800 0.029 0.000 0.963 526 D HN 0.436 nan 8.370 nan 0.000 0.506 527 D N 1.561 122.051 120.400 0.150 0.000 2.338 527 D HA -0.041 4.594 4.640 -0.009 0.000 0.255 527 D C 1.242 177.650 176.300 0.180 0.000 1.237 527 D CA 0.050 54.159 54.000 0.182 0.000 0.883 527 D CB 1.482 42.465 40.800 0.305 0.000 1.087 527 D HN -0.195 nan 8.370 nan 0.000 0.485 528 E N 3.550 123.820 120.200 0.117 0.000 2.118 528 E HA -0.172 4.172 4.350 -0.009 0.000 0.195 528 E C 1.694 178.350 176.600 0.094 0.000 0.992 528 E CA 1.579 58.031 56.400 0.088 0.000 0.804 528 E CB -0.090 29.644 29.700 0.058 0.000 0.741 528 E HN 0.583 nan 8.360 nan 0.000 0.458 529 A N -0.136 122.754 122.820 0.115 0.000 1.858 529 A HA -0.157 4.158 4.320 -0.009 0.000 0.216 529 A C 2.295 179.962 177.584 0.140 0.000 1.190 529 A CA 1.455 53.556 52.037 0.107 0.000 0.617 529 A CB -1.159 17.905 19.000 0.107 0.000 0.827 529 A HN 0.448 nan 8.150 nan 0.000 0.443 530 F N 0.517 120.475 119.950 0.013 0.000 2.091 530 F HA -0.228 4.294 4.527 -0.008 0.000 0.299 530 F C 2.135 177.936 175.800 0.003 0.000 1.103 530 F CA 1.837 59.829 58.000 -0.014 0.000 1.228 530 F CB -0.144 38.853 39.000 -0.004 0.000 0.984 530 F HN 0.182 nan 8.300 nan 0.000 0.477 531 I N 0.083 120.690 120.570 0.062 0.000 2.194 531 I HA -0.374 3.791 4.170 -0.009 0.000 0.246 531 I C 2.557 178.624 176.117 -0.083 0.000 1.093 531 I CA 1.764 63.042 61.300 -0.036 0.000 1.355 531 I CB -0.544 37.481 38.000 0.042 0.000 1.046 531 I HN 0.139 nan 8.210 nan 0.000 0.413 532 R N 0.849 121.325 120.500 -0.039 0.000 2.092 532 R HA -0.173 4.162 4.340 -0.009 0.000 0.231 532 R C 1.858 178.111 176.300 -0.078 0.000 1.119 532 R CA 1.687 57.761 56.100 -0.043 0.000 0.970 532 R CB -0.078 30.215 30.300 -0.012 0.000 0.864 532 R HN 0.311 nan 8.270 nan 0.000 0.440 533 D N -0.322 120.011 120.400 -0.111 0.000 2.103 533 D HA -0.112 4.522 4.640 -0.009 0.000 0.199 533 D C 1.962 178.140 176.300 -0.204 0.000 0.978 533 D CA 1.257 55.176 54.000 -0.133 0.000 0.829 533 D CB -0.211 40.521 40.800 -0.112 0.000 0.981 533 D HN 0.072 nan 8.370 nan 0.000 0.464 534 V N 1.823 121.519 119.914 -0.363 0.000 2.282 534 V HA -0.284 3.830 4.120 -0.009 0.000 0.249 534 V C 2.589 178.590 176.094 -0.154 0.000 1.057 534 V CA 2.045 64.146 62.300 -0.331 0.000 1.032 534 V CB -0.880 30.677 31.823 -0.443 0.000 0.645 534 V HN 0.185 nan 8.190 nan 0.000 0.447 535 A N -0.627 122.123 122.820 -0.117 0.000 1.933 535 A HA -0.267 4.048 4.320 -0.009 0.000 0.218 535 A C 2.359 179.907 177.584 -0.060 0.000 1.175 535 A CA 2.178 54.179 52.037 -0.060 0.000 0.628 535 A CB -0.489 18.480 19.000 -0.052 0.000 0.814 535 A HN 0.538 nan 8.150 nan 0.000 0.444 536 K N -0.281 120.078 120.400 -0.068 0.000 2.026 536 K HA -0.095 4.220 4.320 -0.009 0.000 0.208 536 K C 1.869 178.443 176.600 -0.044 0.000 1.048 536 K CA 1.596 57.852 56.287 -0.052 0.000 0.929 536 K CB -0.308 32.164 32.500 -0.047 0.000 0.713 536 K HN 0.224 nan 8.250 nan 0.000 0.439 537 V N 1.803 121.685 119.914 -0.053 0.000 2.287 537 V HA -0.281 3.834 4.120 -0.009 0.000 0.248 537 V C 2.397 178.477 176.094 -0.023 0.000 1.053 537 V CA 2.133 64.411 62.300 -0.036 0.000 1.027 537 V CB -0.505 31.290 31.823 -0.047 0.000 0.646 537 V HN 0.371 nan 8.190 nan 0.000 0.447 538 K N 0.373 120.757 120.400 -0.026 0.000 2.026 538 K HA -0.236 4.078 4.320 -0.009 0.000 0.208 538 K C 2.169 178.745 176.600 -0.039 0.000 1.048 538 K CA 1.861 58.139 56.287 -0.015 0.000 0.929 538 K CB -0.557 31.948 32.500 0.009 0.000 0.713 538 K HN 0.381 nan 8.250 nan 0.000 0.439 539 Q N 1.035 120.805 119.800 -0.050 0.000 2.096 539 Q HA -0.134 4.200 4.340 -0.009 0.000 0.204 539 Q C 1.691 177.672 176.000 -0.033 0.000 0.982 539 Q CA 2.053 57.817 55.803 -0.064 0.000 0.850 539 Q CB -0.121 28.582 28.738 -0.058 0.000 0.901 539 Q HN 0.533 nan 8.270 nan 0.000 0.422 540 E N -0.571 119.622 120.200 -0.012 0.000 2.077 540 E HA -0.156 4.189 4.350 -0.009 0.000 0.193 540 E C 1.769 178.392 176.600 0.039 0.000 0.989 540 E CA 0.953 57.361 56.400 0.012 0.000 0.800 540 E CB -0.077 29.628 29.700 0.009 0.000 0.746 540 E HN 0.405 nan 8.360 nan 0.000 0.452 541 N N 1.074 119.794 118.700 0.034 0.000 2.120 541 N HA -0.144 4.590 4.740 -0.009 0.000 0.188 541 N C 1.522 177.112 175.510 0.134 0.000 1.024 541 N CA 1.103 54.195 53.050 0.070 0.000 0.852 541 N CB -0.108 38.405 38.487 0.043 0.000 1.003 541 N HN 0.142 nan 8.380 nan 0.000 0.424 542 K N 0.557 120.999 120.400 0.070 0.000 2.097 542 K HA 0.011 4.325 4.320 -0.009 0.000 0.205 542 K C 2.111 178.835 176.600 0.208 0.000 1.050 542 K CA 0.635 56.983 56.287 0.101 0.000 0.938 542 K CB -0.126 32.164 32.500 -0.350 0.000 0.718 542 K HN 0.123 nan 8.250 nan 0.000 0.442 543 L N 1.036 122.324 121.223 0.109 0.000 2.056 543 L HA -0.163 4.171 4.340 -0.009 0.000 0.207 543 L C 2.631 179.591 176.870 0.151 0.000 1.078 543 L CA 1.048 55.956 54.840 0.113 0.000 0.749 543 L CB -0.341 41.757 42.059 0.065 0.000 0.901 543 L HN 0.100 nan 8.230 nan 0.000 0.433 544 K N 0.009 120.504 120.400 0.158 0.000 2.032 544 K HA -0.223 4.092 4.320 -0.009 0.000 0.209 544 K C 2.186 178.935 176.600 0.249 0.000 1.048 544 K CA 1.789 58.179 56.287 0.171 0.000 0.927 544 K CB -0.384 32.205 32.500 0.149 0.000 0.712 544 K HN 0.113 nan 8.250 nan 0.000 0.441 545 F N 1.244 121.287 119.950 0.154 0.000 2.146 545 F HA -0.085 4.436 4.527 -0.009 0.000 0.298 545 F C 2.107 178.045 175.800 0.230 0.000 1.096 545 F CA 1.287 59.396 58.000 0.182 0.000 1.275 545 F CB -0.484 38.623 39.000 0.178 0.000 1.008 545 F HN 0.060 nan 8.300 nan 0.000 0.480 546 A N 0.169 123.132 122.820 0.240 0.000 1.978 546 A HA -0.075 4.239 4.320 -0.009 0.000 0.220 546 A C 2.386 179.984 177.584 0.023 0.000 1.170 546 A CA 1.803 53.904 52.037 0.106 0.000 0.636 546 A CB -1.441 17.682 19.000 0.205 0.000 0.810 546 A HN 0.468 nan 8.150 nan 0.000 0.448 547 A N -1.344 121.520 122.820 0.072 0.000 1.854 547 A HA -0.032 4.283 4.320 -0.009 0.000 0.214 547 A C 2.113 179.709 177.584 0.020 0.000 1.192 547 A CA 1.497 53.568 52.037 0.057 0.000 0.611 547 A CB -0.937 18.111 19.000 0.080 0.000 0.832 547 A HN 0.753 nan 8.150 nan 0.000 0.442 548 Y N 0.818 121.059 120.300 -0.100 0.000 2.139 548 Y HA -0.244 4.301 4.550 -0.009 0.000 0.282 548 Y C 1.887 177.673 175.900 -0.190 0.000 1.179 548 Y CA 1.978 59.995 58.100 -0.137 0.000 1.161 548 Y CB -0.384 37.998 38.460 -0.129 0.000 0.970 548 Y HN 0.214 nan 8.280 nan 0.000 0.511 549 L N -0.002 121.145 121.223 -0.127 0.000 2.127 549 L HA -0.215 4.120 4.340 -0.009 0.000 0.211 549 L C 2.302 179.120 176.870 -0.088 0.000 1.089 549 L CA 1.753 56.515 54.840 -0.130 0.000 0.757 549 L CB -0.466 41.456 42.059 -0.228 0.000 0.899 549 L HN 0.388 nan 8.230 nan 0.000 0.434 550 E N -0.669 119.484 120.200 -0.079 0.000 2.122 550 E HA -0.103 4.242 4.350 -0.009 0.000 0.190 550 E C 2.168 178.713 176.600 -0.093 0.000 0.977 550 E CA 0.239 56.619 56.400 -0.033 0.000 0.820 550 E CB 0.148 29.862 29.700 0.023 0.000 0.770 550 E HN 0.410 nan 8.360 nan 0.000 0.462 551 R N 1.297 121.697 120.500 -0.167 0.000 2.151 551 R HA -0.126 4.208 4.340 -0.009 0.000 0.220 551 R C 1.664 177.782 176.300 -0.304 0.000 1.120 551 R CA 1.388 57.360 56.100 -0.214 0.000 0.882 551 R CB -0.244 29.917 30.300 -0.232 0.000 0.806 551 R HN 0.068 nan 8.270 nan 0.000 0.440 552 E N -0.769 119.094 120.200 -0.561 0.000 2.365 552 E HA -0.072 4.272 4.350 -0.009 0.000 0.188 552 E C -0.230 175.895 176.600 -0.791 0.000 1.102 552 E CA 0.250 56.248 56.400 -0.671 0.000 0.927 552 E CB 0.384 29.583 29.700 -0.834 0.000 1.073 552 E HN 0.386 nan 8.360 nan 0.000 0.467 553 Y N -1.113 119.068 120.300 -0.198 0.000 2.772 553 Y HA 0.134 4.679 4.550 -0.009 0.000 0.287 553 Y C 0.043 175.911 175.900 -0.053 0.000 0.985 553 Y CA -0.793 57.248 58.100 -0.098 0.000 1.207 553 Y CB 0.809 39.222 38.460 -0.078 0.000 1.425 553 Y HN -0.210 nan 8.280 nan 0.000 0.587 554 K N 0.505 120.945 120.400 0.066 0.000 3.117 554 K HA -0.102 4.212 4.320 -0.009 0.000 0.269 554 K C -0.536 176.103 176.600 0.065 0.000 1.098 554 K CA 0.894 57.213 56.287 0.053 0.000 0.785 554 K CB -2.258 30.276 32.500 0.056 0.000 1.242 554 K HN 0.240 nan 8.250 nan 0.000 0.491 555 V N -1.890 118.059 119.914 0.059 0.000 2.540 555 V HA 0.624 4.738 4.120 -0.009 0.000 0.302 555 V C -0.033 176.101 176.094 0.066 0.000 1.035 555 V CA -1.008 61.324 62.300 0.053 0.000 0.873 555 V CB 2.142 33.977 31.823 0.020 0.000 0.992 555 V HN 0.335 nan 8.190 nan 0.000 0.428 556 H N 5.287 124.354 119.070 -0.005 0.000 2.458 556 H HA 0.839 5.389 4.556 -0.009 0.000 0.330 556 H C -0.417 174.911 175.328 -0.000 0.000 1.111 556 H CA -0.312 55.737 56.048 0.001 0.000 1.245 556 H CB 1.620 31.388 29.762 0.011 0.000 1.456 556 H HN 1.019 nan 8.280 nan 0.000 0.488 557 I N 1.352 121.552 120.570 -0.616 0.000 3.095 557 I HA 0.438 4.602 4.170 -0.009 0.000 0.310 557 I C -1.037 174.838 176.117 -0.404 0.000 1.196 557 I CA -1.411 59.663 61.300 -0.378 0.000 0.985 557 I CB 2.270 40.160 38.000 -0.183 0.000 1.250 557 I HN 0.517 nan 8.210 nan 0.000 0.446 558 N N 3.955 122.579 118.700 -0.127 0.000 2.437 558 N HA 0.419 5.153 4.740 -0.009 0.000 0.243 558 N C -2.089 173.497 175.510 0.127 0.000 1.041 558 N CA -2.324 50.720 53.050 -0.011 0.000 0.940 558 N CB 1.126 39.631 38.487 0.030 0.000 1.133 558 N HN 0.352 nan 8.380 nan 0.000 0.506 559 P HA -0.022 nan 4.420 nan 0.000 0.231 559 P C 0.176 177.439 177.300 -0.062 0.000 1.158 559 P CA 0.809 63.948 63.100 0.066 0.000 0.763 559 P CB 0.279 32.009 31.700 0.050 0.000 0.805 560 N N -1.313 117.389 118.700 0.003 0.000 2.373 560 N HA 0.015 4.750 4.740 -0.009 0.000 0.181 560 N C 0.617 176.147 175.510 0.033 0.000 1.082 560 N CA 0.336 53.384 53.050 -0.003 0.000 0.885 560 N CB 0.008 38.509 38.487 0.023 0.000 0.977 560 N HN 0.220 nan 8.380 nan 0.000 0.462 561 S N 0.431 116.158 115.700 0.046 0.000 2.614 561 S HA 0.267 4.731 4.470 -0.009 0.000 0.265 561 S C 0.294 174.851 174.600 -0.072 0.000 1.303 561 S CA -0.790 57.428 58.200 0.030 0.000 1.000 561 S CB 1.293 64.534 63.200 0.068 0.000 0.935 561 S HN 0.219 nan 8.310 nan 0.000 0.551 562 L N 1.896 122.923 121.223 -0.327 0.000 2.360 562 L HA 0.389 4.723 4.340 -0.009 0.000 0.276 562 L C -0.919 175.906 176.870 -0.075 0.000 1.121 562 L CA -0.612 53.819 54.840 -0.680 0.000 0.845 562 L CB -0.093 41.249 42.059 -1.194 0.000 1.143 562 L HN 0.714 nan 8.230 nan 0.000 0.452 563 F N 4.233 124.031 119.950 -0.253 0.000 2.405 563 F HA 0.108 4.630 4.527 -0.008 0.000 0.358 563 F C 0.381 176.100 175.800 -0.135 0.000 1.151 563 F CA -0.842 57.081 58.000 -0.129 0.000 1.161 563 F CB 0.635 39.608 39.000 -0.044 0.000 1.245 563 F HN 0.530 nan 8.300 nan 0.000 0.545 564 D N 5.024 125.418 120.400 -0.009 0.000 2.396 564 D HA 0.253 4.887 4.640 -0.009 0.000 0.225 564 D C -1.020 175.213 176.300 -0.111 0.000 1.121 564 D CA -0.061 53.889 54.000 -0.083 0.000 0.853 564 D CB 1.349 42.087 40.800 -0.104 0.000 1.043 564 D HN 0.276 nan 8.370 nan 0.000 0.500 565 V N 2.486 122.316 119.914 -0.141 0.000 2.735 565 V HA 0.598 4.713 4.120 -0.009 0.000 0.310 565 V C -1.381 174.558 176.094 -0.258 0.000 1.061 565 V CA -0.700 61.499 62.300 -0.168 0.000 0.913 565 V CB 1.959 33.734 31.823 -0.079 0.000 1.005 565 V HN 0.509 nan 8.190 nan 0.000 0.428 566 Q N 4.114 123.778 119.800 -0.225 0.000 2.490 566 Q HA 0.648 4.983 4.340 -0.009 0.000 0.255 566 Q C -1.487 174.346 176.000 -0.278 0.000 0.997 566 Q CA -0.619 55.039 55.803 -0.241 0.000 0.709 566 Q CB 1.851 30.476 28.738 -0.189 0.000 1.255 566 Q HN 1.162 nan 8.270 nan 0.000 0.486 567 V N 1.898 121.634 119.914 -0.297 0.000 2.444 567 V HA 0.862 4.977 4.120 -0.009 0.000 0.294 567 V C -0.801 175.006 176.094 -0.478 0.000 1.022 567 V CA -0.540 61.393 62.300 -0.612 0.000 0.850 567 V CB 1.216 32.454 31.823 -0.974 0.000 0.992 567 V HN 0.797 nan 8.190 nan 0.000 0.426 568 K N 2.592 122.758 120.400 -0.390 0.000 3.040 568 K HA 0.382 4.697 4.320 -0.009 0.000 0.300 568 K C -1.295 175.300 176.600 -0.009 0.000 1.092 568 K CA -1.116 55.127 56.287 -0.074 0.000 0.831 568 K CB 0.916 33.366 32.500 -0.084 0.000 1.469 568 K HN 0.462 nan 8.250 nan 0.000 0.365 569 R N 0.854 121.400 120.500 0.076 0.000 2.698 569 R HA 0.164 4.499 4.340 -0.009 0.000 0.266 569 R C 0.369 176.690 176.300 0.036 0.000 1.026 569 R CA -0.282 55.877 56.100 0.099 0.000 1.102 569 R CB -0.163 30.224 30.300 0.144 0.000 0.978 569 R HN 0.461 nan 8.270 nan 0.000 0.436 570 I N 3.475 124.078 120.570 0.055 0.000 2.436 570 I HA 0.132 4.297 4.170 -0.009 0.000 0.289 570 I C 0.518 176.625 176.117 -0.018 0.000 1.083 570 I CA 0.361 61.650 61.300 -0.018 0.000 1.372 570 I CB -0.350 37.626 38.000 -0.040 0.000 1.408 570 I HN 0.526 nan 8.210 nan 0.000 0.516 571 H N 3.494 122.466 119.070 -0.164 0.000 3.046 571 H HA 0.233 4.783 4.556 -0.009 0.000 0.363 571 H C 0.541 175.756 175.328 -0.188 0.000 1.203 571 H CA -0.490 55.509 56.048 -0.082 0.000 1.169 571 H CB 1.954 31.676 29.762 -0.066 0.000 1.851 571 H HN 0.577 nan 8.280 nan 0.000 0.546 572 E N 1.786 122.180 120.200 0.323 0.000 2.153 572 E HA -0.254 4.091 4.350 -0.009 0.000 0.194 572 E C 1.175 177.593 176.600 -0.303 0.000 0.988 572 E CA 1.533 58.015 56.400 0.136 0.000 0.811 572 E CB -0.009 29.952 29.700 0.435 0.000 0.746 572 E HN 0.615 nan 8.360 nan 0.000 0.466 573 Y N 0.873 120.691 120.300 -0.803 0.000 2.373 573 Y HA 0.026 4.570 4.550 -0.009 0.000 0.293 573 Y C 1.497 177.087 175.900 -0.516 0.000 1.129 573 Y CA 0.734 58.075 58.100 -1.266 0.000 1.226 573 Y CB -0.083 37.596 38.460 -1.302 0.000 1.000 573 Y HN -0.219 nan 8.280 nan 0.000 0.549 574 K N 0.828 120.747 120.400 -0.803 0.000 2.432 574 K HA 0.067 4.381 4.320 -0.009 0.000 0.196 574 K C 0.096 176.520 176.600 -0.292 0.000 1.038 574 K CA 0.441 56.384 56.287 -0.573 0.000 0.986 574 K CB -0.058 32.092 32.500 -0.584 0.000 0.782 574 K HN 0.253 nan 8.250 nan 0.000 0.485 575 R N 0.565 120.926 120.500 -0.232 0.000 3.264 575 R HA -0.237 4.097 4.340 -0.009 0.000 0.251 575 R C 0.238 176.463 176.300 -0.125 0.000 0.971 575 R CA 0.182 56.201 56.100 -0.135 0.000 0.658 575 R CB -1.777 28.459 30.300 -0.107 0.000 1.095 575 R HN 0.296 nan 8.270 nan 0.000 0.443 576 Q N 0.321 120.047 119.800 -0.124 0.000 2.226 576 Q HA -0.036 4.298 4.340 -0.009 0.000 0.204 576 Q C 2.016 177.971 176.000 -0.076 0.000 0.975 576 Q CA 1.313 57.055 55.803 -0.102 0.000 0.866 576 Q CB 0.048 28.730 28.738 -0.094 0.000 0.915 576 Q HN 0.587 nan 8.270 nan 0.000 0.440 577 L N -0.603 120.580 121.223 -0.067 0.000 2.131 577 L HA -0.175 4.160 4.340 -0.009 0.000 0.210 577 L C 1.986 178.861 176.870 0.008 0.000 1.092 577 L CA 0.517 55.332 54.840 -0.042 0.000 0.759 577 L CB -0.333 41.712 42.059 -0.025 0.000 0.903 577 L HN 0.308 nan 8.230 nan 0.000 0.435 578 L N 0.003 121.223 121.223 -0.005 0.000 2.056 578 L HA -0.228 4.106 4.340 -0.009 0.000 0.207 578 L C 2.029 178.955 176.870 0.094 0.000 1.078 578 L CA 1.892 56.744 54.840 0.020 0.000 0.749 578 L CB -0.793 41.167 42.059 -0.164 0.000 0.901 578 L HN 0.279 nan 8.230 nan 0.000 0.433 579 N N -1.667 117.053 118.700 0.033 0.000 2.120 579 N HA -0.235 4.499 4.740 -0.009 0.000 0.188 579 N C 1.940 177.531 175.510 0.135 0.000 1.024 579 N CA 1.598 54.743 53.050 0.157 0.000 0.852 579 N CB -0.138 38.371 38.487 0.038 0.000 1.003 579 N HN 0.495 nan 8.380 nan 0.000 0.424 580 C N 0.587 119.903 119.300 0.027 0.000 2.413 580 C HA -0.079 4.376 4.460 -0.009 0.000 0.276 580 C C 2.603 177.588 174.990 -0.008 0.000 1.248 580 C CA 0.384 59.371 59.018 -0.051 0.000 1.742 580 C CB -1.261 26.397 27.740 -0.136 0.000 2.017 580 C HN 0.509 nan 8.230 nan 0.000 0.481 581 L N -0.316 120.965 121.223 0.095 0.000 2.042 581 L HA -0.219 4.116 4.340 -0.009 0.000 0.210 581 L C 2.750 179.773 176.870 0.255 0.000 1.076 581 L CA 1.921 56.869 54.840 0.179 0.000 0.749 581 L CB -1.079 41.165 42.059 0.308 0.000 0.893 581 L HN 0.600 nan 8.230 nan 0.000 0.432 582 H N -0.013 119.164 119.070 0.178 0.000 2.321 582 H HA -0.147 4.404 4.556 -0.009 0.000 0.300 582 H C 2.269 177.586 175.328 -0.020 0.000 1.087 582 H CA 2.021 58.086 56.048 0.029 0.000 1.319 582 H CB 0.254 29.961 29.762 -0.092 0.000 1.379 582 H HN 0.085 nan 8.280 nan 0.000 0.501 583 V N 1.712 121.519 119.914 -0.178 0.000 2.282 583 V HA -0.298 3.817 4.120 -0.009 0.000 0.249 583 V C 2.850 178.861 176.094 -0.138 0.000 1.057 583 V CA 2.045 64.207 62.300 -0.231 0.000 1.032 583 V CB -0.550 31.192 31.823 -0.135 0.000 0.645 583 V HN 0.419 nan 8.190 nan 0.000 0.447 584 I N -0.331 120.199 120.570 -0.067 0.000 2.394 584 I HA -0.207 3.958 4.170 -0.009 0.000 0.251 584 I C 2.459 178.625 176.117 0.082 0.000 1.136 584 I CA 1.605 62.934 61.300 0.049 0.000 1.425 584 I CB -0.602 37.406 38.000 0.014 0.000 1.079 584 I HN 0.340 nan 8.210 nan 0.000 0.425 585 T N 1.119 115.678 114.554 0.009 0.000 2.737 585 T HA -0.123 4.221 4.350 -0.009 0.000 0.265 585 T C 1.878 176.533 174.700 -0.075 0.000 1.038 585 T CA 1.094 63.196 62.100 0.003 0.000 1.144 585 T CB -0.202 68.695 68.868 0.048 0.000 0.866 585 T HN 0.077 nan 8.240 nan 0.000 0.434 586 L N 0.225 121.333 121.223 -0.193 0.000 2.042 586 L HA -0.039 4.296 4.340 -0.009 0.000 0.210 586 L C 2.078 178.905 176.870 -0.072 0.000 1.076 586 L CA 1.608 56.331 54.840 -0.195 0.000 0.749 586 L CB -0.980 40.889 42.059 -0.317 0.000 0.893 586 L HN 0.370 nan 8.230 nan 0.000 0.432 587 Y N 0.123 120.353 120.300 -0.116 0.000 2.145 587 Y HA -0.280 4.264 4.550 -0.009 0.000 0.286 587 Y C 2.454 178.330 175.900 -0.040 0.000 1.145 587 Y CA 1.805 59.876 58.100 -0.048 0.000 1.148 587 Y CB -0.086 38.388 38.460 0.025 0.000 0.981 587 Y HN 0.268 nan 8.280 nan 0.000 0.507 588 N N 0.490 119.129 118.700 -0.102 0.000 2.166 588 N HA -0.150 4.585 4.740 -0.009 0.000 0.186 588 N C 1.818 177.211 175.510 -0.195 0.000 1.019 588 N CA 1.481 54.412 53.050 -0.199 0.000 0.856 588 N CB -0.354 38.080 38.487 -0.089 0.000 0.993 588 N HN 0.449 nan 8.380 nan 0.000 0.426 589 R N 0.379 120.794 120.500 -0.143 0.000 2.092 589 R HA 0.075 4.409 4.340 -0.009 0.000 0.231 589 R C 2.231 178.446 176.300 -0.143 0.000 1.119 589 R CA 0.725 56.751 56.100 -0.123 0.000 0.970 589 R CB -0.214 30.025 30.300 -0.101 0.000 0.864 589 R HN 0.242 nan 8.270 nan 0.000 0.440 590 I N 0.948 121.412 120.570 -0.176 0.000 2.202 590 I HA -0.264 3.901 4.170 -0.009 0.000 0.242 590 I C 2.056 178.059 176.117 -0.190 0.000 1.091 590 I CA 1.184 62.383 61.300 -0.168 0.000 1.368 590 I CB -0.180 37.724 38.000 -0.160 0.000 1.058 590 I HN 0.032 nan 8.210 nan 0.000 0.410 591 K N 0.883 121.105 120.400 -0.297 0.000 2.209 591 K HA -0.201 4.114 4.320 -0.009 0.000 0.204 591 K C 1.970 178.472 176.600 -0.163 0.000 1.048 591 K CA 1.112 57.240 56.287 -0.266 0.000 0.940 591 K CB -0.306 31.953 32.500 -0.401 0.000 0.729 591 K HN 0.348 nan 8.250 nan 0.000 0.451 592 K N 1.192 121.501 120.400 -0.151 0.000 2.062 592 K HA -0.079 4.235 4.320 -0.009 0.000 0.205 592 K C 0.004 176.558 176.600 -0.077 0.000 1.051 592 K CA 1.053 57.278 56.287 -0.103 0.000 0.941 592 K CB 0.362 32.804 32.500 -0.096 0.000 0.719 592 K HN 0.064 nan 8.250 nan 0.000 0.440 593 E N 0.229 120.382 120.200 -0.078 0.000 3.374 593 E HA 0.123 4.468 4.350 -0.009 0.000 0.223 593 E C -2.366 174.201 176.600 -0.054 0.000 1.210 593 E CA -1.620 54.748 56.400 -0.054 0.000 0.987 593 E CB 1.757 31.432 29.700 -0.043 0.000 1.322 593 E HN 0.116 nan 8.360 nan 0.000 0.404 594 P HA -0.197 nan 4.420 nan 0.000 0.215 594 P C 0.629 177.915 177.300 -0.023 0.000 1.157 594 P CA 1.147 64.219 63.100 -0.046 0.000 0.874 594 P CB 0.221 31.898 31.700 -0.038 0.000 0.790 595 N N -0.828 117.867 118.700 -0.009 0.000 2.362 595 N HA -0.012 4.722 4.740 -0.009 0.000 0.204 595 N C 0.545 176.074 175.510 0.031 0.000 1.166 595 N CA 0.380 53.438 53.050 0.013 0.000 0.831 595 N CB 0.034 38.528 38.487 0.012 0.000 1.008 595 N HN 0.234 nan 8.380 nan 0.000 0.472 596 K N 0.854 121.266 120.400 0.020 0.000 2.130 596 K HA 0.165 4.480 4.320 -0.009 0.000 0.268 596 K C -0.810 175.832 176.600 0.071 0.000 0.983 596 K CA -0.568 55.745 56.287 0.043 0.000 0.893 596 K CB 0.966 33.471 32.500 0.008 0.000 1.066 596 K HN -0.139 nan 8.250 nan 0.000 0.450 597 F N 4.080 124.017 119.950 -0.021 0.000 2.399 597 F HA 0.284 4.805 4.527 -0.009 0.000 0.342 597 F C -0.445 175.341 175.800 -0.023 0.000 1.106 597 F CA -0.135 57.854 58.000 -0.020 0.000 1.196 597 F CB 0.747 39.738 39.000 -0.015 0.000 1.163 597 F HN 0.190 nan 8.300 nan 0.000 0.547 598 V N 3.888 123.178 119.914 -1.039 0.000 2.888 598 V HA 0.510 4.625 4.120 -0.009 0.000 0.309 598 V C -0.918 174.568 176.094 -1.013 0.000 1.114 598 V CA -1.227 60.626 62.300 -0.746 0.000 0.940 598 V CB 0.822 32.422 31.823 -0.371 0.000 1.021 598 V HN 0.608 nan 8.190 nan 0.000 0.426 599 V N 4.769 124.349 119.914 -0.558 0.000 2.540 599 V HA 0.176 4.290 4.120 -0.009 0.000 0.297 599 V C -1.789 174.142 176.094 -0.271 0.000 1.024 599 V CA -0.266 61.849 62.300 -0.308 0.000 1.105 599 V CB 0.360 32.128 31.823 -0.091 0.000 0.938 599 V HN 0.906 nan 8.190 nan 0.000 0.482 600 P HA 0.323 nan 4.420 nan 0.000 0.268 600 P C -0.408 176.808 177.300 -0.139 0.000 1.205 600 P CA -0.025 62.993 63.100 -0.136 0.000 0.771 600 P CB 0.521 32.190 31.700 -0.051 0.000 0.858 601 R N 0.960 121.388 120.500 -0.120 0.000 2.698 601 R HA 0.542 4.877 4.340 -0.009 0.000 0.275 601 R C -0.979 175.277 176.300 -0.072 0.000 1.001 601 R CA -0.636 55.393 56.100 -0.118 0.000 0.896 601 R CB 2.078 32.290 30.300 -0.147 0.000 1.218 601 R HN 0.283 nan 8.270 nan 0.000 0.462 602 T N 1.965 116.491 114.554 -0.046 0.000 2.842 602 T HA 0.246 4.591 4.350 -0.009 0.000 0.308 602 T C -0.386 174.228 174.700 -0.145 0.000 1.041 602 T CA -0.461 61.574 62.100 -0.108 0.000 0.964 602 T CB 1.212 69.964 68.868 -0.193 0.000 0.972 602 T HN 0.139 nan 8.240 nan 0.000 0.460 603 V N 5.916 125.751 119.914 -0.133 0.000 2.368 603 V HA 0.409 4.523 4.120 -0.009 0.000 0.266 603 V C 0.067 176.077 176.094 -0.140 0.000 1.045 603 V CA -0.378 61.847 62.300 -0.124 0.000 0.899 603 V CB 0.600 32.363 31.823 -0.100 0.000 1.006 603 V HN 0.853 nan 8.190 nan 0.000 0.470 604 M N 6.632 126.137 119.600 -0.158 0.000 2.227 604 M HA 0.615 5.090 4.480 -0.009 0.000 0.335 604 M C -0.949 175.237 176.300 -0.189 0.000 1.053 604 M CA -0.143 55.055 55.300 -0.169 0.000 0.973 604 M CB 1.939 34.434 32.600 -0.174 0.000 1.623 604 M HN 0.420 nan 8.290 nan 0.000 0.434 605 I N 1.936 122.373 120.570 -0.222 0.000 2.499 605 I HA 0.794 4.958 4.170 -0.009 0.000 0.288 605 I C 0.005 175.786 176.117 -0.560 0.000 1.048 605 I CA -0.603 60.535 61.300 -0.269 0.000 1.062 605 I CB 2.299 40.228 38.000 -0.119 0.000 1.238 605 I HN 0.801 nan 8.210 nan 0.000 0.426 606 G N 3.026 111.469 108.800 -0.595 0.000 2.690 606 G HA2 0.850 4.805 3.960 -0.009 0.000 0.293 606 G HA3 0.850 4.805 3.960 -0.009 0.000 0.293 606 G C -0.999 173.611 174.900 -0.484 0.000 1.399 606 G CA -0.803 43.803 45.100 -0.824 0.000 0.890 606 G HN 0.982 nan 8.290 nan 0.000 0.485 607 G N -0.404 108.270 108.800 -0.210 0.000 2.329 607 G HA2 0.398 4.352 3.960 -0.009 0.000 0.308 607 G HA3 0.398 4.352 3.960 -0.009 0.000 0.308 607 G C -1.257 173.792 174.900 0.248 0.000 1.587 607 G CA -1.027 44.120 45.100 0.079 0.000 0.978 607 G HN 0.608 nan 8.290 nan 0.000 0.685 608 K N -0.105 120.435 120.400 0.233 0.000 2.098 608 K HA 0.771 5.086 4.320 -0.009 0.000 0.258 608 K C 0.233 176.982 176.600 0.247 0.000 0.973 608 K CA -0.233 56.212 56.287 0.265 0.000 0.898 608 K CB 2.093 34.664 32.500 0.118 0.000 1.057 608 K HN 0.885 nan 8.250 nan 0.000 0.447 609 A N 1.278 124.271 122.820 0.289 0.000 2.324 609 A HA 0.655 4.969 4.320 -0.009 0.000 0.330 609 A C -0.518 177.242 177.584 0.293 0.000 1.165 609 A CA -0.747 51.401 52.037 0.186 0.000 0.813 609 A CB 1.099 20.123 19.000 0.040 0.000 1.197 609 A HN 0.769 nan 8.150 nan 0.000 0.484 610 A N 3.320 126.302 122.820 0.270 0.000 2.511 610 A HA 0.490 4.805 4.320 -0.009 0.000 0.242 610 A C -1.399 176.273 177.584 0.146 0.000 1.069 610 A CA -0.873 51.321 52.037 0.260 0.000 0.763 610 A CB -0.377 18.744 19.000 0.201 0.000 1.001 610 A HN 0.599 nan 8.150 nan 0.000 0.498 611 P HA -0.175 nan 4.420 nan 0.000 0.217 611 P C 1.289 178.583 177.300 -0.011 0.000 1.151 611 P CA 2.126 65.180 63.100 -0.077 0.000 0.849 611 P CB 0.204 31.818 31.700 -0.145 0.000 0.787 612 G N -3.201 105.613 108.800 0.024 0.000 3.189 612 G HA2 -0.066 3.889 3.960 -0.009 0.000 0.225 612 G HA3 -0.066 3.889 3.960 -0.009 0.000 0.225 612 G C -0.243 174.692 174.900 0.058 0.000 1.159 612 G CA -0.131 44.984 45.100 0.026 0.000 0.763 612 G HN 0.309 nan 8.290 nan 0.000 0.549 613 Y N 1.763 122.005 120.300 -0.097 0.000 2.691 613 Y HA 0.174 4.719 4.550 -0.009 0.000 0.338 613 Y C 1.672 177.551 175.900 -0.034 0.000 1.148 613 Y CA -1.076 56.946 58.100 -0.130 0.000 1.430 613 Y CB 0.104 38.447 38.460 -0.195 0.000 1.303 613 Y HN 0.311 nan 8.280 nan 0.000 0.499 614 H N 3.949 123.128 119.070 0.181 0.000 2.289 614 H HA -0.242 4.309 4.556 -0.009 0.000 0.296 614 H C 1.825 177.179 175.328 0.042 0.000 1.091 614 H CA 2.469 58.573 56.048 0.093 0.000 1.274 614 H CB 0.328 30.142 29.762 0.087 0.000 1.364 614 H HN 0.716 nan 8.280 nan 0.000 0.490 615 M N 0.989 120.604 119.600 0.024 0.000 2.159 615 M HA -0.079 4.395 4.480 -0.009 0.000 0.263 615 M C 2.555 178.622 176.300 -0.389 0.000 1.063 615 M CA 1.821 57.046 55.300 -0.125 0.000 1.110 615 M CB -0.724 31.930 32.600 0.090 0.000 1.374 615 M HN 0.345 nan 8.290 nan 0.000 0.411 616 A N -0.337 122.002 122.820 -0.802 0.000 1.902 616 A HA -0.203 4.111 4.320 -0.009 0.000 0.217 616 A C 2.202 179.579 177.584 -0.346 0.000 1.181 616 A CA 1.939 53.527 52.037 -0.748 0.000 0.623 616 A CB -0.657 17.709 19.000 -1.057 0.000 0.818 616 A HN 0.590 nan 8.150 nan 0.000 0.443 617 K N -1.187 119.062 120.400 -0.252 0.000 2.148 617 K HA -0.016 4.298 4.320 -0.009 0.000 0.204 617 K C 1.867 178.406 176.600 -0.102 0.000 1.050 617 K CA 1.117 57.338 56.287 -0.110 0.000 0.942 617 K CB -0.176 32.319 32.500 -0.008 0.000 0.724 617 K HN 0.345 nan 8.250 nan 0.000 0.446 618 M N 0.413 119.908 119.600 -0.176 0.000 2.254 618 M HA -0.046 4.429 4.480 -0.009 0.000 0.265 618 M C 2.041 178.278 176.300 -0.106 0.000 1.066 618 M CA 1.321 56.563 55.300 -0.097 0.000 1.123 618 M CB -0.493 32.046 32.600 -0.102 0.000 1.388 618 M HN 0.121 nan 8.290 nan 0.000 0.425 619 I N -0.255 120.217 120.570 -0.164 0.000 2.315 619 I HA -0.280 3.884 4.170 -0.009 0.000 0.248 619 I C 2.260 178.250 176.117 -0.212 0.000 1.117 619 I CA 0.972 62.166 61.300 -0.176 0.000 1.404 619 I CB -0.258 37.639 38.000 -0.171 0.000 1.071 619 I HN 0.160 nan 8.210 nan 0.000 0.419 620 I N 0.714 121.138 120.570 -0.245 0.000 2.226 620 I HA -0.303 3.861 4.170 -0.009 0.000 0.245 620 I C 2.605 178.440 176.117 -0.470 0.000 1.100 620 I CA 1.227 62.292 61.300 -0.392 0.000 1.374 620 I CB -0.293 37.442 38.000 -0.442 0.000 1.057 620 I HN 0.158 nan 8.210 nan 0.000 0.413 621 K N 1.588 121.715 120.400 -0.455 0.000 2.057 621 K HA -0.160 4.154 4.320 -0.009 0.000 0.207 621 K C 2.052 178.489 176.600 -0.273 0.000 1.049 621 K CA 1.541 57.478 56.287 -0.584 0.000 0.931 621 K CB -0.642 31.251 32.500 -1.012 0.000 0.714 621 K HN 0.224 nan 8.250 nan 0.000 0.440 622 L N 0.411 121.515 121.223 -0.200 0.000 2.042 622 L HA -0.184 4.151 4.340 -0.009 0.000 0.210 622 L C 2.204 178.838 176.870 -0.393 0.000 1.076 622 L CA 1.742 56.296 54.840 -0.475 0.000 0.749 622 L CB -0.289 41.400 42.059 -0.616 0.000 0.893 622 L HN 0.282 nan 8.230 nan 0.000 0.432 623 I N -0.233 120.159 120.570 -0.297 0.000 2.179 623 I HA -0.330 3.834 4.170 -0.009 0.000 0.242 623 I C 2.633 178.642 176.117 -0.181 0.000 1.088 623 I CA 1.926 63.102 61.300 -0.207 0.000 1.357 623 I CB -0.601 37.358 38.000 -0.068 0.000 1.051 623 I HN 0.431 nan 8.210 nan 0.000 0.409 624 T N -0.792 113.629 114.554 -0.221 0.000 2.821 624 T HA -0.064 4.281 4.350 -0.009 0.000 0.267 624 T C 1.995 176.624 174.700 -0.118 0.000 1.046 624 T CA 0.920 62.920 62.100 -0.168 0.000 1.139 624 T CB -0.467 68.256 68.868 -0.241 0.000 0.871 624 T HN 0.336 nan 8.240 nan 0.000 0.454 625 A N 1.629 124.377 122.820 -0.120 0.000 1.902 625 A HA 0.110 4.425 4.320 -0.009 0.000 0.217 625 A C 2.393 179.980 177.584 0.004 0.000 1.181 625 A CA 1.394 53.431 52.037 -0.001 0.000 0.623 625 A CB -0.844 18.249 19.000 0.155 0.000 0.818 625 A HN 0.601 nan 8.150 nan 0.000 0.443 626 I N -0.372 120.084 120.570 -0.189 0.000 2.226 626 I HA -0.196 3.969 4.170 -0.009 0.000 0.245 626 I C 2.718 178.773 176.117 -0.102 0.000 1.100 626 I CA 1.115 62.265 61.300 -0.249 0.000 1.374 626 I CB -0.672 37.063 38.000 -0.441 0.000 1.057 626 I HN 0.397 nan 8.210 nan 0.000 0.413 627 G N 0.486 109.222 108.800 -0.107 0.000 2.440 627 G HA2 -0.261 3.694 3.960 -0.009 0.000 0.218 627 G HA3 -0.261 3.694 3.960 -0.009 0.000 0.218 627 G C 1.252 176.114 174.900 -0.062 0.000 1.154 627 G CA 0.969 46.013 45.100 -0.093 0.000 0.767 627 G HN 0.283 nan 8.290 nan 0.000 0.552 628 D N 0.047 120.457 120.400 0.016 0.000 2.149 628 D HA -0.092 4.543 4.640 -0.009 0.000 0.198 628 D C 2.713 179.113 176.300 0.165 0.000 0.990 628 D CA 0.790 54.870 54.000 0.133 0.000 0.839 628 D CB -0.237 40.624 40.800 0.101 0.000 0.948 628 D HN 0.253 nan 8.370 nan 0.000 0.460 629 V N 0.199 120.155 119.914 0.070 0.000 2.300 629 V HA -0.142 3.972 4.120 -0.009 0.000 0.241 629 V C 2.629 178.672 176.094 -0.084 0.000 1.034 629 V CA 0.774 63.074 62.300 0.001 0.000 1.021 629 V CB -0.378 31.444 31.823 -0.002 0.000 0.662 629 V HN 0.022 nan 8.190 nan 0.000 0.458 630 V N 1.084 120.879 119.914 -0.199 0.000 2.287 630 V HA -0.237 3.878 4.120 -0.009 0.000 0.248 630 V C 2.169 178.206 176.094 -0.096 0.000 1.053 630 V CA 2.145 64.313 62.300 -0.220 0.000 1.027 630 V CB -0.926 30.766 31.823 -0.219 0.000 0.646 630 V HN 0.579 nan 8.190 nan 0.000 0.447 631 N N -0.343 118.242 118.700 -0.192 0.000 2.520 631 N HA -0.098 4.636 4.740 -0.009 0.000 0.185 631 N C 1.149 176.408 175.510 -0.418 0.000 1.068 631 N CA 0.975 53.836 53.050 -0.316 0.000 0.911 631 N CB -0.293 37.929 38.487 -0.441 0.000 0.961 631 N HN 0.705 nan 8.380 nan 0.000 0.446 632 H N -1.427 117.653 119.070 0.016 0.000 2.581 632 H HA 0.194 4.745 4.556 -0.009 0.000 0.275 632 H C -0.556 174.795 175.328 0.039 0.000 1.126 632 H CA -0.481 55.580 56.048 0.021 0.000 1.097 632 H CB 0.656 30.420 29.762 0.003 0.000 1.626 632 H HN -0.021 nan 8.280 nan 0.000 0.565 633 D N 1.655 122.138 120.400 0.138 0.000 2.380 633 D HA 0.054 4.689 4.640 -0.009 0.000 0.230 633 D C -1.678 174.690 176.300 0.114 0.000 1.154 633 D CA -2.087 52.008 54.000 0.157 0.000 0.859 633 D CB 1.609 42.578 40.800 0.283 0.000 1.045 633 D HN 0.090 nan 8.370 nan 0.000 0.495 634 P HA -0.179 nan 4.420 nan 0.000 0.216 634 P C 1.580 178.910 177.300 0.050 0.000 1.154 634 P CA 0.616 63.753 63.100 0.062 0.000 0.865 634 P CB 0.407 32.136 31.700 0.049 0.000 0.789 635 V N -0.839 119.104 119.914 0.048 0.000 2.490 635 V HA -0.174 3.940 4.120 -0.009 0.000 0.250 635 V C 2.389 178.495 176.094 0.021 0.000 1.061 635 V CA 1.566 63.880 62.300 0.024 0.000 1.064 635 V CB -1.025 30.800 31.823 0.003 0.000 0.670 635 V HN -0.004 nan 8.190 nan 0.000 0.461 636 V N -0.224 119.722 119.914 0.052 0.000 2.453 636 V HA 0.117 4.231 4.120 -0.009 0.000 0.247 636 V C 1.806 177.917 176.094 0.029 0.000 1.048 636 V CA 1.448 63.778 62.300 0.049 0.000 1.049 636 V CB -1.203 30.696 31.823 0.126 0.000 0.672 636 V HN 0.733 nan 8.190 nan 0.000 0.457 637 G N 1.592 110.415 108.800 0.039 0.000 2.550 637 G HA2 -0.399 3.555 3.960 -0.009 0.000 0.277 637 G HA3 -0.399 3.555 3.960 -0.009 0.000 0.277 637 G C 0.233 175.150 174.900 0.029 0.000 1.190 637 G CA 0.589 45.709 45.100 0.034 0.000 0.971 637 G HN 0.729 nan 8.290 nan 0.000 0.559 638 D N -0.169 120.248 120.400 0.028 0.000 2.388 638 D HA 0.297 4.932 4.640 -0.009 0.000 0.221 638 D C 1.839 178.139 176.300 0.000 0.000 1.133 638 D CA 0.187 54.202 54.000 0.026 0.000 0.831 638 D CB 0.126 40.956 40.800 0.051 0.000 0.962 638 D HN 0.558 nan 8.370 nan 0.000 0.502 639 R N -0.662 119.828 120.500 -0.017 0.000 2.200 639 R HA 0.235 4.569 4.340 -0.009 0.000 0.208 639 R C -0.210 176.049 176.300 -0.068 0.000 1.033 639 R CA 0.278 56.342 56.100 -0.059 0.000 1.000 639 R CB 0.213 30.462 30.300 -0.085 0.000 0.906 639 R HN 0.183 nan 8.270 nan 0.000 0.462 640 L N 0.575 121.774 121.223 -0.039 0.000 2.505 640 L HA 0.394 4.729 4.340 -0.009 0.000 0.266 640 L C -1.562 175.282 176.870 -0.045 0.000 0.954 640 L CA -0.492 54.321 54.840 -0.046 0.000 0.852 640 L CB 1.852 43.898 42.059 -0.021 0.000 1.282 640 L HN -0.180 nan 8.230 nan 0.000 0.403 641 R N 3.875 124.333 120.500 -0.070 0.000 2.574 641 R HA 0.733 5.067 4.340 -0.009 0.000 0.288 641 R C -1.689 174.550 176.300 -0.103 0.000 1.004 641 R CA -0.763 55.285 56.100 -0.087 0.000 0.895 641 R CB 2.428 32.675 30.300 -0.088 0.000 1.191 641 R HN 0.412 nan 8.270 nan 0.000 0.444 642 V N 5.188 125.038 119.914 -0.107 0.000 2.350 642 V HA 0.448 4.563 4.120 -0.009 0.000 0.285 642 V C -0.333 175.711 176.094 -0.084 0.000 1.014 642 V CA -0.659 61.580 62.300 -0.102 0.000 0.831 642 V CB 1.485 33.242 31.823 -0.110 0.000 1.000 642 V HN 0.529 nan 8.190 nan 0.000 0.433 643 I N 4.999 125.521 120.570 -0.081 0.000 2.465 643 I HA 0.445 4.610 4.170 -0.009 0.000 0.291 643 I C -0.636 175.463 176.117 -0.030 0.000 1.014 643 I CA -0.378 60.890 61.300 -0.054 0.000 1.093 643 I CB 1.866 39.816 38.000 -0.084 0.000 1.267 643 I HN 0.546 nan 8.210 nan 0.000 0.431 644 F N 7.315 127.202 119.950 -0.105 0.000 2.371 644 F HA 0.477 4.999 4.527 -0.009 0.000 0.363 644 F C -0.580 175.166 175.800 -0.089 0.000 1.122 644 F CA -0.761 57.179 58.000 -0.100 0.000 1.129 644 F CB 0.604 39.541 39.000 -0.104 0.000 1.173 644 F HN 0.149 nan 8.300 nan 0.000 0.489 645 L N 6.062 126.902 121.223 -0.638 0.000 2.485 645 L HA 0.110 4.444 4.340 -0.009 0.000 0.279 645 L C 0.415 177.029 176.870 -0.427 0.000 1.124 645 L CA 0.288 54.896 54.840 -0.387 0.000 0.888 645 L CB -0.155 41.752 42.059 -0.253 0.000 1.217 645 L HN 0.624 nan 8.230 nan 0.000 0.464 646 E N 3.467 123.563 120.200 -0.174 0.000 2.373 646 E HA -0.023 4.321 4.350 -0.009 0.000 0.267 646 E C 0.502 177.152 176.600 0.084 0.000 1.032 646 E CA -0.326 56.087 56.400 0.022 0.000 0.889 646 E CB 0.346 29.982 29.700 -0.108 0.000 0.984 646 E HN 0.546 nan 8.360 nan 0.000 0.425 647 N N 2.550 121.366 118.700 0.193 0.000 2.725 647 N HA -0.285 4.450 4.740 -0.009 0.000 0.251 647 N C -1.497 174.119 175.510 0.177 0.000 1.031 647 N CA 0.571 53.738 53.050 0.196 0.000 0.720 647 N CB -1.603 37.014 38.487 0.216 0.000 0.930 647 N HN 0.489 nan 8.380 nan 0.000 0.543 648 Y N 1.429 121.749 120.300 0.034 0.000 2.717 648 Y HA 0.173 4.717 4.550 -0.009 0.000 0.330 648 Y C 1.152 177.078 175.900 0.044 0.000 1.217 648 Y CA 0.723 58.828 58.100 0.009 0.000 1.506 648 Y CB 0.335 38.765 38.460 -0.049 0.000 1.268 648 Y HN 0.398 nan 8.280 nan 0.000 0.561 649 R N 2.301 122.442 120.500 -0.597 0.000 2.756 649 R HA 0.440 4.775 4.340 -0.009 0.000 0.273 649 R C -0.401 175.562 176.300 -0.562 0.000 1.030 649 R CA -0.563 55.273 56.100 -0.439 0.000 0.887 649 R CB 0.257 30.503 30.300 -0.090 0.000 1.274 649 R HN 0.351 nan 8.270 nan 0.000 0.461 650 V N 1.091 120.725 119.914 -0.466 0.000 2.252 650 V HA -0.309 3.806 4.120 -0.009 0.000 0.249 650 V C 2.611 178.588 176.094 -0.194 0.000 1.056 650 V CA 2.897 64.989 62.300 -0.348 0.000 1.022 650 V CB -0.886 30.713 31.823 -0.373 0.000 0.641 650 V HN 0.936 nan 8.190 nan 0.000 0.445 651 S N 0.096 115.704 115.700 -0.153 0.000 2.400 651 S HA -0.205 4.259 4.470 -0.009 0.000 0.232 651 S C 1.925 176.479 174.600 -0.076 0.000 1.025 651 S CA 1.854 59.992 58.200 -0.104 0.000 0.993 651 S CB -0.556 62.613 63.200 -0.051 0.000 0.808 651 S HN 0.400 nan 8.310 nan 0.000 0.478 652 L N 1.810 122.992 121.223 -0.070 0.000 2.131 652 L HA 0.361 4.695 4.340 -0.009 0.000 0.206 652 L C 2.671 179.550 176.870 0.016 0.000 1.087 652 L CA 1.340 56.180 54.840 0.000 0.000 0.767 652 L CB -1.262 40.855 42.059 0.096 0.000 0.917 652 L HN 0.345 nan 8.230 nan 0.000 0.441 653 A N -0.576 122.226 122.820 -0.030 0.000 1.908 653 A HA -0.240 4.074 4.320 -0.009 0.000 0.218 653 A C 2.109 179.752 177.584 0.099 0.000 1.181 653 A CA 1.846 53.947 52.037 0.106 0.000 0.627 653 A CB -0.639 18.407 19.000 0.078 0.000 0.818 653 A HN 0.597 nan 8.150 nan 0.000 0.445 654 E N -0.453 119.791 120.200 0.073 0.000 2.333 654 E HA -0.165 4.179 4.350 -0.009 0.000 0.198 654 E C 1.807 178.377 176.600 -0.051 0.000 1.007 654 E CA 1.157 57.558 56.400 0.002 0.000 0.845 654 E CB -0.053 29.555 29.700 -0.153 0.000 0.766 654 E HN 0.628 nan 8.360 nan 0.000 0.507 655 K N -0.118 120.234 120.400 -0.080 0.000 2.214 655 K HA 0.006 4.320 4.320 -0.009 0.000 0.201 655 K C 2.127 178.535 176.600 -0.320 0.000 1.049 655 K CA 0.711 56.931 56.287 -0.113 0.000 0.978 655 K CB 0.445 32.883 32.500 -0.103 0.000 0.842 655 K HN -0.019 nan 8.250 nan 0.000 0.474 656 V N 1.251 120.894 119.914 -0.452 0.000 2.407 656 V HA -0.142 3.972 4.120 -0.009 0.000 0.245 656 V C 2.193 178.051 176.094 -0.394 0.000 1.041 656 V CA 1.186 63.025 62.300 -0.769 0.000 1.040 656 V CB -0.637 30.889 31.823 -0.496 0.000 0.671 656 V HN 0.183 nan 8.190 nan 0.000 0.455 657 I N 0.766 121.149 120.570 -0.313 0.000 2.163 657 I HA -0.161 4.004 4.170 -0.009 0.000 0.243 657 I C -0.102 175.900 176.117 -0.192 0.000 1.085 657 I CA 1.872 62.915 61.300 -0.428 0.000 1.347 657 I CB -1.557 36.074 38.000 -0.615 0.000 1.044 657 I HN 0.343 nan 8.210 nan 0.000 0.408 658 P HA -0.121 nan 4.420 nan 0.000 0.222 658 P C 0.922 178.218 177.300 -0.007 0.000 1.147 658 P CA 1.303 64.378 63.100 -0.041 0.000 0.790 658 P CB 0.042 31.727 31.700 -0.025 0.000 0.780 659 A N -1.412 121.387 122.820 -0.034 0.000 2.308 659 A HA 0.497 4.811 4.320 -0.009 0.000 0.217 659 A C 1.095 178.788 177.584 0.182 0.000 1.216 659 A CA 0.043 52.117 52.037 0.063 0.000 0.864 659 A CB -0.603 18.447 19.000 0.084 0.000 0.902 659 A HN 0.186 nan 8.150 nan 0.000 0.499 660 A N -0.293 122.628 122.820 0.168 0.000 2.316 660 A HA 0.514 4.828 4.320 -0.009 0.000 0.284 660 A C 0.311 178.039 177.584 0.239 0.000 1.115 660 A CA -0.225 51.972 52.037 0.267 0.000 0.812 660 A CB 0.433 19.678 19.000 0.409 0.000 1.064 660 A HN 0.244 nan 8.150 nan 0.000 0.489 661 D N 0.247 120.783 120.400 0.226 0.000 2.463 661 D HA 0.141 4.776 4.640 -0.009 0.000 0.237 661 D C -0.032 176.474 176.300 0.344 0.000 1.013 661 D CA 0.675 54.858 54.000 0.304 0.000 0.910 661 D CB 0.331 41.213 40.800 0.136 0.000 1.080 661 D HN 0.355 nan 8.370 nan 0.000 0.498 662 L N 1.107 122.413 121.223 0.139 0.000 2.356 662 L HA 0.308 4.643 4.340 -0.009 0.000 0.277 662 L C -0.818 175.925 176.870 -0.211 0.000 0.996 662 L CA -0.321 54.525 54.840 0.010 0.000 0.822 662 L CB 2.098 44.139 42.059 -0.031 0.000 1.256 662 L HN -0.184 nan 8.230 nan 0.000 0.413 663 S N 4.229 119.718 115.700 -0.352 0.000 2.422 663 S HA 0.321 4.785 4.470 -0.009 0.000 0.308 663 S C -0.406 173.917 174.600 -0.460 0.000 1.097 663 S CA -0.697 57.053 58.200 -0.750 0.000 1.099 663 S CB 0.620 63.317 63.200 -0.838 0.000 0.976 663 S HN 0.542 nan 8.310 nan 0.000 0.471 664 E N 4.142 124.085 120.200 -0.427 0.000 2.105 664 E HA 0.196 4.541 4.350 -0.009 0.000 0.285 664 E C -0.519 175.967 176.600 -0.190 0.000 1.055 664 E CA -0.377 55.895 56.400 -0.214 0.000 0.843 664 E CB 0.910 30.514 29.700 -0.160 0.000 1.067 664 E HN 0.594 nan 8.360 nan 0.000 0.398 665 Q N 2.759 122.501 119.800 -0.097 0.000 2.965 665 Q HA 0.263 4.597 4.340 -0.009 0.000 0.288 665 Q C 0.577 176.561 176.000 -0.025 0.000 0.974 665 Q CA -0.138 55.621 55.803 -0.073 0.000 0.849 665 Q CB 0.223 28.932 28.738 -0.049 0.000 1.280 665 Q HN 0.611 nan 8.270 nan 0.000 0.441 666 I N -1.538 119.004 120.570 -0.047 0.000 3.637 666 I HA 0.283 4.448 4.170 -0.009 0.000 0.342 666 I C 0.354 176.413 176.117 -0.097 0.000 1.545 666 I CA -0.662 60.618 61.300 -0.033 0.000 1.126 666 I CB 0.297 38.282 38.000 -0.024 0.000 1.375 666 I HN -0.009 nan 8.210 nan 0.000 0.467 667 S N 0.310 115.953 115.700 -0.095 0.000 2.579 667 S HA 0.214 4.678 4.470 -0.009 0.000 0.275 667 S C 0.553 175.122 174.600 -0.052 0.000 1.345 667 S CA -0.320 57.840 58.200 -0.067 0.000 1.031 667 S CB 0.500 63.707 63.200 0.011 0.000 0.892 667 S HN 0.399 nan 8.310 nan 0.000 0.529 668 T N 2.686 117.240 114.554 -0.000 0.000 2.902 668 T HA 0.396 4.741 4.350 -0.009 0.000 0.301 668 T C 0.747 175.445 174.700 -0.005 0.000 1.012 668 T CA 0.222 62.330 62.100 0.013 0.000 1.151 668 T CB 0.060 69.010 68.868 0.137 0.000 0.946 668 T HN 1.006 nan 8.240 nan 0.000 0.542 669 A N 2.689 125.478 122.820 -0.052 0.000 2.580 669 A HA 0.438 4.753 4.320 -0.009 0.000 0.244 669 A C 1.657 179.225 177.584 -0.026 0.000 1.045 669 A CA 0.344 52.347 52.037 -0.055 0.000 0.761 669 A CB -0.923 18.033 19.000 -0.073 0.000 0.962 669 A HN 1.696 nan 8.150 nan 0.000 0.512 670 G N 1.402 110.185 108.800 -0.029 0.000 2.175 670 G HA2 -0.257 3.697 3.960 -0.009 0.000 0.244 670 G HA3 -0.257 3.697 3.960 -0.009 0.000 0.244 670 G C 0.929 175.805 174.900 -0.040 0.000 0.982 670 G CA 1.150 46.235 45.100 -0.025 0.000 0.641 670 G HN 2.003 nan 8.290 nan 0.000 0.527 671 T N -2.388 112.135 114.554 -0.052 0.000 3.034 671 T HA 0.395 4.740 4.350 -0.009 0.000 0.248 671 T C 0.790 175.317 174.700 -0.288 0.000 1.040 671 T CA 1.111 63.105 62.100 -0.177 0.000 1.107 671 T CB 0.503 69.289 68.868 -0.137 0.000 0.932 671 T HN 0.269 nan 8.240 nan 0.000 0.474 672 E N 1.544 121.707 120.200 -0.061 0.000 1.996 672 E HA 0.658 5.003 4.350 -0.009 0.000 0.280 672 E C 1.175 177.721 176.600 -0.090 0.000 1.092 672 E CA 0.044 56.458 56.400 0.023 0.000 0.862 672 E CB 0.696 30.464 29.700 0.114 0.000 1.066 672 E HN 0.346 nan 8.360 nan 0.000 0.396 673 A N 3.379 126.072 122.820 -0.212 0.000 1.903 673 A HA -0.250 4.064 4.320 -0.009 0.000 0.219 673 A C 1.982 179.444 177.584 -0.204 0.000 1.191 673 A CA 2.397 54.179 52.037 -0.424 0.000 0.638 673 A CB -0.278 18.259 19.000 -0.771 0.000 0.823 673 A HN 0.606 nan 8.150 nan 0.000 0.451 674 S N -4.111 111.528 115.700 -0.103 0.000 3.984 674 S HA 0.454 4.918 4.470 -0.009 0.000 0.221 674 S C 0.652 175.239 174.600 -0.020 0.000 1.149 674 S CA 1.381 59.563 58.200 -0.029 0.000 0.950 674 S CB -0.079 63.129 63.200 0.013 0.000 1.216 674 S HN 2.314 nan 8.310 nan 0.000 0.547 675 G N 0.348 109.143 108.800 -0.009 0.000 2.721 675 G HA2 -0.030 3.925 3.960 -0.009 0.000 0.686 675 G HA3 -0.030 3.925 3.960 -0.009 0.000 0.686 675 G C 0.221 175.100 174.900 -0.034 0.000 1.236 675 G CA 0.455 45.545 45.100 -0.016 0.000 0.786 675 G HN 1.317 nan 8.290 nan 0.000 0.616 676 T N -1.776 112.745 114.554 -0.056 0.000 2.992 676 T HA 0.378 4.723 4.350 -0.009 0.000 0.255 676 T C 2.360 176.961 174.700 -0.166 0.000 0.938 676 T CA 1.239 63.278 62.100 -0.101 0.000 0.895 676 T CB 0.328 69.130 68.868 -0.110 0.000 1.221 676 T HN 1.871 nan 8.240 nan 0.000 0.512 677 G N 3.132 111.862 108.800 -0.118 0.000 2.442 677 G HA2 -0.261 3.694 3.960 -0.009 0.000 0.219 677 G HA3 -0.261 3.694 3.960 -0.009 0.000 0.219 677 G C 1.459 176.404 174.900 0.075 0.000 1.141 677 G CA 1.163 46.210 45.100 -0.087 0.000 0.763 677 G HN 0.827 nan 8.290 nan 0.000 0.554 678 N N 0.166 118.895 118.700 0.048 0.000 2.094 678 N HA -0.165 4.570 4.740 -0.009 0.000 0.191 678 N C 2.219 177.737 175.510 0.014 0.000 1.023 678 N CA 1.395 54.479 53.050 0.056 0.000 0.857 678 N CB -0.365 38.105 38.487 -0.028 0.000 1.013 678 N HN 0.347 nan 8.380 nan 0.000 0.426 679 M N 0.838 120.378 119.600 -0.100 0.000 2.132 679 M HA -0.045 4.430 4.480 -0.009 0.000 0.263 679 M C 2.034 178.291 176.300 -0.072 0.000 1.065 679 M CA 1.506 56.731 55.300 -0.124 0.000 1.122 679 M CB -0.123 32.407 32.600 -0.116 0.000 1.365 679 M HN 0.112 nan 8.290 nan 0.000 0.411 680 K N 0.062 120.346 120.400 -0.194 0.000 2.063 680 K HA -0.131 4.183 4.320 -0.009 0.000 0.208 680 K C 1.714 178.200 176.600 -0.189 0.000 1.048 680 K CA 1.453 57.562 56.287 -0.296 0.000 0.928 680 K CB -0.342 31.748 32.500 -0.684 0.000 0.713 680 K HN 0.145 nan 8.250 nan 0.000 0.442 681 F N 1.100 120.983 119.950 -0.112 0.000 2.134 681 F HA -0.128 4.393 4.527 -0.010 0.000 0.299 681 F C 2.570 178.345 175.800 -0.041 0.000 1.097 681 F CA 1.237 59.195 58.000 -0.071 0.000 1.264 681 F CB -0.307 38.638 39.000 -0.090 0.000 1.001 681 F HN 0.004 nan 8.300 nan 0.000 0.479 682 M N -0.508 119.181 119.600 0.148 0.000 2.117 682 M HA -0.180 4.295 4.480 -0.009 0.000 0.262 682 M C 2.054 178.413 176.300 0.098 0.000 1.065 682 M CA 1.554 56.914 55.300 0.100 0.000 1.114 682 M CB -0.219 32.439 32.600 0.097 0.000 1.361 682 M HN 0.252 nan 8.290 nan 0.000 0.408 683 L N 0.802 122.080 121.223 0.093 0.000 2.291 683 L HA -0.053 4.281 4.340 -0.009 0.000 0.214 683 L C 1.286 178.205 176.870 0.081 0.000 1.120 683 L CA 1.545 56.446 54.840 0.102 0.000 0.799 683 L CB -0.607 41.523 42.059 0.117 0.000 0.925 683 L HN 0.354 nan 8.230 nan 0.000 0.446 684 N N -0.172 118.566 118.700 0.063 0.000 2.235 684 N HA 0.163 4.898 4.740 -0.009 0.000 0.209 684 N C 0.845 176.392 175.510 0.062 0.000 1.122 684 N CA 0.781 53.861 53.050 0.051 0.000 0.845 684 N CB 0.541 39.035 38.487 0.012 0.000 1.004 684 N HN 0.402 nan 8.380 nan 0.000 0.499 685 G N 0.534 109.375 108.800 0.069 0.000 2.142 685 G HA2 -0.190 3.764 3.960 -0.009 0.000 0.225 685 G HA3 -0.190 3.764 3.960 -0.009 0.000 0.225 685 G C -0.052 174.914 174.900 0.111 0.000 1.015 685 G CA 0.151 45.292 45.100 0.069 0.000 0.716 685 G HN 0.521 nan 8.290 nan 0.000 0.508 686 A N -0.359 122.534 122.820 0.122 0.000 2.340 686 A HA 0.894 5.208 4.320 -0.009 0.000 0.331 686 A C 0.301 177.885 177.584 0.001 0.000 1.140 686 A CA -0.684 51.442 52.037 0.148 0.000 0.801 686 A CB 1.176 20.323 19.000 0.246 0.000 1.234 686 A HN 0.690 nan 8.150 nan 0.000 0.469 687 L N 0.733 121.914 121.223 -0.069 0.000 2.421 687 L HA 0.463 4.797 4.340 -0.009 0.000 0.263 687 L C 0.156 176.887 176.870 -0.232 0.000 1.122 687 L CA -0.352 54.339 54.840 -0.248 0.000 0.804 687 L CB 1.561 43.378 42.059 -0.403 0.000 1.150 687 L HN 0.695 nan 8.230 nan 0.000 0.457 688 T N 2.793 117.078 114.554 -0.448 0.000 2.779 688 T HA 0.458 4.802 4.350 -0.009 0.000 0.280 688 T C -0.428 174.128 174.700 -0.240 0.000 0.987 688 T CA -0.248 61.570 62.100 -0.470 0.000 0.966 688 T CB 1.441 69.826 68.868 -0.804 0.000 0.933 688 T HN 0.359 nan 8.240 nan 0.000 0.442 689 I N 3.072 123.609 120.570 -0.054 0.000 2.355 689 I HA 0.730 4.894 4.170 -0.009 0.000 0.288 689 I C 0.053 176.313 176.117 0.240 0.000 0.999 689 I CA 0.038 61.425 61.300 0.145 0.000 1.163 689 I CB 0.305 38.321 38.000 0.027 0.000 1.316 689 I HN 0.781 nan 8.210 nan 0.000 0.454 690 G N 4.030 113.054 108.800 0.373 0.000 2.600 690 G HA2 0.474 4.428 3.960 -0.009 0.000 0.293 690 G HA3 0.474 4.428 3.960 -0.009 0.000 0.293 690 G C -0.935 173.935 174.900 -0.050 0.000 1.408 690 G CA -0.367 44.880 45.100 0.246 0.000 0.782 690 G HN 0.569 nan 8.290 nan 0.000 0.482 691 T N -1.630 112.762 114.554 -0.270 0.000 2.881 691 T HA 0.536 4.880 4.350 -0.009 0.000 0.278 691 T C 0.645 175.236 174.700 -0.181 0.000 0.982 691 T CA -0.708 61.141 62.100 -0.420 0.000 0.989 691 T CB 1.230 69.853 68.868 -0.409 0.000 1.058 691 T HN 0.249 nan 8.240 nan 0.000 0.529 692 M N 2.832 122.332 119.600 -0.168 0.000 3.436 692 M HA 0.328 4.803 4.480 -0.009 0.000 0.240 692 M C -0.488 175.758 176.300 -0.090 0.000 1.469 692 M CA -0.091 55.145 55.300 -0.106 0.000 1.622 692 M CB -1.674 30.871 32.600 -0.093 0.000 1.098 692 M HN 0.728 nan 8.290 nan 0.000 0.568 693 D N -0.108 120.244 120.400 -0.079 0.000 2.601 693 D HA 0.679 5.313 4.640 -0.009 0.000 0.230 693 D C 0.781 177.056 176.300 -0.042 0.000 1.106 693 D CA 0.671 54.637 54.000 -0.057 0.000 0.873 693 D CB 1.775 42.542 40.800 -0.056 0.000 1.515 693 D HN 0.587 nan 8.370 nan 0.000 0.468 694 G N 1.597 110.380 108.800 -0.028 0.000 2.632 694 G HA2 -0.284 3.670 3.960 -0.009 0.000 0.322 694 G HA3 -0.284 3.670 3.960 -0.009 0.000 0.322 694 G C 1.064 175.951 174.900 -0.020 0.000 1.326 694 G CA 1.323 46.411 45.100 -0.019 0.000 0.986 694 G HN 1.033 nan 8.290 nan 0.000 0.541 695 A N -0.404 122.398 122.820 -0.031 0.000 2.168 695 A HA 0.072 4.387 4.320 -0.009 0.000 0.215 695 A C 2.126 179.635 177.584 -0.125 0.000 1.152 695 A CA 1.890 53.896 52.037 -0.051 0.000 0.716 695 A CB -0.449 18.502 19.000 -0.081 0.000 0.794 695 A HN 0.618 nan 8.150 nan 0.000 0.465 696 N N 0.502 119.143 118.700 -0.098 0.000 2.137 696 N HA -0.151 4.584 4.740 -0.009 0.000 0.190 696 N C 1.576 176.964 175.510 -0.204 0.000 1.017 696 N CA 1.601 54.592 53.050 -0.098 0.000 0.859 696 N CB -0.604 37.879 38.487 -0.008 0.000 1.002 696 N HN 0.296 nan 8.380 nan 0.000 0.428 697 V N 1.233 121.067 119.914 -0.133 0.000 2.343 697 V HA -0.204 3.911 4.120 -0.009 0.000 0.247 697 V C 1.943 177.959 176.094 -0.129 0.000 1.051 697 V CA 1.662 63.882 62.300 -0.134 0.000 1.036 697 V CB -0.480 31.298 31.823 -0.074 0.000 0.654 697 V HN 0.354 nan 8.190 nan 0.000 0.451 698 E N -0.611 119.564 120.200 -0.043 0.000 2.216 698 E HA -0.116 4.229 4.350 -0.009 0.000 0.192 698 E C 2.202 178.897 176.600 0.158 0.000 0.988 698 E CA 0.969 57.419 56.400 0.084 0.000 0.834 698 E CB -0.162 29.677 29.700 0.231 0.000 0.772 698 E HN 0.548 nan 8.360 nan 0.000 0.479 699 M N 0.484 120.042 119.600 -0.070 0.000 2.099 699 M HA -0.122 4.353 4.480 -0.009 0.000 0.262 699 M C 2.516 178.551 176.300 -0.442 0.000 1.067 699 M CA 1.509 56.698 55.300 -0.185 0.000 1.124 699 M CB -0.190 32.186 32.600 -0.373 0.000 1.353 699 M HN 0.134 nan 8.290 nan 0.000 0.410 700 A N -0.039 122.225 122.820 -0.927 0.000 1.902 700 A HA -0.230 4.085 4.320 -0.009 0.000 0.217 700 A C 1.982 179.342 177.584 -0.373 0.000 1.181 700 A CA 2.030 53.464 52.037 -1.006 0.000 0.623 700 A CB -0.847 17.639 19.000 -0.857 0.000 0.818 700 A HN 0.588 nan 8.150 nan 0.000 0.443 701 E N -0.451 119.610 120.200 -0.230 0.000 2.077 701 E HA -0.221 4.124 4.350 -0.009 0.000 0.193 701 E C 1.817 178.380 176.600 -0.062 0.000 0.989 701 E CA 1.307 57.640 56.400 -0.110 0.000 0.800 701 E CB -0.067 29.592 29.700 -0.068 0.000 0.746 701 E HN 0.564 nan 8.360 nan 0.000 0.452 702 E N -0.057 120.132 120.200 -0.019 0.000 2.072 702 E HA -0.124 4.221 4.350 -0.009 0.000 0.190 702 E C 1.823 178.437 176.600 0.023 0.000 0.982 702 E CA 1.114 57.526 56.400 0.021 0.000 0.803 702 E CB -0.112 29.651 29.700 0.104 0.000 0.755 702 E HN 0.360 nan 8.360 nan 0.000 0.453 703 A N 0.301 123.136 122.820 0.025 0.000 2.081 703 A HA 0.351 4.665 4.320 -0.009 0.000 0.214 703 A C 1.026 178.619 177.584 0.016 0.000 1.158 703 A CA 1.049 53.119 52.037 0.054 0.000 0.724 703 A CB 0.122 19.212 19.000 0.151 0.000 0.826 703 A HN 0.239 nan 8.150 nan 0.000 0.463 704 G N -0.336 108.446 108.800 -0.031 0.000 3.225 704 G HA2 -0.078 3.877 3.960 -0.009 0.000 0.686 704 G HA3 -0.078 3.877 3.960 -0.009 0.000 0.686 704 G C -0.048 174.827 174.900 -0.041 0.000 1.105 704 G CA -0.021 45.056 45.100 -0.037 0.000 0.831 704 G HN 0.256 nan 8.290 nan 0.000 0.578 705 E N 1.048 121.211 120.200 -0.061 0.000 2.219 705 E HA -0.202 4.142 4.350 -0.009 0.000 0.198 705 E C 1.977 178.559 176.600 -0.030 0.000 0.998 705 E CA 1.797 58.170 56.400 -0.045 0.000 0.818 705 E CB 0.079 29.751 29.700 -0.046 0.000 0.741 705 E HN 0.782 nan 8.360 nan 0.000 0.477 706 E N 0.731 120.902 120.200 -0.048 0.000 2.268 706 E HA -0.082 4.263 4.350 -0.009 0.000 0.195 706 E C 0.965 177.475 176.600 -0.150 0.000 0.995 706 E CA 0.619 56.971 56.400 -0.080 0.000 0.836 706 E CB -0.021 29.645 29.700 -0.056 0.000 0.763 706 E HN 0.165 nan 8.360 nan 0.000 0.491 707 N N -0.262 118.378 118.700 -0.100 0.000 2.279 707 N HA 0.149 4.883 4.740 -0.009 0.000 0.226 707 N C -0.970 174.456 175.510 -0.141 0.000 1.126 707 N CA 0.101 53.063 53.050 -0.147 0.000 0.846 707 N CB 0.337 38.796 38.487 -0.046 0.000 1.050 707 N HN 0.041 nan 8.380 nan 0.000 0.502 708 F N -0.467 119.236 119.950 -0.412 0.000 2.599 708 F HA 0.409 4.929 4.527 -0.010 0.000 0.311 708 F C -0.839 174.680 175.800 -0.468 0.000 1.076 708 F CA -1.128 56.660 58.000 -0.353 0.000 0.937 708 F CB 1.342 40.248 39.000 -0.157 0.000 1.282 708 F HN -0.219 nan 8.300 nan 0.000 0.460 709 F N 5.116 125.067 119.950 0.003 0.000 2.318 709 F HA 0.383 4.905 4.527 -0.009 0.000 0.356 709 F C -0.292 175.635 175.800 0.212 0.000 1.109 709 F CA -0.612 57.425 58.000 0.061 0.000 1.234 709 F CB -0.083 38.894 39.000 -0.038 0.000 1.545 709 F HN -0.014 nan 8.300 nan 0.000 0.534 710 I N 3.611 124.383 120.570 0.336 0.000 2.472 710 I HA 0.372 4.536 4.170 -0.009 0.000 0.290 710 I C -0.047 176.265 176.117 0.324 0.000 1.016 710 I CA -0.648 60.822 61.300 0.283 0.000 1.348 710 I CB 0.647 38.733 38.000 0.144 0.000 1.417 710 I HN 0.345 nan 8.210 nan 0.000 0.521 711 F N 2.204 122.215 119.950 0.101 0.000 2.779 711 F HA 0.836 5.358 4.527 -0.010 0.000 0.316 711 F C -0.027 175.809 175.800 0.060 0.000 1.164 711 F CA -0.504 57.546 58.000 0.083 0.000 0.924 711 F CB 0.969 40.031 39.000 0.104 0.000 1.348 711 F HN 0.822 nan 8.300 nan 0.000 0.467 712 G N 0.857 109.676 108.800 0.033 0.000 2.796 712 G HA2 -0.073 3.882 3.960 -0.009 0.000 0.571 712 G HA3 -0.073 3.882 3.960 -0.009 0.000 0.571 712 G C -0.839 174.011 174.900 -0.083 0.000 1.370 712 G CA -0.551 44.499 45.100 -0.082 0.000 0.856 712 G HN 0.954 nan 8.290 nan 0.000 0.538 713 M N 0.061 119.626 119.600 -0.058 0.000 2.248 713 M HA 0.390 4.864 4.480 -0.009 0.000 0.337 713 M C 1.048 177.304 176.300 -0.073 0.000 1.121 713 M CA 0.178 55.457 55.300 -0.035 0.000 1.155 713 M CB 0.508 33.098 32.600 -0.016 0.000 1.514 713 M HN 0.568 nan 8.290 nan 0.000 0.452 714 R N 0.689 121.163 120.500 -0.045 0.000 2.608 714 R HA 0.325 4.659 4.340 -0.009 0.000 0.255 714 R C 1.047 177.324 176.300 -0.040 0.000 1.086 714 R CA -0.525 55.544 56.100 -0.051 0.000 1.125 714 R CB 0.354 30.632 30.300 -0.036 0.000 1.193 714 R HN 0.564 nan 8.270 nan 0.000 0.553 715 V N 1.188 121.078 119.914 -0.040 0.000 2.282 715 V HA -0.280 3.835 4.120 -0.009 0.000 0.249 715 V C 1.559 177.639 176.094 -0.022 0.000 1.057 715 V CA 2.118 64.399 62.300 -0.032 0.000 1.032 715 V CB -0.491 31.312 31.823 -0.034 0.000 0.645 715 V HN 0.647 nan 8.190 nan 0.000 0.447 716 E N 0.228 120.417 120.200 -0.018 0.000 2.118 716 E HA -0.195 4.150 4.350 -0.009 0.000 0.195 716 E C 1.964 178.565 176.600 0.002 0.000 0.992 716 E CA 1.472 57.867 56.400 -0.009 0.000 0.804 716 E CB -0.417 29.279 29.700 -0.007 0.000 0.741 716 E HN 0.639 nan 8.360 nan 0.000 0.458 717 D N -0.119 120.283 120.400 0.004 0.000 2.144 717 D HA -0.096 4.538 4.640 -0.009 0.000 0.200 717 D C 1.971 178.283 176.300 0.022 0.000 0.978 717 D CA 0.838 54.850 54.000 0.021 0.000 0.833 717 D CB -0.025 40.790 40.800 0.025 0.000 0.961 717 D HN 0.070 nan 8.370 nan 0.000 0.470 718 V N 1.960 121.875 119.914 0.000 0.000 2.295 718 V HA -0.206 3.908 4.120 -0.009 0.000 0.246 718 V C 2.022 178.116 176.094 -0.000 0.000 1.049 718 V CA 1.656 63.949 62.300 -0.011 0.000 1.024 718 V CB -0.378 31.429 31.823 -0.028 0.000 0.648 718 V HN 0.051 nan 8.190 nan 0.000 0.447 719 D N -0.213 120.187 120.400 -0.000 0.000 2.117 719 D HA -0.143 4.492 4.640 -0.009 0.000 0.197 719 D C 2.409 178.721 176.300 0.020 0.000 0.987 719 D CA 1.118 55.121 54.000 0.004 0.000 0.829 719 D CB -0.272 40.526 40.800 -0.002 0.000 0.961 719 D HN 0.334 nan 8.370 nan 0.000 0.460 720 R N 0.326 120.842 120.500 0.027 0.000 2.083 720 R HA -0.079 4.256 4.340 -0.009 0.000 0.237 720 R C 2.556 178.892 176.300 0.060 0.000 1.137 720 R CA 0.512 56.636 56.100 0.040 0.000 0.951 720 R CB -0.601 29.724 30.300 0.042 0.000 0.851 720 R HN 0.245 nan 8.270 nan 0.000 0.434 721 L N 0.845 122.113 121.223 0.075 0.000 2.083 721 L HA -0.220 4.114 4.340 -0.009 0.000 0.209 721 L C 1.680 178.618 176.870 0.113 0.000 1.083 721 L CA 1.411 56.323 54.840 0.120 0.000 0.752 721 L CB -0.322 41.820 42.059 0.138 0.000 0.899 721 L HN 0.216 nan 8.230 nan 0.000 0.433 722 D N -0.936 119.505 120.400 0.069 0.000 2.144 722 D HA -0.161 4.473 4.640 -0.009 0.000 0.200 722 D C 2.277 178.610 176.300 0.055 0.000 0.978 722 D CA 0.771 54.806 54.000 0.059 0.000 0.833 722 D CB 0.018 40.831 40.800 0.023 0.000 0.961 722 D HN 0.370 nan 8.370 nan 0.000 0.470 723 Q N 0.627 120.455 119.800 0.046 0.000 2.020 723 Q HA -0.129 4.206 4.340 -0.009 0.000 0.202 723 Q C 2.294 178.322 176.000 0.047 0.000 0.982 723 Q CA 0.950 56.776 55.803 0.038 0.000 0.838 723 Q CB -0.450 28.308 28.738 0.032 0.000 0.899 723 Q HN 0.292 nan 8.270 nan 0.000 0.423 724 R N -0.147 120.388 120.500 0.059 0.000 2.073 724 R HA -0.046 4.289 4.340 -0.009 0.000 0.234 724 R C 0.134 176.476 176.300 0.070 0.000 1.134 724 R CA 1.114 57.252 56.100 0.063 0.000 0.952 724 R CB -0.004 30.342 30.300 0.076 0.000 0.850 724 R HN 0.400 nan 8.270 nan 0.000 0.433 725 G N -0.687 108.172 108.800 0.097 0.000 3.438 725 G HA2 -0.227 3.727 3.960 -0.009 0.000 0.684 725 G HA3 -0.227 3.727 3.960 -0.009 0.000 0.684 725 G C -1.399 173.598 174.900 0.161 0.000 1.192 725 G CA -0.504 44.661 45.100 0.108 0.000 1.013 725 G HN 0.277 nan 8.290 nan 0.000 0.530 726 Y N 3.899 124.237 120.300 0.063 0.000 2.480 726 Y HA 0.515 5.060 4.550 -0.009 0.000 0.341 726 Y C 0.408 176.371 175.900 0.104 0.000 1.031 726 Y CA -0.769 57.388 58.100 0.095 0.000 1.295 726 Y CB 0.821 39.319 38.460 0.063 0.000 1.162 726 Y HN 0.552 nan 8.280 nan 0.000 0.523 727 N N 5.332 123.810 118.700 -0.370 0.000 2.569 727 N HA 0.259 4.993 4.740 -0.009 0.000 0.254 727 N C 0.253 175.519 175.510 -0.407 0.000 1.004 727 N CA 0.353 53.203 53.050 -0.334 0.000 0.904 727 N CB 1.493 39.913 38.487 -0.112 0.000 1.165 727 N HN 0.875 nan 8.380 nan 0.000 0.513 728 A N 3.052 125.528 122.820 -0.574 0.000 1.978 728 A HA -0.229 4.086 4.320 -0.009 0.000 0.220 728 A C 1.943 179.659 177.584 0.219 0.000 1.170 728 A CA 1.483 53.429 52.037 -0.153 0.000 0.636 728 A CB -0.354 18.493 19.000 -0.254 0.000 0.810 728 A HN 0.746 nan 8.150 nan 0.000 0.448 729 Q N 0.229 120.056 119.800 0.045 0.000 2.152 729 Q HA -0.242 4.093 4.340 -0.009 0.000 0.206 729 Q C 1.895 177.971 176.000 0.126 0.000 0.985 729 Q CA 2.349 58.194 55.803 0.070 0.000 0.863 729 Q CB -0.383 28.351 28.738 -0.006 0.000 0.904 729 Q HN 0.783 nan 8.270 nan 0.000 0.422 730 E N -1.401 118.820 120.200 0.034 0.000 2.070 730 E HA -0.248 4.096 4.350 -0.009 0.000 0.197 730 E C 1.576 178.116 176.600 -0.100 0.000 1.004 730 E CA 1.540 57.890 56.400 -0.082 0.000 0.805 730 E CB -0.245 29.313 29.700 -0.236 0.000 0.744 730 E HN 0.599 nan 8.360 nan 0.000 0.451 731 Y N -1.152 119.218 120.300 0.117 0.000 2.242 731 Y HA -0.191 4.354 4.550 -0.009 0.000 0.291 731 Y C 2.193 178.093 175.900 0.000 0.000 1.137 731 Y CA 1.438 59.591 58.100 0.088 0.000 1.181 731 Y CB -0.609 37.951 38.460 0.167 0.000 0.989 731 Y HN 0.241 nan 8.280 nan 0.000 0.527 732 Y N 1.246 121.578 120.300 0.053 0.000 2.224 732 Y HA -0.244 4.300 4.550 -0.009 0.000 0.289 732 Y C 1.706 177.573 175.900 -0.055 0.000 1.146 732 Y CA 1.702 59.756 58.100 -0.077 0.000 1.182 732 Y CB -0.337 38.131 38.460 0.014 0.000 0.983 732 Y HN 0.096 nan 8.280 nan 0.000 0.524 733 D N -0.362 120.154 120.400 0.192 0.000 2.194 733 D HA -0.063 4.571 4.640 -0.009 0.000 0.204 733 D C 1.786 178.077 176.300 -0.015 0.000 0.964 733 D CA 0.989 55.045 54.000 0.094 0.000 0.846 733 D CB -0.056 40.804 40.800 0.100 0.000 0.962 733 D HN 0.486 nan 8.370 nan 0.000 0.490 734 R N 0.033 120.517 120.500 -0.026 0.000 2.312 734 R HA 0.268 4.602 4.340 -0.009 0.000 0.205 734 R C 0.472 176.753 176.300 -0.033 0.000 0.904 734 R CA 0.111 56.191 56.100 -0.033 0.000 1.052 734 R CB 1.053 31.330 30.300 -0.039 0.000 1.014 734 R HN 0.144 nan 8.270 nan 0.000 0.503 735 I N 2.269 122.799 120.570 -0.067 0.000 2.464 735 I HA 0.219 4.383 4.170 -0.009 0.000 0.277 735 I C -1.926 174.094 176.117 -0.162 0.000 1.040 735 I CA -2.382 58.877 61.300 -0.068 0.000 1.153 735 I CB 2.150 40.135 38.000 -0.025 0.000 1.274 735 I HN -0.296 nan 8.210 nan 0.000 0.469 736 P HA -0.192 nan 4.420 nan 0.000 0.216 736 P C 1.176 178.377 177.300 -0.165 0.000 1.153 736 P CA 1.488 64.498 63.100 -0.150 0.000 0.858 736 P CB 0.299 31.945 31.700 -0.090 0.000 0.789 737 E N -1.080 119.059 120.200 -0.102 0.000 2.110 737 E HA -0.169 4.176 4.350 -0.009 0.000 0.193 737 E C 1.891 178.380 176.600 -0.185 0.000 0.988 737 E CA 0.725 57.078 56.400 -0.078 0.000 0.804 737 E CB -0.623 29.106 29.700 0.048 0.000 0.745 737 E HN 0.123 nan 8.360 nan 0.000 0.458 738 L N 1.337 122.359 121.223 -0.336 0.000 2.056 738 L HA -0.134 4.200 4.340 -0.009 0.000 0.207 738 L C 2.372 178.937 176.870 -0.507 0.000 1.078 738 L CA 1.650 56.115 54.840 -0.626 0.000 0.749 738 L CB -0.338 41.207 42.059 -0.857 0.000 0.901 738 L HN -0.083 nan 8.230 nan 0.000 0.433 739 R N -0.736 119.439 120.500 -0.542 0.000 2.083 739 R HA -0.255 4.079 4.340 -0.009 0.000 0.237 739 R C 2.400 178.491 176.300 -0.348 0.000 1.137 739 R CA 2.055 57.732 56.100 -0.706 0.000 0.951 739 R CB -0.404 29.435 30.300 -0.768 0.000 0.851 739 R HN 0.644 nan 8.270 nan 0.000 0.434 740 Q N 0.456 120.106 119.800 -0.250 0.000 2.096 740 Q HA -0.194 4.140 4.340 -0.009 0.000 0.204 740 Q C 2.045 177.973 176.000 -0.120 0.000 0.982 740 Q CA 2.001 57.708 55.803 -0.159 0.000 0.850 740 Q CB -0.135 28.518 28.738 -0.143 0.000 0.901 740 Q HN 0.497 nan 8.270 nan 0.000 0.422 741 I N 0.563 121.059 120.570 -0.123 0.000 2.179 741 I HA -0.276 3.889 4.170 -0.009 0.000 0.242 741 I C 2.166 178.291 176.117 0.013 0.000 1.088 741 I CA 0.666 61.936 61.300 -0.050 0.000 1.357 741 I CB -0.328 37.623 38.000 -0.081 0.000 1.051 741 I HN 0.309 nan 8.210 nan 0.000 0.409 742 I N 0.922 121.496 120.570 0.006 0.000 2.286 742 I HA -0.251 3.914 4.170 -0.009 0.000 0.248 742 I C 2.424 178.634 176.117 0.154 0.000 1.115 742 I CA 1.711 63.092 61.300 0.134 0.000 1.392 742 I CB -1.263 36.908 38.000 0.286 0.000 1.065 742 I HN 0.369 nan 8.210 nan 0.000 0.418 743 E N 0.242 120.507 120.200 0.109 0.000 2.208 743 E HA -0.197 4.148 4.350 -0.009 0.000 0.193 743 E C 2.118 178.773 176.600 0.093 0.000 0.988 743 E CA 0.655 57.118 56.400 0.106 0.000 0.828 743 E CB -0.080 29.657 29.700 0.062 0.000 0.763 743 E HN 0.609 nan 8.360 nan 0.000 0.478 744 Q N 0.553 120.388 119.800 0.057 0.000 2.079 744 Q HA -0.093 4.242 4.340 -0.009 0.000 0.200 744 Q C 2.369 178.523 176.000 0.257 0.000 0.974 744 Q CA 0.905 56.743 55.803 0.058 0.000 0.840 744 Q CB -0.023 28.635 28.738 -0.133 0.000 0.898 744 Q HN 0.287 nan 8.270 nan 0.000 0.430 745 L N 0.079 121.473 121.223 0.284 0.000 2.017 745 L HA -0.195 4.140 4.340 -0.009 0.000 0.208 745 L C 2.441 179.494 176.870 0.305 0.000 1.073 745 L CA 1.025 56.064 54.840 0.331 0.000 0.745 745 L CB -0.382 41.793 42.059 0.194 0.000 0.894 745 L HN 0.142 nan 8.230 nan 0.000 0.432 746 S N -0.325 115.509 115.700 0.222 0.000 2.383 746 S HA -0.142 4.322 4.470 -0.009 0.000 0.227 746 S C 2.066 176.767 174.600 0.168 0.000 1.026 746 S CA 1.480 59.791 58.200 0.186 0.000 0.981 746 S CB -0.213 63.078 63.200 0.150 0.000 0.818 746 S HN 0.607 nan 8.310 nan 0.000 0.472 747 S N 0.400 116.201 115.700 0.168 0.000 2.562 747 S HA 0.327 4.792 4.470 -0.009 0.000 0.221 747 S C 1.440 176.131 174.600 0.152 0.000 0.975 747 S CA 0.630 58.915 58.200 0.142 0.000 0.918 747 S CB -0.094 63.183 63.200 0.128 0.000 0.772 747 S HN 0.794 nan 8.310 nan 0.000 0.531 748 G N 0.749 109.673 108.800 0.207 0.000 2.130 748 G HA2 -0.291 3.664 3.960 -0.009 0.000 0.216 748 G HA3 -0.291 3.664 3.960 -0.009 0.000 0.216 748 G C 0.175 175.175 174.900 0.167 0.000 0.999 748 G CA 0.118 45.332 45.100 0.191 0.000 0.686 748 G HN 0.534 nan 8.290 nan 0.000 0.515 749 F N 0.303 120.261 119.950 0.014 0.000 2.161 749 F HA 0.188 4.710 4.527 -0.009 0.000 0.300 749 F C 1.813 177.440 175.800 -0.287 0.000 1.089 749 F CA 1.898 59.790 58.000 -0.180 0.000 1.282 749 F CB -0.060 38.751 39.000 -0.315 0.000 1.010 749 F HN 0.161 nan 8.300 nan 0.000 0.485 750 F N -0.204 119.911 119.950 0.276 0.000 2.693 750 F HA 0.213 4.734 4.527 -0.009 0.000 0.303 750 F C 0.672 176.593 175.800 0.202 0.000 1.097 750 F CA 0.282 58.393 58.000 0.186 0.000 1.330 750 F CB -0.128 38.993 39.000 0.201 0.000 1.067 750 F HN 0.005 nan 8.300 nan 0.000 0.565 751 S N -1.982 113.880 115.700 0.270 0.000 2.564 751 S HA 0.329 4.794 4.470 -0.009 0.000 0.141 751 S C -2.503 172.127 174.600 0.050 0.000 1.474 751 S CA -1.043 57.242 58.200 0.142 0.000 1.236 751 S CB 0.936 64.179 63.200 0.072 0.000 1.481 751 S HN -0.187 nan 8.310 nan 0.000 0.397 752 P HA -0.151 nan 4.420 nan 0.000 0.212 752 P C 1.321 178.616 177.300 -0.009 0.000 1.178 752 P CA 1.550 64.635 63.100 -0.025 0.000 0.915 752 P CB 0.080 31.744 31.700 -0.061 0.000 0.788 753 K N -0.953 119.441 120.400 -0.009 0.000 2.147 753 K HA -0.119 4.196 4.320 -0.009 0.000 0.205 753 K C 0.691 177.290 176.600 -0.001 0.000 1.049 753 K CA 1.091 57.376 56.287 -0.004 0.000 0.936 753 K CB -0.234 32.266 32.500 -0.001 0.000 0.722 753 K HN 0.373 nan 8.250 nan 0.000 0.446 754 Q N -0.398 119.399 119.800 -0.005 0.000 2.907 754 Q HA 0.149 4.484 4.340 -0.009 0.000 0.262 754 Q C -2.328 173.664 176.000 -0.012 0.000 0.997 754 Q CA -1.604 54.191 55.803 -0.014 0.000 0.797 754 Q CB 1.637 30.357 28.738 -0.031 0.000 1.228 754 Q HN -0.077 nan 8.270 nan 0.000 0.466 755 P HA -0.226 nan 4.420 nan 0.000 0.216 755 P C 0.630 177.968 177.300 0.063 0.000 1.150 755 P CA 1.463 64.593 63.100 0.050 0.000 0.843 755 P CB 0.231 31.959 31.700 0.046 0.000 0.787 756 D N -1.431 118.990 120.400 0.035 0.000 2.368 756 D HA -0.007 4.628 4.640 -0.009 0.000 0.218 756 D C 1.599 177.903 176.300 0.006 0.000 1.112 756 D CA -0.218 53.812 54.000 0.049 0.000 0.834 756 D CB -0.769 40.060 40.800 0.048 0.000 0.953 756 D HN 0.015 nan 8.370 nan 0.000 0.505 757 L N 0.032 121.197 121.223 -0.098 0.000 2.089 757 L HA -0.092 4.243 4.340 -0.009 0.000 0.213 757 L C 1.029 177.691 176.870 -0.346 0.000 1.079 757 L CA 1.693 56.363 54.840 -0.284 0.000 0.758 757 L CB -0.693 41.031 42.059 -0.559 0.000 0.891 757 L HN 0.002 nan 8.230 nan 0.000 0.433 758 F N -0.455 119.556 119.950 0.101 0.000 2.730 758 F HA 0.150 4.672 4.527 -0.009 0.000 0.295 758 F C 1.824 177.678 175.800 0.090 0.000 1.143 758 F CA -0.162 57.887 58.000 0.083 0.000 1.367 758 F CB -0.301 38.738 39.000 0.064 0.000 0.970 758 F HN 0.118 nan 8.300 nan 0.000 0.514 759 K N -0.362 120.158 120.400 0.199 0.000 2.097 759 K HA -0.170 4.145 4.320 -0.009 0.000 0.206 759 K C 0.946 177.646 176.600 0.168 0.000 1.049 759 K CA 1.886 58.272 56.287 0.165 0.000 0.933 759 K CB -0.230 32.343 32.500 0.122 0.000 0.717 759 K HN 0.100 nan 8.250 nan 0.000 0.442 760 D N 1.478 121.992 120.400 0.191 0.000 2.117 760 D HA -0.102 4.533 4.640 -0.009 0.000 0.197 760 D C 2.118 178.521 176.300 0.171 0.000 0.987 760 D CA 1.227 55.351 54.000 0.207 0.000 0.829 760 D CB -0.152 40.817 40.800 0.283 0.000 0.961 760 D HN 0.312 nan 8.370 nan 0.000 0.460 761 I N 0.673 121.348 120.570 0.175 0.000 2.142 761 I HA -0.230 3.935 4.170 -0.009 0.000 0.240 761 I C 2.509 178.654 176.117 0.047 0.000 1.078 761 I CA 0.707 62.070 61.300 0.105 0.000 1.343 761 I CB -0.352 37.711 38.000 0.106 0.000 1.046 761 I HN -0.114 nan 8.210 nan 0.000 0.405 762 V N 1.057 121.023 119.914 0.086 0.000 2.332 762 V HA -0.338 3.776 4.120 -0.009 0.000 0.248 762 V C 2.200 178.273 176.094 -0.033 0.000 1.055 762 V CA 2.503 64.835 62.300 0.054 0.000 1.038 762 V CB -1.060 30.826 31.823 0.106 0.000 0.651 762 V HN 0.528 nan 8.190 nan 0.000 0.450 763 N N -0.593 118.115 118.700 0.013 0.000 2.104 763 N HA -0.242 4.493 4.740 -0.009 0.000 0.190 763 N C 2.027 177.406 175.510 -0.218 0.000 1.024 763 N CA 1.534 54.594 53.050 0.015 0.000 0.853 763 N CB -0.129 38.451 38.487 0.156 0.000 1.008 763 N HN 0.352 nan 8.380 nan 0.000 0.424 764 M N 0.612 120.032 119.600 -0.299 0.000 2.086 764 M HA -0.135 4.340 4.480 -0.009 0.000 0.261 764 M C 1.739 177.749 176.300 -0.484 0.000 1.067 764 M CA 1.306 56.189 55.300 -0.695 0.000 1.116 764 M CB -0.654 31.818 32.600 -0.213 0.000 1.348 764 M HN 0.216 nan 8.290 nan 0.000 0.407 765 L N 0.746 121.777 121.223 -0.321 0.000 2.042 765 L HA -0.220 4.115 4.340 -0.009 0.000 0.210 765 L C 2.456 178.980 176.870 -0.577 0.000 1.076 765 L CA 1.685 56.260 54.840 -0.442 0.000 0.749 765 L CB -1.055 40.796 42.059 -0.346 0.000 0.893 765 L HN 0.352 nan 8.230 nan 0.000 0.432 766 M N -2.032 117.285 119.600 -0.472 0.000 2.288 766 M HA -0.058 4.417 4.480 -0.009 0.000 0.266 766 M C 1.868 177.770 176.300 -0.662 0.000 1.072 766 M CA 1.378 56.333 55.300 -0.574 0.000 1.132 766 M CB -0.792 31.371 32.600 -0.728 0.000 1.386 766 M HN 0.334 nan 8.290 nan 0.000 0.432 767 H N -1.852 117.118 119.070 -0.166 0.000 2.800 767 H HA 0.179 4.730 4.556 -0.009 0.000 0.257 767 H C 0.177 175.516 175.328 0.018 0.000 0.967 767 H CA 0.690 56.700 56.048 -0.065 0.000 1.192 767 H CB 0.158 29.932 29.762 0.020 0.000 1.441 767 H HN 0.561 nan 8.280 nan 0.000 0.461 768 H N -1.170 117.956 119.070 0.094 0.000 2.712 768 H HA 0.301 4.852 4.556 -0.009 0.000 0.226 768 H C -1.192 174.160 175.328 0.039 0.000 1.422 768 H CA -0.690 55.402 56.048 0.073 0.000 1.270 768 H CB -0.023 29.785 29.762 0.077 0.000 1.891 768 H HN -0.131 nan 8.280 nan 0.000 0.518 769 D N 1.427 121.840 120.400 0.023 0.000 2.441 769 D HA 0.133 4.767 4.640 -0.009 0.000 0.221 769 D C 0.837 177.089 176.300 -0.079 0.000 1.156 769 D CA -0.453 53.541 54.000 -0.011 0.000 0.896 769 D CB 0.669 41.438 40.800 -0.051 0.000 1.028 769 D HN 0.505 nan 8.370 nan 0.000 0.509 770 R N 2.206 122.570 120.500 -0.227 0.000 2.241 770 R HA -0.061 4.274 4.340 -0.009 0.000 0.224 770 R C 0.597 176.381 176.300 -0.860 0.000 1.101 770 R CA 0.885 56.639 56.100 -0.577 0.000 0.995 770 R CB 0.074 29.852 30.300 -0.870 0.000 0.870 770 R HN 0.404 nan 8.270 nan 0.000 0.463 771 F N 0.405 120.323 119.950 -0.054 0.000 2.639 771 F HA 0.253 4.774 4.527 -0.009 0.000 0.302 771 F C 0.104 175.776 175.800 -0.214 0.000 1.097 771 F CA -0.639 57.306 58.000 -0.092 0.000 1.294 771 F CB 0.158 39.162 39.000 0.007 0.000 1.027 771 F HN -0.240 nan 8.300 nan 0.000 0.550 772 K N -0.420 119.771 120.400 -0.348 0.000 3.257 772 K HA -0.181 4.133 4.320 -0.009 0.000 0.270 772 K C 1.007 177.478 176.600 -0.216 0.000 0.984 772 K CA 0.185 56.094 56.287 -0.630 0.000 0.739 772 K CB -1.875 30.189 32.500 -0.727 0.000 1.351 772 K HN 0.208 nan 8.250 nan 0.000 0.463 773 V N 0.107 119.976 119.914 -0.076 0.000 2.255 773 V HA -0.296 3.819 4.120 -0.009 0.000 0.247 773 V C 1.978 178.202 176.094 0.217 0.000 1.051 773 V CA 2.362 64.698 62.300 0.059 0.000 1.018 773 V CB -0.488 31.368 31.823 0.054 0.000 0.641 773 V HN 0.510 nan 8.190 nan 0.000 0.445 774 F N 0.194 120.145 119.950 0.001 0.000 2.171 774 F HA -0.209 4.313 4.527 -0.009 0.000 0.300 774 F C 2.535 178.115 175.800 -0.367 0.000 1.090 774 F CA 0.671 58.615 58.000 -0.093 0.000 1.293 774 F CB -0.435 38.530 39.000 -0.059 0.000 1.013 774 F HN 0.209 nan 8.300 nan 0.000 0.486 775 A N -0.496 122.145 122.820 -0.298 0.000 2.024 775 A HA -0.210 4.105 4.320 -0.009 0.000 0.220 775 A C 1.429 178.991 177.584 -0.037 0.000 1.164 775 A CA 1.962 53.743 52.037 -0.426 0.000 0.643 775 A CB -0.464 18.431 19.000 -0.175 0.000 0.806 775 A HN 0.262 nan 8.150 nan 0.000 0.451 776 D N -3.011 117.435 120.400 0.076 0.000 2.398 776 D HA 0.103 4.737 4.640 -0.009 0.000 0.210 776 D C 1.086 177.555 176.300 0.283 0.000 1.094 776 D CA -0.115 54.007 54.000 0.204 0.000 0.839 776 D CB -0.081 40.847 40.800 0.213 0.000 0.963 776 D HN 0.580 nan 8.370 nan 0.000 0.506 777 Y N 2.176 122.558 120.300 0.136 0.000 2.097 777 Y HA -0.221 4.324 4.550 -0.009 0.000 0.282 777 Y C 2.106 178.091 175.900 0.142 0.000 1.152 777 Y CA 1.903 60.095 58.100 0.154 0.000 1.136 777 Y CB 0.194 38.709 38.460 0.091 0.000 0.975 777 Y HN -0.111 nan 8.280 nan 0.000 0.498 778 E N -0.027 120.268 120.200 0.159 0.000 2.038 778 E HA -0.282 4.063 4.350 -0.009 0.000 0.195 778 E C 2.237 178.815 176.600 -0.036 0.000 1.000 778 E CA 1.643 58.058 56.400 0.025 0.000 0.803 778 E CB -0.237 29.567 29.700 0.173 0.000 0.750 778 E HN 0.608 nan 8.360 nan 0.000 0.448 779 E N -0.361 119.893 120.200 0.090 0.000 2.153 779 E HA -0.205 4.140 4.350 -0.009 0.000 0.194 779 E C 1.918 178.517 176.600 -0.001 0.000 0.988 779 E CA 0.697 57.167 56.400 0.116 0.000 0.811 779 E CB -0.068 29.788 29.700 0.261 0.000 0.746 779 E HN 0.244 nan 8.360 nan 0.000 0.466 780 Y N 0.776 120.909 120.300 -0.278 0.000 2.114 780 Y HA -0.220 4.324 4.550 -0.009 0.000 0.284 780 Y C 2.053 177.546 175.900 -0.679 0.000 1.143 780 Y CA 1.178 58.774 58.100 -0.841 0.000 1.135 780 Y CB -0.556 37.490 38.460 -0.691 0.000 0.980 780 Y HN -0.171 nan 8.280 nan 0.000 0.499 781 V N 0.913 120.456 119.914 -0.618 0.000 2.332 781 V HA -0.325 3.789 4.120 -0.009 0.000 0.248 781 V C 2.308 178.147 176.094 -0.425 0.000 1.055 781 V CA 2.360 64.292 62.300 -0.614 0.000 1.038 781 V CB -0.611 30.883 31.823 -0.548 0.000 0.651 781 V HN 0.345 nan 8.190 nan 0.000 0.450 782 K N -0.914 119.312 120.400 -0.290 0.000 2.057 782 K HA -0.197 4.118 4.320 -0.009 0.000 0.206 782 K C 2.304 178.794 176.600 -0.184 0.000 1.050 782 K CA 1.667 57.851 56.287 -0.172 0.000 0.935 782 K CB -0.603 31.851 32.500 -0.078 0.000 0.715 782 K HN 0.524 nan 8.250 nan 0.000 0.439 783 C N 1.620 120.783 119.300 -0.229 0.000 2.425 783 C HA -0.098 4.357 4.460 -0.009 0.000 0.277 783 C C 2.646 177.434 174.990 -0.338 0.000 1.280 783 C CA 0.851 59.758 59.018 -0.185 0.000 1.744 783 C CB -0.661 26.984 27.740 -0.158 0.000 1.989 783 C HN 0.424 nan 8.230 nan 0.000 0.491 784 Q N 0.403 119.863 119.800 -0.566 0.000 2.226 784 Q HA -0.163 4.172 4.340 -0.009 0.000 0.204 784 Q C 2.002 177.785 176.000 -0.361 0.000 0.975 784 Q CA 1.573 57.004 55.803 -0.620 0.000 0.866 784 Q CB -0.365 27.756 28.738 -1.029 0.000 0.915 784 Q HN 0.768 nan 8.270 nan 0.000 0.440 785 E N 0.151 120.196 120.200 -0.258 0.000 2.106 785 E HA -0.116 4.229 4.350 -0.009 0.000 0.192 785 E C 2.021 178.562 176.600 -0.097 0.000 0.984 785 E CA 0.461 56.776 56.400 -0.142 0.000 0.806 785 E CB -0.018 29.621 29.700 -0.101 0.000 0.750 785 E HN 0.261 nan 8.360 nan 0.000 0.458 786 R N 0.507 120.952 120.500 -0.091 0.000 2.148 786 R HA -0.053 4.282 4.340 -0.009 0.000 0.223 786 R C 2.358 178.632 176.300 -0.043 0.000 1.088 786 R CA 0.626 56.733 56.100 0.012 0.000 0.985 786 R CB -0.135 30.240 30.300 0.125 0.000 0.880 786 R HN 0.047 nan 8.270 nan 0.000 0.451 787 V N 0.423 120.134 119.914 -0.337 0.000 2.270 787 V HA -0.225 3.890 4.120 -0.009 0.000 0.245 787 V C 2.132 178.202 176.094 -0.039 0.000 1.043 787 V CA 1.924 63.933 62.300 -0.485 0.000 1.014 787 V CB -0.351 31.080 31.823 -0.653 0.000 0.645 787 V HN 0.268 nan 8.190 nan 0.000 0.447 788 S N 0.220 115.865 115.700 -0.092 0.000 2.383 788 S HA -0.210 4.255 4.470 -0.009 0.000 0.229 788 S C 2.180 176.825 174.600 0.075 0.000 1.030 788 S CA 1.459 59.642 58.200 -0.029 0.000 1.002 788 S CB -0.508 62.649 63.200 -0.073 0.000 0.829 788 S HN 0.654 nan 8.310 nan 0.000 0.467 789 A N 1.153 124.019 122.820 0.077 0.000 1.877 789 A HA -0.034 4.281 4.320 -0.009 0.000 0.216 789 A C 2.108 179.797 177.584 0.174 0.000 1.186 789 A CA 1.339 53.443 52.037 0.112 0.000 0.620 789 A CB -0.671 18.387 19.000 0.095 0.000 0.822 789 A HN 0.423 nan 8.150 nan 0.000 0.443 790 L N -2.004 119.381 121.223 0.269 0.000 2.141 790 L HA -0.070 4.264 4.340 -0.009 0.000 0.209 790 L C 2.221 179.356 176.870 0.443 0.000 1.094 790 L CA 1.787 56.864 54.840 0.395 0.000 0.763 790 L CB -0.772 41.626 42.059 0.566 0.000 0.908 790 L HN 0.501 nan 8.230 nan 0.000 0.437 791 Y N 0.250 120.661 120.300 0.184 0.000 2.333 791 Y HA -0.227 4.318 4.550 -0.008 0.000 0.290 791 Y C 2.319 178.133 175.900 -0.143 0.000 1.144 791 Y CA 1.578 59.511 58.100 -0.278 0.000 1.228 791 Y CB -0.113 37.977 38.460 -0.617 0.000 0.985 791 Y HN 0.170 nan 8.280 nan 0.000 0.542 792 K N -0.139 120.277 120.400 0.027 0.000 2.362 792 K HA -0.112 4.203 4.320 -0.009 0.000 0.200 792 K C 0.419 176.990 176.600 -0.047 0.000 1.046 792 K CA 0.653 56.942 56.287 0.002 0.000 0.952 792 K CB -0.055 32.499 32.500 0.090 0.000 0.753 792 K HN 0.049 nan 8.250 nan 0.000 0.466 793 N N 0.513 119.204 118.700 -0.015 0.000 3.044 793 N HA 0.130 4.864 4.740 -0.009 0.000 0.254 793 N C -2.437 173.069 175.510 -0.005 0.000 1.253 793 N CA -2.095 50.957 53.050 0.003 0.000 0.944 793 N CB 1.068 39.593 38.487 0.063 0.000 1.217 793 N HN -0.177 nan 8.380 nan 0.000 0.498 794 P HA -0.244 nan 4.420 nan 0.000 0.219 794 P C 1.418 178.724 177.300 0.010 0.000 1.161 794 P CA 1.413 64.432 63.100 -0.135 0.000 0.909 794 P CB 0.318 31.916 31.700 -0.170 0.000 0.793 795 R N -0.160 120.347 120.500 0.013 0.000 2.073 795 R HA -0.170 4.165 4.340 -0.009 0.000 0.234 795 R C 1.973 178.318 176.300 0.074 0.000 1.134 795 R CA 1.534 57.657 56.100 0.037 0.000 0.952 795 R CB -0.427 29.887 30.300 0.022 0.000 0.850 795 R HN 0.111 nan 8.270 nan 0.000 0.433 796 E N -0.166 120.088 120.200 0.091 0.000 2.208 796 E HA -0.205 4.140 4.350 -0.009 0.000 0.193 796 E C 1.584 178.271 176.600 0.146 0.000 0.988 796 E CA 0.580 57.040 56.400 0.100 0.000 0.828 796 E CB -0.356 29.400 29.700 0.093 0.000 0.763 796 E HN 0.540 nan 8.360 nan 0.000 0.478 797 W N 2.108 123.412 121.300 0.008 0.000 2.379 797 W HA -0.129 4.524 4.660 -0.010 0.000 0.307 797 W C 1.498 178.032 176.519 0.025 0.000 1.200 797 W CA 1.817 59.186 57.345 0.040 0.000 1.297 797 W CB -0.344 29.123 29.460 0.012 0.000 1.140 797 W HN -0.002 nan 8.180 nan 0.000 0.507 798 T N 1.355 116.068 114.554 0.265 0.000 2.821 798 T HA -0.154 4.191 4.350 -0.009 0.000 0.267 798 T C 1.857 176.579 174.700 0.036 0.000 1.046 798 T CA 1.610 63.792 62.100 0.137 0.000 1.139 798 T CB -0.249 68.676 68.868 0.094 0.000 0.871 798 T HN 0.167 nan 8.240 nan 0.000 0.454 799 R N 0.480 121.005 120.500 0.043 0.000 2.096 799 R HA 0.089 4.423 4.340 -0.009 0.000 0.235 799 R C 2.484 178.782 176.300 -0.004 0.000 1.127 799 R CA 1.162 57.283 56.100 0.034 0.000 0.968 799 R CB -0.336 29.989 30.300 0.042 0.000 0.861 799 R HN 0.372 nan 8.270 nan 0.000 0.440 800 M N 0.528 120.092 119.600 -0.060 0.000 2.200 800 M HA -0.119 4.356 4.480 -0.009 0.000 0.265 800 M C 1.918 178.134 176.300 -0.140 0.000 1.066 800 M CA 1.294 56.520 55.300 -0.124 0.000 1.127 800 M CB 0.209 32.677 32.600 -0.220 0.000 1.379 800 M HN -0.030 nan 8.290 nan 0.000 0.420 801 V N 0.957 120.772 119.914 -0.164 0.000 2.287 801 V HA -0.314 3.801 4.120 -0.009 0.000 0.248 801 V C 2.219 178.298 176.094 -0.026 0.000 1.053 801 V CA 2.012 64.242 62.300 -0.117 0.000 1.027 801 V CB -0.609 31.175 31.823 -0.065 0.000 0.646 801 V HN 0.511 nan 8.190 nan 0.000 0.447 802 I N -0.538 120.037 120.570 0.010 0.000 2.264 802 I HA -0.260 3.904 4.170 -0.009 0.000 0.248 802 I C 2.669 178.836 176.117 0.084 0.000 1.111 802 I CA 1.534 62.884 61.300 0.084 0.000 1.382 802 I CB -0.386 37.709 38.000 0.159 0.000 1.060 802 I HN 0.232 nan 8.210 nan 0.000 0.418 803 R N 0.329 120.855 120.500 0.044 0.000 2.148 803 R HA -0.087 4.247 4.340 -0.009 0.000 0.227 803 R C 2.032 178.365 176.300 0.055 0.000 1.103 803 R CA 1.025 57.150 56.100 0.042 0.000 0.983 803 R CB -0.331 29.977 30.300 0.014 0.000 0.874 803 R HN 0.509 nan 8.270 nan 0.000 0.451 804 N N 0.707 119.434 118.700 0.044 0.000 2.132 804 N HA -0.062 4.673 4.740 -0.009 0.000 0.187 804 N C 1.950 177.521 175.510 0.102 0.000 1.038 804 N CA 1.093 54.193 53.050 0.083 0.000 0.846 804 N CB -0.012 38.498 38.487 0.037 0.000 1.012 804 N HN 0.093 nan 8.380 nan 0.000 0.429 805 I N 1.698 122.316 120.570 0.079 0.000 2.194 805 I HA -0.262 3.902 4.170 -0.009 0.000 0.246 805 I C 2.412 178.583 176.117 0.089 0.000 1.093 805 I CA 0.988 62.340 61.300 0.087 0.000 1.355 805 I CB -0.354 37.690 38.000 0.073 0.000 1.046 805 I HN 0.111 nan 8.210 nan 0.000 0.413 806 A N 0.316 123.188 122.820 0.087 0.000 2.067 806 A HA -0.149 4.165 4.320 -0.009 0.000 0.219 806 A C 2.062 179.684 177.584 0.064 0.000 1.158 806 A CA 1.980 54.060 52.037 0.071 0.000 0.661 806 A CB -0.783 18.262 19.000 0.075 0.000 0.801 806 A HN 0.542 nan 8.150 nan 0.000 0.452 807 T N -3.018 111.587 114.554 0.085 0.000 3.174 807 T HA 0.189 4.534 4.350 -0.009 0.000 0.269 807 T C 1.073 175.856 174.700 0.139 0.000 1.017 807 T CA 0.608 62.758 62.100 0.084 0.000 0.899 807 T CB -0.205 68.710 68.868 0.080 0.000 1.077 807 T HN 0.465 nan 8.240 nan 0.000 0.552 808 S N 0.016 115.819 115.700 0.173 0.000 2.593 808 S HA 0.267 4.732 4.470 -0.009 0.000 0.217 808 S C 2.174 176.886 174.600 0.187 0.000 0.966 808 S CA 0.223 58.602 58.200 0.297 0.000 0.914 808 S CB -0.569 62.790 63.200 0.264 0.000 0.776 808 S HN 0.520 nan 8.310 nan 0.000 0.523 809 G N 2.801 111.638 108.800 0.061 0.000 2.469 809 G HA2 -0.301 3.654 3.960 -0.009 0.000 0.219 809 G HA3 -0.301 3.654 3.960 -0.009 0.000 0.219 809 G C 1.318 176.155 174.900 -0.104 0.000 1.150 809 G CA 1.055 46.160 45.100 0.007 0.000 0.763 809 G HN 0.613 nan 8.290 nan 0.000 0.561 810 K N -0.112 120.102 120.400 -0.311 0.000 2.281 810 K HA -0.034 4.281 4.320 -0.009 0.000 0.203 810 K C 1.229 177.478 176.600 -0.585 0.000 1.046 810 K CA 0.719 56.691 56.287 -0.524 0.000 0.938 810 K CB -0.280 31.746 32.500 -0.790 0.000 0.737 810 K HN 0.415 nan 8.250 nan 0.000 0.458 811 F N 0.942 120.920 119.950 0.047 0.000 2.693 811 F HA 0.118 4.639 4.527 -0.010 0.000 0.303 811 F C 0.796 176.641 175.800 0.075 0.000 1.143 811 F CA -0.587 57.448 58.000 0.058 0.000 1.389 811 F CB 0.374 39.405 39.000 0.052 0.000 1.060 811 F HN -0.107 nan 8.300 nan 0.000 0.535 812 S N 0.208 115.984 115.700 0.127 0.000 2.545 812 S HA 0.096 4.560 4.470 -0.009 0.000 0.275 812 S C 1.405 176.085 174.600 0.132 0.000 1.299 812 S CA -0.287 57.990 58.200 0.128 0.000 1.048 812 S CB 0.929 64.174 63.200 0.075 0.000 0.938 812 S HN 0.324 nan 8.310 nan 0.000 0.496 813 S N 3.168 118.971 115.700 0.172 0.000 2.507 813 S HA -0.073 4.392 4.470 -0.009 0.000 0.235 813 S C 0.906 175.554 174.600 0.080 0.000 0.988 813 S CA 0.670 58.989 58.200 0.198 0.000 0.944 813 S CB -0.342 63.048 63.200 0.317 0.000 0.762 813 S HN 0.790 nan 8.310 nan 0.000 0.526 814 D N 1.824 122.258 120.400 0.057 0.000 2.144 814 D HA -0.063 4.572 4.640 -0.009 0.000 0.200 814 D C 2.107 178.408 176.300 0.001 0.000 0.978 814 D CA 0.709 54.721 54.000 0.020 0.000 0.833 814 D CB -0.299 40.511 40.800 0.017 0.000 0.961 814 D HN 0.293 nan 8.370 nan 0.000 0.470 815 R N 0.903 121.405 120.500 0.005 0.000 2.066 815 R HA -0.077 4.257 4.340 -0.009 0.000 0.232 815 R C 1.849 178.135 176.300 -0.023 0.000 1.131 815 R CA 1.314 57.402 56.100 -0.020 0.000 0.955 815 R CB -0.775 29.501 30.300 -0.040 0.000 0.851 815 R HN 0.096 nan 8.270 nan 0.000 0.432 816 T N 2.358 116.919 114.554 0.012 0.000 2.635 816 T HA -0.134 4.210 4.350 -0.009 0.000 0.267 816 T C 1.934 176.629 174.700 -0.009 0.000 1.040 816 T CA 1.501 63.622 62.100 0.036 0.000 1.156 816 T CB -0.154 68.803 68.868 0.149 0.000 0.863 816 T HN 0.111 nan 8.240 nan 0.000 0.430 817 I N 1.657 122.146 120.570 -0.134 0.000 2.286 817 I HA -0.104 4.061 4.170 -0.009 0.000 0.248 817 I C 2.892 178.963 176.117 -0.076 0.000 1.115 817 I CA 0.967 62.157 61.300 -0.183 0.000 1.392 817 I CB -1.610 36.281 38.000 -0.182 0.000 1.065 817 I HN 0.203 nan 8.210 nan 0.000 0.418 818 A N 0.147 122.939 122.820 -0.047 0.000 1.972 818 A HA -0.220 4.095 4.320 -0.009 0.000 0.219 818 A C 2.247 179.786 177.584 -0.075 0.000 1.169 818 A CA 1.296 53.313 52.037 -0.033 0.000 0.635 818 A CB -0.489 18.498 19.000 -0.023 0.000 0.810 818 A HN 0.505 nan 8.150 nan 0.000 0.446 819 Q N -1.880 117.855 119.800 -0.109 0.000 2.083 819 Q HA -0.148 4.186 4.340 -0.009 0.000 0.198 819 Q C 1.896 177.723 176.000 -0.289 0.000 0.969 819 Q CA 1.539 57.237 55.803 -0.175 0.000 0.838 819 Q CB -0.285 28.337 28.738 -0.193 0.000 0.900 819 Q HN 0.818 nan 8.270 nan 0.000 0.436 820 Y N 0.603 120.612 120.300 -0.484 0.000 2.145 820 Y HA -0.265 4.279 4.550 -0.009 0.000 0.286 820 Y C 2.469 177.795 175.900 -0.957 0.000 1.145 820 Y CA 1.276 58.839 58.100 -0.894 0.000 1.148 820 Y CB -0.395 37.230 38.460 -1.391 0.000 0.981 820 Y HN 0.152 nan 8.280 nan 0.000 0.507 821 A N 0.290 122.877 122.820 -0.389 0.000 1.883 821 A HA -0.220 4.094 4.320 -0.009 0.000 0.217 821 A C 2.240 179.835 177.584 0.019 0.000 1.186 821 A CA 2.030 54.083 52.037 0.026 0.000 0.624 821 A CB -0.530 18.567 19.000 0.162 0.000 0.822 821 A HN 0.425 nan 8.150 nan 0.000 0.444 822 R N -0.634 119.839 120.500 -0.046 0.000 2.093 822 R HA -0.015 4.319 4.340 -0.009 0.000 0.224 822 R C 1.764 178.040 176.300 -0.041 0.000 1.101 822 R CA 1.387 57.473 56.100 -0.023 0.000 0.979 822 R CB -0.181 30.102 30.300 -0.029 0.000 0.877 822 R HN 0.658 nan 8.270 nan 0.000 0.441 823 E N -0.341 119.794 120.200 -0.107 0.000 2.447 823 E HA 0.081 4.426 4.350 -0.009 0.000 0.195 823 E C 1.357 177.906 176.600 -0.085 0.000 1.028 823 E CA 0.476 56.818 56.400 -0.097 0.000 0.876 823 E CB 0.512 30.127 29.700 -0.142 0.000 0.885 823 E HN 0.321 nan 8.360 nan 0.000 0.500 824 I N -1.211 119.277 120.570 -0.137 0.000 3.878 824 I HA 0.020 4.185 4.170 -0.009 0.000 0.273 824 I C 1.265 177.512 176.117 0.216 0.000 1.165 824 I CA -0.109 61.165 61.300 -0.044 0.000 1.360 824 I CB 0.245 38.076 38.000 -0.283 0.000 1.539 824 I HN 0.106 nan 8.210 nan 0.000 0.447 825 W N 1.659 123.054 121.300 0.159 0.000 2.658 825 W HA 0.309 4.964 4.660 -0.009 0.000 0.263 825 W C 1.461 178.021 176.519 0.068 0.000 1.274 825 W CA 0.855 58.276 57.345 0.126 0.000 1.343 825 W CB -1.128 28.393 29.460 0.102 0.000 1.106 825 W HN 0.328 nan 8.180 nan 0.000 0.615 826 G N 1.186 110.128 108.800 0.237 0.000 2.256 826 G HA2 -0.083 3.872 3.960 -0.009 0.000 0.272 826 G HA3 -0.083 3.872 3.960 -0.009 0.000 0.272 826 G C -0.360 174.614 174.900 0.124 0.000 1.076 826 G CA 0.223 45.404 45.100 0.135 0.000 0.882 826 G HN 0.464 nan 8.290 nan 0.000 0.497 827 V N -4.340 115.664 119.914 0.150 0.000 3.007 827 V HA 0.902 5.017 4.120 -0.009 0.000 0.311 827 V C -0.445 175.708 176.094 0.099 0.000 1.120 827 V CA -1.676 60.693 62.300 0.116 0.000 0.980 827 V CB 2.348 34.250 31.823 0.131 0.000 1.033 827 V HN 0.141 nan 8.190 nan 0.000 0.429 828 E N 3.934 124.176 120.200 0.069 0.000 2.174 828 E HA 0.510 4.854 4.350 -0.009 0.000 0.282 828 E C -2.511 174.125 176.600 0.060 0.000 0.992 828 E CA -1.763 54.671 56.400 0.056 0.000 0.803 828 E CB 1.907 31.632 29.700 0.042 0.000 1.090 828 E HN 0.768 nan 8.360 nan 0.000 0.396 829 P HA 0.084 nan 4.420 nan 0.000 0.272 829 P C -0.476 176.853 177.300 0.049 0.000 1.223 829 P CA -0.281 62.853 63.100 0.057 0.000 0.784 829 P CB 1.057 32.786 31.700 0.048 0.000 0.923 830 S N 1.268 117.000 115.700 0.053 0.000 2.536 830 S HA 0.381 4.845 4.470 -0.009 0.000 0.287 830 S C 0.363 174.990 174.600 0.045 0.000 1.101 830 S CA -0.785 57.444 58.200 0.050 0.000 0.950 830 S CB 1.069 64.306 63.200 0.062 0.000 1.056 830 S HN 0.299 nan 8.310 nan 0.000 0.481 831 R N 2.285 122.807 120.500 0.036 0.000 2.507 831 R HA 0.197 4.532 4.340 -0.009 0.000 0.298 831 R C -0.244 176.069 176.300 0.022 0.000 0.999 831 R CA -0.044 56.075 56.100 0.032 0.000 1.082 831 R CB 0.359 30.678 30.300 0.031 0.000 1.246 831 R HN 0.684 nan 8.270 nan 0.000 0.553 832 Q N 1.060 120.873 119.800 0.022 0.000 2.304 832 Q HA 0.171 4.505 4.340 -0.009 0.000 0.260 832 Q C -0.303 175.691 176.000 -0.010 0.000 0.965 832 Q CA -0.158 55.650 55.803 0.008 0.000 0.898 832 Q CB 1.014 29.761 28.738 0.015 0.000 1.196 832 Q HN -0.328 nan 8.270 nan 0.000 0.402 833 R N 1.908 122.393 120.500 -0.025 0.000 2.347 833 R HA 0.242 4.576 4.340 -0.009 0.000 0.304 833 R C -0.441 175.820 176.300 -0.066 0.000 1.072 833 R CA 0.004 56.077 56.100 -0.046 0.000 0.980 833 R CB 0.227 30.498 30.300 -0.049 0.000 0.986 833 R HN 0.523 nan 8.270 nan 0.000 0.448 834 L N 5.673 126.841 121.223 -0.091 0.000 2.453 834 L HA 0.345 4.679 4.340 -0.009 0.000 0.261 834 L C -1.681 175.129 176.870 -0.100 0.000 1.179 834 L CA -1.904 52.852 54.840 -0.139 0.000 0.813 834 L CB 0.718 42.661 42.059 -0.193 0.000 1.110 834 L HN 0.407 nan 8.230 nan 0.000 0.466 835 P HA 0.013 nan 4.420 nan 0.000 0.269 835 P C -0.602 176.668 177.300 -0.048 0.000 1.217 835 P CA -0.144 62.920 63.100 -0.061 0.000 0.783 835 P CB 0.490 32.158 31.700 -0.053 0.000 0.898 836 A N 0.000 122.801 122.820 -0.031 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.009 0.000 0.244 836 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 836 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486