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 2qrh_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.982 176.000 -0.030 0.000 1.003 12 Q CA 0.000 55.772 55.803 -0.051 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.059 0.000 1.108 13 I N -0.499 120.058 120.570 -0.021 0.000 2.525 13 I HA 0.550 4.712 4.170 -0.013 0.000 0.301 13 I C 0.935 177.052 176.117 -0.001 0.000 0.992 13 I CA -0.272 61.024 61.300 -0.007 0.000 1.162 13 I CB 1.948 39.949 38.000 0.000 0.000 1.332 13 I HN 0.214 nan 8.210 nan 0.000 0.458 14 S N 3.441 119.146 115.700 0.008 0.000 2.359 14 S HA -0.160 4.302 4.470 -0.013 0.000 0.224 14 S C 1.754 176.362 174.600 0.015 0.000 1.035 14 S CA 2.044 60.250 58.200 0.011 0.000 1.018 14 S CB -0.524 62.687 63.200 0.019 0.000 0.876 14 S HN 0.784 nan 8.310 nan 0.000 0.448 15 V N -0.167 119.763 119.914 0.026 0.000 3.078 15 V HA 0.120 4.232 4.120 -0.013 0.000 0.265 15 V C 1.911 178.018 176.094 0.022 0.000 1.122 15 V CA 1.362 63.681 62.300 0.031 0.000 1.141 15 V CB -1.008 30.841 31.823 0.044 0.000 0.735 15 V HN 0.376 nan 8.190 nan 0.000 0.498 16 R N 1.080 121.585 120.500 0.007 0.000 2.310 16 R HA 0.441 4.773 4.340 -0.013 0.000 0.202 16 R C 1.154 177.444 176.300 -0.017 0.000 0.933 16 R CA 0.564 56.661 56.100 -0.004 0.000 1.054 16 R CB 0.125 30.419 30.300 -0.011 0.000 0.985 16 R HN 0.766 nan 8.270 nan 0.000 0.489 17 G N 0.651 109.441 108.800 -0.016 0.000 2.685 17 G HA2 -0.209 3.743 3.960 -0.013 0.000 0.387 17 G HA3 -0.209 3.743 3.960 -0.013 0.000 0.387 17 G C -0.960 173.924 174.900 -0.027 0.000 1.324 17 G CA -1.070 44.013 45.100 -0.028 0.000 0.878 17 G HN -0.039 nan 8.290 nan 0.000 0.527 18 L N 0.429 121.633 121.223 -0.031 0.000 2.375 18 L HA 0.678 5.010 4.340 -0.013 0.000 0.271 18 L C 1.213 178.068 176.870 -0.026 0.000 1.107 18 L CA 0.400 55.225 54.840 -0.025 0.000 0.806 18 L CB 1.097 43.142 42.059 -0.023 0.000 1.146 18 L HN 1.579 nan 8.230 nan 0.000 0.447 19 A N 2.239 125.046 122.820 -0.021 0.000 3.047 19 A HA 0.588 4.900 4.320 -0.013 0.000 0.337 19 A C 0.604 178.182 177.584 -0.009 0.000 1.143 19 A CA -0.362 51.664 52.037 -0.017 0.000 0.905 19 A CB -0.199 18.789 19.000 -0.019 0.000 1.088 19 A HN 0.782 nan 8.150 nan 0.000 0.488 20 G N -0.131 108.665 108.800 -0.007 0.000 2.483 20 G HA2 0.369 4.322 3.960 -0.013 0.000 0.248 20 G HA3 0.369 4.322 3.960 -0.013 0.000 0.248 20 G C 1.012 175.915 174.900 0.006 0.000 1.248 20 G CA -0.049 45.050 45.100 -0.001 0.000 0.838 20 G HN 0.445 nan 8.290 nan 0.000 0.566 21 V N 1.890 121.808 119.914 0.007 0.000 2.282 21 V HA -0.211 3.902 4.120 -0.013 0.000 0.249 21 V C 2.728 178.832 176.094 0.016 0.000 1.057 21 V CA 2.469 64.776 62.300 0.011 0.000 1.032 21 V CB -0.666 31.163 31.823 0.010 0.000 0.645 21 V HN 0.782 nan 8.190 nan 0.000 0.447 22 E N 0.390 120.600 120.200 0.017 0.000 2.058 22 E HA -0.196 4.147 4.350 -0.013 0.000 0.194 22 E C 2.089 178.710 176.600 0.034 0.000 0.997 22 E CA 1.659 58.074 56.400 0.024 0.000 0.801 22 E CB -0.338 29.375 29.700 0.022 0.000 0.746 22 E HN 0.603 nan 8.360 nan 0.000 0.450 23 N N -0.733 117.986 118.700 0.031 0.000 2.084 23 N HA -0.139 4.593 4.740 -0.013 0.000 0.190 23 N C 1.663 177.199 175.510 0.043 0.000 1.030 23 N CA 1.257 54.331 53.050 0.040 0.000 0.849 23 N CB -0.249 38.248 38.487 0.016 0.000 1.012 23 N HN -0.006 nan 8.380 nan 0.000 0.423 24 V N 0.242 120.173 119.914 0.028 0.000 2.343 24 V HA -0.223 3.889 4.120 -0.013 0.000 0.247 24 V C 2.057 178.172 176.094 0.036 0.000 1.051 24 V CA 1.916 64.232 62.300 0.027 0.000 1.036 24 V CB -0.982 30.852 31.823 0.018 0.000 0.654 24 V HN 0.397 nan 8.190 nan 0.000 0.451 25 T N -0.432 114.143 114.554 0.035 0.000 2.708 25 T HA -0.236 4.106 4.350 -0.013 0.000 0.266 25 T C 1.927 176.661 174.700 0.055 0.000 1.037 25 T CA 1.872 63.994 62.100 0.038 0.000 1.146 25 T CB -0.214 68.672 68.868 0.029 0.000 0.865 25 T HN 0.508 nan 8.240 nan 0.000 0.435 26 E N 0.983 121.222 120.200 0.066 0.000 2.072 26 E HA -0.021 4.321 4.350 -0.013 0.000 0.191 26 E C 2.032 178.708 176.600 0.127 0.000 0.985 26 E CA 0.910 57.362 56.400 0.087 0.000 0.801 26 E CB -0.530 29.226 29.700 0.093 0.000 0.750 26 E HN 0.446 nan 8.360 nan 0.000 0.452 27 L N 0.162 121.467 121.223 0.137 0.000 2.046 27 L HA -0.171 4.161 4.340 -0.013 0.000 0.208 27 L C 2.464 179.444 176.870 0.183 0.000 1.077 27 L CA 1.445 56.390 54.840 0.176 0.000 0.747 27 L CB -0.309 41.825 42.059 0.126 0.000 0.896 27 L HN 0.071 nan 8.230 nan 0.000 0.432 28 K N 0.413 120.882 120.400 0.114 0.000 2.057 28 K HA -0.206 4.106 4.320 -0.013 0.000 0.207 28 K C 2.150 178.852 176.600 0.170 0.000 1.049 28 K CA 1.698 58.044 56.287 0.098 0.000 0.931 28 K CB -0.070 32.448 32.500 0.031 0.000 0.714 28 K HN 0.379 nan 8.250 nan 0.000 0.440 29 K N 0.240 120.720 120.400 0.134 0.000 2.103 29 K HA -0.049 4.264 4.320 -0.013 0.000 0.204 29 K C 1.571 178.256 176.600 0.143 0.000 1.052 29 K CA 1.293 57.653 56.287 0.121 0.000 0.945 29 K CB -0.122 32.423 32.500 0.074 0.000 0.722 29 K HN -0.016 nan 8.250 nan 0.000 0.443 30 N N 0.512 119.307 118.700 0.159 0.000 2.244 30 N HA -0.112 4.621 4.740 -0.013 0.000 0.183 30 N C 1.576 177.239 175.510 0.255 0.000 1.016 30 N CA 0.907 54.046 53.050 0.148 0.000 0.866 30 N CB -0.276 38.310 38.487 0.166 0.000 0.980 30 N HN 0.218 nan 8.380 nan 0.000 0.430 31 F N 2.505 122.559 119.950 0.173 0.000 2.102 31 F HA -0.127 4.392 4.527 -0.013 0.000 0.298 31 F C 1.992 177.904 175.800 0.186 0.000 1.105 31 F CA 1.319 59.437 58.000 0.197 0.000 1.239 31 F CB -0.145 38.942 39.000 0.145 0.000 0.991 31 F HN -0.029 nan 8.300 nan 0.000 0.474 32 N N 0.430 119.371 118.700 0.401 0.000 2.244 32 N HA -0.178 4.554 4.740 -0.013 0.000 0.183 32 N C 2.003 177.610 175.510 0.161 0.000 1.016 32 N CA 1.105 54.316 53.050 0.268 0.000 0.866 32 N CB -0.547 38.073 38.487 0.222 0.000 0.980 32 N HN 0.380 nan 8.380 nan 0.000 0.430 33 R N 0.243 120.831 120.500 0.147 0.000 2.073 33 R HA -0.093 4.239 4.340 -0.013 0.000 0.234 33 R C 1.767 178.162 176.300 0.159 0.000 1.134 33 R CA 1.462 57.672 56.100 0.183 0.000 0.952 33 R CB -0.216 30.103 30.300 0.031 0.000 0.850 33 R HN 0.377 nan 8.270 nan 0.000 0.433 34 H N -0.405 118.711 119.070 0.077 0.000 2.389 34 H HA -0.117 4.431 4.556 -0.013 0.000 0.299 34 H C 1.863 177.133 175.328 -0.097 0.000 1.081 34 H CA 1.390 57.415 56.048 -0.038 0.000 1.345 34 H CB 0.099 29.796 29.762 -0.108 0.000 1.393 34 H HN 0.127 nan 8.280 nan 0.000 0.520 35 L N -0.083 121.133 121.223 -0.011 0.000 2.083 35 L HA -0.181 4.152 4.340 -0.013 0.000 0.209 35 L C 2.159 179.016 176.870 -0.021 0.000 1.083 35 L CA 1.813 56.618 54.840 -0.059 0.000 0.752 35 L CB -0.379 41.656 42.059 -0.039 0.000 0.899 35 L HN 0.304 nan 8.230 nan 0.000 0.433 36 H N -1.833 117.176 119.070 -0.101 0.000 2.287 36 H HA -0.033 4.515 4.556 -0.013 0.000 0.309 36 H C 1.789 176.935 175.328 -0.303 0.000 1.059 36 H CA 2.166 58.062 56.048 -0.254 0.000 1.357 36 H CB -0.256 29.267 29.762 -0.398 0.000 1.409 36 H HN 0.274 nan 8.280 nan 0.000 0.515 37 F N -0.433 119.505 119.950 -0.022 0.000 2.234 37 F HA -0.011 4.508 4.527 -0.013 0.000 0.296 37 F C 2.539 178.266 175.800 -0.123 0.000 1.089 37 F CA 1.363 59.309 58.000 -0.091 0.000 1.343 37 F CB -0.272 38.709 39.000 -0.032 0.000 1.040 37 F HN 0.179 nan 8.300 nan 0.000 0.498 38 T N -0.072 114.516 114.554 0.057 0.000 2.901 38 T HA 0.078 4.421 4.350 -0.013 0.000 0.252 38 T C 1.962 176.571 174.700 -0.152 0.000 1.035 38 T CA 0.807 62.861 62.100 -0.076 0.000 1.142 38 T CB -0.261 68.514 68.868 -0.155 0.000 0.869 38 T HN 0.108 nan 8.240 nan 0.000 0.442 39 L N 1.253 122.389 121.223 -0.145 0.000 2.477 39 L HA 0.191 4.523 4.340 -0.013 0.000 0.220 39 L C 0.402 177.179 176.870 -0.155 0.000 1.106 39 L CA -0.050 54.695 54.840 -0.158 0.000 0.851 39 L CB -0.120 41.856 42.059 -0.138 0.000 0.994 39 L HN 0.000 nan 8.230 nan 0.000 0.462 40 V N 0.615 120.418 119.914 -0.185 0.000 5.949 40 V HA -0.279 3.834 4.120 -0.013 0.000 0.287 40 V C -0.017 175.965 176.094 -0.186 0.000 0.603 40 V CA 1.145 63.306 62.300 -0.232 0.000 0.608 40 V CB -2.207 29.503 31.823 -0.187 0.000 0.259 40 V HN 0.427 nan 8.190 nan 0.000 0.742 41 K N 1.004 121.303 120.400 -0.167 0.000 2.480 41 K HA 0.743 5.055 4.320 -0.013 0.000 0.258 41 K C -0.525 176.042 176.600 -0.055 0.000 0.990 41 K CA -0.531 55.692 56.287 -0.107 0.000 0.857 41 K CB 2.762 35.198 32.500 -0.106 0.000 1.384 41 K HN 0.488 nan 8.250 nan 0.000 0.446 42 D N -0.574 119.817 120.400 -0.015 0.000 2.450 42 D HA 0.309 4.941 4.640 -0.013 0.000 0.238 42 D C 0.647 176.986 176.300 0.064 0.000 1.020 42 D CA -0.670 53.358 54.000 0.045 0.000 1.010 42 D CB 0.932 41.761 40.800 0.048 0.000 1.342 42 D HN 0.114 nan 8.370 nan 0.000 0.530 43 R N 0.026 120.598 120.500 0.119 0.000 2.249 43 R HA -0.032 4.300 4.340 -0.013 0.000 0.230 43 R C 0.987 177.367 176.300 0.133 0.000 1.121 43 R CA 0.534 56.745 56.100 0.184 0.000 0.997 43 R CB -0.670 29.743 30.300 0.187 0.000 0.867 43 R HN 0.509 nan 8.270 nan 0.000 0.465 44 N N 0.261 119.007 118.700 0.076 0.000 2.270 44 N HA -0.098 4.635 4.740 -0.013 0.000 0.181 44 N C 1.662 177.196 175.510 0.039 0.000 1.016 44 N CA 1.562 54.644 53.050 0.054 0.000 0.870 44 N CB 0.173 38.680 38.487 0.034 0.000 0.979 44 N HN 0.245 nan 8.380 nan 0.000 0.431 45 V N -3.016 116.909 119.914 0.017 0.000 3.477 45 V HA 0.541 4.653 4.120 -0.013 0.000 0.297 45 V C 0.736 176.805 176.094 -0.042 0.000 1.433 45 V CA -0.515 61.782 62.300 -0.006 0.000 1.052 45 V CB -0.293 31.521 31.823 -0.016 0.000 0.895 45 V HN 0.060 nan 8.190 nan 0.000 0.438 46 A N 2.183 124.957 122.820 -0.076 0.000 2.477 46 A HA 0.585 4.897 4.320 -0.013 0.000 0.246 46 A C 0.732 178.151 177.584 -0.275 0.000 1.078 46 A CA 0.789 52.673 52.037 -0.256 0.000 0.770 46 A CB -0.089 18.637 19.000 -0.458 0.000 1.011 46 A HN 0.835 nan 8.150 nan 0.000 0.494 47 T N 0.053 114.436 114.554 -0.284 0.000 2.948 47 T HA 0.578 4.921 4.350 -0.013 0.000 0.285 47 T C -2.131 172.497 174.700 -0.120 0.000 1.019 47 T CA -1.807 60.221 62.100 -0.119 0.000 1.013 47 T CB 1.268 70.115 68.868 -0.036 0.000 1.117 47 T HN 0.248 nan 8.240 nan 0.000 0.533 48 P HA -0.134 nan 4.420 nan 0.000 0.217 48 P C 1.592 179.012 177.300 0.200 0.000 1.151 48 P CA 1.062 64.322 63.100 0.267 0.000 0.849 48 P CB 0.053 31.860 31.700 0.179 0.000 0.787 49 R N -0.102 120.457 120.500 0.099 0.000 2.096 49 R HA -0.138 4.194 4.340 -0.013 0.000 0.235 49 R C 1.694 178.157 176.300 0.271 0.000 1.127 49 R CA 1.745 57.932 56.100 0.145 0.000 0.968 49 R CB -0.642 29.683 30.300 0.041 0.000 0.861 49 R HN 0.108 nan 8.270 nan 0.000 0.440 50 D N -0.326 120.122 120.400 0.081 0.000 2.117 50 D HA -0.192 4.440 4.640 -0.013 0.000 0.197 50 D C 1.725 178.042 176.300 0.027 0.000 0.987 50 D CA 1.330 55.332 54.000 0.003 0.000 0.829 50 D CB -0.303 40.354 40.800 -0.239 0.000 0.961 50 D HN 0.309 nan 8.370 nan 0.000 0.460 51 Y N 0.108 120.520 120.300 0.187 0.000 2.181 51 Y HA -0.203 4.339 4.550 -0.013 0.000 0.288 51 Y C 2.330 178.371 175.900 0.236 0.000 1.146 51 Y CA 0.338 58.594 58.100 0.261 0.000 1.164 51 Y CB -1.159 37.506 38.460 0.341 0.000 0.982 51 Y HN 0.084 nan 8.280 nan 0.000 0.515 52 Y N -0.396 120.039 120.300 0.225 0.000 2.097 52 Y HA -0.305 4.237 4.550 -0.013 0.000 0.282 52 Y C 1.994 177.859 175.900 -0.059 0.000 1.152 52 Y CA 1.419 59.543 58.100 0.040 0.000 1.136 52 Y CB -1.143 37.233 38.460 -0.140 0.000 0.975 52 Y HN 0.051 nan 8.280 nan 0.000 0.498 53 F N 0.200 119.949 119.950 -0.335 0.000 2.171 53 F HA -0.144 4.376 4.527 -0.012 0.000 0.300 53 F C 2.649 178.286 175.800 -0.272 0.000 1.090 53 F CA 1.248 58.987 58.000 -0.434 0.000 1.293 53 F CB -0.821 38.103 39.000 -0.126 0.000 1.013 53 F HN 0.209 nan 8.300 nan 0.000 0.486 54 A N -0.158 122.608 122.820 -0.089 0.000 1.902 54 A HA -0.189 4.123 4.320 -0.013 0.000 0.217 54 A C 2.058 179.498 177.584 -0.240 0.000 1.181 54 A CA 1.604 53.447 52.037 -0.322 0.000 0.623 54 A CB -0.979 17.482 19.000 -0.900 0.000 0.818 54 A HN 0.348 nan 8.150 nan 0.000 0.443 55 L N -0.312 120.887 121.223 -0.040 0.000 2.027 55 L HA 0.009 4.341 4.340 -0.013 0.000 0.206 55 L C 2.696 179.542 176.870 -0.040 0.000 1.074 55 L CA 2.139 57.083 54.840 0.173 0.000 0.745 55 L CB -0.971 41.264 42.059 0.293 0.000 0.898 55 L HN 0.338 nan 8.230 nan 0.000 0.433 56 A N -1.175 121.439 122.820 -0.344 0.000 1.883 56 A HA -0.298 4.015 4.320 -0.013 0.000 0.217 56 A C 2.152 179.389 177.584 -0.579 0.000 1.186 56 A CA 2.110 53.823 52.037 -0.539 0.000 0.624 56 A CB -1.142 17.196 19.000 -1.102 0.000 0.822 56 A HN 0.687 nan 8.150 nan 0.000 0.444 57 H N -0.890 117.869 119.070 -0.517 0.000 2.387 57 H HA -0.059 4.489 4.556 -0.013 0.000 0.299 57 H C 2.351 177.410 175.328 -0.447 0.000 1.090 57 H CA 1.938 57.606 56.048 -0.634 0.000 1.332 57 H CB -0.147 28.981 29.762 -1.056 0.000 1.386 57 H HN 0.471 nan 8.280 nan 0.000 0.516 58 T N -0.307 114.200 114.554 -0.078 0.000 2.708 58 T HA -0.132 4.211 4.350 -0.013 0.000 0.266 58 T C 2.246 177.113 174.700 0.278 0.000 1.037 58 T CA 1.363 63.601 62.100 0.229 0.000 1.146 58 T CB -0.365 68.697 68.868 0.323 0.000 0.865 58 T HN 0.098 nan 8.240 nan 0.000 0.435 59 V N 1.496 121.535 119.914 0.209 0.000 2.379 59 V HA -0.098 4.014 4.120 -0.013 0.000 0.245 59 V C 2.614 178.882 176.094 0.290 0.000 1.044 59 V CA 1.456 63.915 62.300 0.265 0.000 1.036 59 V CB -0.631 31.337 31.823 0.241 0.000 0.664 59 V HN 0.363 nan 8.190 nan 0.000 0.453 60 R N 0.294 120.916 120.500 0.204 0.000 2.105 60 R HA -0.228 4.104 4.340 -0.013 0.000 0.239 60 R C 1.964 178.368 176.300 0.173 0.000 1.135 60 R CA 2.124 58.340 56.100 0.194 0.000 0.967 60 R CB -0.440 29.828 30.300 -0.053 0.000 0.861 60 R HN 0.476 nan 8.270 nan 0.000 0.442 61 D N -0.204 120.287 120.400 0.151 0.000 2.158 61 D HA -0.177 4.455 4.640 -0.013 0.000 0.197 61 D C 1.723 178.038 176.300 0.026 0.000 0.995 61 D CA 1.154 55.213 54.000 0.097 0.000 0.846 61 D CB -0.385 40.466 40.800 0.085 0.000 0.941 61 D HN 0.474 nan 8.370 nan 0.000 0.456 62 H N -0.317 118.815 119.070 0.103 0.000 2.524 62 H HA 0.050 4.598 4.556 -0.013 0.000 0.282 62 H C 2.215 177.581 175.328 0.064 0.000 1.016 62 H CA 0.358 56.450 56.048 0.074 0.000 1.270 62 H CB 0.315 30.113 29.762 0.059 0.000 1.394 62 H HN 0.201 nan 8.280 nan 0.000 0.568 63 L N 0.598 121.927 121.223 0.177 0.000 2.179 63 L HA -0.109 4.224 4.340 -0.013 0.000 0.208 63 L C 2.777 179.751 176.870 0.173 0.000 1.096 63 L CA 0.473 55.382 54.840 0.115 0.000 0.779 63 L CB -0.163 41.928 42.059 0.054 0.000 0.922 63 L HN 0.117 nan 8.230 nan 0.000 0.443 64 V N -2.357 117.679 119.914 0.203 0.000 2.295 64 V HA -0.120 3.993 4.120 -0.013 0.000 0.246 64 V C 2.332 178.536 176.094 0.184 0.000 1.049 64 V CA 1.964 64.421 62.300 0.261 0.000 1.024 64 V CB -1.752 30.186 31.823 0.191 0.000 0.648 64 V HN 0.363 nan 8.190 nan 0.000 0.447 65 G N 0.369 109.232 108.800 0.104 0.000 2.446 65 G HA2 -0.262 3.690 3.960 -0.013 0.000 0.217 65 G HA3 -0.262 3.690 3.960 -0.013 0.000 0.217 65 G C 1.761 176.704 174.900 0.071 0.000 1.168 65 G CA 1.093 46.230 45.100 0.062 0.000 0.771 65 G HN 0.549 nan 8.290 nan 0.000 0.551 66 R N -1.469 119.083 120.500 0.085 0.000 2.096 66 R HA -0.079 4.253 4.340 -0.013 0.000 0.235 66 R C 2.270 178.648 176.300 0.130 0.000 1.127 66 R CA 1.184 57.323 56.100 0.065 0.000 0.968 66 R CB -0.354 29.969 30.300 0.038 0.000 0.861 66 R HN 0.489 nan 8.270 nan 0.000 0.440 67 W N 1.476 122.753 121.300 -0.039 0.000 2.355 67 W HA -0.056 4.596 4.660 -0.012 0.000 0.309 67 W C 1.713 178.199 176.519 -0.054 0.000 1.206 67 W CA 0.872 58.190 57.345 -0.045 0.000 1.284 67 W CB -0.581 28.871 29.460 -0.014 0.000 1.145 67 W HN -0.040 nan 8.180 nan 0.000 0.502 68 I N 1.037 121.654 120.570 0.079 0.000 2.179 68 I HA -0.345 3.817 4.170 -0.013 0.000 0.242 68 I C 2.738 178.831 176.117 -0.040 0.000 1.088 68 I CA 2.040 63.304 61.300 -0.059 0.000 1.357 68 I CB -0.603 37.368 38.000 -0.048 0.000 1.051 68 I HN -0.026 nan 8.210 nan 0.000 0.409 69 R N 0.280 120.773 120.500 -0.011 0.000 2.115 69 R HA -0.060 4.273 4.340 -0.013 0.000 0.226 69 R C 1.941 178.202 176.300 -0.065 0.000 1.100 69 R CA 1.583 57.667 56.100 -0.026 0.000 0.980 69 R CB -1.226 29.059 30.300 -0.024 0.000 0.875 69 R HN 0.177 nan 8.270 nan 0.000 0.445 70 T N 1.701 116.195 114.554 -0.099 0.000 2.674 70 T HA -0.111 4.231 4.350 -0.013 0.000 0.265 70 T C 1.844 176.276 174.700 -0.448 0.000 1.039 70 T CA 1.438 63.372 62.100 -0.277 0.000 1.150 70 T CB -0.130 68.615 68.868 -0.206 0.000 0.864 70 T HN 0.252 nan 8.240 nan 0.000 0.427 71 Q N 1.241 120.917 119.800 -0.207 0.000 2.119 71 Q HA -0.125 4.208 4.340 -0.013 0.000 0.201 71 Q C 2.517 178.520 176.000 0.005 0.000 0.972 71 Q CA 1.299 57.050 55.803 -0.088 0.000 0.847 71 Q CB -0.509 28.206 28.738 -0.038 0.000 0.903 71 Q HN 0.823 nan 8.270 nan 0.000 0.433 72 Q N -0.617 119.178 119.800 -0.008 0.000 2.172 72 Q HA -0.191 4.141 4.340 -0.013 0.000 0.200 72 Q C 1.782 177.863 176.000 0.134 0.000 0.964 72 Q CA 1.525 57.370 55.803 0.070 0.000 0.855 72 Q CB -0.516 28.239 28.738 0.029 0.000 0.918 72 Q HN 0.436 nan 8.270 nan 0.000 0.444 73 H N 0.195 119.237 119.070 -0.047 0.000 2.353 73 H HA -0.172 4.376 4.556 -0.013 0.000 0.300 73 H C 1.154 176.543 175.328 0.102 0.000 1.090 73 H CA 2.138 58.169 56.048 -0.028 0.000 1.327 73 H CB -0.204 29.476 29.762 -0.137 0.000 1.383 73 H HN 0.309 nan 8.280 nan 0.000 0.508 74 Y N -1.034 119.288 120.300 0.036 0.000 2.242 74 Y HA -0.176 4.366 4.550 -0.013 0.000 0.291 74 Y C 2.409 178.327 175.900 0.030 0.000 1.137 74 Y CA 1.030 59.126 58.100 -0.007 0.000 1.181 74 Y CB -1.346 37.171 38.460 0.095 0.000 0.989 74 Y HN 0.360 nan 8.280 nan 0.000 0.527 75 Y N 1.200 121.575 120.300 0.126 0.000 2.200 75 Y HA -0.171 4.371 4.550 -0.013 0.000 0.290 75 Y C 2.105 178.011 175.900 0.011 0.000 1.137 75 Y CA 1.691 59.829 58.100 0.064 0.000 1.163 75 Y CB -0.002 38.487 38.460 0.050 0.000 0.988 75 Y HN 0.015 nan 8.280 nan 0.000 0.518 76 E N 0.281 120.489 120.200 0.014 0.000 2.076 76 E HA -0.135 4.208 4.350 -0.013 0.000 0.190 76 E C 2.019 178.535 176.600 -0.139 0.000 0.979 76 E CA 1.074 57.425 56.400 -0.080 0.000 0.807 76 E CB -0.195 29.514 29.700 0.014 0.000 0.761 76 E HN 0.490 nan 8.360 nan 0.000 0.454 77 K N 0.615 120.911 120.400 -0.173 0.000 2.228 77 K HA -0.082 4.230 4.320 -0.013 0.000 0.202 77 K C -0.000 176.531 176.600 -0.115 0.000 1.051 77 K CA 0.480 56.665 56.287 -0.169 0.000 0.960 77 K CB 0.027 32.354 32.500 -0.288 0.000 0.743 77 K HN -0.022 nan 8.250 nan 0.000 0.458 78 D N 0.922 121.262 120.400 -0.101 0.000 2.735 78 D HA -0.102 4.530 4.640 -0.013 0.000 0.235 78 D C -2.450 173.815 176.300 -0.059 0.000 1.175 78 D CA 0.096 54.047 54.000 -0.081 0.000 0.683 78 D CB -0.103 40.620 40.800 -0.128 0.000 1.008 78 D HN 0.170 nan 8.370 nan 0.000 0.416 79 P HA 0.114 nan 4.420 nan 0.000 0.276 79 P C -0.157 177.100 177.300 -0.072 0.000 1.261 79 P CA -0.614 62.447 63.100 -0.066 0.000 0.800 79 P CB 0.619 32.267 31.700 -0.088 0.000 1.066 80 K N 1.301 121.662 120.400 -0.065 0.000 2.447 80 K HA 0.020 4.332 4.320 -0.013 0.000 0.281 80 K C 0.158 176.673 176.600 -0.142 0.000 1.031 80 K CA -0.046 56.196 56.287 -0.074 0.000 1.019 80 K CB 0.260 32.732 32.500 -0.046 0.000 0.918 80 K HN 0.294 nan 8.250 nan 0.000 0.476 81 R N 4.463 124.869 120.500 -0.157 0.000 2.368 81 R HA 0.343 4.675 4.340 -0.013 0.000 0.302 81 R C -0.194 175.844 176.300 -0.438 0.000 1.002 81 R CA -0.820 55.110 56.100 -0.283 0.000 0.929 81 R CB 0.753 30.900 30.300 -0.254 0.000 1.073 81 R HN 0.495 nan 8.270 nan 0.000 0.464 82 I N 3.760 124.008 120.570 -0.536 0.000 2.339 82 I HA 0.262 4.424 4.170 -0.013 0.000 0.290 82 I C -0.482 175.325 176.117 -0.517 0.000 0.994 82 I CA -1.089 59.849 61.300 -0.604 0.000 1.191 82 I CB 0.561 38.065 38.000 -0.827 0.000 1.343 82 I HN 0.436 nan 8.210 nan 0.000 0.458 83 Y N 5.958 126.221 120.300 -0.062 0.000 2.356 83 Y HA 0.302 4.844 4.550 -0.013 0.000 0.334 83 Y C -0.330 175.674 175.900 0.173 0.000 0.958 83 Y CA -0.699 57.485 58.100 0.139 0.000 1.196 83 Y CB 1.192 39.691 38.460 0.066 0.000 1.137 83 Y HN 0.403 nan 8.280 nan 0.000 0.485 84 Y N 4.564 125.046 120.300 0.304 0.000 2.434 84 Y HA 0.501 5.043 4.550 -0.013 0.000 0.341 84 Y C -1.309 174.855 175.900 0.439 0.000 0.965 84 Y CA -0.955 57.332 58.100 0.312 0.000 1.205 84 Y CB 0.342 38.983 38.460 0.302 0.000 1.121 84 Y HN 0.514 nan 8.280 nan 0.000 0.507 85 L N 5.009 126.301 121.223 0.115 0.000 2.264 85 L HA 0.502 4.834 4.340 -0.013 0.000 0.289 85 L C -0.214 176.689 176.870 0.055 0.000 1.044 85 L CA 0.102 55.062 54.840 0.200 0.000 0.807 85 L CB 1.401 43.538 42.059 0.130 0.000 1.192 85 L HN 0.563 nan 8.230 nan 0.000 0.425 86 S N 2.604 118.414 115.700 0.184 0.000 2.541 86 S HA 0.484 4.946 4.470 -0.013 0.000 0.271 86 S C 0.359 175.045 174.600 0.143 0.000 1.133 86 S CA -0.621 57.578 58.200 -0.001 0.000 0.876 86 S CB 1.054 64.009 63.200 -0.408 0.000 1.105 86 S HN 0.495 nan 8.310 nan 0.000 0.470 87 L N 2.358 123.697 121.223 0.194 0.000 2.554 87 L HA 0.367 4.700 4.340 -0.013 0.000 0.226 87 L C 0.222 177.278 176.870 0.309 0.000 1.137 87 L CA 1.183 56.200 54.840 0.296 0.000 0.863 87 L CB -0.753 41.493 42.059 0.311 0.000 0.985 87 L HN 0.701 nan 8.230 nan 0.000 0.451 88 E N -0.819 119.437 120.200 0.093 0.000 2.275 88 E HA 0.389 4.731 4.350 -0.013 0.000 0.270 88 E C -1.525 174.949 176.600 -0.211 0.000 0.882 88 E CA -0.360 56.081 56.400 0.069 0.000 0.758 88 E CB 2.057 31.788 29.700 0.052 0.000 1.195 88 E HN -0.149 nan 8.360 nan 0.000 0.419 89 F N 2.253 122.303 119.950 0.168 0.000 2.659 89 F HA 0.193 4.712 4.527 -0.013 0.000 0.342 89 F C -0.869 175.001 175.800 0.118 0.000 1.168 89 F CA -0.796 57.288 58.000 0.139 0.000 1.003 89 F CB 1.031 40.104 39.000 0.121 0.000 1.267 89 F HN 0.474 nan 8.300 nan 0.000 0.463 90 Y N 5.377 125.752 120.300 0.125 0.000 2.751 90 Y HA 0.264 4.806 4.550 -0.012 0.000 0.333 90 Y C 0.797 176.713 175.900 0.028 0.000 1.122 90 Y CA -1.158 56.965 58.100 0.038 0.000 1.367 90 Y CB 0.449 38.913 38.460 0.007 0.000 1.242 90 Y HN 0.557 nan 8.280 nan 0.000 0.505 91 M N 1.754 121.516 119.600 0.271 0.000 2.388 91 M HA 0.141 4.613 4.480 -0.013 0.000 0.265 91 M C 1.543 177.845 176.300 0.003 0.000 1.088 91 M CA 1.034 56.389 55.300 0.091 0.000 1.134 91 M CB -1.156 31.459 32.600 0.025 0.000 1.384 91 M HN 0.723 nan 8.290 nan 0.000 0.447 92 G N 1.379 110.215 108.800 0.060 0.000 2.569 92 G HA2 -0.276 3.676 3.960 -0.013 0.000 0.259 92 G HA3 -0.276 3.676 3.960 -0.013 0.000 0.259 92 G C -0.215 174.656 174.900 -0.048 0.000 1.263 92 G CA -0.288 44.796 45.100 -0.027 0.000 0.928 92 G HN 0.441 nan 8.290 nan 0.000 0.572 93 R N -0.696 119.749 120.500 -0.091 0.000 2.531 93 R HA 0.562 4.895 4.340 -0.013 0.000 0.273 93 R C 1.052 177.236 176.300 -0.193 0.000 1.070 93 R CA 0.300 56.350 56.100 -0.083 0.000 1.112 93 R CB 0.703 30.961 30.300 -0.071 0.000 1.049 93 R HN 0.523 nan 8.270 nan 0.000 0.508 94 T N 1.076 115.462 114.554 -0.280 0.000 2.978 94 T HA -0.007 4.336 4.350 -0.013 0.000 0.248 94 T C 1.433 175.751 174.700 -0.637 0.000 1.018 94 T CA -0.132 61.583 62.100 -0.643 0.000 1.026 94 T CB 0.141 68.228 68.868 -1.301 0.000 1.032 94 T HN 0.308 nan 8.240 nan 0.000 0.485 95 L N 1.938 123.016 121.223 -0.242 0.000 1.970 95 L HA -0.019 4.314 4.340 -0.013 0.000 0.212 95 L C 2.457 179.291 176.870 -0.060 0.000 1.071 95 L CA 2.008 56.860 54.840 0.020 0.000 0.751 95 L CB -0.684 41.594 42.059 0.365 0.000 0.889 95 L HN 0.179 nan 8.230 nan 0.000 0.432 96 Q N -0.779 118.983 119.800 -0.063 0.000 2.084 96 Q HA -0.247 4.085 4.340 -0.013 0.000 0.202 96 Q C 2.231 178.156 176.000 -0.125 0.000 0.978 96 Q CA 1.809 57.567 55.803 -0.075 0.000 0.844 96 Q CB -0.298 28.393 28.738 -0.078 0.000 0.898 96 Q HN 0.698 nan 8.270 nan 0.000 0.426 97 N N -0.990 117.596 118.700 -0.190 0.000 2.104 97 N HA -0.154 4.578 4.740 -0.013 0.000 0.190 97 N C 1.360 176.760 175.510 -0.184 0.000 1.024 97 N CA 1.796 54.724 53.050 -0.203 0.000 0.853 97 N CB 0.063 38.395 38.487 -0.258 0.000 1.008 97 N HN 0.220 nan 8.380 nan 0.000 0.424 98 T N 1.258 115.669 114.554 -0.238 0.000 2.777 98 T HA -0.059 4.283 4.350 -0.013 0.000 0.266 98 T C 2.064 176.699 174.700 -0.108 0.000 1.040 98 T CA 1.064 63.043 62.100 -0.202 0.000 1.141 98 T CB -0.071 68.633 68.868 -0.273 0.000 0.868 98 T HN 0.265 nan 8.240 nan 0.000 0.444 99 M N 0.580 120.132 119.600 -0.080 0.000 2.117 99 M HA -0.095 4.378 4.480 -0.013 0.000 0.262 99 M C 2.484 178.749 176.300 -0.058 0.000 1.065 99 M CA 1.276 56.543 55.300 -0.055 0.000 1.114 99 M CB -0.668 31.915 32.600 -0.029 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 1.045 120.930 119.914 -0.048 0.000 2.255 100 V HA -0.289 3.823 4.120 -0.013 0.000 0.247 100 V C 1.831 177.939 176.094 0.024 0.000 1.051 100 V CA 2.006 64.305 62.300 -0.002 0.000 1.018 100 V CB -0.904 30.917 31.823 -0.004 0.000 0.641 100 V HN 0.480 nan 8.190 nan 0.000 0.445 101 N N -0.355 118.344 118.700 -0.002 0.000 2.396 101 N HA -0.041 4.692 4.740 -0.013 0.000 0.180 101 N C 1.114 176.533 175.510 -0.153 0.000 1.028 101 N CA 0.752 53.785 53.050 -0.028 0.000 0.893 101 N CB -0.132 38.346 38.487 -0.016 0.000 0.967 101 N HN 0.297 nan 8.380 nan 0.000 0.440 102 L N -0.142 121.007 121.223 -0.123 0.000 2.640 102 L HA 0.390 4.722 4.340 -0.013 0.000 0.230 102 L C 0.618 177.404 176.870 -0.139 0.000 1.123 102 L CA -0.226 54.538 54.840 -0.126 0.000 0.900 102 L CB -0.730 41.276 42.059 -0.089 0.000 1.146 102 L HN 0.099 nan 8.230 nan 0.000 0.484 103 A N -0.550 122.186 122.820 -0.140 0.000 2.869 103 A HA -0.213 4.099 4.320 -0.013 0.000 0.280 103 A C 0.996 178.522 177.584 -0.096 0.000 1.458 103 A CA 0.915 52.881 52.037 -0.117 0.000 0.776 103 A CB -1.953 16.964 19.000 -0.139 0.000 1.028 103 A HN 0.210 nan 8.150 nan 0.000 0.547 104 L N -0.856 120.310 121.223 -0.094 0.000 2.693 104 L HA 0.263 4.595 4.340 -0.013 0.000 0.235 104 L C 1.794 178.627 176.870 -0.063 0.000 1.127 104 L CA 1.434 56.212 54.840 -0.102 0.000 0.914 104 L CB -0.202 41.765 42.059 -0.152 0.000 1.193 104 L HN 0.622 nan 8.230 nan 0.000 0.502 105 E N -0.105 120.068 120.200 -0.046 0.000 2.031 105 E HA -0.223 4.119 4.350 -0.013 0.000 0.193 105 E C 1.580 178.166 176.600 -0.025 0.000 0.994 105 E CA 1.349 57.732 56.400 -0.028 0.000 0.800 105 E CB 0.276 29.962 29.700 -0.024 0.000 0.752 105 E HN 0.395 nan 8.360 nan 0.000 0.447 106 N N 0.110 118.793 118.700 -0.030 0.000 2.142 106 N HA -0.122 4.611 4.740 -0.013 0.000 0.186 106 N C 1.564 177.057 175.510 -0.028 0.000 1.023 106 N CA 1.227 54.259 53.050 -0.030 0.000 0.852 106 N CB -0.393 38.075 38.487 -0.031 0.000 0.998 106 N HN 0.219 nan 8.380 nan 0.000 0.424 107 A N 0.402 123.204 122.820 -0.030 0.000 1.877 107 A HA -0.154 4.158 4.320 -0.013 0.000 0.216 107 A C 2.657 180.234 177.584 -0.013 0.000 1.186 107 A CA 1.412 53.435 52.037 -0.024 0.000 0.620 107 A CB -1.035 17.943 19.000 -0.038 0.000 0.822 107 A HN 0.445 nan 8.150 nan 0.000 0.443 108 C N -0.869 118.423 119.300 -0.013 0.000 2.440 108 C HA -0.061 4.392 4.460 -0.013 0.000 0.278 108 C C 2.468 177.461 174.990 0.005 0.000 1.295 108 C CA 1.035 60.057 59.018 0.007 0.000 1.738 108 C CB -1.095 26.659 27.740 0.022 0.000 1.987 108 C HN 0.671 nan 8.230 nan 0.000 0.492 109 D N 0.701 121.101 120.400 0.001 0.000 2.097 109 D HA -0.140 4.492 4.640 -0.013 0.000 0.195 109 D C 2.129 178.441 176.300 0.019 0.000 0.989 109 D CA 1.491 55.494 54.000 0.004 0.000 0.827 109 D CB -0.245 40.544 40.800 -0.018 0.000 0.966 109 D HN 0.471 nan 8.370 nan 0.000 0.456 110 E N 0.391 120.594 120.200 0.006 0.000 2.031 110 E HA -0.077 4.265 4.350 -0.013 0.000 0.193 110 E C 1.907 178.542 176.600 0.059 0.000 0.994 110 E CA 1.674 58.096 56.400 0.036 0.000 0.800 110 E CB -0.582 29.124 29.700 0.009 0.000 0.752 110 E HN 0.199 nan 8.360 nan 0.000 0.447 111 A N -0.098 122.728 122.820 0.009 0.000 1.892 111 A HA -0.245 4.068 4.320 -0.013 0.000 0.218 111 A C 2.511 180.029 177.584 -0.110 0.000 1.188 111 A CA 3.089 55.107 52.037 -0.032 0.000 0.631 111 A CB -1.548 17.438 19.000 -0.023 0.000 0.822 111 A HN 0.535 nan 8.150 nan 0.000 0.447 112 T N -3.707 110.777 114.554 -0.117 0.000 2.821 112 T HA -0.214 4.128 4.350 -0.013 0.000 0.267 112 T C 1.857 176.483 174.700 -0.124 0.000 1.046 112 T CA 1.518 63.493 62.100 -0.208 0.000 1.139 112 T CB -0.617 68.170 68.868 -0.136 0.000 0.871 112 T HN 0.464 nan 8.240 nan 0.000 0.454 113 Y N 2.243 122.466 120.300 -0.128 0.000 2.165 113 Y HA -0.117 4.426 4.550 -0.012 0.000 0.286 113 Y C 2.622 178.462 175.900 -0.099 0.000 1.155 113 Y CA 1.600 59.642 58.100 -0.096 0.000 1.164 113 Y CB -0.478 37.944 38.460 -0.063 0.000 0.978 113 Y HN 0.260 nan 8.280 nan 0.000 0.513 114 Q N -0.985 118.764 119.800 -0.084 0.000 2.297 114 Q HA -0.103 4.229 4.340 -0.013 0.000 0.204 114 Q C 1.437 177.319 176.000 -0.196 0.000 0.962 114 Q CA 0.729 56.444 55.803 -0.148 0.000 0.879 114 Q CB -0.013 28.704 28.738 -0.035 0.000 0.947 114 Q HN 0.359 nan 8.270 nan 0.000 0.462 115 L N -0.968 120.117 121.223 -0.230 0.000 2.591 115 L HA 0.155 4.487 4.340 -0.013 0.000 0.228 115 L C 1.115 177.823 176.870 -0.271 0.000 1.133 115 L CA 1.144 55.829 54.840 -0.259 0.000 0.880 115 L CB -0.226 41.593 42.059 -0.400 0.000 1.033 115 L HN 0.301 nan 8.230 nan 0.000 0.450 116 G N -0.224 108.401 108.800 -0.292 0.000 2.149 116 G HA2 -0.235 3.718 3.960 -0.013 0.000 0.235 116 G HA3 -0.235 3.718 3.960 -0.013 0.000 0.235 116 G C 0.010 174.768 174.900 -0.236 0.000 1.018 116 G CA 0.223 45.161 45.100 -0.271 0.000 0.728 116 G HN 0.267 nan 8.290 nan 0.000 0.508 117 L N -0.285 120.799 121.223 -0.231 0.000 2.370 117 L HA 0.629 4.962 4.340 -0.013 0.000 0.266 117 L C -0.663 176.173 176.870 -0.056 0.000 1.002 117 L CA -1.201 53.535 54.840 -0.173 0.000 0.818 117 L CB 1.971 43.870 42.059 -0.267 0.000 1.325 117 L HN 0.085 nan 8.230 nan 0.000 0.418 118 D N 1.885 122.282 120.400 -0.005 0.000 2.359 118 D HA 0.203 4.835 4.640 -0.013 0.000 0.230 118 D C 0.603 176.932 176.300 0.049 0.000 1.118 118 D CA -0.241 53.786 54.000 0.044 0.000 0.844 118 D CB 1.569 42.400 40.800 0.052 0.000 1.059 118 D HN 0.505 nan 8.370 nan 0.000 0.493 119 M N 3.062 122.693 119.600 0.051 0.000 2.159 119 M HA -0.136 4.336 4.480 -0.013 0.000 0.263 119 M C 1.276 177.617 176.300 0.068 0.000 1.063 119 M CA 1.531 56.869 55.300 0.063 0.000 1.110 119 M CB 0.206 32.836 32.600 0.051 0.000 1.374 119 M HN 0.437 nan 8.290 nan 0.000 0.411 120 E N -0.266 119.965 120.200 0.051 0.000 2.150 120 E HA -0.247 4.096 4.350 -0.013 0.000 0.193 120 E C 1.817 178.446 176.600 0.048 0.000 0.985 120 E CA 1.270 57.696 56.400 0.042 0.000 0.814 120 E CB -0.134 29.586 29.700 0.034 0.000 0.752 120 E HN 0.632 nan 8.360 nan 0.000 0.466 121 E N 0.520 120.755 120.200 0.058 0.000 2.072 121 E HA -0.193 4.149 4.350 -0.013 0.000 0.191 121 E C 1.884 178.525 176.600 0.068 0.000 0.985 121 E CA 0.591 57.028 56.400 0.061 0.000 0.801 121 E CB 0.175 29.914 29.700 0.065 0.000 0.750 121 E HN 0.087 nan 8.360 nan 0.000 0.452 122 L N 1.529 122.814 121.223 0.103 0.000 2.093 122 L HA -0.136 4.197 4.340 -0.013 0.000 0.208 122 L C 2.076 179.010 176.870 0.106 0.000 1.085 122 L CA 1.643 56.577 54.840 0.157 0.000 0.755 122 L CB -0.680 41.522 42.059 0.238 0.000 0.904 122 L HN 0.151 nan 8.230 nan 0.000 0.435 123 E N -0.701 119.549 120.200 0.083 0.000 2.153 123 E HA -0.200 4.142 4.350 -0.013 0.000 0.194 123 E C 1.798 178.359 176.600 -0.064 0.000 0.988 123 E CA 0.820 57.241 56.400 0.034 0.000 0.811 123 E CB 0.001 29.723 29.700 0.035 0.000 0.746 123 E HN 0.410 nan 8.360 nan 0.000 0.466 124 E N 0.244 120.418 120.200 -0.044 0.000 2.418 124 E HA -0.103 4.239 4.350 -0.013 0.000 0.197 124 E C 1.842 178.374 176.600 -0.114 0.000 1.026 124 E CA 0.531 56.902 56.400 -0.048 0.000 0.862 124 E CB 0.048 29.756 29.700 0.013 0.000 0.799 124 E HN 0.410 nan 8.360 nan 0.000 0.518 125 I N 0.781 121.218 120.570 -0.222 0.000 2.500 125 I HA -0.103 4.059 4.170 -0.013 0.000 0.252 125 I C 1.392 177.196 176.117 -0.522 0.000 1.142 125 I CA 0.244 61.342 61.300 -0.337 0.000 1.451 125 I CB 0.085 37.882 38.000 -0.338 0.000 1.093 125 I HN -0.030 nan 8.210 nan 0.000 0.430 126 E N 2.707 122.480 120.200 -0.711 0.000 2.414 126 E HA -0.042 4.301 4.350 -0.013 0.000 0.263 126 E C -0.223 176.282 176.600 -0.158 0.000 1.000 126 E CA -0.193 55.860 56.400 -0.579 0.000 0.914 126 E CB 0.608 30.090 29.700 -0.362 0.000 0.948 126 E HN 0.098 nan 8.360 nan 0.000 0.444 127 E N 3.396 123.598 120.200 0.003 0.000 2.354 127 E HA 0.052 4.395 4.350 -0.013 0.000 0.269 127 E C -0.759 175.938 176.600 0.162 0.000 1.036 127 E CA -0.238 56.246 56.400 0.140 0.000 0.876 127 E CB 0.693 30.565 29.700 0.287 0.000 1.009 127 E HN 0.483 nan 8.360 nan 0.000 0.416 128 D N 0.836 121.308 120.400 0.121 0.000 2.443 128 D HA 0.123 4.755 4.640 -0.013 0.000 0.239 128 D C -0.289 176.049 176.300 0.064 0.000 1.136 128 D CA 0.219 54.273 54.000 0.091 0.000 0.879 128 D CB 0.563 41.418 40.800 0.092 0.000 1.195 128 D HN 0.374 nan 8.370 nan 0.000 0.443 129 A N 2.332 125.142 122.820 -0.016 0.000 2.671 129 A HA 0.471 4.784 4.320 -0.013 0.000 0.306 129 A C 1.019 178.412 177.584 -0.319 0.000 1.473 129 A CA -0.395 51.424 52.037 -0.363 0.000 1.155 129 A CB -0.281 18.578 19.000 -0.236 0.000 1.123 129 A HN 0.520 nan 8.150 nan 0.000 0.545 130 G N 2.046 110.563 108.800 -0.472 0.000 3.741 130 G HA2 0.415 4.367 3.960 -0.013 0.000 0.263 130 G HA3 0.415 4.367 3.960 -0.013 0.000 0.263 130 G C 0.312 174.818 174.900 -0.657 0.000 1.175 130 G CA -0.297 44.480 45.100 -0.537 0.000 1.642 130 G HN 0.690 nan 8.290 nan 0.000 0.644 131 L N 1.281 122.221 121.223 -0.471 0.000 2.862 131 L HA 0.381 4.714 4.340 -0.013 0.000 0.240 131 L C 1.040 177.831 176.870 -0.132 0.000 1.283 131 L CA -0.204 54.529 54.840 -0.177 0.000 1.117 131 L CB -0.339 41.757 42.059 0.061 0.000 1.444 131 L HN 0.324 nan 8.230 nan 0.000 0.456 132 G N -1.279 107.239 108.800 -0.469 0.000 2.660 132 G HA2 0.184 4.136 3.960 -0.013 0.000 0.290 132 G HA3 0.184 4.136 3.960 -0.013 0.000 0.290 132 G C -0.127 174.533 174.900 -0.400 0.000 1.432 132 G CA -0.461 44.457 45.100 -0.304 0.000 0.807 132 G HN -0.092 nan 8.290 nan 0.000 0.485 133 N N -0.758 117.888 118.700 -0.091 0.000 2.402 133 N HA 0.207 4.939 4.740 -0.013 0.000 0.174 133 N C 1.170 176.768 175.510 0.146 0.000 1.027 133 N CA 1.350 54.398 53.050 -0.004 0.000 0.891 133 N CB 1.195 39.721 38.487 0.065 0.000 1.016 133 N HN 0.892 nan 8.380 nan 0.000 0.439 134 G N -0.608 108.337 108.800 0.241 0.000 2.600 134 G HA2 0.085 4.037 3.960 -0.013 0.000 0.072 134 G HA3 0.085 4.037 3.960 -0.013 0.000 0.072 134 G C 0.729 175.722 174.900 0.154 0.000 1.051 134 G CA 0.166 45.406 45.100 0.232 0.000 1.230 134 G HN 0.149 nan 8.290 nan 0.000 0.547 135 G N 0.410 109.260 108.800 0.083 0.000 2.440 135 G HA2 -0.022 3.930 3.960 -0.013 0.000 0.218 135 G HA3 -0.022 3.930 3.960 -0.013 0.000 0.218 135 G C 1.894 176.787 174.900 -0.012 0.000 1.154 135 G CA 1.570 46.683 45.100 0.022 0.000 0.767 135 G HN 0.830 nan 8.290 nan 0.000 0.552 136 L N 0.578 121.789 121.223 -0.021 0.000 2.027 136 L HA 0.116 4.448 4.340 -0.013 0.000 0.206 136 L C 2.851 179.661 176.870 -0.099 0.000 1.074 136 L CA 1.897 56.657 54.840 -0.134 0.000 0.745 136 L CB -0.541 41.422 42.059 -0.160 0.000 0.898 136 L HN 0.233 nan 8.230 nan 0.000 0.433 137 G N -0.703 108.099 108.800 0.004 0.000 2.408 137 G HA2 -0.300 3.652 3.960 -0.013 0.000 0.217 137 G HA3 -0.300 3.652 3.960 -0.013 0.000 0.217 137 G C 1.641 176.601 174.900 0.100 0.000 1.150 137 G CA 0.702 45.829 45.100 0.045 0.000 0.776 137 G HN 0.289 nan 8.290 nan 0.000 0.542 138 R N -0.035 120.530 120.500 0.108 0.000 2.115 138 R HA 0.151 4.483 4.340 -0.013 0.000 0.226 138 R C 2.296 178.590 176.300 -0.009 0.000 1.100 138 R CA 0.726 56.869 56.100 0.072 0.000 0.980 138 R CB -0.854 29.449 30.300 0.004 0.000 0.875 138 R HN 0.320 nan 8.270 nan 0.000 0.445 139 L N 0.244 121.394 121.223 -0.121 0.000 2.042 139 L HA -0.042 4.290 4.340 -0.013 0.000 0.210 139 L C 2.098 178.674 176.870 -0.490 0.000 1.076 139 L CA 2.217 56.845 54.840 -0.354 0.000 0.749 139 L CB -0.873 40.938 42.059 -0.414 0.000 0.893 139 L HN 0.262 nan 8.230 nan 0.000 0.432 140 A N -0.626 122.041 122.820 -0.256 0.000 1.908 140 A HA -0.184 4.129 4.320 -0.013 0.000 0.218 140 A C 2.439 180.080 177.584 0.094 0.000 1.181 140 A CA 2.018 53.984 52.037 -0.118 0.000 0.627 140 A CB -1.181 17.709 19.000 -0.184 0.000 0.818 140 A HN 0.584 nan 8.150 nan 0.000 0.445 141 A N -1.063 121.844 122.820 0.145 0.000 1.873 141 A HA -0.148 4.164 4.320 -0.013 0.000 0.215 141 A C 2.319 179.976 177.584 0.121 0.000 1.186 141 A CA 1.629 53.773 52.037 0.179 0.000 0.616 141 A CB -1.286 17.810 19.000 0.160 0.000 0.823 141 A HN 0.608 nan 8.150 nan 0.000 0.442 142 C N -1.395 117.976 119.300 0.118 0.000 2.429 142 C HA -0.079 4.373 4.460 -0.013 0.000 0.277 142 C C 2.427 177.579 174.990 0.270 0.000 1.262 142 C CA 0.633 59.760 59.018 0.182 0.000 1.733 142 C CB -1.656 26.214 27.740 0.217 0.000 2.010 142 C HN 0.600 nan 8.230 nan 0.000 0.483 143 F N 1.226 121.162 119.950 -0.023 0.000 2.134 143 F HA -0.082 4.437 4.527 -0.013 0.000 0.299 143 F C 2.249 177.987 175.800 -0.102 0.000 1.097 143 F CA 1.021 58.955 58.000 -0.110 0.000 1.264 143 F CB -1.382 37.420 39.000 -0.331 0.000 1.001 143 F HN 0.202 nan 8.300 nan 0.000 0.479 144 L N -0.419 120.874 121.223 0.117 0.000 2.046 144 L HA -0.250 4.082 4.340 -0.013 0.000 0.208 144 L C 2.166 179.043 176.870 0.013 0.000 1.077 144 L CA 1.942 56.804 54.840 0.037 0.000 0.747 144 L CB -0.793 41.285 42.059 0.031 0.000 0.896 144 L HN 0.103 nan 8.230 nan 0.000 0.432 145 D N -0.435 119.983 120.400 0.031 0.000 2.104 145 D HA -0.179 4.453 4.640 -0.013 0.000 0.194 145 D C 2.204 178.519 176.300 0.025 0.000 0.994 145 D CA 1.560 55.565 54.000 0.008 0.000 0.830 145 D CB 0.195 40.998 40.800 0.005 0.000 0.959 145 D HN 0.086 nan 8.370 nan 0.000 0.452 146 S N -0.719 115.014 115.700 0.055 0.000 2.383 146 S HA -0.115 4.347 4.470 -0.013 0.000 0.227 146 S C 1.999 176.613 174.600 0.023 0.000 1.026 146 S CA 0.888 59.113 58.200 0.042 0.000 0.981 146 S CB -0.231 63.001 63.200 0.052 0.000 0.818 146 S HN 0.343 nan 8.310 nan 0.000 0.472 147 M N 0.965 120.571 119.600 0.010 0.000 2.159 147 M HA -0.107 4.365 4.480 -0.013 0.000 0.263 147 M C 2.441 178.740 176.300 -0.001 0.000 1.063 147 M CA 1.436 56.737 55.300 0.002 0.000 1.110 147 M CB -0.501 32.079 32.600 -0.033 0.000 1.374 147 M HN 0.402 nan 8.290 nan 0.000 0.411 148 A N -0.332 122.483 122.820 -0.007 0.000 1.897 148 A HA -0.112 4.200 4.320 -0.013 0.000 0.215 148 A C 2.158 179.754 177.584 0.021 0.000 1.181 148 A CA 1.961 53.998 52.037 -0.001 0.000 0.620 148 A CB -1.028 17.955 19.000 -0.029 0.000 0.821 148 A HN 0.416 nan 8.150 nan 0.000 0.443 149 T N 0.334 114.906 114.554 0.030 0.000 2.833 149 T HA -0.006 4.337 4.350 -0.013 0.000 0.269 149 T C 1.328 176.058 174.700 0.049 0.000 1.054 149 T CA 1.146 63.278 62.100 0.054 0.000 1.135 149 T CB -0.273 68.636 68.868 0.068 0.000 0.869 149 T HN 0.342 nan 8.240 nan 0.000 0.466 150 L N 0.461 121.709 121.223 0.042 0.000 2.629 150 L HA 0.309 4.642 4.340 -0.013 0.000 0.230 150 L C 1.624 178.525 176.870 0.051 0.000 1.151 150 L CA -0.074 54.793 54.840 0.045 0.000 0.924 150 L CB -0.380 41.706 42.059 0.045 0.000 1.137 150 L HN 0.392 nan 8.230 nan 0.000 0.457 151 G N 1.038 109.871 108.800 0.055 0.000 2.249 151 G HA2 -0.283 3.669 3.960 -0.013 0.000 0.273 151 G HA3 -0.283 3.669 3.960 -0.013 0.000 0.273 151 G C 0.111 175.060 174.900 0.083 0.000 1.036 151 G CA 0.006 45.157 45.100 0.084 0.000 0.824 151 G HN 0.281 nan 8.290 nan 0.000 0.504 152 L N -0.100 121.139 121.223 0.027 0.000 2.350 152 L HA 0.602 4.934 4.340 -0.013 0.000 0.275 152 L C 1.241 177.988 176.870 -0.206 0.000 1.099 152 L CA -0.349 54.456 54.840 -0.057 0.000 0.808 152 L CB 1.559 43.594 42.059 -0.039 0.000 1.149 152 L HN 0.261 nan 8.230 nan 0.000 0.442 153 A N 3.140 125.694 122.820 -0.443 0.000 2.981 153 A HA 0.536 4.849 4.320 -0.013 0.000 0.280 153 A C 0.325 177.527 177.584 -0.637 0.000 1.743 153 A CA -0.117 51.356 52.037 -0.939 0.000 1.430 153 A CB -0.702 17.654 19.000 -1.075 0.000 1.085 153 A HN 0.703 nan 8.150 nan 0.000 0.597 154 A N 1.593 124.079 122.820 -0.558 0.000 2.350 154 A HA 0.792 5.104 4.320 -0.013 0.000 0.324 154 A C -1.049 176.233 177.584 -0.503 0.000 1.118 154 A CA -0.470 51.313 52.037 -0.423 0.000 0.783 154 A CB 0.815 19.654 19.000 -0.267 0.000 1.236 154 A HN 0.620 nan 8.150 nan 0.000 0.457 155 Y N 0.460 120.676 120.300 -0.141 0.000 2.373 155 Y HA 0.533 5.076 4.550 -0.013 0.000 0.336 155 Y C 0.835 176.812 175.900 0.129 0.000 0.979 155 Y CA -0.560 57.534 58.100 -0.010 0.000 1.080 155 Y CB 2.382 40.921 38.460 0.132 0.000 1.190 155 Y HN 0.840 nan 8.280 nan 0.000 0.446 156 G N 2.252 111.129 108.800 0.129 0.000 2.338 156 G HA2 0.442 4.394 3.960 -0.013 0.000 0.298 156 G HA3 0.442 4.394 3.960 -0.013 0.000 0.298 156 G C -1.707 173.204 174.900 0.019 0.000 1.140 156 G CA -0.227 44.982 45.100 0.181 0.000 0.860 156 G HN 0.532 nan 8.290 nan 0.000 0.470 157 Y N 0.961 121.482 120.300 0.369 0.000 2.350 157 Y HA 0.626 5.168 4.550 -0.013 0.000 0.338 157 Y C 0.750 176.950 175.900 0.500 0.000 0.961 157 Y CA 0.179 58.464 58.100 0.309 0.000 1.100 157 Y CB 2.688 41.356 38.460 0.346 0.000 1.179 157 Y HN 0.878 nan 8.280 nan 0.000 0.454 158 G N 2.316 111.428 108.800 0.519 0.000 2.753 158 G HA2 0.604 4.556 3.960 -0.013 0.000 0.303 158 G HA3 0.604 4.556 3.960 -0.013 0.000 0.303 158 G C -1.760 173.366 174.900 0.378 0.000 1.242 158 G CA -0.825 44.608 45.100 0.555 0.000 0.810 158 G HN 0.427 nan 8.290 nan 0.000 0.515 159 I N 0.585 121.273 120.570 0.196 0.000 2.474 159 I HA 0.428 4.590 4.170 -0.013 0.000 0.294 159 I C 0.241 176.251 176.117 -0.178 0.000 1.005 159 I CA -0.721 60.584 61.300 0.010 0.000 1.113 159 I CB 2.247 40.091 38.000 -0.261 0.000 1.289 159 I HN 0.353 nan 8.210 nan 0.000 0.436 160 R N 6.128 126.629 120.500 0.002 0.000 2.608 160 R HA 0.219 4.552 4.340 -0.013 0.000 0.277 160 R C -1.220 175.120 176.300 0.068 0.000 1.341 160 R CA -0.429 55.701 56.100 0.049 0.000 1.199 160 R CB -0.058 30.250 30.300 0.013 0.000 1.156 160 R HN 0.392 nan 8.270 nan 0.000 0.558 161 Y N 1.505 121.958 120.300 0.255 0.000 2.511 161 Y HA -0.086 4.456 4.550 -0.013 0.000 0.332 161 Y C 1.591 177.662 175.900 0.285 0.000 1.177 161 Y CA 0.078 58.319 58.100 0.234 0.000 1.422 161 Y CB 0.749 39.324 38.460 0.192 0.000 1.271 161 Y HN 0.586 nan 8.280 nan 0.000 0.550 162 E N 2.170 122.533 120.200 0.272 0.000 2.150 162 E HA -0.076 4.266 4.350 -0.013 0.000 0.193 162 E C -0.746 175.697 176.600 -0.262 0.000 0.985 162 E CA 0.727 57.071 56.400 -0.093 0.000 0.814 162 E CB 0.168 29.700 29.700 -0.280 0.000 0.752 162 E HN 0.508 nan 8.360 nan 0.000 0.466 163 F N -0.349 119.818 119.950 0.362 0.000 2.507 163 F HA 0.440 4.959 4.527 -0.013 0.000 0.328 163 F C 0.766 176.653 175.800 0.144 0.000 1.136 163 F CA -0.874 57.295 58.000 0.281 0.000 0.930 163 F CB 1.877 40.972 39.000 0.159 0.000 1.166 163 F HN -0.111 nan 8.300 nan 0.000 0.436 164 G N 1.815 110.720 108.800 0.174 0.000 2.582 164 G HA2 0.341 4.293 3.960 -0.013 0.000 0.232 164 G HA3 0.341 4.293 3.960 -0.013 0.000 0.232 164 G C -0.538 174.306 174.900 -0.092 0.000 1.458 164 G CA -0.667 44.369 45.100 -0.107 0.000 1.062 164 G HN 0.545 nan 8.290 nan 0.000 0.566 165 I N 1.077 121.507 120.570 -0.234 0.000 2.683 165 I HA 0.217 4.379 4.170 -0.013 0.000 0.286 165 I C 0.511 176.527 176.117 -0.169 0.000 1.175 165 I CA -1.093 60.056 61.300 -0.252 0.000 1.429 165 I CB -0.306 37.452 38.000 -0.403 0.000 1.371 165 I HN 0.321 nan 8.210 nan 0.000 0.569 166 F N 6.280 126.238 119.950 0.013 0.000 2.589 166 F HA 0.241 4.761 4.527 -0.013 0.000 0.352 166 F C 0.520 176.367 175.800 0.079 0.000 1.168 166 F CA -0.569 57.461 58.000 0.050 0.000 1.353 166 F CB -0.320 38.699 39.000 0.033 0.000 1.116 166 F HN 0.421 nan 8.300 nan 0.000 0.608 167 N N 2.303 121.172 118.700 0.282 0.000 2.497 167 N HA 0.042 4.774 4.740 -0.013 0.000 0.271 167 N C -0.800 174.937 175.510 0.378 0.000 1.142 167 N CA -0.254 52.937 53.050 0.235 0.000 0.965 167 N CB 1.171 39.782 38.487 0.206 0.000 1.077 167 N HN 0.744 nan 8.380 nan 0.000 0.462 168 Q N 2.521 122.514 119.800 0.323 0.000 2.303 168 Q HA 0.161 4.493 4.340 -0.013 0.000 0.257 168 Q C -0.960 175.207 176.000 0.278 0.000 0.941 168 Q CA -0.444 55.587 55.803 0.380 0.000 0.931 168 Q CB 0.662 29.627 28.738 0.379 0.000 1.215 168 Q HN 0.227 nan 8.270 nan 0.000 0.437 169 K N 4.170 124.712 120.400 0.236 0.000 2.207 169 K HA 0.469 4.781 4.320 -0.013 0.000 0.255 169 K C -0.565 176.135 176.600 0.167 0.000 0.941 169 K CA -0.871 55.532 56.287 0.193 0.000 0.825 169 K CB 1.568 34.159 32.500 0.152 0.000 1.119 169 K HN 0.618 nan 8.250 nan 0.000 0.430 170 I N 1.913 122.575 120.570 0.153 0.000 2.330 170 I HA 0.167 4.330 4.170 -0.013 0.000 0.289 170 I C -0.136 176.038 176.117 0.096 0.000 1.001 170 I CA -0.719 60.640 61.300 0.098 0.000 1.193 170 I CB 0.937 38.972 38.000 0.059 0.000 1.345 170 I HN 0.467 nan 8.210 nan 0.000 0.461 171 C N 5.097 124.463 119.300 0.110 0.000 2.346 171 C HA 0.630 5.082 4.460 -0.013 0.000 0.326 171 C C 1.140 176.231 174.990 0.169 0.000 1.224 171 C CA 0.272 59.361 59.018 0.118 0.000 1.408 171 C CB -0.043 27.761 27.740 0.106 0.000 2.089 171 C HN 1.102 nan 8.230 nan 0.000 0.456 172 G N 3.949 112.823 108.800 0.123 0.000 2.225 172 G HA2 0.071 4.023 3.960 -0.013 0.000 0.267 172 G HA3 0.071 4.023 3.960 -0.013 0.000 0.267 172 G C 1.210 176.128 174.900 0.030 0.000 1.024 172 G CA 1.178 46.360 45.100 0.137 0.000 0.784 172 G HN 2.595 nan 8.290 nan 0.000 0.507 173 G N -2.950 105.810 108.800 -0.068 0.000 2.179 173 G HA2 -0.287 3.665 3.960 -0.013 0.000 0.260 173 G HA3 -0.287 3.665 3.960 -0.013 0.000 0.260 173 G C 0.341 174.995 174.900 -0.409 0.000 0.977 173 G CA 0.649 45.583 45.100 -0.275 0.000 0.641 173 G HN 1.199 nan 8.290 nan 0.000 0.533 174 W N 0.700 121.945 121.300 -0.092 0.000 2.512 174 W HA 0.660 5.312 4.660 -0.013 0.000 0.335 174 W C 0.625 177.090 176.519 -0.089 0.000 1.088 174 W CA -0.931 56.355 57.345 -0.098 0.000 1.236 174 W CB 0.865 30.285 29.460 -0.066 0.000 1.307 174 W HN 0.237 nan 8.180 nan 0.000 0.567 175 Q N 3.184 123.083 119.800 0.164 0.000 2.297 175 Q HA 0.206 4.538 4.340 -0.013 0.000 0.267 175 Q C -0.545 175.517 176.000 0.104 0.000 1.006 175 Q CA 0.164 56.036 55.803 0.115 0.000 0.896 175 Q CB 0.527 29.328 28.738 0.105 0.000 1.186 175 Q HN 0.313 nan 8.270 nan 0.000 0.392 176 M N 3.100 122.756 119.600 0.095 0.000 2.508 176 M HA 0.392 4.864 4.480 -0.013 0.000 0.327 176 M C -0.986 175.334 176.300 0.034 0.000 1.160 176 M CA -0.663 54.661 55.300 0.040 0.000 0.980 176 M CB 1.755 34.388 32.600 0.055 0.000 1.693 176 M HN 0.606 nan 8.290 nan 0.000 0.452 177 E N 1.598 121.753 120.200 -0.075 0.000 2.179 177 E HA 0.485 4.827 4.350 -0.013 0.000 0.275 177 E C -0.909 175.693 176.600 0.003 0.000 0.945 177 E CA -0.534 55.799 56.400 -0.112 0.000 0.792 177 E CB 1.608 31.008 29.700 -0.499 0.000 1.125 177 E HN 0.452 nan 8.360 nan 0.000 0.397 178 E N 0.793 121.066 120.200 0.121 0.000 2.343 178 E HA 0.710 5.052 4.350 -0.013 0.000 0.270 178 E C -1.031 175.655 176.600 0.142 0.000 0.895 178 E CA -1.623 54.834 56.400 0.095 0.000 0.767 178 E CB 1.491 31.249 29.700 0.097 0.000 1.248 178 E HN 0.458 nan 8.360 nan 0.000 0.440 179 A N 1.651 124.510 122.820 0.066 0.000 2.546 179 A HA 0.014 4.326 4.320 -0.013 0.000 0.243 179 A C -0.099 177.645 177.584 0.266 0.000 1.063 179 A CA 0.145 52.226 52.037 0.073 0.000 0.757 179 A CB -0.177 18.717 19.000 -0.176 0.000 0.991 179 A HN 0.672 nan 8.150 nan 0.000 0.503 180 D N 1.870 122.495 120.400 0.376 0.000 2.483 180 D HA 0.180 4.812 4.640 -0.013 0.000 0.220 180 D C -0.387 176.249 176.300 0.561 0.000 1.173 180 D CA -0.147 54.085 54.000 0.388 0.000 0.964 180 D CB 0.341 41.300 40.800 0.265 0.000 1.046 180 D HN 0.379 nan 8.370 nan 0.000 0.517 181 D N 3.990 124.674 120.400 0.474 0.000 2.845 181 D HA -0.016 4.616 4.640 -0.013 0.000 0.235 181 D C 1.106 177.538 176.300 0.220 0.000 1.158 181 D CA -0.563 53.643 54.000 0.343 0.000 0.990 181 D CB -0.198 40.792 40.800 0.316 0.000 1.094 181 D HN 0.566 nan 8.370 nan 0.000 0.486 182 W N 1.601 122.933 121.300 0.053 0.000 2.525 182 W HA -0.030 4.623 4.660 -0.013 0.000 0.259 182 W C 0.111 176.678 176.519 0.081 0.000 1.253 182 W CA 0.104 57.499 57.345 0.084 0.000 1.262 182 W CB -0.708 28.800 29.460 0.080 0.000 1.122 182 W HN 0.168 nan 8.180 nan 0.000 0.607 183 L N 1.025 121.889 121.223 -0.597 0.000 2.607 183 L HA 0.192 4.524 4.340 -0.013 0.000 0.228 183 L C 2.756 179.460 176.870 -0.277 0.000 1.123 183 L CA -0.035 54.430 54.840 -0.626 0.000 0.890 183 L CB -0.594 40.953 42.059 -0.852 0.000 1.103 183 L HN -0.108 nan 8.230 nan 0.000 0.468 184 R N 0.540 120.937 120.500 -0.172 0.000 2.096 184 R HA -0.226 4.106 4.340 -0.013 0.000 0.240 184 R C 1.413 177.547 176.300 -0.276 0.000 1.139 184 R CA 2.067 58.030 56.100 -0.229 0.000 0.952 184 R CB -0.193 29.946 30.300 -0.270 0.000 0.854 184 R HN 0.304 nan 8.270 nan 0.000 0.436 185 Y N -0.359 119.956 120.300 0.025 0.000 2.466 185 Y HA 0.309 4.851 4.550 -0.013 0.000 0.272 185 Y C 0.890 176.781 175.900 -0.016 0.000 1.169 185 Y CA 0.527 58.655 58.100 0.048 0.000 1.285 185 Y CB 0.781 39.385 38.460 0.240 0.000 1.078 185 Y HN 0.445 nan 8.280 nan 0.000 0.523 186 G N 1.220 110.062 108.800 0.069 0.000 2.662 186 G HA2 -0.215 3.737 3.960 -0.013 0.000 0.686 186 G HA3 -0.215 3.737 3.960 -0.013 0.000 0.686 186 G C -1.267 173.697 174.900 0.105 0.000 1.271 186 G CA -0.803 44.300 45.100 0.006 0.000 0.816 186 G HN 0.245 nan 8.290 nan 0.000 0.608 187 N N 1.120 119.833 118.700 0.021 0.000 2.569 187 N HA 0.577 5.310 4.740 -0.013 0.000 0.254 187 N C -0.718 174.794 175.510 0.003 0.000 1.004 187 N CA -1.979 51.108 53.050 0.060 0.000 0.904 187 N CB 2.041 40.509 38.487 -0.031 0.000 1.165 187 N HN 0.237 nan 8.380 nan 0.000 0.513 188 P HA 0.020 nan 4.420 nan 0.000 0.229 188 P C 0.609 177.611 177.300 -0.497 0.000 1.160 188 P CA 0.736 63.538 63.100 -0.496 0.000 0.777 188 P CB 0.108 31.220 31.700 -0.981 0.000 0.814 189 W N 1.863 123.175 121.300 0.020 0.000 2.576 189 W HA 0.051 4.703 4.660 -0.012 0.000 0.270 189 W C 1.252 177.809 176.519 0.062 0.000 1.255 189 W CA -0.327 57.024 57.345 0.010 0.000 1.314 189 W CB -0.288 29.178 29.460 0.010 0.000 1.101 189 W HN 0.001 nan 8.180 nan 0.000 0.595 190 E N 1.701 122.075 120.200 0.291 0.000 2.319 190 E HA 0.324 4.667 4.350 -0.013 0.000 0.268 190 E C -0.614 176.154 176.600 0.280 0.000 1.050 190 E CA -0.764 55.815 56.400 0.299 0.000 0.878 190 E CB 1.294 31.180 29.700 0.311 0.000 1.066 190 E HN -0.318 nan 8.360 nan 0.000 0.406 191 K N 1.688 122.268 120.400 0.300 0.000 2.483 191 K HA 0.410 4.722 4.320 -0.013 0.000 0.256 191 K C -1.139 175.494 176.600 0.056 0.000 0.961 191 K CA -0.489 55.910 56.287 0.187 0.000 0.873 191 K CB 1.483 34.094 32.500 0.185 0.000 1.107 191 K HN 0.666 nan 8.250 nan 0.000 0.432 192 A N 4.327 127.097 122.820 -0.083 0.000 2.511 192 A HA 0.275 4.587 4.320 -0.013 0.000 0.242 192 A C -0.262 177.166 177.584 -0.260 0.000 1.069 192 A CA -0.014 51.721 52.037 -0.502 0.000 0.763 192 A CB 0.174 18.870 19.000 -0.505 0.000 1.001 192 A HN 0.672 nan 8.150 nan 0.000 0.498 193 R N 3.495 123.842 120.500 -0.255 0.000 2.868 193 R HA 0.206 4.538 4.340 -0.013 0.000 0.289 193 R C -2.343 173.953 176.300 -0.006 0.000 1.443 193 R CA -1.783 54.307 56.100 -0.016 0.000 1.651 193 R CB 0.628 31.040 30.300 0.188 0.000 1.242 193 R HN 0.571 nan 8.270 nan 0.000 0.621 194 P HA -0.181 nan 4.420 nan 0.000 0.221 194 P C 0.920 178.192 177.300 -0.047 0.000 1.145 194 P CA 1.093 64.164 63.100 -0.049 0.000 0.795 194 P CB 0.385 32.048 31.700 -0.062 0.000 0.775 195 E N -0.236 119.879 120.200 -0.143 0.000 2.347 195 E HA -0.127 4.215 4.350 -0.013 0.000 0.196 195 E C 0.664 177.037 176.600 -0.379 0.000 1.008 195 E CA 0.797 57.016 56.400 -0.302 0.000 0.852 195 E CB -0.844 28.576 29.700 -0.467 0.000 0.783 195 E HN 0.278 nan 8.360 nan 0.000 0.505 196 F N 1.875 121.841 119.950 0.026 0.000 2.684 196 F HA 0.244 4.763 4.527 -0.013 0.000 0.298 196 F C 0.423 176.318 175.800 0.158 0.000 1.120 196 F CA -0.318 57.729 58.000 0.078 0.000 1.332 196 F CB 0.336 39.377 39.000 0.067 0.000 0.986 196 F HN -0.289 nan 8.300 nan 0.000 0.524 197 T N 2.881 117.575 114.554 0.233 0.000 2.928 197 T HA 0.271 4.614 4.350 -0.013 0.000 0.305 197 T C -0.232 174.565 174.700 0.162 0.000 1.035 197 T CA 0.324 62.558 62.100 0.224 0.000 1.145 197 T CB 0.620 69.571 68.868 0.139 0.000 0.963 197 T HN -0.171 nan 8.240 nan 0.000 0.545 198 L N 5.912 127.203 121.223 0.114 0.000 2.370 198 L HA 0.558 4.891 4.340 -0.013 0.000 0.266 198 L C -2.203 174.621 176.870 -0.076 0.000 1.002 198 L CA -2.630 52.204 54.840 -0.010 0.000 0.818 198 L CB 1.848 43.835 42.059 -0.120 0.000 1.325 198 L HN 0.383 nan 8.230 nan 0.000 0.418 199 P HA 0.360 nan 4.420 nan 0.000 0.284 199 P C -1.147 176.028 177.300 -0.208 0.000 1.253 199 P CA -0.355 62.664 63.100 -0.134 0.000 0.800 199 P CB 1.635 33.253 31.700 -0.136 0.000 0.961 200 V N 3.829 123.604 119.914 -0.231 0.000 2.604 200 V HA 0.338 4.450 4.120 -0.013 0.000 0.305 200 V C 0.165 176.050 176.094 -0.348 0.000 1.043 200 V CA -0.613 61.540 62.300 -0.245 0.000 0.888 200 V CB 1.461 33.184 31.823 -0.165 0.000 0.995 200 V HN 0.600 nan 8.190 nan 0.000 0.429 201 H N 3.716 122.637 119.070 -0.250 0.000 2.472 201 H HA 0.627 5.176 4.556 -0.013 0.000 0.338 201 H C -1.301 173.769 175.328 -0.429 0.000 1.133 201 H CA -0.152 55.686 56.048 -0.349 0.000 1.216 201 H CB 1.953 31.299 29.762 -0.693 0.000 1.497 201 H HN 0.486 nan 8.280 nan 0.000 0.500 202 F N 0.323 120.350 119.950 0.128 0.000 2.613 202 F HA 0.211 4.730 4.527 -0.013 0.000 0.314 202 F C -0.236 175.700 175.800 0.226 0.000 1.075 202 F CA -0.541 57.538 58.000 0.131 0.000 0.945 202 F CB 1.099 40.082 39.000 -0.029 0.000 1.310 202 F HN 0.556 nan 8.300 nan 0.000 0.467 203 Y N 0.175 120.784 120.300 0.515 0.000 2.904 203 Y HA -0.016 4.526 4.550 -0.013 0.000 0.466 203 Y C 1.359 177.519 175.900 0.433 0.000 1.202 203 Y CA 0.698 59.016 58.100 0.364 0.000 2.492 203 Y CB -1.910 36.692 38.460 0.237 0.000 1.237 203 Y HN 1.282 nan 8.280 nan 0.000 0.633 204 G N 0.658 109.740 108.800 0.470 0.000 2.593 204 G HA2 0.085 4.038 3.960 -0.013 0.000 0.237 204 G HA3 0.085 4.038 3.960 -0.013 0.000 0.237 204 G C -0.575 174.543 174.900 0.365 0.000 1.312 204 G CA 0.942 46.241 45.100 0.332 0.000 0.896 204 G HN 1.377 nan 8.290 nan 0.000 0.574 205 R N -2.510 118.204 120.500 0.357 0.000 2.734 205 R HA 0.692 5.024 4.340 -0.013 0.000 0.271 205 R C -1.385 175.061 176.300 0.243 0.000 1.021 205 R CA -1.009 55.240 56.100 0.249 0.000 0.893 205 R CB 1.363 31.753 30.300 0.151 0.000 1.244 205 R HN 0.862 nan 8.270 nan 0.000 0.464 206 V N 0.935 120.905 119.914 0.093 0.000 2.394 206 V HA 0.342 4.454 4.120 -0.013 0.000 0.282 206 V C -0.218 175.817 176.094 -0.097 0.000 1.031 206 V CA -0.435 61.845 62.300 -0.034 0.000 0.881 206 V CB 1.278 33.006 31.823 -0.158 0.000 0.982 206 V HN 0.750 nan 8.190 nan 0.000 0.451 207 E N 3.252 123.373 120.200 -0.133 0.000 2.165 207 E HA 0.376 4.718 4.350 -0.013 0.000 0.266 207 E C -0.988 175.494 176.600 -0.196 0.000 0.889 207 E CA -0.691 55.652 56.400 -0.095 0.000 0.756 207 E CB 0.811 30.505 29.700 -0.011 0.000 1.131 207 E HN 0.729 nan 8.360 nan 0.000 0.411 208 H N 2.918 122.004 119.070 0.027 0.000 2.552 208 H HA 0.195 4.744 4.556 -0.013 0.000 0.311 208 H C 0.295 175.632 175.328 0.016 0.000 1.071 208 H CA -0.157 55.901 56.048 0.017 0.000 1.307 208 H CB 1.272 31.040 29.762 0.009 0.000 1.416 208 H HN 0.576 nan 8.280 nan 0.000 0.464 209 T N -0.797 113.819 114.554 0.104 0.000 2.844 209 T HA 0.188 4.530 4.350 -0.013 0.000 0.274 209 T C 1.431 176.167 174.700 0.061 0.000 0.991 209 T CA -0.718 61.422 62.100 0.066 0.000 0.983 209 T CB 0.894 69.785 68.868 0.038 0.000 1.310 209 T HN 0.364 nan 8.240 nan 0.000 0.596 210 S N -0.139 115.586 115.700 0.042 0.000 2.399 210 S HA -0.065 4.397 4.470 -0.013 0.000 0.231 210 S C 1.126 175.746 174.600 0.033 0.000 1.022 210 S CA 1.038 59.258 58.200 0.033 0.000 0.983 210 S CB -0.397 62.818 63.200 0.025 0.000 0.803 210 S HN 0.713 nan 8.310 nan 0.000 0.480 211 Q N 0.502 120.322 119.800 0.034 0.000 2.815 211 Q HA 0.513 4.846 4.340 -0.013 0.000 0.329 211 Q C 0.233 176.254 176.000 0.036 0.000 1.037 211 Q CA 0.187 56.009 55.803 0.031 0.000 1.002 211 Q CB 0.199 28.952 28.738 0.024 0.000 1.274 211 Q HN 0.437 nan 8.270 nan 0.000 0.452 212 G N 0.504 109.335 108.800 0.051 0.000 2.796 212 G HA2 -0.008 3.944 3.960 -0.013 0.000 0.571 212 G HA3 -0.008 3.944 3.960 -0.013 0.000 0.571 212 G C -0.505 174.427 174.900 0.053 0.000 1.370 212 G CA -0.619 44.518 45.100 0.062 0.000 0.856 212 G HN 0.762 nan 8.290 nan 0.000 0.538 213 A N 0.097 122.935 122.820 0.030 0.000 2.371 213 A HA 0.701 5.013 4.320 -0.013 0.000 0.257 213 A C 0.503 178.047 177.584 -0.066 0.000 1.089 213 A CA 0.365 52.348 52.037 -0.090 0.000 0.794 213 A CB 0.574 19.481 19.000 -0.154 0.000 1.029 213 A HN 0.757 nan 8.150 nan 0.000 0.488 214 K N 0.828 121.178 120.400 -0.083 0.000 2.378 214 K HA 0.218 4.531 4.320 -0.013 0.000 0.252 214 K C -1.779 174.859 176.600 0.063 0.000 0.931 214 K CA -0.363 55.920 56.287 -0.007 0.000 0.794 214 K CB 2.220 34.717 32.500 -0.005 0.000 1.181 214 K HN 0.734 nan 8.250 nan 0.000 0.425 215 W N 5.280 126.503 121.300 -0.128 0.000 2.311 215 W HA 0.340 4.992 4.660 -0.013 0.000 0.317 215 W C -0.671 175.794 176.519 -0.090 0.000 1.065 215 W CA -0.812 56.465 57.345 -0.114 0.000 1.364 215 W CB 0.152 29.532 29.460 -0.132 0.000 1.233 215 W HN 0.321 nan 8.180 nan 0.000 0.409 216 V N 2.751 122.713 119.914 0.080 0.000 3.113 216 V HA 0.614 4.726 4.120 -0.013 0.000 0.316 216 V C -0.133 175.938 176.094 -0.038 0.000 1.125 216 V CA -0.930 61.346 62.300 -0.041 0.000 1.026 216 V CB 1.958 33.786 31.823 0.009 0.000 1.080 216 V HN 0.458 nan 8.190 nan 0.000 0.444 217 D N 0.184 120.563 120.400 -0.034 0.000 2.772 217 D HA -0.139 4.494 4.640 -0.013 0.000 0.233 217 D C 0.556 176.862 176.300 0.011 0.000 1.143 217 D CA 1.509 55.512 54.000 0.005 0.000 0.700 217 D CB -1.651 39.174 40.800 0.042 0.000 1.076 217 D HN 1.302 nan 8.370 nan 0.000 0.430 218 T N -2.778 111.737 114.554 -0.065 0.000 2.849 218 T HA 0.474 4.816 4.350 -0.013 0.000 0.284 218 T C 0.468 175.224 174.700 0.092 0.000 1.004 218 T CA -0.705 61.371 62.100 -0.041 0.000 1.021 218 T CB 1.874 70.568 68.868 -0.290 0.000 1.013 218 T HN 0.048 nan 8.240 nan 0.000 0.527 219 Q N 0.545 120.468 119.800 0.205 0.000 2.241 219 Q HA 0.578 4.910 4.340 -0.013 0.000 0.254 219 Q C -0.991 175.136 176.000 0.212 0.000 0.917 219 Q CA -0.897 55.053 55.803 0.245 0.000 0.919 219 Q CB 1.941 30.903 28.738 0.373 0.000 1.237 219 Q HN 0.511 nan 8.270 nan 0.000 0.434 220 V N 3.089 123.088 119.914 0.142 0.000 2.435 220 V HA 0.415 4.527 4.120 -0.013 0.000 0.290 220 V C -0.338 175.834 176.094 0.129 0.000 1.030 220 V CA -0.647 61.650 62.300 -0.004 0.000 0.881 220 V CB 1.696 33.452 31.823 -0.113 0.000 0.983 220 V HN 0.492 nan 8.190 nan 0.000 0.445 221 V N 5.925 125.925 119.914 0.143 0.000 2.604 221 V HA 0.484 4.596 4.120 -0.013 0.000 0.305 221 V C -0.138 176.048 176.094 0.153 0.000 1.043 221 V CA -0.656 61.745 62.300 0.168 0.000 0.888 221 V CB 1.960 33.952 31.823 0.282 0.000 0.995 221 V HN 0.636 nan 8.190 nan 0.000 0.429 222 L N 3.537 124.841 121.223 0.135 0.000 2.350 222 L HA 0.710 5.043 4.340 -0.013 0.000 0.275 222 L C 0.470 177.515 176.870 0.292 0.000 1.099 222 L CA -0.296 54.630 54.840 0.143 0.000 0.808 222 L CB 1.282 43.405 42.059 0.106 0.000 1.149 222 L HN 0.760 nan 8.230 nan 0.000 0.442 223 A N 5.173 128.111 122.820 0.198 0.000 2.267 223 A HA 0.560 4.873 4.320 -0.013 0.000 0.315 223 A C -0.459 177.389 177.584 0.441 0.000 1.297 223 A CA -0.473 51.715 52.037 0.252 0.000 0.865 223 A CB 0.871 19.569 19.000 -0.503 0.000 1.165 223 A HN 0.785 nan 8.150 nan 0.000 0.513 224 M N 6.000 125.917 119.600 0.528 0.000 2.129 224 M HA 0.438 4.910 4.480 -0.013 0.000 0.348 224 M C -2.570 174.003 176.300 0.456 0.000 1.116 224 M CA -2.131 53.427 55.300 0.431 0.000 1.022 224 M CB 1.882 34.657 32.600 0.292 0.000 1.599 224 M HN 0.346 nan 8.290 nan 0.000 0.449 225 P HA 0.251 nan 4.420 nan 0.000 0.284 225 P C -1.938 175.297 177.300 -0.108 0.000 1.253 225 P CA -0.018 62.996 63.100 -0.144 0.000 0.800 225 P CB 0.533 31.939 31.700 -0.490 0.000 0.961 226 Y N 0.574 120.807 120.300 -0.112 0.000 2.350 226 Y HA 0.340 4.882 4.550 -0.013 0.000 0.338 226 Y C 0.241 176.112 175.900 -0.047 0.000 0.961 226 Y CA -0.303 57.784 58.100 -0.021 0.000 1.100 226 Y CB 1.341 39.823 38.460 0.036 0.000 1.179 226 Y HN 0.220 nan 8.280 nan 0.000 0.454 227 D N 1.841 122.329 120.400 0.148 0.000 2.193 227 D HA 0.406 5.038 4.640 -0.013 0.000 0.244 227 D C -0.622 175.885 176.300 0.346 0.000 1.064 227 D CA -0.236 53.884 54.000 0.199 0.000 0.845 227 D CB 1.738 42.663 40.800 0.208 0.000 1.148 227 D HN 0.377 nan 8.370 nan 0.000 0.464 228 T N 3.218 117.890 114.554 0.197 0.000 2.807 228 T HA 0.466 4.809 4.350 -0.013 0.000 0.279 228 T C -2.517 172.034 174.700 -0.249 0.000 0.993 228 T CA -1.487 60.636 62.100 0.039 0.000 0.970 228 T CB 2.006 70.886 68.868 0.019 0.000 0.950 228 T HN 0.166 nan 8.240 nan 0.000 0.441 229 P HA 0.296 nan 4.420 nan 0.000 0.275 229 P C -0.985 175.980 177.300 -0.559 0.000 1.227 229 P CA -0.371 62.048 63.100 -1.135 0.000 0.781 229 P CB 0.799 31.623 31.700 -1.460 0.000 0.906 230 V N 5.439 125.087 119.914 -0.443 0.000 2.305 230 V HA 0.256 4.368 4.120 -0.013 0.000 0.275 230 V C -2.061 173.897 176.094 -0.227 0.000 1.020 230 V CA -1.907 60.227 62.300 -0.276 0.000 0.811 230 V CB 1.347 33.056 31.823 -0.190 0.000 1.031 230 V HN 0.542 nan 8.190 nan 0.000 0.439 231 P HA 0.269 nan 4.420 nan 0.000 0.280 231 P C 0.346 177.593 177.300 -0.088 0.000 1.244 231 P CA 0.300 63.308 63.100 -0.153 0.000 0.784 231 P CB 1.585 33.192 31.700 -0.155 0.000 0.913 232 G N 2.159 110.926 108.800 -0.055 0.000 2.537 232 G HA2 0.147 4.100 3.960 -0.013 0.000 0.273 232 G HA3 0.147 4.100 3.960 -0.013 0.000 0.273 232 G C -1.161 173.750 174.900 0.019 0.000 1.189 232 G CA -0.614 44.483 45.100 -0.005 0.000 0.881 232 G HN 0.511 nan 8.290 nan 0.000 0.535 233 Y N 0.950 121.211 120.300 -0.064 0.000 2.674 233 Y HA 0.222 4.764 4.550 -0.013 0.000 0.354 233 Y C 1.350 177.212 175.900 -0.062 0.000 1.089 233 Y CA -0.073 57.985 58.100 -0.070 0.000 1.444 233 Y CB -0.144 38.273 38.460 -0.071 0.000 1.187 233 Y HN 0.744 nan 8.280 nan 0.000 0.523 234 R N 2.881 123.105 120.500 -0.460 0.000 3.627 234 R HA -0.323 4.010 4.340 -0.013 0.000 0.281 234 R C 0.157 176.321 176.300 -0.226 0.000 1.140 234 R CA 1.367 57.207 56.100 -0.433 0.000 0.761 234 R CB -2.038 27.833 30.300 -0.715 0.000 1.181 234 R HN 0.945 nan 8.270 nan 0.000 0.472 235 N N -0.773 117.845 118.700 -0.136 0.000 2.171 235 N HA 0.045 4.777 4.740 -0.013 0.000 0.212 235 N C -0.080 175.386 175.510 -0.074 0.000 1.184 235 N CA -0.426 52.576 53.050 -0.080 0.000 0.888 235 N CB 0.471 38.936 38.487 -0.036 0.000 1.038 235 N HN 0.090 nan 8.380 nan 0.000 0.517 236 N N -0.200 118.450 118.700 -0.082 0.000 2.778 236 N HA -0.136 4.596 4.740 -0.013 0.000 0.249 236 N C -0.892 174.580 175.510 -0.064 0.000 1.069 236 N CA 0.616 53.626 53.050 -0.068 0.000 0.831 236 N CB -1.350 37.097 38.487 -0.066 0.000 1.142 236 N HN 0.188 nan 8.380 nan 0.000 0.573 237 V N 1.210 121.091 119.914 -0.056 0.000 2.498 237 V HA 0.383 4.495 4.120 -0.013 0.000 0.279 237 V C 0.667 176.735 176.094 -0.044 0.000 1.048 237 V CA -0.412 61.863 62.300 -0.041 0.000 0.967 237 V CB 2.021 33.845 31.823 0.001 0.000 0.988 237 V HN -0.022 nan 8.190 nan 0.000 0.473 238 V N 5.393 125.287 119.914 -0.033 0.000 2.419 238 V HA 0.437 4.550 4.120 -0.013 0.000 0.287 238 V C -0.102 175.995 176.094 0.004 0.000 1.017 238 V CA -0.851 61.403 62.300 -0.077 0.000 0.844 238 V CB 1.455 33.205 31.823 -0.121 0.000 1.011 238 V HN 0.843 nan 8.190 nan 0.000 0.429 239 N N 1.961 120.632 118.700 -0.048 0.000 2.448 239 N HA 0.574 5.306 4.740 -0.013 0.000 0.274 239 N C -0.056 175.450 175.510 -0.007 0.000 1.239 239 N CA -0.313 52.731 53.050 -0.010 0.000 0.982 239 N CB 1.228 39.662 38.487 -0.088 0.000 1.199 239 N HN 0.581 nan 8.380 nan 0.000 0.576 240 T N 0.739 115.297 114.554 0.006 0.000 2.841 240 T HA 0.399 4.741 4.350 -0.013 0.000 0.283 240 T C -0.248 174.416 174.700 -0.060 0.000 1.000 240 T CA -0.510 61.656 62.100 0.110 0.000 0.977 240 T CB 1.101 70.142 68.868 0.288 0.000 0.979 240 T HN 0.291 nan 8.240 nan 0.000 0.446 241 M N 3.715 123.244 119.600 -0.119 0.000 2.101 241 M HA 0.493 4.966 4.480 -0.013 0.000 0.340 241 M C -0.457 175.686 176.300 -0.262 0.000 1.057 241 M CA -0.738 54.402 55.300 -0.267 0.000 0.984 241 M CB 0.687 33.075 32.600 -0.354 0.000 1.560 241 M HN 0.483 nan 8.290 nan 0.000 0.435 242 R N 5.965 126.195 120.500 -0.449 0.000 2.265 242 R HA 0.614 4.947 4.340 -0.013 0.000 0.328 242 R C -1.949 174.047 176.300 -0.508 0.000 0.969 242 R CA -0.421 55.361 56.100 -0.531 0.000 0.832 242 R CB 0.835 30.636 30.300 -0.832 0.000 1.139 242 R HN 0.809 nan 8.270 nan 0.000 0.457 243 L N 5.055 126.089 121.223 -0.315 0.000 2.322 243 L HA 0.504 4.836 4.340 -0.013 0.000 0.281 243 L C -0.831 175.989 176.870 -0.084 0.000 1.014 243 L CA -0.906 53.848 54.840 -0.142 0.000 0.815 243 L CB 1.511 43.574 42.059 0.006 0.000 1.247 243 L HN 0.583 nan 8.230 nan 0.000 0.421 244 W N 1.899 123.314 121.300 0.193 0.000 2.365 244 W HA 0.496 5.148 4.660 -0.013 0.000 0.316 244 W C 0.538 177.279 176.519 0.370 0.000 1.164 244 W CA -0.215 57.268 57.345 0.231 0.000 1.204 244 W CB 1.536 30.997 29.460 0.001 0.000 1.213 244 W HN 0.347 nan 8.180 nan 0.000 0.539 245 S N 1.923 118.025 115.700 0.671 0.000 2.503 245 S HA 0.794 5.256 4.470 -0.013 0.000 0.301 245 S C -0.482 174.451 174.600 0.555 0.000 1.087 245 S CA -0.711 57.788 58.200 0.498 0.000 1.042 245 S CB 0.713 64.139 63.200 0.376 0.000 1.043 245 S HN 0.532 nan 8.310 nan 0.000 0.489 246 A N 4.593 127.576 122.820 0.272 0.000 2.328 246 A HA 0.687 4.999 4.320 -0.013 0.000 0.284 246 A C -0.187 177.452 177.584 0.091 0.000 1.160 246 A CA -0.360 51.733 52.037 0.092 0.000 0.818 246 A CB 0.413 19.190 19.000 -0.372 0.000 1.087 246 A HN 0.664 nan 8.150 nan 0.000 0.504 247 K N 1.045 121.509 120.400 0.106 0.000 2.468 247 K HA 0.601 4.913 4.320 -0.013 0.000 0.252 247 K C -0.554 176.025 176.600 -0.034 0.000 0.932 247 K CA -0.426 55.888 56.287 0.046 0.000 0.794 247 K CB 2.234 34.795 32.500 0.103 0.000 1.241 247 K HN 0.847 nan 8.250 nan 0.000 0.428 248 A N 4.342 127.082 122.820 -0.134 0.000 2.388 248 A HA 0.447 4.759 4.320 -0.013 0.000 0.257 248 A C -2.112 175.436 177.584 -0.060 0.000 1.095 248 A CA -1.047 50.837 52.037 -0.256 0.000 0.791 248 A CB -0.292 18.399 19.000 -0.516 0.000 1.029 248 A HN 0.341 nan 8.150 nan 0.000 0.489 249 P HA 0.074 nan 4.420 nan 0.000 0.269 249 P C 0.057 177.434 177.300 0.129 0.000 1.215 249 P CA -0.307 62.849 63.100 0.094 0.000 0.780 249 P CB 0.555 32.334 31.700 0.132 0.000 0.898 250 N N 1.071 119.832 118.700 0.101 0.000 2.396 250 N HA -0.118 4.614 4.740 -0.013 0.000 0.180 250 N C 0.769 176.353 175.510 0.122 0.000 1.028 250 N CA 1.072 54.182 53.050 0.101 0.000 0.893 250 N CB -0.457 38.074 38.487 0.074 0.000 0.967 250 N HN 0.552 nan 8.380 nan 0.000 0.440 251 D N -0.914 119.561 120.400 0.125 0.000 2.328 251 D HA -0.063 4.569 4.640 -0.013 0.000 0.221 251 D C 0.117 176.491 176.300 0.123 0.000 1.072 251 D CA -0.550 53.514 54.000 0.107 0.000 0.850 251 D CB -0.964 39.880 40.800 0.073 0.000 0.922 251 D HN 0.057 nan 8.370 nan 0.000 0.516 252 F N 2.050 122.014 119.950 0.024 0.000 2.602 252 F HA 0.059 4.578 4.527 -0.013 0.000 0.385 252 F C 0.674 176.480 175.800 0.009 0.000 1.063 252 F CA 0.283 58.293 58.000 0.018 0.000 1.233 252 F CB 0.086 39.097 39.000 0.017 0.000 1.067 252 F HN -0.152 nan 8.300 nan 0.000 0.564 253 N N 2.631 120.974 118.700 -0.595 0.000 2.732 253 N HA -0.273 4.460 4.740 -0.013 0.000 0.250 253 N C -0.867 174.559 175.510 -0.140 0.000 1.097 253 N CA 1.454 54.265 53.050 -0.398 0.000 0.812 253 N CB -1.297 36.978 38.487 -0.353 0.000 1.148 253 N HN 0.548 nan 8.380 nan 0.000 0.572 262 Y N 0.556 120.859 120.300 0.005 0.000 2.145 262 Y HA -0.067 4.476 4.550 -0.013 0.000 0.286 262 Y C 2.639 178.551 175.900 0.019 0.000 1.145 262 Y CA 2.281 60.388 58.100 0.011 0.000 1.148 262 Y CB -0.051 38.416 38.460 0.011 0.000 0.981 262 Y HN 0.254 nan 8.280 nan 0.000 0.507 263 I N 0.475 120.984 120.570 -0.101 0.000 2.127 263 I HA -0.302 3.860 4.170 -0.013 0.000 0.241 263 I C 2.389 178.409 176.117 -0.161 0.000 1.075 263 I CA 1.789 62.977 61.300 -0.187 0.000 1.334 263 I CB -1.482 36.513 38.000 -0.009 0.000 1.040 263 I HN 0.324 nan 8.210 nan 0.000 0.405 264 Q N 1.124 120.878 119.800 -0.075 0.000 2.135 264 Q HA -0.135 4.197 4.340 -0.013 0.000 0.204 264 Q C 2.234 178.202 176.000 -0.054 0.000 0.981 264 Q CA 2.279 58.053 55.803 -0.047 0.000 0.856 264 Q CB -0.389 28.338 28.738 -0.019 0.000 0.902 264 Q HN 0.485 nan 8.270 nan 0.000 0.425 265 A N -0.827 121.944 122.820 -0.082 0.000 1.908 265 A HA -0.148 4.164 4.320 -0.013 0.000 0.218 265 A C 2.253 179.814 177.584 -0.038 0.000 1.181 265 A CA 1.735 53.735 52.037 -0.062 0.000 0.627 265 A CB -0.789 18.171 19.000 -0.066 0.000 0.818 265 A HN 0.270 nan 8.150 nan 0.000 0.445 266 V N 0.128 119.941 119.914 -0.168 0.000 2.358 266 V HA -0.216 3.896 4.120 -0.013 0.000 0.246 266 V C 2.507 178.575 176.094 -0.044 0.000 1.047 266 V CA 1.749 63.970 62.300 -0.132 0.000 1.035 266 V CB -0.733 30.915 31.823 -0.292 0.000 0.658 266 V HN 0.563 nan 8.190 nan 0.000 0.452 267 L N -0.184 121.007 121.223 -0.052 0.000 2.131 267 L HA -0.153 4.180 4.340 -0.013 0.000 0.210 267 L C 2.008 178.895 176.870 0.029 0.000 1.092 267 L CA 1.271 56.103 54.840 -0.014 0.000 0.759 267 L CB -0.657 41.391 42.059 -0.019 0.000 0.903 267 L HN 0.335 nan 8.230 nan 0.000 0.435 268 D N -0.060 120.382 120.400 0.070 0.000 2.371 268 D HA -0.069 4.563 4.640 -0.013 0.000 0.221 268 D C 2.119 178.572 176.300 0.256 0.000 0.986 268 D CA 0.424 54.514 54.000 0.150 0.000 0.899 268 D CB 0.011 40.902 40.800 0.151 0.000 0.902 268 D HN 0.228 nan 8.370 nan 0.000 0.530 269 R N 0.300 120.895 120.500 0.157 0.000 2.159 269 R HA -0.070 4.262 4.340 -0.013 0.000 0.237 269 R C 1.698 177.900 176.300 -0.162 0.000 1.131 269 R CA 0.908 56.954 56.100 -0.091 0.000 0.982 269 R CB -0.284 29.976 30.300 -0.067 0.000 0.868 269 R HN 0.347 nan 8.270 nan 0.000 0.453 270 N N 0.317 118.992 118.700 -0.043 0.000 2.192 270 N HA -0.192 4.540 4.740 -0.013 0.000 0.188 270 N C 1.222 176.708 175.510 -0.040 0.000 1.013 270 N CA 0.766 53.796 53.050 -0.033 0.000 0.863 270 N CB -0.099 38.390 38.487 0.004 0.000 0.990 270 N HN 0.019 nan 8.380 nan 0.000 0.430 271 L N 1.071 122.287 121.223 -0.011 0.000 2.042 271 L HA -0.136 4.197 4.340 -0.013 0.000 0.210 271 L C 2.463 179.299 176.870 -0.057 0.000 1.076 271 L CA 1.454 56.302 54.840 0.012 0.000 0.749 271 L CB -1.141 40.985 42.059 0.111 0.000 0.893 271 L HN 0.164 nan 8.230 nan 0.000 0.432 272 A N -0.861 121.848 122.820 -0.184 0.000 1.898 272 A HA -0.167 4.145 4.320 -0.013 0.000 0.216 272 A C 2.154 179.615 177.584 -0.205 0.000 1.181 272 A CA 1.377 53.266 52.037 -0.248 0.000 0.620 272 A CB -0.446 18.235 19.000 -0.532 0.000 0.819 272 A HN 0.515 nan 8.150 nan 0.000 0.442 273 E N 0.076 120.168 120.200 -0.179 0.000 2.427 273 E HA -0.078 4.264 4.350 -0.013 0.000 0.196 273 E C 1.054 177.611 176.600 -0.071 0.000 1.028 273 E CA 0.259 56.589 56.400 -0.117 0.000 0.864 273 E CB -0.135 29.517 29.700 -0.079 0.000 0.813 273 E HN 0.459 nan 8.360 nan 0.000 0.514 274 N N 1.021 119.687 118.700 -0.056 0.000 2.443 274 N HA -0.104 4.628 4.740 -0.013 0.000 0.184 274 N C 1.589 177.093 175.510 -0.010 0.000 1.037 274 N CA 0.644 53.690 53.050 -0.007 0.000 0.896 274 N CB -0.057 38.432 38.487 0.003 0.000 0.959 274 N HN 0.260 nan 8.380 nan 0.000 0.442 275 I N 0.390 120.896 120.570 -0.108 0.000 2.194 275 I HA -0.263 3.899 4.170 -0.013 0.000 0.246 275 I C 1.452 177.536 176.117 -0.054 0.000 1.093 275 I CA 1.330 62.536 61.300 -0.156 0.000 1.355 275 I CB -0.210 37.527 38.000 -0.438 0.000 1.046 275 I HN 0.136 nan 8.210 nan 0.000 0.413 276 S N -0.546 115.116 115.700 -0.063 0.000 2.583 276 S HA 0.189 4.651 4.470 -0.013 0.000 0.239 276 S C 1.471 176.204 174.600 0.221 0.000 0.966 276 S CA -0.527 57.725 58.200 0.087 0.000 0.973 276 S CB 0.251 63.485 63.200 0.057 0.000 0.794 276 S HN 0.210 nan 8.310 nan 0.000 0.463 277 R N 1.289 121.922 120.500 0.222 0.000 2.073 277 R HA 0.282 4.615 4.340 -0.013 0.000 0.229 277 R C 0.360 176.911 176.300 0.418 0.000 1.120 277 R CA 1.082 57.353 56.100 0.285 0.000 0.967 277 R CB -0.209 30.225 30.300 0.223 0.000 0.862 277 R HN 0.391 nan 8.270 nan 0.000 0.436 278 V N 0.395 120.515 119.914 0.344 0.000 2.851 278 V HA 0.344 4.456 4.120 -0.013 0.000 0.307 278 V C -1.588 174.460 176.094 -0.076 0.000 1.129 278 V CA -1.382 61.037 62.300 0.198 0.000 0.932 278 V CB 1.766 33.636 31.823 0.078 0.000 1.024 278 V HN 0.149 nan 8.190 nan 0.000 0.426 279 L N 6.961 127.901 121.223 -0.471 0.000 2.410 279 L HA 0.435 4.768 4.340 -0.013 0.000 0.273 279 L C -0.774 175.934 176.870 -0.270 0.000 1.144 279 L CA 0.492 54.862 54.840 -0.783 0.000 0.863 279 L CB 0.321 41.880 42.059 -0.834 0.000 1.140 279 L HN 0.679 nan 8.230 nan 0.000 0.463 280 Y N 7.099 127.311 120.300 -0.147 0.000 2.650 280 Y HA 0.158 4.700 4.550 -0.013 0.000 0.331 280 Y C -1.354 174.547 175.900 0.002 0.000 1.165 280 Y CA -1.145 56.944 58.100 -0.018 0.000 1.473 280 Y CB 0.239 38.715 38.460 0.027 0.000 1.224 280 Y HN 0.573 nan 8.280 nan 0.000 0.533 281 P HA 0.024 nan 4.420 nan 0.000 0.244 281 P C -0.862 176.583 177.300 0.240 0.000 1.632 281 P CA 0.097 63.314 63.100 0.195 0.000 0.944 281 P CB 0.092 31.992 31.700 0.333 0.000 1.569 282 N N 1.395 120.243 118.700 0.248 0.000 2.419 282 N HA 0.118 4.851 4.740 -0.013 0.000 0.264 282 N C -0.476 175.190 175.510 0.260 0.000 1.031 282 N CA 0.183 53.404 53.050 0.284 0.000 0.951 282 N CB 1.265 39.960 38.487 0.346 0.000 1.101 282 N HN 0.112 nan 8.380 nan 0.000 0.488 283 D N 2.128 122.706 120.400 0.297 0.000 2.349 283 D HA 0.121 4.753 4.640 -0.013 0.000 0.232 283 D C -0.177 176.339 176.300 0.361 0.000 1.071 283 D CA -0.157 54.016 54.000 0.288 0.000 0.832 283 D CB 0.376 41.342 40.800 0.276 0.000 1.086 283 D HN 0.370 nan 8.370 nan 0.000 0.504 284 N N 2.849 121.725 118.700 0.293 0.000 2.740 284 N HA -0.263 4.470 4.740 -0.013 0.000 0.248 284 N C -1.085 174.657 175.510 0.386 0.000 1.062 284 N CA 0.692 53.902 53.050 0.267 0.000 0.704 284 N CB -1.085 37.505 38.487 0.171 0.000 0.968 284 N HN 0.407 nan 8.380 nan 0.000 0.547 285 F N 0.524 120.580 119.950 0.177 0.000 2.604 285 F HA 0.449 4.968 4.527 -0.013 0.000 0.316 285 F C -1.232 174.653 175.800 0.141 0.000 1.136 285 F CA -1.147 56.936 58.000 0.138 0.000 0.989 285 F CB 0.979 40.026 39.000 0.079 0.000 1.258 285 F HN -0.021 nan 8.300 nan 0.000 0.451 286 F N 6.014 125.537 119.950 -0.712 0.000 2.405 286 F HA 0.451 4.970 4.527 -0.013 0.000 0.355 286 F C -0.400 174.934 175.800 -0.777 0.000 1.121 286 F CA -0.162 57.479 58.000 -0.599 0.000 1.112 286 F CB 0.688 39.392 39.000 -0.493 0.000 1.126 286 F HN 0.574 nan 8.300 nan 0.000 0.481 287 E N 4.210 123.781 120.200 -1.047 0.000 2.114 287 E HA 0.299 4.641 4.350 -0.013 0.000 0.266 287 E C -0.026 175.826 176.600 -1.246 0.000 0.896 287 E CA -0.709 55.174 56.400 -0.863 0.000 0.750 287 E CB 1.310 30.877 29.700 -0.222 0.000 1.121 287 E HN 0.925 nan 8.360 nan 0.000 0.413 288 G N 5.241 113.274 108.800 -1.279 0.000 3.401 288 G HA2 0.034 3.986 3.960 -0.013 0.000 0.251 288 G HA3 0.034 3.986 3.960 -0.013 0.000 0.251 288 G C -0.021 174.790 174.900 -0.148 0.000 0.960 288 G CA -0.219 44.289 45.100 -0.986 0.000 1.900 288 G HN 0.200 nan 8.290 nan 0.000 0.645 289 K N 0.381 120.758 120.400 -0.039 0.000 2.110 289 K HA 0.199 4.511 4.320 -0.013 0.000 0.263 289 K C 0.953 177.690 176.600 0.227 0.000 0.975 289 K CA -0.671 55.688 56.287 0.118 0.000 0.895 289 K CB 2.209 34.776 32.500 0.111 0.000 1.060 289 K HN 0.389 nan 8.250 nan 0.000 0.448 290 E N 1.531 121.832 120.200 0.168 0.000 2.085 290 E HA -0.214 4.128 4.350 -0.013 0.000 0.194 290 E C 1.534 178.163 176.600 0.047 0.000 0.994 290 E CA 1.065 57.517 56.400 0.087 0.000 0.801 290 E CB 0.167 29.921 29.700 0.090 0.000 0.743 290 E HN 0.390 nan 8.360 nan 0.000 0.453 291 L N 1.324 122.617 121.223 0.117 0.000 2.042 291 L HA -0.181 4.152 4.340 -0.013 0.000 0.210 291 L C 2.469 179.433 176.870 0.156 0.000 1.076 291 L CA 1.828 56.755 54.840 0.146 0.000 0.749 291 L CB -0.527 41.685 42.059 0.256 0.000 0.893 291 L HN 0.010 nan 8.230 nan 0.000 0.432 292 R N -0.602 119.940 120.500 0.070 0.000 2.081 292 R HA -0.163 4.169 4.340 -0.013 0.000 0.235 292 R C 2.116 178.458 176.300 0.070 0.000 1.131 292 R CA 1.860 57.930 56.100 -0.050 0.000 0.960 292 R CB -1.035 29.010 30.300 -0.425 0.000 0.856 292 R HN 0.407 nan 8.270 nan 0.000 0.436 293 L N 0.937 122.114 121.223 -0.075 0.000 2.046 293 L HA -0.092 4.240 4.340 -0.013 0.000 0.208 293 L C 1.736 178.545 176.870 -0.102 0.000 1.077 293 L CA 1.910 56.499 54.840 -0.418 0.000 0.747 293 L CB -0.415 41.098 42.059 -0.909 0.000 0.896 293 L HN 0.168 nan 8.230 nan 0.000 0.432 294 K N -0.980 119.405 120.400 -0.025 0.000 2.063 294 K HA -0.210 4.102 4.320 -0.013 0.000 0.208 294 K C 2.084 178.844 176.600 0.267 0.000 1.048 294 K CA 1.848 58.184 56.287 0.081 0.000 0.928 294 K CB -0.205 32.168 32.500 -0.211 0.000 0.713 294 K HN 0.521 nan 8.250 nan 0.000 0.442 295 Q N 0.637 120.563 119.800 0.211 0.000 2.084 295 Q HA -0.194 4.138 4.340 -0.013 0.000 0.202 295 Q C 1.980 178.181 176.000 0.335 0.000 0.978 295 Q CA 1.483 57.469 55.803 0.304 0.000 0.844 295 Q CB -0.041 28.896 28.738 0.331 0.000 0.898 295 Q HN 0.394 nan 8.270 nan 0.000 0.426 296 E N -0.200 120.151 120.200 0.251 0.000 2.077 296 E HA -0.209 4.133 4.350 -0.013 0.000 0.193 296 E C 1.743 178.458 176.600 0.192 0.000 0.989 296 E CA 1.027 57.558 56.400 0.217 0.000 0.800 296 E CB -0.141 29.667 29.700 0.180 0.000 0.746 296 E HN 0.327 nan 8.360 nan 0.000 0.452 297 Y N 0.415 120.763 120.300 0.079 0.000 2.263 297 Y HA -0.207 4.335 4.550 -0.013 0.000 0.292 297 Y C 1.972 177.908 175.900 0.059 0.000 1.130 297 Y CA 1.000 59.103 58.100 0.005 0.000 1.179 297 Y CB -0.341 38.084 38.460 -0.058 0.000 0.998 297 Y HN 0.005 nan 8.280 nan 0.000 0.532 298 F N -0.275 119.684 119.950 0.015 0.000 2.065 298 F HA -0.275 4.244 4.527 -0.013 0.000 0.298 298 F C 2.504 178.164 175.800 -0.233 0.000 1.112 298 F CA 2.078 60.037 58.000 -0.069 0.000 1.212 298 F CB -1.116 37.985 39.000 0.167 0.000 0.975 298 F HN -0.049 nan 8.300 nan 0.000 0.476 299 V N -0.518 119.355 119.914 -0.068 0.000 2.358 299 V HA -0.206 3.906 4.120 -0.013 0.000 0.246 299 V C 2.222 178.173 176.094 -0.237 0.000 1.047 299 V CA 1.899 64.132 62.300 -0.112 0.000 1.035 299 V CB -0.371 31.582 31.823 0.217 0.000 0.658 299 V HN 0.261 nan 8.190 nan 0.000 0.452 300 V N 0.396 120.174 119.914 -0.226 0.000 2.307 300 V HA -0.191 3.921 4.120 -0.013 0.000 0.245 300 V C 2.778 178.616 176.094 -0.428 0.000 1.045 300 V CA 2.180 64.330 62.300 -0.250 0.000 1.024 300 V CB -1.059 30.674 31.823 -0.150 0.000 0.651 300 V HN 0.643 nan 8.190 nan 0.000 0.449 301 A N -0.245 122.148 122.820 -0.712 0.000 1.873 301 A HA -0.051 4.262 4.320 -0.013 0.000 0.215 301 A C 2.405 179.619 177.584 -0.616 0.000 1.186 301 A CA 1.949 53.559 52.037 -0.711 0.000 0.616 301 A CB -0.797 17.565 19.000 -1.063 0.000 0.823 301 A HN 0.550 nan 8.150 nan 0.000 0.442 302 A N -0.899 121.394 122.820 -0.879 0.000 1.877 302 A HA -0.079 4.233 4.320 -0.013 0.000 0.216 302 A C 2.318 179.420 177.584 -0.804 0.000 1.186 302 A CA 2.329 53.654 52.037 -1.188 0.000 0.620 302 A CB -1.326 16.283 19.000 -2.317 0.000 0.822 302 A HN 0.426 nan 8.150 nan 0.000 0.443 303 T N 0.487 114.711 114.554 -0.550 0.000 2.674 303 T HA -0.113 4.230 4.350 -0.013 0.000 0.265 303 T C 1.833 176.277 174.700 -0.427 0.000 1.039 303 T CA 1.497 63.386 62.100 -0.352 0.000 1.150 303 T CB -0.413 68.247 68.868 -0.346 0.000 0.864 303 T HN 0.337 nan 8.240 nan 0.000 0.427 304 L N 0.693 121.708 121.223 -0.346 0.000 2.083 304 L HA -0.169 4.163 4.340 -0.013 0.000 0.209 304 L C 2.929 179.689 176.870 -0.185 0.000 1.083 304 L CA 1.389 56.075 54.840 -0.256 0.000 0.752 304 L CB -0.502 41.444 42.059 -0.189 0.000 0.899 304 L HN 0.368 nan 8.230 nan 0.000 0.433 305 Q N -0.635 119.054 119.800 -0.185 0.000 2.084 305 Q HA -0.247 4.085 4.340 -0.013 0.000 0.202 305 Q C 1.764 177.742 176.000 -0.038 0.000 0.978 305 Q CA 1.717 57.462 55.803 -0.097 0.000 0.844 305 Q CB -0.089 28.578 28.738 -0.118 0.000 0.898 305 Q HN 0.402 nan 8.270 nan 0.000 0.426 306 D N 0.502 120.873 120.400 -0.048 0.000 2.117 306 D HA -0.097 4.535 4.640 -0.013 0.000 0.198 306 D C 1.677 177.936 176.300 -0.069 0.000 0.982 306 D CA 0.846 54.869 54.000 0.038 0.000 0.828 306 D CB -0.016 40.916 40.800 0.220 0.000 0.967 306 D HN 0.156 nan 8.370 nan 0.000 0.464 307 I N 0.129 120.543 120.570 -0.261 0.000 2.179 307 I HA -0.250 3.912 4.170 -0.013 0.000 0.242 307 I C 2.301 178.432 176.117 0.023 0.000 1.088 307 I CA 0.810 61.899 61.300 -0.352 0.000 1.357 307 I CB -0.179 37.455 38.000 -0.610 0.000 1.051 307 I HN 0.046 nan 8.210 nan 0.000 0.409 308 I N 0.194 120.830 120.570 0.111 0.000 2.252 308 I HA -0.280 3.882 4.170 -0.013 0.000 0.245 308 I C 2.795 179.077 176.117 0.275 0.000 1.102 308 I CA 1.102 62.577 61.300 0.292 0.000 1.385 308 I CB -0.431 37.691 38.000 0.203 0.000 1.064 308 I HN 0.199 nan 8.210 nan 0.000 0.414 309 R N 1.312 121.908 120.500 0.161 0.000 2.080 309 R HA -0.230 4.102 4.340 -0.013 0.000 0.236 309 R C 2.490 178.877 176.300 0.145 0.000 1.137 309 R CA 1.846 58.032 56.100 0.143 0.000 0.943 309 R CB -0.309 30.064 30.300 0.122 0.000 0.846 309 R HN 0.219 nan 8.270 nan 0.000 0.431 310 R N -0.597 119.985 120.500 0.137 0.000 2.096 310 R HA -0.172 4.161 4.340 -0.013 0.000 0.235 310 R C 2.197 178.599 176.300 0.171 0.000 1.127 310 R CA 1.716 57.899 56.100 0.138 0.000 0.968 310 R CB -0.377 29.987 30.300 0.107 0.000 0.861 310 R HN 0.297 nan 8.270 nan 0.000 0.440 311 F N 1.344 121.335 119.950 0.069 0.000 2.146 311 F HA -0.100 4.419 4.527 -0.013 0.000 0.298 311 F C 1.687 177.500 175.800 0.021 0.000 1.096 311 F CA 1.518 59.550 58.000 0.053 0.000 1.275 311 F CB 0.055 39.139 39.000 0.140 0.000 1.008 311 F HN -0.133 nan 8.300 nan 0.000 0.480 312 K N -0.434 119.953 120.400 -0.021 0.000 2.155 312 K HA -0.023 4.289 4.320 -0.013 0.000 0.203 312 K C 1.730 178.260 176.600 -0.116 0.000 1.052 312 K CA 1.229 57.429 56.287 -0.145 0.000 0.948 312 K CB -0.222 32.292 32.500 0.025 0.000 0.728 312 K HN 0.104 nan 8.250 nan 0.000 0.448 313 S N 1.208 116.900 115.700 -0.014 0.000 2.701 313 S HA 0.081 4.543 4.470 -0.013 0.000 0.220 313 S C 0.320 174.950 174.600 0.050 0.000 0.954 313 S CA -0.205 58.026 58.200 0.052 0.000 0.936 313 S CB 0.080 63.357 63.200 0.127 0.000 0.777 313 S HN 0.153 nan 8.310 nan 0.000 0.518 325 N N 0.775 119.436 118.700 -0.066 0.000 2.645 325 N HA 0.304 5.036 4.740 -0.013 0.000 0.233 325 N C -0.457 175.110 175.510 0.096 0.000 1.058 325 N CA -0.136 52.940 53.050 0.044 0.000 0.942 325 N CB 0.184 38.696 38.487 0.043 0.000 1.210 325 N HN 0.125 nan 8.380 nan 0.000 0.512 326 F N 1.591 121.650 119.950 0.182 0.000 2.780 326 F HA 0.070 4.589 4.527 -0.013 0.000 0.299 326 F C 1.377 177.237 175.800 0.099 0.000 1.146 326 F CA 0.174 58.245 58.000 0.120 0.000 1.428 326 F CB 0.303 39.262 39.000 -0.068 0.000 1.115 326 F HN 0.457 nan 8.300 nan 0.000 0.583 327 D N 0.283 120.821 120.400 0.230 0.000 2.218 327 D HA -0.157 4.475 4.640 -0.013 0.000 0.204 327 D C 2.139 178.529 176.300 0.150 0.000 0.976 327 D CA 1.245 55.338 54.000 0.155 0.000 0.853 327 D CB -0.100 40.767 40.800 0.112 0.000 0.939 327 D HN 0.240 nan 8.370 nan 0.000 0.481 328 A N -0.727 122.209 122.820 0.193 0.000 2.275 328 A HA 0.112 4.424 4.320 -0.013 0.000 0.212 328 A C 1.550 179.252 177.584 0.196 0.000 1.201 328 A CA -0.301 51.849 52.037 0.187 0.000 0.843 328 A CB -0.728 18.389 19.000 0.195 0.000 0.873 328 A HN 0.220 nan 8.150 nan 0.000 0.492 329 F N 1.960 121.875 119.950 -0.057 0.000 2.065 329 F HA -0.156 4.363 4.527 -0.013 0.000 0.298 329 F C -0.765 174.926 175.800 -0.181 0.000 1.112 329 F CA 2.636 60.392 58.000 -0.406 0.000 1.212 329 F CB -0.583 38.181 39.000 -0.392 0.000 0.975 329 F HN 0.201 nan 8.300 nan 0.000 0.476 330 P HA -0.103 nan 4.420 nan 0.000 0.225 330 P C 0.725 177.981 177.300 -0.073 0.000 1.148 330 P CA 1.482 64.549 63.100 -0.056 0.000 0.779 330 P CB -0.083 31.614 31.700 -0.004 0.000 0.780 331 D N -0.800 119.579 120.400 -0.034 0.000 2.277 331 D HA -0.038 4.594 4.640 -0.013 0.000 0.208 331 D C 1.505 177.791 176.300 -0.023 0.000 0.962 331 D CA 0.941 54.934 54.000 -0.012 0.000 0.865 331 D CB 0.098 40.912 40.800 0.024 0.000 0.939 331 D HN 0.161 nan 8.370 nan 0.000 0.510 332 K N 0.008 120.373 120.400 -0.059 0.000 2.402 332 K HA 0.208 4.520 4.320 -0.013 0.000 0.203 332 K C -0.111 176.408 176.600 -0.136 0.000 1.077 332 K CA 0.080 56.345 56.287 -0.036 0.000 1.051 332 K CB 2.404 34.989 32.500 0.142 0.000 0.907 332 K HN -0.066 nan 8.250 nan 0.000 0.554 333 V N 1.111 120.852 119.914 -0.288 0.000 2.623 333 V HA 0.584 4.696 4.120 -0.013 0.000 0.304 333 V C -1.049 174.949 176.094 -0.161 0.000 1.054 333 V CA -1.261 60.861 62.300 -0.297 0.000 0.882 333 V CB 1.776 33.108 31.823 -0.819 0.000 1.002 333 V HN 0.112 nan 8.190 nan 0.000 0.424 334 A N 5.833 128.615 122.820 -0.063 0.000 2.343 334 A HA 0.927 5.239 4.320 -0.013 0.000 0.316 334 A C -0.911 176.701 177.584 0.046 0.000 1.104 334 A CA -0.487 51.548 52.037 -0.003 0.000 0.768 334 A CB 0.928 19.885 19.000 -0.072 0.000 1.213 334 A HN 0.778 nan 8.150 nan 0.000 0.456 335 I N 1.850 122.489 120.570 0.115 0.000 2.355 335 I HA 0.298 4.460 4.170 -0.013 0.000 0.288 335 I C -0.267 175.943 176.117 0.155 0.000 0.999 335 I CA -0.536 60.843 61.300 0.132 0.000 1.163 335 I CB 1.900 39.956 38.000 0.093 0.000 1.316 335 I HN 0.684 nan 8.210 nan 0.000 0.454 336 Q N 6.738 126.630 119.800 0.154 0.000 2.314 336 Q HA 0.504 4.837 4.340 -0.013 0.000 0.259 336 Q C -1.300 174.700 176.000 0.000 0.000 0.951 336 Q CA -0.262 55.653 55.803 0.187 0.000 0.909 336 Q CB 1.298 30.258 28.738 0.369 0.000 1.236 336 Q HN 0.567 nan 8.270 nan 0.000 0.444 337 L N 3.769 125.028 121.223 0.061 0.000 2.261 337 L HA 0.387 4.719 4.340 -0.013 0.000 0.289 337 L C 0.089 176.981 176.870 0.036 0.000 1.059 337 L CA -0.716 54.150 54.840 0.045 0.000 0.816 337 L CB 0.640 42.774 42.059 0.125 0.000 1.191 337 L HN 0.559 nan 8.230 nan 0.000 0.431 338 N N 3.504 122.148 118.700 -0.094 0.000 2.508 338 N HA 0.079 4.811 4.740 -0.013 0.000 0.253 338 N C -0.136 175.376 175.510 0.004 0.000 1.145 338 N CA 0.432 53.467 53.050 -0.026 0.000 0.973 338 N CB -0.145 38.236 38.487 -0.177 0.000 1.305 338 N HN 0.692 nan 8.380 nan 0.000 0.506 339 D N -0.546 119.964 120.400 0.183 0.000 3.841 339 D HA -0.262 4.370 4.640 -0.013 0.000 0.276 339 D C 0.448 176.828 176.300 0.134 0.000 2.088 339 D CA 2.118 56.201 54.000 0.139 0.000 1.152 339 D CB -0.352 40.304 40.800 -0.241 0.000 0.944 339 D HN 0.506 nan 8.370 nan 0.000 1.144 340 T N -3.241 111.321 114.554 0.015 0.000 3.129 340 T HA 0.096 4.438 4.350 -0.013 0.000 0.251 340 T C 1.424 176.188 174.700 0.107 0.000 1.117 340 T CA 1.408 63.517 62.100 0.014 0.000 1.034 340 T CB -0.490 68.365 68.868 -0.023 0.000 0.968 340 T HN 0.516 nan 8.240 nan 0.000 0.526 341 H N 2.636 121.797 119.070 0.152 0.000 2.352 341 H HA 0.001 4.549 4.556 -0.013 0.000 0.299 341 H C -0.907 174.512 175.328 0.152 0.000 1.097 341 H CA 0.965 57.117 56.048 0.173 0.000 1.311 341 H CB -0.935 28.928 29.762 0.169 0.000 1.377 341 H HN 0.436 nan 8.280 nan 0.000 0.504 342 P HA 0.087 nan 4.420 nan 0.000 0.254 342 P C 0.644 177.988 177.300 0.073 0.000 1.620 342 P CA 0.294 63.474 63.100 0.132 0.000 1.050 342 P CB 0.323 32.089 31.700 0.111 0.000 1.539 343 S N -0.326 115.412 115.700 0.063 0.000 2.442 343 S HA -0.121 4.341 4.470 -0.013 0.000 0.236 343 S C 1.737 176.339 174.600 0.003 0.000 1.007 343 S CA 0.753 58.951 58.200 -0.004 0.000 0.965 343 S CB -1.443 61.731 63.200 -0.042 0.000 0.773 343 S HN 0.156 nan 8.310 nan 0.000 0.504 344 L N 1.044 122.283 121.223 0.027 0.000 2.450 344 L HA 0.005 4.337 4.340 -0.013 0.000 0.224 344 L C 2.926 179.828 176.870 0.053 0.000 1.149 344 L CA 0.613 55.470 54.840 0.029 0.000 0.816 344 L CB -0.784 41.292 42.059 0.028 0.000 0.932 344 L HN 0.470 nan 8.230 nan 0.000 0.449 345 A N 0.634 123.467 122.820 0.022 0.000 1.940 345 A HA -0.214 4.099 4.320 -0.013 0.000 0.219 345 A C 2.173 179.755 177.584 -0.003 0.000 1.176 345 A CA 1.600 53.636 52.037 -0.001 0.000 0.631 345 A CB -0.474 18.518 19.000 -0.013 0.000 0.814 345 A HN 0.376 nan 8.150 nan 0.000 0.446 346 I N 0.246 120.815 120.570 -0.001 0.000 2.090 346 I HA -0.144 4.018 4.170 -0.013 0.000 0.236 346 I C -0.335 175.800 176.117 0.030 0.000 1.064 346 I CA 1.588 62.885 61.300 -0.004 0.000 1.324 346 I CB -1.021 36.978 38.000 -0.002 0.000 1.044 346 I HN 0.244 nan 8.210 nan 0.000 0.399 347 P HA -0.169 nan 4.420 nan 0.000 0.221 347 P C 1.270 178.607 177.300 0.062 0.000 1.150 347 P CA 1.476 64.618 63.100 0.070 0.000 0.800 347 P CB 0.031 31.793 31.700 0.103 0.000 0.787 348 E N 0.316 120.613 120.200 0.161 0.000 2.072 348 E HA -0.158 4.184 4.350 -0.013 0.000 0.191 348 E C 1.930 178.522 176.600 -0.013 0.000 0.985 348 E CA 0.719 57.225 56.400 0.176 0.000 0.801 348 E CB -1.226 28.614 29.700 0.234 0.000 0.750 348 E HN 0.000 nan 8.360 nan 0.000 0.452 349 L N -0.031 121.153 121.223 -0.065 0.000 2.046 349 L HA -0.116 4.216 4.340 -0.013 0.000 0.208 349 L C 2.108 178.845 176.870 -0.223 0.000 1.077 349 L CA 1.773 56.517 54.840 -0.160 0.000 0.747 349 L CB -0.565 41.401 42.059 -0.154 0.000 0.896 349 L HN 0.241 nan 8.230 nan 0.000 0.432 350 M N -0.838 118.646 119.600 -0.193 0.000 2.117 350 M HA -0.222 4.251 4.480 -0.013 0.000 0.262 350 M C 2.433 178.581 176.300 -0.252 0.000 1.065 350 M CA 1.567 56.704 55.300 -0.272 0.000 1.114 350 M CB -1.239 31.187 32.600 -0.290 0.000 1.361 350 M HN 0.331 nan 8.290 nan 0.000 0.408 351 R N 0.071 120.448 120.500 -0.205 0.000 2.080 351 R HA -0.140 4.192 4.340 -0.013 0.000 0.236 351 R C 2.066 178.267 176.300 -0.165 0.000 1.137 351 R CA 1.775 57.753 56.100 -0.202 0.000 0.943 351 R CB -0.201 29.925 30.300 -0.289 0.000 0.846 351 R HN 0.220 nan 8.270 nan 0.000 0.431 352 V N 1.410 121.224 119.914 -0.167 0.000 2.295 352 V HA -0.248 3.864 4.120 -0.013 0.000 0.246 352 V C 2.403 178.338 176.094 -0.264 0.000 1.049 352 V CA 1.693 63.887 62.300 -0.178 0.000 1.024 352 V CB -0.412 31.305 31.823 -0.177 0.000 0.648 352 V HN 0.347 nan 8.190 nan 0.000 0.447 353 L N -0.632 120.376 121.223 -0.358 0.000 2.093 353 L HA -0.111 4.221 4.340 -0.013 0.000 0.208 353 L C 2.375 179.069 176.870 -0.294 0.000 1.085 353 L CA 1.048 55.613 54.840 -0.458 0.000 0.755 353 L CB -0.545 41.198 42.059 -0.527 0.000 0.904 353 L HN 0.213 nan 8.230 nan 0.000 0.435 354 V N -0.646 119.140 119.914 -0.214 0.000 2.331 354 V HA -0.162 3.950 4.120 -0.013 0.000 0.242 354 V C 1.920 177.975 176.094 -0.065 0.000 1.034 354 V CA 1.596 63.832 62.300 -0.107 0.000 1.027 354 V CB -0.316 31.480 31.823 -0.046 0.000 0.667 354 V HN 0.333 nan 8.190 nan 0.000 0.457 355 D N -0.080 120.276 120.400 -0.073 0.000 2.162 355 D HA 0.007 4.639 4.640 -0.013 0.000 0.203 355 D C 2.009 178.282 176.300 -0.045 0.000 0.967 355 D CA 1.124 55.097 54.000 -0.045 0.000 0.840 355 D CB 0.133 40.904 40.800 -0.047 0.000 0.972 355 D HN 0.325 nan 8.370 nan 0.000 0.482 356 L N 0.147 121.328 121.223 -0.071 0.000 2.362 356 L HA 0.121 4.453 4.340 -0.013 0.000 0.204 356 L C 1.840 178.678 176.870 -0.054 0.000 1.060 356 L CA 0.454 55.261 54.840 -0.054 0.000 0.827 356 L CB 0.123 42.150 42.059 -0.054 0.000 1.027 356 L HN -0.200 nan 8.230 nan 0.000 0.474 357 E N 0.447 120.581 120.200 -0.111 0.000 2.478 357 E HA 0.037 4.380 4.350 -0.013 0.000 0.194 357 E C 0.031 176.592 176.600 -0.064 0.000 1.045 357 E CA -0.027 56.314 56.400 -0.099 0.000 0.868 357 E CB 0.363 29.891 29.700 -0.287 0.000 0.885 357 E HN 0.199 nan 8.360 nan 0.000 0.505 358 R N -0.217 120.244 120.500 -0.066 0.000 3.656 358 R HA -0.184 4.149 4.340 -0.013 0.000 0.297 358 R C -0.396 175.889 176.300 -0.024 0.000 1.166 358 R CA 0.243 56.327 56.100 -0.026 0.000 0.799 358 R CB -2.854 27.448 30.300 0.003 0.000 1.285 358 R HN 0.076 nan 8.270 nan 0.000 0.477 359 L N 2.204 123.384 121.223 -0.071 0.000 2.395 359 L HA 0.162 4.494 4.340 -0.013 0.000 0.269 359 L C 1.441 178.306 176.870 -0.009 0.000 1.133 359 L CA 0.169 54.977 54.840 -0.054 0.000 0.812 359 L CB 0.461 42.439 42.059 -0.134 0.000 1.125 359 L HN 0.141 nan 8.230 nan 0.000 0.452 360 D N 1.216 121.635 120.400 0.031 0.000 2.382 360 D HA -0.146 4.486 4.640 -0.013 0.000 0.240 360 D C 0.930 177.302 176.300 0.119 0.000 1.146 360 D CA -0.493 53.560 54.000 0.089 0.000 0.897 360 D CB 0.751 41.607 40.800 0.094 0.000 1.197 360 D HN 0.625 nan 8.370 nan 0.000 0.432 361 W N 2.186 123.491 121.300 0.009 0.000 2.317 361 W HA -0.237 4.416 4.660 -0.013 0.000 0.318 361 W C 1.068 177.634 176.519 0.079 0.000 1.227 361 W CA 1.929 59.287 57.345 0.022 0.000 1.269 361 W CB -0.283 29.170 29.460 -0.010 0.000 1.155 361 W HN 0.465 nan 8.180 nan 0.000 0.484 362 D N 0.305 120.903 120.400 0.330 0.000 2.149 362 D HA -0.203 4.430 4.640 -0.013 0.000 0.198 362 D C 1.879 178.278 176.300 0.166 0.000 0.990 362 D CA 1.948 56.115 54.000 0.277 0.000 0.839 362 D CB -0.402 40.535 40.800 0.229 0.000 0.948 362 D HN 0.096 nan 8.370 nan 0.000 0.460 363 K N 1.225 121.681 120.400 0.094 0.000 2.025 363 K HA 0.017 4.329 4.320 -0.013 0.000 0.207 363 K C 1.860 178.447 176.600 -0.021 0.000 1.049 363 K CA 1.452 57.766 56.287 0.045 0.000 0.933 363 K CB -0.569 31.954 32.500 0.038 0.000 0.714 363 K HN -0.011 nan 8.250 nan 0.000 0.438 364 A N 0.696 123.460 122.820 -0.093 0.000 1.908 364 A HA -0.196 4.116 4.320 -0.013 0.000 0.218 364 A C 2.256 179.735 177.584 -0.175 0.000 1.181 364 A CA 1.564 53.477 52.037 -0.207 0.000 0.627 364 A CB -1.234 17.579 19.000 -0.312 0.000 0.818 364 A HN 0.707 nan 8.150 nan 0.000 0.445 365 W N 0.634 121.715 121.300 -0.366 0.000 2.358 365 W HA -0.171 4.481 4.660 -0.013 0.000 0.303 365 W C 1.984 178.440 176.519 -0.106 0.000 1.208 365 W CA 1.815 58.994 57.345 -0.277 0.000 1.274 365 W CB -0.139 29.184 29.460 -0.228 0.000 1.138 365 W HN 0.627 nan 8.180 nan 0.000 0.515 366 E N 0.153 120.335 120.200 -0.030 0.000 2.058 366 E HA -0.233 4.109 4.350 -0.013 0.000 0.194 366 E C 2.044 178.565 176.600 -0.132 0.000 0.997 366 E CA 2.048 58.401 56.400 -0.078 0.000 0.801 366 E CB -0.352 29.362 29.700 0.024 0.000 0.746 366 E HN 0.049 nan 8.360 nan 0.000 0.450 367 V N 0.717 120.568 119.914 -0.105 0.000 2.295 367 V HA -0.262 3.850 4.120 -0.013 0.000 0.246 367 V C 2.399 178.429 176.094 -0.108 0.000 1.049 367 V CA 2.199 64.459 62.300 -0.068 0.000 1.024 367 V CB -0.773 31.007 31.823 -0.072 0.000 0.648 367 V HN 0.402 nan 8.190 nan 0.000 0.447 368 T N 0.044 114.458 114.554 -0.233 0.000 2.652 368 T HA -0.183 4.160 4.350 -0.013 0.000 0.267 368 T C 1.951 176.467 174.700 -0.308 0.000 1.039 368 T CA 1.789 63.723 62.100 -0.277 0.000 1.153 368 T CB -0.310 68.334 68.868 -0.374 0.000 0.863 368 T HN 0.275 nan 8.240 nan 0.000 0.428 369 V N 1.448 121.061 119.914 -0.503 0.000 2.332 369 V HA -0.185 3.927 4.120 -0.013 0.000 0.248 369 V C 2.359 178.411 176.094 -0.069 0.000 1.055 369 V CA 1.666 63.735 62.300 -0.385 0.000 1.038 369 V CB -0.500 31.021 31.823 -0.503 0.000 0.651 369 V HN 0.472 nan 8.190 nan 0.000 0.450 370 K N -0.526 119.820 120.400 -0.090 0.000 2.288 370 K HA -0.075 4.237 4.320 -0.013 0.000 0.201 370 K C 2.083 178.668 176.600 -0.025 0.000 1.048 370 K CA 1.482 57.707 56.287 -0.104 0.000 0.956 370 K CB -0.187 32.244 32.500 -0.114 0.000 0.746 370 K HN 0.480 nan 8.250 nan 0.000 0.461 371 T N 0.196 114.786 114.554 0.058 0.000 2.939 371 T HA 0.017 4.359 4.350 -0.013 0.000 0.254 371 T C 0.926 175.733 174.700 0.179 0.000 1.041 371 T CA 0.409 62.574 62.100 0.108 0.000 1.142 371 T CB 0.095 69.055 68.868 0.153 0.000 0.874 371 T HN 0.159 nan 8.240 nan 0.000 0.452 372 C N 2.407 121.793 119.300 0.145 0.000 2.401 372 C HA 0.875 5.327 4.460 -0.013 0.000 0.365 372 C C 0.600 175.631 174.990 0.067 0.000 1.250 372 C CA -1.209 57.867 59.018 0.097 0.000 2.131 372 C CB 0.018 27.755 27.740 -0.004 0.000 2.445 372 C HN 0.600 nan 8.230 nan 0.000 0.550 373 A N 2.299 125.154 122.820 0.059 0.000 2.475 373 A HA 0.772 5.084 4.320 -0.013 0.000 0.301 373 A C -1.561 176.084 177.584 0.102 0.000 1.059 373 A CA -0.429 51.588 52.037 -0.034 0.000 0.710 373 A CB 1.061 20.030 19.000 -0.051 0.000 1.288 373 A HN 0.938 nan 8.150 nan 0.000 0.408 374 Y N 1.081 121.321 120.300 -0.101 0.000 2.350 374 Y HA 0.621 5.163 4.550 -0.013 0.000 0.338 374 Y C -0.558 175.314 175.900 -0.047 0.000 0.961 374 Y CA -0.323 57.731 58.100 -0.077 0.000 1.100 374 Y CB 2.026 40.395 38.460 -0.151 0.000 1.179 374 Y HN 0.570 nan 8.280 nan 0.000 0.454 375 T N 6.533 120.877 114.554 -0.350 0.000 2.758 375 T HA 0.180 4.522 4.350 -0.013 0.000 0.285 375 T C -0.736 173.511 174.700 -0.754 0.000 0.981 375 T CA -0.792 61.033 62.100 -0.459 0.000 0.965 375 T CB 0.418 69.243 68.868 -0.072 0.000 0.927 375 T HN 0.647 nan 8.240 nan 0.000 0.448 376 N N 1.913 120.148 118.700 -0.776 0.000 2.479 376 N HA 0.119 4.851 4.740 -0.013 0.000 0.285 376 N C 0.078 175.485 175.510 -0.171 0.000 1.075 376 N CA -0.295 52.548 53.050 -0.345 0.000 0.967 376 N CB 0.739 39.190 38.487 -0.059 0.000 1.137 376 N HN 0.673 nan 8.380 nan 0.000 0.472 377 H N 1.121 120.218 119.070 0.045 0.000 2.893 377 H HA 0.161 4.709 4.556 -0.013 0.000 0.270 377 H C -0.205 175.046 175.328 -0.128 0.000 1.095 377 H CA 0.008 56.033 56.048 -0.037 0.000 1.186 377 H CB 1.184 30.932 29.762 -0.024 0.000 1.562 377 H HN 0.510 nan 8.280 nan 0.000 0.536 378 T N 0.320 114.915 114.554 0.069 0.000 2.886 378 T HA 0.226 4.568 4.350 -0.013 0.000 0.330 378 T C 0.358 175.105 174.700 0.078 0.000 1.488 378 T CA -0.409 61.689 62.100 -0.004 0.000 1.054 378 T CB 1.374 70.234 68.868 -0.013 0.000 1.348 378 T HN -0.025 nan 8.240 nan 0.000 0.489 379 V N 1.909 121.831 119.914 0.013 0.000 3.528 379 V HA 0.562 4.674 4.120 -0.013 0.000 0.294 379 V C 0.549 176.614 176.094 -0.048 0.000 1.404 379 V CA -0.023 62.266 62.300 -0.018 0.000 1.065 379 V CB -0.403 31.409 31.823 -0.017 0.000 0.904 379 V HN 0.691 nan 8.190 nan 0.000 0.435 380 L N 3.092 124.276 121.223 -0.065 0.000 2.477 380 L HA 0.228 4.560 4.340 -0.013 0.000 0.272 380 L C -0.604 176.271 176.870 0.009 0.000 1.157 380 L CA -1.051 53.771 54.840 -0.030 0.000 0.889 380 L CB 0.615 42.631 42.059 -0.072 0.000 1.158 380 L HN 0.117 nan 8.230 nan 0.000 0.473 381 P HA -0.230 nan 4.420 nan 0.000 0.216 381 P C 0.958 178.266 177.300 0.013 0.000 1.150 381 P CA 1.307 64.412 63.100 0.008 0.000 0.843 381 P CB 0.043 31.752 31.700 0.015 0.000 0.787 382 E N 0.022 120.261 120.200 0.065 0.000 2.482 382 E HA -0.000 4.342 4.350 -0.013 0.000 0.196 382 E C 1.507 178.108 176.600 0.000 0.000 1.047 382 E CA 0.847 57.281 56.400 0.057 0.000 0.869 382 E CB -0.597 29.231 29.700 0.213 0.000 0.836 382 E HN 0.189 nan 8.360 nan 0.000 0.520 383 A N 1.122 123.969 122.820 0.045 0.000 2.220 383 A HA 0.249 4.561 4.320 -0.013 0.000 0.211 383 A C 1.251 178.838 177.584 0.006 0.000 1.176 383 A CA -0.302 51.774 52.037 0.065 0.000 0.834 383 A CB -0.035 19.023 19.000 0.097 0.000 0.868 383 A HN 0.156 nan 8.150 nan 0.000 0.488 384 L N 1.490 122.669 121.223 -0.075 0.000 2.367 384 L HA 0.180 4.513 4.340 -0.013 0.000 0.275 384 L C -0.126 176.433 176.870 -0.517 0.000 1.129 384 L CA -0.270 54.467 54.840 -0.173 0.000 0.839 384 L CB 0.701 42.691 42.059 -0.116 0.000 1.133 384 L HN 0.297 nan 8.230 nan 0.000 0.453 385 E N 4.115 123.913 120.200 -0.670 0.000 2.217 385 E HA 0.223 4.566 4.350 -0.013 0.000 0.279 385 E C -0.600 175.376 176.600 -1.040 0.000 1.068 385 E CA -0.153 55.391 56.400 -1.428 0.000 0.882 385 E CB 0.720 29.931 29.700 -0.815 0.000 1.039 385 E HN 0.395 nan 8.360 nan 0.000 0.418 386 R N 3.631 123.380 120.500 -1.253 0.000 2.487 386 R HA 0.192 4.525 4.340 -0.013 0.000 0.288 386 R C -1.283 174.830 176.300 -0.312 0.000 1.394 386 R CA -0.530 55.261 56.100 -0.515 0.000 1.155 386 R CB 0.796 30.924 30.300 -0.287 0.000 1.156 386 R HN 0.458 nan 8.270 nan 0.000 0.553 387 W N 4.484 125.729 121.300 -0.092 0.000 2.311 387 W HA 0.270 4.922 4.660 -0.013 0.000 0.310 387 W C -1.872 174.627 176.519 -0.033 0.000 1.274 387 W CA -2.126 55.232 57.345 0.022 0.000 1.215 387 W CB 0.724 30.176 29.460 -0.013 0.000 1.227 387 W HN 0.253 nan 8.180 nan 0.000 0.523 388 P HA -0.103 nan 4.420 nan 0.000 0.262 388 P C 0.799 178.056 177.300 -0.072 0.000 1.182 388 P CA 0.260 63.354 63.100 -0.009 0.000 0.761 388 P CB 0.709 32.250 31.700 -0.264 0.000 0.795 389 V N 3.305 123.225 119.914 0.010 0.000 2.392 389 V HA -0.289 3.823 4.120 -0.013 0.000 0.249 389 V C 2.176 178.282 176.094 0.020 0.000 1.059 389 V CA 2.563 64.884 62.300 0.035 0.000 1.051 389 V CB -1.704 30.198 31.823 0.131 0.000 0.658 389 V HN 0.765 nan 8.190 nan 0.000 0.455 390 H N -0.775 118.354 119.070 0.099 0.000 2.421 390 H HA -0.113 4.435 4.556 -0.013 0.000 0.298 390 H C 1.999 177.377 175.328 0.083 0.000 1.087 390 H CA 1.779 57.880 56.048 0.089 0.000 1.330 390 H CB -0.660 29.155 29.762 0.089 0.000 1.388 390 H HN 0.358 nan 8.280 nan 0.000 0.526 391 L N -0.093 120.955 121.223 -0.291 0.000 2.027 391 L HA -0.093 4.239 4.340 -0.013 0.000 0.206 391 L C 2.450 179.270 176.870 -0.082 0.000 1.074 391 L CA 1.037 55.816 54.840 -0.103 0.000 0.745 391 L CB -0.276 41.711 42.059 -0.119 0.000 0.898 391 L HN 0.317 nan 8.230 nan 0.000 0.433 392 L N -0.635 120.517 121.223 -0.119 0.000 2.141 392 L HA -0.204 4.128 4.340 -0.013 0.000 0.209 392 L C 2.485 179.292 176.870 -0.105 0.000 1.094 392 L CA 0.958 55.703 54.840 -0.159 0.000 0.763 392 L CB -0.368 41.584 42.059 -0.178 0.000 0.908 392 L HN 0.302 nan 8.230 nan 0.000 0.437 393 E N -0.287 119.894 120.200 -0.031 0.000 2.085 393 E HA -0.220 4.123 4.350 -0.013 0.000 0.194 393 E C 1.915 178.551 176.600 0.060 0.000 0.994 393 E CA 2.004 58.417 56.400 0.022 0.000 0.801 393 E CB 0.142 29.895 29.700 0.088 0.000 0.743 393 E HN 0.401 nan 8.360 nan 0.000 0.453 394 T N 0.575 115.188 114.554 0.099 0.000 2.809 394 T HA -0.072 4.270 4.350 -0.013 0.000 0.260 394 T C 1.718 176.532 174.700 0.191 0.000 1.039 394 T CA 0.780 62.992 62.100 0.187 0.000 1.141 394 T CB -0.133 68.879 68.868 0.240 0.000 0.869 394 T HN 0.073 nan 8.240 nan 0.000 0.437 395 L N -0.009 121.223 121.223 0.015 0.000 2.127 395 L HA 0.352 4.684 4.340 -0.013 0.000 0.203 395 L C 0.388 177.197 176.870 -0.102 0.000 1.080 395 L CA 1.572 56.300 54.840 -0.186 0.000 0.768 395 L CB 0.044 41.953 42.059 -0.249 0.000 0.924 395 L HN 0.169 nan 8.230 nan 0.000 0.444 396 L N 0.682 121.804 121.223 -0.168 0.000 2.551 396 L HA 0.293 4.625 4.340 -0.013 0.000 0.248 396 L C -1.720 174.962 176.870 -0.313 0.000 1.509 396 L CA -0.958 53.690 54.840 -0.319 0.000 0.842 396 L CB 0.920 42.649 42.059 -0.551 0.000 1.087 396 L HN -0.055 nan 8.230 nan 0.000 0.512 397 P HA -0.187 nan 4.420 nan 0.000 0.216 397 P C 1.458 178.555 177.300 -0.337 0.000 1.150 397 P CA 1.097 64.067 63.100 -0.216 0.000 0.837 397 P CB 0.386 32.034 31.700 -0.086 0.000 0.786 398 R N -0.169 119.945 120.500 -0.644 0.000 2.090 398 R HA -0.125 4.207 4.340 -0.013 0.000 0.228 398 R C 2.279 178.266 176.300 -0.522 0.000 1.110 398 R CA 1.618 57.347 56.100 -0.618 0.000 0.973 398 R CB -1.629 28.140 30.300 -0.885 0.000 0.869 398 R HN 0.249 nan 8.270 nan 0.000 0.440 399 H N -0.344 118.412 119.070 -0.523 0.000 2.387 399 H HA -0.038 4.511 4.556 -0.013 0.000 0.299 399 H C 1.812 176.962 175.328 -0.297 0.000 1.090 399 H CA 1.604 57.431 56.048 -0.368 0.000 1.332 399 H CB -0.127 29.385 29.762 -0.418 0.000 1.386 399 H HN 0.073 nan 8.280 nan 0.000 0.516 400 L N 0.563 121.652 121.223 -0.224 0.000 2.012 400 L HA -0.266 4.066 4.340 -0.013 0.000 0.210 400 L C 1.954 178.594 176.870 -0.383 0.000 1.073 400 L CA 1.661 56.289 54.840 -0.353 0.000 0.748 400 L CB -0.328 41.535 42.059 -0.325 0.000 0.891 400 L HN 0.451 nan 8.230 nan 0.000 0.431 401 Q N -0.300 119.393 119.800 -0.177 0.000 2.061 401 Q HA -0.254 4.078 4.340 -0.013 0.000 0.204 401 Q C 2.165 178.171 176.000 0.009 0.000 0.984 401 Q CA 1.813 57.609 55.803 -0.012 0.000 0.846 401 Q CB -0.157 28.584 28.738 0.006 0.000 0.902 401 Q HN 0.556 nan 8.270 nan 0.000 0.421 402 I N 0.383 120.941 120.570 -0.020 0.000 2.226 402 I HA -0.283 3.880 4.170 -0.013 0.000 0.245 402 I C 2.166 178.355 176.117 0.119 0.000 1.100 402 I CA 1.057 62.430 61.300 0.121 0.000 1.374 402 I CB -0.174 37.862 38.000 0.061 0.000 1.057 402 I HN 0.193 nan 8.210 nan 0.000 0.413 403 I N -0.481 120.079 120.570 -0.017 0.000 2.226 403 I HA -0.325 3.837 4.170 -0.013 0.000 0.245 403 I C 2.398 178.536 176.117 0.035 0.000 1.100 403 I CA 1.437 62.719 61.300 -0.029 0.000 1.374 403 I CB -0.406 37.511 38.000 -0.139 0.000 1.057 403 I HN 0.161 nan 8.210 nan 0.000 0.413 404 Y N 0.811 121.116 120.300 0.009 0.000 2.181 404 Y HA -0.276 4.266 4.550 -0.013 0.000 0.288 404 Y C 2.612 178.480 175.900 -0.054 0.000 1.146 404 Y CA 1.547 59.638 58.100 -0.014 0.000 1.164 404 Y CB -0.833 37.611 38.460 -0.027 0.000 0.982 404 Y HN 0.200 nan 8.280 nan 0.000 0.515 405 E N 0.378 120.617 120.200 0.066 0.000 2.072 405 E HA -0.140 4.202 4.350 -0.013 0.000 0.191 405 E C 2.069 178.589 176.600 -0.133 0.000 0.985 405 E CA 1.245 57.544 56.400 -0.169 0.000 0.801 405 E CB -0.537 28.882 29.700 -0.468 0.000 0.750 405 E HN 0.474 nan 8.360 nan 0.000 0.452 406 I N 0.675 121.269 120.570 0.041 0.000 2.163 406 I HA -0.291 3.871 4.170 -0.013 0.000 0.243 406 I C 2.278 178.405 176.117 0.016 0.000 1.085 406 I CA 1.400 62.685 61.300 -0.026 0.000 1.347 406 I CB -0.424 37.568 38.000 -0.012 0.000 1.044 406 I HN 0.206 nan 8.210 nan 0.000 0.408 407 N N 0.702 119.456 118.700 0.090 0.000 2.120 407 N HA -0.266 4.466 4.740 -0.013 0.000 0.188 407 N C 1.874 177.467 175.510 0.138 0.000 1.024 407 N CA 1.533 54.681 53.050 0.163 0.000 0.852 407 N CB -0.158 38.443 38.487 0.189 0.000 1.003 407 N HN 0.330 nan 8.380 nan 0.000 0.424 408 Q N 0.025 119.854 119.800 0.048 0.000 2.050 408 Q HA -0.128 4.204 4.340 -0.013 0.000 0.202 408 Q C 2.017 178.003 176.000 -0.022 0.000 0.980 408 Q CA 1.352 57.149 55.803 -0.010 0.000 0.840 408 Q CB -0.004 28.689 28.738 -0.075 0.000 0.898 408 Q HN 0.374 nan 8.270 nan 0.000 0.424 409 R N -0.679 119.787 120.500 -0.056 0.000 2.092 409 R HA -0.124 4.208 4.340 -0.013 0.000 0.231 409 R C 2.167 178.493 176.300 0.043 0.000 1.119 409 R CA 1.379 57.444 56.100 -0.058 0.000 0.970 409 R CB -0.361 29.855 30.300 -0.140 0.000 0.864 409 R HN 0.268 nan 8.270 nan 0.000 0.440 410 F N 1.374 121.298 119.950 -0.043 0.000 2.102 410 F HA -0.114 4.405 4.527 -0.013 0.000 0.298 410 F C 1.824 177.645 175.800 0.035 0.000 1.105 410 F CA 1.389 59.409 58.000 0.034 0.000 1.239 410 F CB -0.175 38.875 39.000 0.085 0.000 0.991 410 F HN -0.107 nan 8.300 nan 0.000 0.474 411 L N -0.058 121.186 121.223 0.035 0.000 2.201 411 L HA -0.227 4.106 4.340 -0.013 0.000 0.212 411 L C 1.989 178.800 176.870 -0.098 0.000 1.105 411 L CA 1.474 56.274 54.840 -0.067 0.000 0.775 411 L CB -0.881 41.197 42.059 0.031 0.000 0.913 411 L HN 0.252 nan 8.230 nan 0.000 0.440 412 N N -0.164 118.495 118.700 -0.069 0.000 2.166 412 N HA -0.174 4.559 4.740 -0.013 0.000 0.186 412 N C 1.925 177.384 175.510 -0.086 0.000 1.019 412 N CA 0.814 53.824 53.050 -0.067 0.000 0.856 412 N CB -0.003 38.451 38.487 -0.054 0.000 0.993 412 N HN 0.280 nan 8.380 nan 0.000 0.426 413 R N 0.523 120.950 120.500 -0.121 0.000 2.075 413 R HA -0.048 4.284 4.340 -0.013 0.000 0.232 413 R C 2.188 178.391 176.300 -0.162 0.000 1.126 413 R CA 0.876 56.896 56.100 -0.132 0.000 0.963 413 R CB -0.266 29.951 30.300 -0.138 0.000 0.858 413 R HN 0.077 nan 8.270 nan 0.000 0.435 414 V N 0.813 120.579 119.914 -0.246 0.000 2.343 414 V HA -0.227 3.885 4.120 -0.013 0.000 0.247 414 V C 2.382 178.481 176.094 0.008 0.000 1.051 414 V CA 1.965 64.187 62.300 -0.131 0.000 1.036 414 V CB -0.692 30.980 31.823 -0.251 0.000 0.654 414 V HN 0.409 nan 8.190 nan 0.000 0.451 415 A N -0.064 122.730 122.820 -0.043 0.000 1.972 415 A HA -0.056 4.257 4.320 -0.013 0.000 0.219 415 A C 2.374 179.942 177.584 -0.026 0.000 1.169 415 A CA 1.931 53.959 52.037 -0.016 0.000 0.635 415 A CB -0.612 18.369 19.000 -0.032 0.000 0.810 415 A HN 0.565 nan 8.150 nan 0.000 0.446 416 A N -0.455 122.331 122.820 -0.056 0.000 1.929 416 A HA 0.299 4.611 4.320 -0.013 0.000 0.216 416 A C 2.385 179.893 177.584 -0.127 0.000 1.176 416 A CA 1.686 53.678 52.037 -0.075 0.000 0.628 416 A CB -0.684 18.274 19.000 -0.070 0.000 0.816 416 A HN 0.934 nan 8.150 nan 0.000 0.444 417 A N -1.605 121.107 122.820 -0.180 0.000 1.975 417 A HA 0.365 4.677 4.320 -0.013 0.000 0.215 417 A C 0.471 177.648 177.584 -0.679 0.000 1.170 417 A CA 0.525 52.300 52.037 -0.437 0.000 0.656 417 A CB -0.176 18.513 19.000 -0.519 0.000 0.821 417 A HN 0.419 nan 8.150 nan 0.000 0.449 418 F N 0.130 120.033 119.950 -0.078 0.000 2.531 418 F HA 0.344 4.863 4.527 -0.013 0.000 0.333 418 F C -2.772 172.992 175.800 -0.060 0.000 1.292 418 F CA -2.716 55.243 58.000 -0.068 0.000 1.184 418 F CB 0.858 39.810 39.000 -0.081 0.000 1.426 418 F HN -0.059 nan 8.300 nan 0.000 0.559 419 P HA 0.212 nan 4.420 nan 0.000 0.267 419 P C 0.994 178.314 177.300 0.033 0.000 1.205 419 P CA 0.869 63.981 63.100 0.021 0.000 0.765 419 P CB 0.978 32.671 31.700 -0.011 0.000 0.828 420 G N 2.543 111.356 108.800 0.022 0.000 2.205 420 G HA2 -0.244 3.708 3.960 -0.013 0.000 0.261 420 G HA3 -0.244 3.708 3.960 -0.013 0.000 0.261 420 G C 0.334 175.243 174.900 0.016 0.000 0.980 420 G CA 0.016 45.125 45.100 0.014 0.000 0.632 420 G HN 0.604 nan 8.290 nan 0.000 0.533 421 D N 1.513 121.931 120.400 0.030 0.000 2.551 421 D HA 0.368 5.000 4.640 -0.013 0.000 0.223 421 D C 2.111 178.401 176.300 -0.016 0.000 1.144 421 D CA 0.433 54.437 54.000 0.006 0.000 1.025 421 D CB 0.362 41.167 40.800 0.008 0.000 1.085 421 D HN 0.600 nan 8.370 nan 0.000 0.506 422 V N 0.774 120.680 119.914 -0.013 0.000 2.515 422 V HA -0.148 3.964 4.120 -0.013 0.000 0.250 422 V C 1.814 177.896 176.094 -0.020 0.000 1.058 422 V CA 1.531 63.822 62.300 -0.014 0.000 1.064 422 V CB -0.481 31.337 31.823 -0.008 0.000 0.675 422 V HN 0.222 nan 8.190 nan 0.000 0.461 423 D N 0.322 120.707 120.400 -0.026 0.000 2.178 423 D HA -0.155 4.477 4.640 -0.013 0.000 0.202 423 D C 2.336 178.608 176.300 -0.047 0.000 0.974 423 D CA 1.252 55.236 54.000 -0.026 0.000 0.841 423 D CB -0.205 40.581 40.800 -0.024 0.000 0.953 423 D HN 0.426 nan 8.370 nan 0.000 0.478 424 R N -0.136 120.311 120.500 -0.087 0.000 2.081 424 R HA -0.100 4.232 4.340 -0.013 0.000 0.235 424 R C 2.267 178.497 176.300 -0.117 0.000 1.131 424 R CA 0.952 56.962 56.100 -0.150 0.000 0.960 424 R CB -0.267 29.879 30.300 -0.257 0.000 0.856 424 R HN 0.258 nan 8.270 nan 0.000 0.436 425 L N 0.566 121.745 121.223 -0.073 0.000 2.042 425 L HA -0.216 4.116 4.340 -0.013 0.000 0.210 425 L C 2.660 179.535 176.870 0.007 0.000 1.076 425 L CA 1.869 56.687 54.840 -0.037 0.000 0.749 425 L CB -0.477 41.570 42.059 -0.021 0.000 0.893 425 L HN 0.290 nan 8.230 nan 0.000 0.432 426 R N 0.068 120.576 120.500 0.014 0.000 2.115 426 R HA -0.076 4.256 4.340 -0.013 0.000 0.226 426 R C 2.145 178.495 176.300 0.082 0.000 1.100 426 R CA 0.913 57.042 56.100 0.049 0.000 0.980 426 R CB -0.511 29.812 30.300 0.038 0.000 0.875 426 R HN 0.178 nan 8.270 nan 0.000 0.445 427 R N 0.118 120.650 120.500 0.053 0.000 2.090 427 R HA 0.118 4.450 4.340 -0.013 0.000 0.228 427 R C 2.007 178.395 176.300 0.148 0.000 1.110 427 R CA 1.740 57.897 56.100 0.095 0.000 0.973 427 R CB -0.184 30.133 30.300 0.029 0.000 0.869 427 R HN 0.321 nan 8.270 nan 0.000 0.440 428 M N 0.103 119.714 119.600 0.018 0.000 2.509 428 M HA 0.048 4.520 4.480 -0.013 0.000 0.250 428 M C 0.839 177.287 176.300 0.248 0.000 1.132 428 M CA 0.009 55.266 55.300 -0.073 0.000 1.080 428 M CB 0.469 32.869 32.600 -0.333 0.000 1.408 428 M HN -0.082 nan 8.290 nan 0.000 0.484 429 S N 1.137 116.996 115.700 0.264 0.000 2.558 429 S HA 0.068 4.531 4.470 -0.013 0.000 0.288 429 S C 1.180 176.025 174.600 0.409 0.000 1.318 429 S CA -0.286 58.094 58.200 0.299 0.000 1.056 429 S CB 0.570 63.890 63.200 0.200 0.000 0.853 429 S HN 0.365 nan 8.310 nan 0.000 0.505 430 L N 4.148 125.567 121.223 0.327 0.000 2.291 430 L HA 0.071 4.404 4.340 -0.013 0.000 0.214 430 L C 0.400 177.379 176.870 0.182 0.000 1.120 430 L CA 0.397 55.391 54.840 0.257 0.000 0.799 430 L CB -0.513 41.643 42.059 0.161 0.000 0.925 430 L HN 0.408 nan 8.230 nan 0.000 0.446 431 V N 0.905 120.937 119.914 0.196 0.000 2.383 431 V HA 0.158 4.270 4.120 -0.013 0.000 0.275 431 V C 0.072 176.252 176.094 0.142 0.000 1.036 431 V CA -0.560 61.843 62.300 0.173 0.000 0.889 431 V CB 1.325 33.281 31.823 0.221 0.000 0.985 431 V HN 0.180 nan 8.190 nan 0.000 0.459 432 E N 3.440 123.705 120.200 0.108 0.000 2.146 432 E HA 0.403 4.745 4.350 -0.013 0.000 0.282 432 E C -0.716 175.933 176.600 0.082 0.000 0.989 432 E CA -0.537 55.916 56.400 0.087 0.000 0.799 432 E CB 1.903 31.635 29.700 0.053 0.000 1.088 432 E HN 0.624 nan 8.360 nan 0.000 0.397 433 E N 1.026 121.270 120.200 0.074 0.000 2.319 433 E HA 0.598 4.940 4.350 -0.013 0.000 0.268 433 E C 0.124 176.758 176.600 0.056 0.000 1.050 433 E CA 0.276 56.714 56.400 0.064 0.000 0.878 433 E CB 1.482 31.214 29.700 0.053 0.000 1.066 433 E HN 0.644 nan 8.360 nan 0.000 0.406 434 G N -0.020 108.812 108.800 0.054 0.000 2.368 434 G HA2 0.296 4.248 3.960 -0.013 0.000 0.269 434 G HA3 0.296 4.248 3.960 -0.013 0.000 0.269 434 G C 0.307 175.238 174.900 0.051 0.000 1.291 434 G CA 0.000 45.129 45.100 0.048 0.000 0.903 434 G HN 0.552 nan 8.290 nan 0.000 0.483 435 A N -0.920 121.929 122.820 0.048 0.000 1.869 435 A HA 0.295 4.607 4.320 -0.013 0.000 0.218 435 A C 1.612 179.235 177.584 0.066 0.000 1.203 435 A CA 3.523 55.589 52.037 0.049 0.000 0.638 435 A CB -1.233 17.793 19.000 0.044 0.000 0.831 435 A HN 2.236 nan 8.150 nan 0.000 0.450 436 V N -2.943 117.020 119.914 0.083 0.000 2.459 436 V HA 0.521 4.634 4.120 -0.013 0.000 0.295 436 V C -0.482 175.680 176.094 0.113 0.000 1.029 436 V CA -1.403 60.969 62.300 0.120 0.000 0.874 436 V CB 1.421 33.344 31.823 0.167 0.000 0.985 436 V HN 0.305 nan 8.190 nan 0.000 0.438 437 K N 4.181 124.656 120.400 0.125 0.000 2.350 437 K HA 0.478 4.791 4.320 -0.013 0.000 0.279 437 K C -0.339 176.330 176.600 0.115 0.000 1.027 437 K CA -0.136 56.221 56.287 0.117 0.000 0.969 437 K CB 0.888 33.467 32.500 0.133 0.000 0.954 437 K HN 0.736 nan 8.250 nan 0.000 0.474 438 R N 1.649 122.206 120.500 0.094 0.000 2.837 438 R HA 0.473 4.805 4.340 -0.013 0.000 0.271 438 R C -0.576 175.764 176.300 0.068 0.000 0.993 438 R CA -1.037 55.108 56.100 0.075 0.000 0.931 438 R CB 1.317 31.641 30.300 0.040 0.000 1.206 438 R HN 0.373 nan 8.270 nan 0.000 0.474 439 I N 1.948 122.555 120.570 0.061 0.000 2.321 439 I HA 0.150 4.312 4.170 -0.013 0.000 0.291 439 I C -0.069 176.035 176.117 -0.021 0.000 0.998 439 I CA -0.718 60.606 61.300 0.040 0.000 1.227 439 I CB 1.008 39.031 38.000 0.038 0.000 1.368 439 I HN 0.493 nan 8.210 nan 0.000 0.466 440 N N 7.111 125.770 118.700 -0.069 0.000 2.402 440 N HA 0.091 4.824 4.740 -0.013 0.000 0.252 440 N C 0.806 176.220 175.510 -0.160 0.000 1.118 440 N CA -0.300 52.627 53.050 -0.204 0.000 0.945 440 N CB 0.957 39.176 38.487 -0.447 0.000 1.147 440 N HN 0.381 nan 8.380 nan 0.000 0.495 441 M N 2.385 121.893 119.600 -0.154 0.000 2.296 441 M HA -0.043 4.429 4.480 -0.013 0.000 0.265 441 M C 1.906 178.070 176.300 -0.226 0.000 1.064 441 M CA 0.634 55.861 55.300 -0.122 0.000 1.109 441 M CB -1.493 31.079 32.600 -0.046 0.000 1.396 441 M HN 0.596 nan 8.290 nan 0.000 0.430 442 A N -0.399 122.286 122.820 -0.226 0.000 1.898 442 A HA -0.168 4.145 4.320 -0.013 0.000 0.216 442 A C 1.987 179.351 177.584 -0.367 0.000 1.181 442 A CA 1.428 53.294 52.037 -0.285 0.000 0.620 442 A CB -1.101 17.943 19.000 0.073 0.000 0.819 442 A HN 0.586 nan 8.150 nan 0.000 0.442 443 H N -1.029 117.832 119.070 -0.348 0.000 2.353 443 H HA -0.036 4.512 4.556 -0.013 0.000 0.300 443 H C 2.126 177.238 175.328 -0.361 0.000 1.090 443 H CA 0.971 56.783 56.048 -0.392 0.000 1.327 443 H CB -0.075 29.669 29.762 -0.029 0.000 1.383 443 H HN 0.359 nan 8.280 nan 0.000 0.508 444 L N 0.418 121.564 121.223 -0.129 0.000 2.012 444 L HA -0.241 4.091 4.340 -0.013 0.000 0.210 444 L C 2.298 179.032 176.870 -0.228 0.000 1.073 444 L CA 1.334 56.092 54.840 -0.136 0.000 0.748 444 L CB -0.385 41.622 42.059 -0.087 0.000 0.891 444 L HN 0.457 nan 8.230 nan 0.000 0.431 445 C N -0.106 118.949 119.300 -0.408 0.000 2.429 445 C HA -0.159 4.294 4.460 -0.013 0.000 0.277 445 C C 2.648 177.364 174.990 -0.456 0.000 1.262 445 C CA 0.528 59.211 59.018 -0.558 0.000 1.733 445 C CB -0.719 26.276 27.740 -1.242 0.000 2.010 445 C HN 0.504 nan 8.230 nan 0.000 0.483 446 I N 1.496 121.755 120.570 -0.518 0.000 2.179 446 I HA -0.196 3.967 4.170 -0.013 0.000 0.242 446 I C 2.770 178.746 176.117 -0.234 0.000 1.088 446 I CA 1.638 62.694 61.300 -0.408 0.000 1.357 446 I CB -0.605 37.013 38.000 -0.637 0.000 1.051 446 I HN 0.259 nan 8.210 nan 0.000 0.409 447 A N 0.626 123.275 122.820 -0.286 0.000 1.908 447 A HA -0.138 4.174 4.320 -0.013 0.000 0.218 447 A C 2.209 179.857 177.584 0.107 0.000 1.181 447 A CA 2.020 53.935 52.037 -0.202 0.000 0.627 447 A CB -1.242 17.461 19.000 -0.495 0.000 0.818 447 A HN 0.490 nan 8.150 nan 0.000 0.445 448 G N -1.259 107.537 108.800 -0.006 0.000 3.434 448 G HA2 0.429 4.381 3.960 -0.013 0.000 0.258 448 G HA3 0.429 4.381 3.960 -0.013 0.000 0.258 448 G C 0.052 174.795 174.900 -0.261 0.000 1.128 448 G CA 0.496 45.474 45.100 -0.202 0.000 0.792 448 G HN 0.345 nan 8.290 nan 0.000 0.539 449 S N -0.406 115.195 115.700 -0.165 0.000 2.536 449 S HA 0.322 4.784 4.470 -0.013 0.000 0.298 449 S C 0.745 175.295 174.600 -0.083 0.000 1.083 449 S CA -0.717 57.407 58.200 -0.127 0.000 0.995 449 S CB 1.309 64.437 63.200 -0.120 0.000 1.058 449 S HN 0.501 nan 8.310 nan 0.000 0.488 450 H N -0.014 119.023 119.070 -0.055 0.000 2.551 450 H HA 0.475 5.023 4.556 -0.013 0.000 0.266 450 H C 0.159 175.481 175.328 -0.010 0.000 0.964 450 H CA 0.325 56.368 56.048 -0.008 0.000 1.180 450 H CB 0.169 29.938 29.762 0.012 0.000 1.408 450 H HN 0.509 nan 8.280 nan 0.000 0.563 451 A N 1.049 123.571 122.820 -0.496 0.000 2.455 451 A HA 0.559 4.871 4.320 -0.013 0.000 0.300 451 A C -1.395 175.991 177.584 -0.331 0.000 1.040 451 A CA -0.583 51.226 52.037 -0.379 0.000 0.697 451 A CB 2.296 21.049 19.000 -0.411 0.000 1.265 451 A HN 0.099 nan 8.150 nan 0.000 0.407 452 V N 4.203 123.884 119.914 -0.388 0.000 2.483 452 V HA 0.515 4.627 4.120 -0.013 0.000 0.297 452 V C -0.748 175.145 176.094 -0.335 0.000 1.027 452 V CA -0.783 61.267 62.300 -0.416 0.000 0.855 452 V CB 1.746 33.152 31.823 -0.695 0.000 0.995 452 V HN 1.012 nan 8.190 nan 0.000 0.424 453 N N 3.213 121.741 118.700 -0.287 0.000 2.240 453 N HA 0.624 5.356 4.740 -0.013 0.000 0.302 453 N C -0.234 175.173 175.510 -0.171 0.000 1.106 453 N CA -0.367 52.562 53.050 -0.201 0.000 0.778 453 N CB 2.900 41.247 38.487 -0.234 0.000 1.431 453 N HN 0.624 nan 8.380 nan 0.000 0.479 454 G N -0.813 107.934 108.800 -0.089 0.000 2.531 454 G HA2 0.428 4.380 3.960 -0.013 0.000 0.313 454 G HA3 0.428 4.380 3.960 -0.013 0.000 0.313 454 G C 0.721 175.683 174.900 0.103 0.000 1.238 454 G CA -0.443 44.677 45.100 0.033 0.000 0.994 454 G HN 0.654 nan 8.290 nan 0.000 0.493 455 V N -3.964 116.111 119.914 0.267 0.000 3.380 455 V HA 0.706 4.818 4.120 -0.013 0.000 0.307 455 V C 0.526 176.692 176.094 0.121 0.000 1.434 455 V CA 0.437 62.808 62.300 0.118 0.000 1.075 455 V CB -0.653 31.188 31.823 0.030 0.000 0.954 455 V HN 1.358 nan 8.190 nan 0.000 0.444 456 A N -0.042 122.866 122.820 0.145 0.000 2.605 456 A HA 0.649 4.961 4.320 -0.013 0.000 0.294 456 A C 0.671 178.308 177.584 0.087 0.000 1.062 456 A CA -0.101 52.002 52.037 0.109 0.000 0.682 456 A CB 1.215 20.269 19.000 0.090 0.000 1.278 456 A HN 0.028 nan 8.150 nan 0.000 0.410 457 R N 0.714 121.244 120.500 0.051 0.000 2.083 457 R HA -0.147 4.185 4.340 -0.013 0.000 0.237 457 R C 1.668 177.970 176.300 0.004 0.000 1.137 457 R CA 2.241 58.349 56.100 0.014 0.000 0.951 457 R CB -0.241 30.061 30.300 0.003 0.000 0.851 457 R HN 0.817 nan 8.270 nan 0.000 0.434 458 I N 0.240 120.821 120.570 0.018 0.000 2.286 458 I HA -0.307 3.856 4.170 -0.013 0.000 0.248 458 I C 2.344 178.474 176.117 0.022 0.000 1.115 458 I CA 1.890 63.194 61.300 0.007 0.000 1.392 458 I CB -0.211 37.791 38.000 0.005 0.000 1.065 458 I HN 0.350 nan 8.210 nan 0.000 0.418 459 H N 0.178 119.224 119.070 -0.039 0.000 2.326 459 H HA -0.117 4.431 4.556 -0.013 0.000 0.301 459 H C 2.291 177.592 175.328 -0.045 0.000 1.081 459 H CA 2.183 58.204 56.048 -0.045 0.000 1.334 459 H CB -0.243 29.498 29.762 -0.035 0.000 1.385 459 H HN 0.231 nan 8.280 nan 0.000 0.504 460 S N 0.392 115.991 115.700 -0.169 0.000 2.382 460 S HA -0.135 4.328 4.470 -0.013 0.000 0.228 460 S C 1.887 176.376 174.600 -0.185 0.000 1.027 460 S CA 1.266 59.348 58.200 -0.197 0.000 0.991 460 S CB -0.090 63.061 63.200 -0.083 0.000 0.823 460 S HN 0.495 nan 8.310 nan 0.000 0.469 461 E N 1.120 121.231 120.200 -0.148 0.000 2.072 461 E HA -0.007 4.336 4.350 -0.013 0.000 0.191 461 E C 2.028 178.519 176.600 -0.182 0.000 0.985 461 E CA 0.628 56.930 56.400 -0.163 0.000 0.801 461 E CB -0.383 29.251 29.700 -0.111 0.000 0.750 461 E HN 0.511 nan 8.360 nan 0.000 0.452 462 I N 1.032 121.506 120.570 -0.160 0.000 2.264 462 I HA -0.278 3.884 4.170 -0.013 0.000 0.248 462 I C 2.402 178.395 176.117 -0.206 0.000 1.111 462 I CA 0.822 62.030 61.300 -0.154 0.000 1.382 462 I CB -0.240 37.699 38.000 -0.102 0.000 1.060 462 I HN 0.061 nan 8.210 nan 0.000 0.418 463 L N 0.360 121.426 121.223 -0.261 0.000 2.046 463 L HA -0.231 4.101 4.340 -0.013 0.000 0.208 463 L C 2.454 179.222 176.870 -0.170 0.000 1.077 463 L CA 1.590 56.304 54.840 -0.210 0.000 0.747 463 L CB -0.582 41.436 42.059 -0.068 0.000 0.896 463 L HN 0.216 nan 8.230 nan 0.000 0.432 464 K N -0.055 120.166 120.400 -0.298 0.000 2.228 464 K HA -0.091 4.221 4.320 -0.013 0.000 0.202 464 K C 1.982 178.384 176.600 -0.330 0.000 1.051 464 K CA 0.848 56.816 56.287 -0.532 0.000 0.960 464 K CB 0.100 32.031 32.500 -0.947 0.000 0.743 464 K HN 0.295 nan 8.250 nan 0.000 0.458 465 K N -0.064 120.201 120.400 -0.224 0.000 2.284 465 K HA -0.013 4.299 4.320 -0.013 0.000 0.198 465 K C 1.909 178.455 176.600 -0.090 0.000 1.048 465 K CA 1.319 57.525 56.287 -0.134 0.000 0.987 465 K CB 0.488 32.918 32.500 -0.117 0.000 0.800 465 K HN 0.226 nan 8.250 nan 0.000 0.486 466 T N -1.121 113.369 114.554 -0.107 0.000 3.257 466 T HA 0.066 4.408 4.350 -0.013 0.000 0.176 466 T C 1.927 176.576 174.700 -0.086 0.000 0.892 466 T CA -0.018 62.030 62.100 -0.087 0.000 1.147 466 T CB -0.736 68.074 68.868 -0.096 0.000 1.840 466 T HN 0.104 nan 8.240 nan 0.000 0.375 467 I N -0.927 119.526 120.570 -0.194 0.000 2.361 467 I HA 0.227 4.389 4.170 -0.013 0.000 0.251 467 I C 1.411 177.459 176.117 -0.116 0.000 1.133 467 I CA 1.335 62.477 61.300 -0.262 0.000 1.413 467 I CB -0.617 37.072 38.000 -0.518 0.000 1.073 467 I HN 0.252 nan 8.210 nan 0.000 0.424 468 F N 0.817 120.840 119.950 0.120 0.000 2.735 468 F HA 0.343 4.862 4.527 -0.013 0.000 0.304 468 F C 1.993 177.886 175.800 0.154 0.000 1.119 468 F CA -0.636 57.505 58.000 0.235 0.000 1.280 468 F CB 0.153 39.295 39.000 0.236 0.000 0.994 468 F HN -0.095 nan 8.300 nan 0.000 0.520 469 K N 1.072 121.586 120.400 0.190 0.000 2.044 469 K HA -0.216 4.096 4.320 -0.013 0.000 0.210 469 K C 1.373 178.028 176.600 0.092 0.000 1.049 469 K CA 2.198 58.537 56.287 0.087 0.000 0.927 469 K CB -0.022 32.494 32.500 0.027 0.000 0.713 469 K HN 0.152 nan 8.250 nan 0.000 0.443 470 D N -0.136 120.297 120.400 0.055 0.000 2.123 470 D HA -0.169 4.464 4.640 -0.013 0.000 0.196 470 D C 1.813 178.025 176.300 -0.147 0.000 0.992 470 D CA 1.282 55.187 54.000 -0.159 0.000 0.833 470 D CB -0.276 40.335 40.800 -0.314 0.000 0.954 470 D HN 0.252 nan 8.370 nan 0.000 0.455 471 F N -0.258 119.761 119.950 0.114 0.000 2.206 471 F HA -0.130 4.390 4.527 -0.013 0.000 0.298 471 F C 2.342 178.269 175.800 0.211 0.000 1.090 471 F CA 0.461 58.604 58.000 0.239 0.000 1.323 471 F CB -0.659 38.558 39.000 0.363 0.000 1.028 471 F HN -0.042 nan 8.300 nan 0.000 0.492 472 Y N 1.405 121.655 120.300 -0.084 0.000 2.224 472 Y HA -0.207 4.336 4.550 -0.013 0.000 0.289 472 Y C 2.113 177.982 175.900 -0.052 0.000 1.146 472 Y CA 1.637 59.499 58.100 -0.398 0.000 1.182 472 Y CB -0.587 37.463 38.460 -0.683 0.000 0.983 472 Y HN 0.139 nan 8.280 nan 0.000 0.524 473 E N -0.436 119.717 120.200 -0.079 0.000 2.106 473 E HA -0.195 4.147 4.350 -0.013 0.000 0.192 473 E C 2.004 178.662 176.600 0.098 0.000 0.984 473 E CA 1.207 57.577 56.400 -0.050 0.000 0.806 473 E CB -0.272 29.439 29.700 0.019 0.000 0.750 473 E HN 0.430 nan 8.360 nan 0.000 0.458 474 L N 0.959 122.277 121.223 0.158 0.000 2.044 474 L HA -0.058 4.275 4.340 -0.013 0.000 0.205 474 L C 0.316 177.270 176.870 0.138 0.000 1.075 474 L CA 1.705 56.675 54.840 0.216 0.000 0.747 474 L CB 0.358 42.536 42.059 0.199 0.000 0.903 474 L HN -0.100 nan 8.230 nan 0.000 0.435 475 E N -0.209 120.069 120.200 0.131 0.000 3.374 475 E HA 0.179 4.521 4.350 -0.013 0.000 0.223 475 E C -1.968 174.578 176.600 -0.090 0.000 1.210 475 E CA -1.251 55.146 56.400 -0.004 0.000 0.987 475 E CB 0.775 30.486 29.700 0.020 0.000 1.322 475 E HN 0.217 nan 8.360 nan 0.000 0.404 476 P HA -0.239 nan 4.420 nan 0.000 0.218 476 P C 1.187 178.565 177.300 0.130 0.000 1.148 476 P CA 1.357 64.345 63.100 -0.187 0.000 0.822 476 P CB -0.058 31.431 31.700 -0.352 0.000 0.784 477 H N -0.140 119.029 119.070 0.166 0.000 2.521 477 H HA 0.057 4.606 4.556 -0.013 0.000 0.286 477 H C 1.713 177.137 175.328 0.160 0.000 1.034 477 H CA 0.833 56.971 56.048 0.150 0.000 1.278 477 H CB -0.530 29.292 29.762 0.100 0.000 1.386 477 H HN 0.158 nan 8.280 nan 0.000 0.567 478 K N 0.264 120.582 120.400 -0.138 0.000 2.228 478 K HA 0.045 4.357 4.320 -0.013 0.000 0.202 478 K C -0.239 176.251 176.600 -0.183 0.000 1.051 478 K CA 0.078 56.269 56.287 -0.160 0.000 0.960 478 K CB 0.172 32.472 32.500 -0.334 0.000 0.743 478 K HN 0.050 nan 8.250 nan 0.000 0.458 479 F N 1.542 121.525 119.950 0.055 0.000 2.411 479 F HA 0.241 4.760 4.527 -0.013 0.000 0.350 479 F C 0.282 176.092 175.800 0.015 0.000 1.114 479 F CA -0.288 57.747 58.000 0.058 0.000 1.135 479 F CB 1.266 40.359 39.000 0.156 0.000 1.120 479 F HN -0.069 nan 8.300 nan 0.000 0.495 480 Q N 1.825 121.661 119.800 0.059 0.000 2.544 480 Q HA 0.342 4.674 4.340 -0.013 0.000 0.291 480 Q C -1.199 174.765 176.000 -0.060 0.000 1.068 480 Q CA -1.248 54.541 55.803 -0.022 0.000 0.785 480 Q CB 3.165 31.836 28.738 -0.112 0.000 1.481 480 Q HN 0.615 nan 8.270 nan 0.000 0.430 481 N N 0.794 119.441 118.700 -0.088 0.000 2.314 481 N HA 0.277 5.010 4.740 -0.013 0.000 0.304 481 N C -1.440 173.970 175.510 -0.166 0.000 1.073 481 N CA -0.390 52.603 53.050 -0.096 0.000 0.822 481 N CB 1.015 39.468 38.487 -0.056 0.000 1.280 481 N HN 0.287 nan 8.380 nan 0.000 0.489 482 K N 2.735 123.036 120.400 -0.166 0.000 2.675 482 K HA 0.187 4.499 4.320 -0.013 0.000 0.224 482 K C -0.934 175.666 176.600 0.000 0.000 1.003 482 K CA -0.498 55.665 56.287 -0.207 0.000 1.034 482 K CB 1.278 33.421 32.500 -0.595 0.000 1.218 482 K HN 0.537 nan 8.250 nan 0.000 0.507 483 T N 2.121 116.695 114.554 0.034 0.000 2.902 483 T HA 0.053 4.395 4.350 -0.013 0.000 0.301 483 T C 0.792 175.616 174.700 0.208 0.000 1.012 483 T CA 0.333 62.505 62.100 0.120 0.000 1.151 483 T CB 0.290 69.231 68.868 0.121 0.000 0.946 483 T HN 0.361 nan 8.240 nan 0.000 0.542 484 N N 0.592 119.437 118.700 0.242 0.000 2.267 484 N HA 0.396 5.128 4.740 -0.013 0.000 0.226 484 N C 0.474 176.173 175.510 0.315 0.000 1.314 484 N CA -0.146 53.083 53.050 0.298 0.000 0.887 484 N CB 0.387 38.989 38.487 0.192 0.000 1.120 484 N HN 0.758 nan 8.380 nan 0.000 0.440 485 G N -0.618 108.378 108.800 0.328 0.000 2.687 485 G HA2 0.610 4.562 3.960 -0.013 0.000 0.291 485 G HA3 0.610 4.562 3.960 -0.013 0.000 0.291 485 G C -1.401 173.633 174.900 0.224 0.000 1.420 485 G CA -0.740 44.536 45.100 0.292 0.000 0.796 485 G HN 0.599 nan 8.290 nan 0.000 0.485 486 I N -2.375 118.312 120.570 0.195 0.000 2.828 486 I HA 0.740 4.902 4.170 -0.013 0.000 0.302 486 I C -0.210 176.066 176.117 0.264 0.000 1.101 486 I CA -0.943 60.465 61.300 0.180 0.000 1.031 486 I CB 2.467 40.463 38.000 -0.007 0.000 1.231 486 I HN 0.476 nan 8.210 nan 0.000 0.427 487 T N 4.381 119.147 114.554 0.354 0.000 2.814 487 T HA 0.353 4.695 4.350 -0.013 0.000 0.297 487 T C -1.453 173.364 174.700 0.195 0.000 0.956 487 T CA -1.582 60.649 62.100 0.218 0.000 1.123 487 T CB 0.739 69.679 68.868 0.121 0.000 0.902 487 T HN 0.622 nan 8.240 nan 0.000 0.528 488 P HA 0.052 nan 4.420 nan 0.000 0.237 488 P C 1.099 178.364 177.300 -0.059 0.000 1.178 488 P CA 0.323 63.458 63.100 0.059 0.000 0.766 488 P CB 0.341 32.060 31.700 0.032 0.000 0.876 489 R N 0.395 120.814 120.500 -0.134 0.000 2.056 489 R HA 0.008 4.340 4.340 -0.013 0.000 0.227 489 R C 2.665 178.842 176.300 -0.205 0.000 1.149 489 R CA 1.537 57.514 56.100 -0.204 0.000 0.937 489 R CB -1.206 28.976 30.300 -0.196 0.000 0.835 489 R HN 0.039 nan 8.270 nan 0.000 0.430 490 R N -0.828 119.493 120.500 -0.299 0.000 2.081 490 R HA -0.126 4.206 4.340 -0.013 0.000 0.235 490 R C 1.099 177.049 176.300 -0.584 0.000 1.131 490 R CA 1.708 57.469 56.100 -0.564 0.000 0.960 490 R CB -0.164 29.594 30.300 -0.903 0.000 0.856 490 R HN 0.303 nan 8.270 nan 0.000 0.436 491 W N -0.475 120.780 121.300 -0.075 0.000 3.353 491 W HA 0.163 4.814 4.660 -0.014 0.000 0.304 491 W C 0.993 177.480 176.519 -0.055 0.000 1.273 491 W CA -0.700 56.600 57.345 -0.076 0.000 1.773 491 W CB 0.450 29.869 29.460 -0.068 0.000 1.095 491 W HN 0.217 nan 8.180 nan 0.000 0.676 492 L N -2.169 119.106 121.223 0.088 0.000 2.692 492 L HA 0.198 4.530 4.340 -0.013 0.000 0.175 492 L C 1.760 178.641 176.870 0.020 0.000 1.112 492 L CA 0.817 55.703 54.840 0.075 0.000 0.908 492 L CB -0.828 41.303 42.059 0.120 0.000 1.672 492 L HN -0.245 nan 8.230 nan 0.000 0.500 493 V N 1.005 120.905 119.914 -0.022 0.000 2.295 493 V HA -0.256 3.856 4.120 -0.013 0.000 0.246 493 V C 2.444 178.506 176.094 -0.054 0.000 1.049 493 V CA 2.390 64.667 62.300 -0.037 0.000 1.024 493 V CB -0.643 31.129 31.823 -0.085 0.000 0.648 493 V HN 0.500 nan 8.190 nan 0.000 0.447 494 L N 0.537 121.698 121.223 -0.103 0.000 2.005 494 L HA -0.194 4.138 4.340 -0.013 0.000 0.207 494 L C 2.524 179.327 176.870 -0.111 0.000 1.072 494 L CA 2.472 57.236 54.840 -0.128 0.000 0.744 494 L CB -0.297 41.635 42.059 -0.212 0.000 0.895 494 L HN 0.648 nan 8.230 nan 0.000 0.433 495 C N -1.713 117.516 119.300 -0.118 0.000 2.563 495 C HA 0.186 4.638 4.460 -0.013 0.000 0.268 495 C C 1.217 176.187 174.990 -0.034 0.000 1.365 495 C CA -0.226 58.740 59.018 -0.086 0.000 1.754 495 C CB -1.016 26.675 27.740 -0.081 0.000 1.932 495 C HN 0.610 nan 8.230 nan 0.000 0.536 496 N N 1.108 119.799 118.700 -0.015 0.000 2.703 496 N HA 0.283 5.015 4.740 -0.013 0.000 0.283 496 N C -1.795 173.723 175.510 0.013 0.000 1.851 496 N CA -1.564 51.489 53.050 0.005 0.000 0.826 496 N CB 0.742 39.240 38.487 0.020 0.000 1.239 496 N HN 0.242 nan 8.380 nan 0.000 0.495 497 P HA -0.037 nan 4.420 nan 0.000 0.218 497 P C 1.407 178.720 177.300 0.022 0.000 1.149 497 P CA 0.891 63.998 63.100 0.013 0.000 0.817 497 P CB 0.232 31.932 31.700 0.000 0.000 0.785 498 G N 0.666 109.474 108.800 0.013 0.000 2.446 498 G HA2 -0.253 3.700 3.960 -0.013 0.000 0.217 498 G HA3 -0.253 3.700 3.960 -0.013 0.000 0.217 498 G C 1.530 176.437 174.900 0.012 0.000 1.168 498 G CA 0.699 45.804 45.100 0.009 0.000 0.771 498 G HN 0.245 nan 8.290 nan 0.000 0.551 499 L N 1.283 122.515 121.223 0.015 0.000 2.056 499 L HA 0.244 4.576 4.340 -0.013 0.000 0.207 499 L C 3.101 180.002 176.870 0.052 0.000 1.078 499 L CA 2.023 56.872 54.840 0.015 0.000 0.749 499 L CB -0.782 41.287 42.059 0.016 0.000 0.901 499 L HN 0.235 nan 8.230 nan 0.000 0.433 500 A N -0.739 122.133 122.820 0.087 0.000 1.948 500 A HA -0.286 4.027 4.320 -0.013 0.000 0.220 500 A C 2.257 179.940 177.584 0.165 0.000 1.177 500 A CA 1.978 54.119 52.037 0.173 0.000 0.636 500 A CB -0.699 18.391 19.000 0.149 0.000 0.815 500 A HN 0.560 nan 8.150 nan 0.000 0.449 501 E N 0.513 120.769 120.200 0.094 0.000 2.046 501 E HA -0.139 4.203 4.350 -0.013 0.000 0.190 501 E C 1.843 178.483 176.600 0.067 0.000 0.982 501 E CA 1.473 57.918 56.400 0.075 0.000 0.800 501 E CB -0.505 29.221 29.700 0.043 0.000 0.756 501 E HN 0.743 nan 8.360 nan 0.000 0.449 502 I N -1.624 118.979 120.570 0.055 0.000 2.361 502 I HA -0.146 4.016 4.170 -0.013 0.000 0.251 502 I C 2.112 178.299 176.117 0.118 0.000 1.133 502 I CA 1.123 62.467 61.300 0.074 0.000 1.413 502 I CB -0.356 37.666 38.000 0.037 0.000 1.073 502 I HN 0.023 nan 8.210 nan 0.000 0.424 503 I N 1.956 122.570 120.570 0.074 0.000 2.202 503 I HA -0.188 3.974 4.170 -0.013 0.000 0.242 503 I C 3.024 179.091 176.117 -0.083 0.000 1.091 503 I CA 1.346 62.610 61.300 -0.059 0.000 1.368 503 I CB -0.515 37.327 38.000 -0.262 0.000 1.058 503 I HN 0.294 nan 8.210 nan 0.000 0.410 504 A N 0.472 123.340 122.820 0.080 0.000 1.940 504 A HA -0.240 4.072 4.320 -0.013 0.000 0.219 504 A C 2.169 179.786 177.584 0.055 0.000 1.176 504 A CA 1.725 53.859 52.037 0.162 0.000 0.631 504 A CB -0.637 18.487 19.000 0.206 0.000 0.814 504 A HN 0.460 nan 8.150 nan 0.000 0.446 505 E N -0.764 119.450 120.200 0.023 0.000 2.118 505 E HA -0.209 4.133 4.350 -0.013 0.000 0.195 505 E C 2.228 178.798 176.600 -0.051 0.000 0.992 505 E CA 1.157 57.557 56.400 -0.001 0.000 0.804 505 E CB -0.073 29.632 29.700 0.009 0.000 0.741 505 E HN 0.420 nan 8.360 nan 0.000 0.458 506 R N 0.141 120.553 120.500 -0.146 0.000 2.090 506 R HA 0.070 4.403 4.340 -0.013 0.000 0.219 506 R C 2.302 178.514 176.300 -0.147 0.000 1.100 506 R CA 0.885 56.819 56.100 -0.277 0.000 0.991 506 R CB -0.281 29.530 30.300 -0.815 0.000 0.893 506 R HN 0.347 nan 8.270 nan 0.000 0.443 507 I N -3.337 117.163 120.570 -0.117 0.000 4.147 507 I HA 0.449 4.611 4.170 -0.013 0.000 0.329 507 I C 0.427 176.580 176.117 0.059 0.000 1.424 507 I CA 0.085 61.368 61.300 -0.028 0.000 1.127 507 I CB 0.826 38.787 38.000 -0.064 0.000 1.128 507 I HN 0.166 nan 8.210 nan 0.000 0.417 508 G N 2.014 110.860 108.800 0.077 0.000 2.725 508 G HA2 -0.228 3.725 3.960 -0.013 0.000 0.220 508 G HA3 -0.228 3.725 3.960 -0.013 0.000 0.220 508 G C 0.005 175.030 174.900 0.208 0.000 1.357 508 G CA 0.250 45.417 45.100 0.112 0.000 0.866 508 G HN 0.437 nan 8.290 nan 0.000 0.548 509 E N -0.180 120.095 120.200 0.126 0.000 2.460 509 E HA 0.094 4.436 4.350 -0.013 0.000 0.200 509 E C 2.048 178.606 176.600 -0.069 0.000 1.011 509 E CA 0.355 56.776 56.400 0.035 0.000 0.912 509 E CB 0.243 29.954 29.700 0.017 0.000 0.953 509 E HN 0.638 nan 8.360 nan 0.000 0.494 510 E N 0.392 120.617 120.200 0.041 0.000 2.209 510 E HA -0.224 4.118 4.350 -0.013 0.000 0.196 510 E C 1.690 178.289 176.600 -0.002 0.000 0.993 510 E CA 1.206 57.623 56.400 0.028 0.000 0.819 510 E CB -0.192 29.546 29.700 0.064 0.000 0.745 510 E HN 0.482 nan 8.360 nan 0.000 0.477 511 Y N -0.700 119.604 120.300 0.007 0.000 2.403 511 Y HA -0.078 4.465 4.550 -0.011 0.000 0.291 511 Y C 1.752 177.629 175.900 -0.038 0.000 1.143 511 Y CA 0.584 58.679 58.100 -0.008 0.000 1.257 511 Y CB -0.509 37.948 38.460 -0.004 0.000 0.984 511 Y HN -0.053 nan 8.280 nan 0.000 0.550 512 I N 0.914 121.027 120.570 -0.761 0.000 2.454 512 I HA -0.221 3.941 4.170 -0.013 0.000 0.254 512 I C 1.700 177.560 176.117 -0.429 0.000 1.156 512 I CA 1.741 62.627 61.300 -0.690 0.000 1.433 512 I CB -0.357 37.144 38.000 -0.832 0.000 1.082 512 I HN 0.466 nan 8.210 nan 0.000 0.432 513 S N -2.086 113.472 115.700 -0.237 0.000 2.650 513 S HA 0.174 4.636 4.470 -0.013 0.000 0.240 513 S C 0.166 174.752 174.600 -0.024 0.000 1.007 513 S CA -0.468 57.673 58.200 -0.098 0.000 0.984 513 S CB 0.307 63.524 63.200 0.029 0.000 0.910 513 S HN 0.274 nan 8.310 nan 0.000 0.509 514 D N 0.682 121.076 120.400 -0.010 0.000 2.823 514 D HA 0.247 4.879 4.640 -0.013 0.000 0.255 514 D C 0.320 176.663 176.300 0.071 0.000 1.257 514 D CA -0.369 53.650 54.000 0.031 0.000 0.803 514 D CB 0.409 41.232 40.800 0.038 0.000 1.384 514 D HN 0.097 nan 8.370 nan 0.000 0.541 515 L N 1.138 122.402 121.223 0.069 0.000 2.353 515 L HA 0.002 4.335 4.340 -0.013 0.000 0.220 515 L C 1.409 178.330 176.870 0.085 0.000 1.133 515 L CA 1.480 56.389 54.840 0.116 0.000 0.798 515 L CB -0.053 42.067 42.059 0.103 0.000 0.922 515 L HN 0.247 nan 8.230 nan 0.000 0.445 516 D N -0.693 119.734 120.400 0.045 0.000 2.265 516 D HA -0.214 4.419 4.640 -0.013 0.000 0.208 516 D C 1.919 178.239 176.300 0.032 0.000 0.977 516 D CA 0.815 54.827 54.000 0.020 0.000 0.871 516 D CB 0.055 40.855 40.800 0.000 0.000 0.925 516 D HN 0.551 nan 8.370 nan 0.000 0.485 517 Q N -0.103 119.734 119.800 0.061 0.000 2.364 517 Q HA -0.026 4.307 4.340 -0.013 0.000 0.207 517 Q C 2.257 178.272 176.000 0.026 0.000 0.970 517 Q CA 0.209 56.048 55.803 0.060 0.000 0.888 517 Q CB 0.055 28.857 28.738 0.107 0.000 0.951 517 Q HN 0.385 nan 8.270 nan 0.000 0.469 518 L N 0.180 121.412 121.223 0.014 0.000 2.261 518 L HA -0.191 4.141 4.340 -0.013 0.000 0.216 518 L C 2.242 179.103 176.870 -0.015 0.000 1.114 518 L CA 0.892 55.706 54.840 -0.043 0.000 0.777 518 L CB -0.364 41.682 42.059 -0.022 0.000 0.910 518 L HN 0.207 nan 8.230 nan 0.000 0.440 519 R N 0.311 120.813 120.500 0.004 0.000 2.159 519 R HA -0.177 4.155 4.340 -0.013 0.000 0.237 519 R C 2.090 178.395 176.300 0.007 0.000 1.131 519 R CA 1.027 57.132 56.100 0.007 0.000 0.982 519 R CB -0.196 30.106 30.300 0.003 0.000 0.868 519 R HN 0.397 nan 8.270 nan 0.000 0.453 520 K N 0.570 120.974 120.400 0.007 0.000 2.280 520 K HA -0.099 4.213 4.320 -0.013 0.000 0.202 520 K C 1.825 178.469 176.600 0.073 0.000 1.047 520 K CA 0.864 57.166 56.287 0.026 0.000 0.942 520 K CB -0.055 32.465 32.500 0.033 0.000 0.739 520 K HN 0.215 nan 8.250 nan 0.000 0.457 521 L N 0.532 121.776 121.223 0.035 0.000 2.465 521 L HA -0.136 4.197 4.340 -0.013 0.000 0.224 521 L C 1.807 178.737 176.870 0.100 0.000 1.145 521 L CA 0.033 54.902 54.840 0.049 0.000 0.834 521 L CB -0.260 41.777 42.059 -0.037 0.000 0.944 521 L HN 0.123 nan 8.230 nan 0.000 0.451 522 L N 0.141 121.395 121.223 0.051 0.000 2.127 522 L HA -0.191 4.142 4.340 -0.013 0.000 0.211 522 L C 2.730 179.589 176.870 -0.018 0.000 1.089 522 L CA 1.965 56.821 54.840 0.027 0.000 0.757 522 L CB -0.995 41.067 42.059 0.005 0.000 0.899 522 L HN 0.374 nan 8.230 nan 0.000 0.434 523 S N -2.676 112.970 115.700 -0.089 0.000 2.607 523 S HA -0.090 4.372 4.470 -0.013 0.000 0.224 523 S C 1.257 175.591 174.600 -0.444 0.000 0.969 523 S CA 0.308 58.349 58.200 -0.266 0.000 0.927 523 S CB -0.530 62.456 63.200 -0.357 0.000 0.772 523 S HN 0.476 nan 8.310 nan 0.000 0.533 524 Y N -0.387 119.841 120.300 -0.121 0.000 2.531 524 Y HA 0.441 4.988 4.550 -0.004 0.000 0.249 524 Y C 1.896 177.826 175.900 0.050 0.000 1.168 524 Y CA -0.542 57.483 58.100 -0.125 0.000 1.226 524 Y CB 0.228 38.402 38.460 -0.478 0.000 1.177 524 Y HN 0.250 nan 8.280 nan 0.000 0.527 525 V N 0.395 120.397 119.914 0.147 0.000 2.759 525 V HA -0.195 3.918 4.120 -0.013 0.000 0.256 525 V C 0.903 177.066 176.094 0.115 0.000 1.080 525 V CA 2.155 64.543 62.300 0.148 0.000 1.101 525 V CB -0.006 31.866 31.823 0.083 0.000 0.698 525 V HN 0.350 nan 8.190 nan 0.000 0.477 526 D N -0.774 119.673 120.400 0.079 0.000 2.395 526 D HA 0.115 4.747 4.640 -0.013 0.000 0.213 526 D C 0.389 176.735 176.300 0.076 0.000 1.110 526 D CA -0.017 54.018 54.000 0.058 0.000 0.835 526 D CB 0.138 40.949 40.800 0.019 0.000 0.965 526 D HN 0.440 nan 8.370 nan 0.000 0.505 527 D N 1.524 122.003 120.400 0.132 0.000 2.338 527 D HA -0.026 4.606 4.640 -0.013 0.000 0.255 527 D C 1.111 177.518 176.300 0.178 0.000 1.237 527 D CA 0.023 54.124 54.000 0.167 0.000 0.883 527 D CB 1.661 42.630 40.800 0.281 0.000 1.087 527 D HN -0.167 nan 8.370 nan 0.000 0.485 528 E N 3.274 123.543 120.200 0.116 0.000 2.150 528 E HA -0.129 4.214 4.350 -0.013 0.000 0.193 528 E C 1.730 178.385 176.600 0.091 0.000 0.985 528 E CA 1.333 57.785 56.400 0.086 0.000 0.814 528 E CB 0.029 29.763 29.700 0.055 0.000 0.752 528 E HN 0.581 nan 8.360 nan 0.000 0.466 529 A N -0.289 122.601 122.820 0.116 0.000 1.898 529 A HA -0.120 4.192 4.320 -0.013 0.000 0.216 529 A C 2.186 179.854 177.584 0.139 0.000 1.181 529 A CA 1.233 53.335 52.037 0.109 0.000 0.620 529 A CB -0.913 18.154 19.000 0.111 0.000 0.819 529 A HN 0.449 nan 8.150 nan 0.000 0.442 530 F N 0.407 120.377 119.950 0.033 0.000 2.102 530 F HA -0.146 4.373 4.527 -0.012 0.000 0.298 530 F C 2.036 177.843 175.800 0.013 0.000 1.105 530 F CA 1.626 59.630 58.000 0.008 0.000 1.239 530 F CB -0.130 38.885 39.000 0.025 0.000 0.991 530 F HN 0.163 nan 8.300 nan 0.000 0.474 531 I N 0.211 120.811 120.570 0.049 0.000 2.151 531 I HA -0.387 3.775 4.170 -0.013 0.000 0.243 531 I C 2.598 178.661 176.117 -0.091 0.000 1.080 531 I CA 1.783 63.059 61.300 -0.040 0.000 1.339 531 I CB -0.498 37.526 38.000 0.039 0.000 1.039 531 I HN 0.103 nan 8.210 nan 0.000 0.409 532 R N 0.803 121.275 120.500 -0.047 0.000 2.073 532 R HA -0.198 4.134 4.340 -0.013 0.000 0.234 532 R C 1.923 178.169 176.300 -0.090 0.000 1.134 532 R CA 2.006 58.076 56.100 -0.050 0.000 0.952 532 R CB -0.145 30.145 30.300 -0.016 0.000 0.850 532 R HN 0.300 nan 8.270 nan 0.000 0.433 533 D N -0.406 119.920 120.400 -0.124 0.000 2.117 533 D HA -0.121 4.511 4.640 -0.013 0.000 0.198 533 D C 1.930 178.097 176.300 -0.221 0.000 0.982 533 D CA 1.174 55.084 54.000 -0.148 0.000 0.828 533 D CB -0.187 40.538 40.800 -0.125 0.000 0.967 533 D HN 0.083 nan 8.370 nan 0.000 0.464 534 V N 1.437 121.125 119.914 -0.376 0.000 2.295 534 V HA -0.250 3.862 4.120 -0.013 0.000 0.246 534 V C 2.520 178.520 176.094 -0.155 0.000 1.049 534 V CA 1.929 64.027 62.300 -0.337 0.000 1.024 534 V CB -0.817 30.728 31.823 -0.462 0.000 0.648 534 V HN 0.194 nan 8.190 nan 0.000 0.447 535 A N -0.502 122.248 122.820 -0.118 0.000 1.933 535 A HA -0.245 4.068 4.320 -0.013 0.000 0.218 535 A C 2.353 179.900 177.584 -0.061 0.000 1.175 535 A CA 2.058 54.059 52.037 -0.060 0.000 0.628 535 A CB -0.469 18.501 19.000 -0.051 0.000 0.814 535 A HN 0.532 nan 8.150 nan 0.000 0.444 536 K N -0.153 120.205 120.400 -0.070 0.000 2.026 536 K HA -0.095 4.217 4.320 -0.013 0.000 0.208 536 K C 1.819 178.391 176.600 -0.046 0.000 1.048 536 K CA 1.658 57.913 56.287 -0.054 0.000 0.929 536 K CB -0.284 32.186 32.500 -0.050 0.000 0.713 536 K HN 0.224 nan 8.250 nan 0.000 0.439 537 V N 1.767 121.648 119.914 -0.056 0.000 2.343 537 V HA -0.239 3.873 4.120 -0.013 0.000 0.247 537 V C 2.408 178.487 176.094 -0.026 0.000 1.051 537 V CA 2.008 64.284 62.300 -0.039 0.000 1.036 537 V CB -0.467 31.326 31.823 -0.050 0.000 0.654 537 V HN 0.361 nan 8.190 nan 0.000 0.451 538 K N 0.461 120.843 120.400 -0.030 0.000 2.026 538 K HA -0.226 4.086 4.320 -0.013 0.000 0.208 538 K C 2.176 178.749 176.600 -0.045 0.000 1.048 538 K CA 1.803 58.079 56.287 -0.018 0.000 0.929 538 K CB -0.520 31.985 32.500 0.008 0.000 0.713 538 K HN 0.373 nan 8.250 nan 0.000 0.439 539 Q N 1.007 120.774 119.800 -0.055 0.000 2.096 539 Q HA -0.140 4.192 4.340 -0.013 0.000 0.204 539 Q C 1.716 177.695 176.000 -0.036 0.000 0.982 539 Q CA 2.095 57.857 55.803 -0.068 0.000 0.850 539 Q CB -0.112 28.591 28.738 -0.058 0.000 0.901 539 Q HN 0.511 nan 8.270 nan 0.000 0.422 540 E N -0.506 119.685 120.200 -0.016 0.000 2.077 540 E HA -0.180 4.163 4.350 -0.013 0.000 0.193 540 E C 1.779 178.400 176.600 0.034 0.000 0.989 540 E CA 1.078 57.483 56.400 0.009 0.000 0.800 540 E CB -0.119 29.584 29.700 0.005 0.000 0.746 540 E HN 0.415 nan 8.360 nan 0.000 0.452 541 N N 1.017 119.734 118.700 0.029 0.000 2.120 541 N HA -0.138 4.594 4.740 -0.013 0.000 0.188 541 N C 1.535 177.118 175.510 0.122 0.000 1.024 541 N CA 1.069 54.156 53.050 0.062 0.000 0.852 541 N CB -0.127 38.381 38.487 0.035 0.000 1.003 541 N HN 0.136 nan 8.380 nan 0.000 0.424 542 K N 0.582 121.013 120.400 0.051 0.000 2.057 542 K HA 0.005 4.317 4.320 -0.013 0.000 0.207 542 K C 2.119 178.835 176.600 0.193 0.000 1.049 542 K CA 0.675 56.995 56.287 0.055 0.000 0.931 542 K CB -0.174 32.097 32.500 -0.382 0.000 0.714 542 K HN 0.111 nan 8.250 nan 0.000 0.440 543 L N 1.159 122.444 121.223 0.105 0.000 2.017 543 L HA -0.203 4.129 4.340 -0.013 0.000 0.208 543 L C 2.630 179.594 176.870 0.157 0.000 1.073 543 L CA 1.337 56.249 54.840 0.119 0.000 0.745 543 L CB -0.346 41.753 42.059 0.066 0.000 0.894 543 L HN 0.168 nan 8.230 nan 0.000 0.432 544 K N -0.287 120.208 120.400 0.159 0.000 2.063 544 K HA -0.246 4.066 4.320 -0.013 0.000 0.208 544 K C 2.187 178.939 176.600 0.253 0.000 1.048 544 K CA 1.719 58.109 56.287 0.171 0.000 0.928 544 K CB -0.177 32.407 32.500 0.140 0.000 0.713 544 K HN 0.083 nan 8.250 nan 0.000 0.442 545 F N 1.045 121.096 119.950 0.169 0.000 2.186 545 F HA -0.047 4.472 4.527 -0.013 0.000 0.299 545 F C 1.986 177.940 175.800 0.257 0.000 1.090 545 F CA 1.170 59.303 58.000 0.222 0.000 1.307 545 F CB -0.350 38.787 39.000 0.228 0.000 1.019 545 F HN 0.072 nan 8.300 nan 0.000 0.489 546 A N 0.132 123.109 122.820 0.260 0.000 1.933 546 A HA -0.047 4.265 4.320 -0.013 0.000 0.218 546 A C 2.382 179.987 177.584 0.035 0.000 1.175 546 A CA 1.658 53.776 52.037 0.136 0.000 0.628 546 A CB -1.413 17.732 19.000 0.243 0.000 0.814 546 A HN 0.439 nan 8.150 nan 0.000 0.444 547 A N -1.587 121.278 122.820 0.076 0.000 1.929 547 A HA -0.047 4.265 4.320 -0.013 0.000 0.216 547 A C 2.105 179.703 177.584 0.023 0.000 1.176 547 A CA 1.430 53.498 52.037 0.052 0.000 0.628 547 A CB -0.780 18.269 19.000 0.081 0.000 0.816 547 A HN 0.732 nan 8.150 nan 0.000 0.444 548 Y N 0.542 120.787 120.300 -0.092 0.000 2.165 548 Y HA -0.187 4.355 4.550 -0.013 0.000 0.286 548 Y C 1.930 177.737 175.900 -0.155 0.000 1.155 548 Y CA 1.895 59.924 58.100 -0.119 0.000 1.164 548 Y CB -0.205 38.180 38.460 -0.125 0.000 0.978 548 Y HN 0.213 nan 8.280 nan 0.000 0.513 549 L N 0.066 121.097 121.223 -0.321 0.000 2.083 549 L HA -0.204 4.128 4.340 -0.013 0.000 0.209 549 L C 2.401 179.136 176.870 -0.225 0.000 1.083 549 L CA 1.652 56.304 54.840 -0.314 0.000 0.752 549 L CB -0.501 41.358 42.059 -0.332 0.000 0.899 549 L HN 0.337 nan 8.230 nan 0.000 0.433 550 E N -0.199 119.883 120.200 -0.196 0.000 2.072 550 E HA -0.182 4.160 4.350 -0.013 0.000 0.191 550 E C 2.344 178.842 176.600 -0.170 0.000 0.985 550 E CA 0.829 57.117 56.400 -0.186 0.000 0.801 550 E CB 0.040 29.680 29.700 -0.101 0.000 0.750 550 E HN 0.437 nan 8.360 nan 0.000 0.452 551 R N 0.536 120.932 120.500 -0.173 0.000 2.075 551 R HA -0.113 4.219 4.340 -0.013 0.000 0.232 551 R C 1.885 178.032 176.300 -0.254 0.000 1.126 551 R CA 1.150 57.150 56.100 -0.166 0.000 0.963 551 R CB 0.021 30.250 30.300 -0.119 0.000 0.858 551 R HN -0.006 nan 8.270 nan 0.000 0.435 552 E N -1.653 118.294 120.200 -0.422 0.000 2.364 552 E HA 0.027 4.369 4.350 -0.013 0.000 0.196 552 E C 0.158 176.288 176.600 -0.784 0.000 0.990 552 E CA 0.622 56.646 56.400 -0.627 0.000 0.886 552 E CB 0.555 29.721 29.700 -0.892 0.000 0.866 552 E HN 0.309 nan 8.360 nan 0.000 0.493 553 Y N -0.542 119.595 120.300 -0.272 0.000 2.610 553 Y HA 0.250 4.792 4.550 -0.013 0.000 0.254 553 Y C 0.099 175.889 175.900 -0.184 0.000 1.110 553 Y CA -0.521 57.464 58.100 -0.192 0.000 1.238 553 Y CB 0.903 39.251 38.460 -0.187 0.000 1.322 553 Y HN -0.263 nan 8.280 nan 0.000 0.547 554 K N 0.076 120.403 120.400 -0.121 0.000 3.020 554 K HA -0.155 4.157 4.320 -0.013 0.000 0.266 554 K C -0.217 176.142 176.600 -0.401 0.000 1.067 554 K CA 0.908 57.073 56.287 -0.203 0.000 0.780 554 K CB -2.470 29.975 32.500 -0.091 0.000 1.220 554 K HN 0.288 nan 8.250 nan 0.000 0.483 555 V N -1.529 118.179 119.914 -0.344 0.000 2.539 555 V HA 0.509 4.622 4.120 -0.013 0.000 0.292 555 V C 0.315 176.135 176.094 -0.457 0.000 1.045 555 V CA -0.747 61.340 62.300 -0.355 0.000 0.945 555 V CB 1.334 33.065 31.823 -0.153 0.000 0.993 555 V HN 0.246 nan 8.190 nan 0.000 0.464 556 H N 4.928 123.982 119.070 -0.026 0.000 2.481 556 H HA 0.794 5.342 4.556 -0.013 0.000 0.333 556 H C -0.039 175.276 175.328 -0.022 0.000 1.066 556 H CA -0.387 55.650 56.048 -0.017 0.000 1.209 556 H CB 1.489 31.247 29.762 -0.007 0.000 1.445 556 H HN 0.949 nan 8.280 nan 0.000 0.488 557 I N -0.595 120.030 120.570 0.092 0.000 2.828 557 I HA 0.491 4.653 4.170 -0.013 0.000 0.302 557 I C -0.525 175.669 176.117 0.127 0.000 1.101 557 I CA -1.356 59.986 61.300 0.071 0.000 1.031 557 I CB 2.292 40.292 38.000 0.002 0.000 1.231 557 I HN 0.335 nan 8.210 nan 0.000 0.427 558 N N 4.889 123.668 118.700 0.132 0.000 2.401 558 N HA 0.374 5.106 4.740 -0.013 0.000 0.255 558 N C -1.989 173.668 175.510 0.246 0.000 1.110 558 N CA -2.303 50.835 53.050 0.148 0.000 0.949 558 N CB 1.007 39.553 38.487 0.098 0.000 1.110 558 N HN 0.388 nan 8.380 nan 0.000 0.490 559 P HA 0.034 nan 4.420 nan 0.000 0.230 559 P C -0.033 177.262 177.300 -0.008 0.000 1.158 559 P CA 0.998 64.185 63.100 0.144 0.000 0.769 559 P CB 0.218 31.976 31.700 0.097 0.000 0.807 560 N N -1.052 117.675 118.700 0.044 0.000 2.422 560 N HA -0.008 4.724 4.740 -0.013 0.000 0.181 560 N C 0.459 176.002 175.510 0.055 0.000 1.080 560 N CA -0.049 53.016 53.050 0.025 0.000 0.893 560 N CB -0.001 38.511 38.487 0.040 0.000 0.973 560 N HN 0.153 nan 8.380 nan 0.000 0.456 561 S N 0.309 116.058 115.700 0.081 0.000 2.614 561 S HA 0.164 4.627 4.470 -0.013 0.000 0.265 561 S C 0.063 174.640 174.600 -0.038 0.000 1.303 561 S CA -0.876 57.355 58.200 0.052 0.000 1.000 561 S CB 1.058 64.317 63.200 0.098 0.000 0.935 561 S HN 0.181 nan 8.310 nan 0.000 0.551 562 L N 2.194 123.228 121.223 -0.316 0.000 2.418 562 L HA 0.337 4.670 4.340 -0.013 0.000 0.274 562 L C -0.827 176.023 176.870 -0.034 0.000 1.135 562 L CA -0.444 54.034 54.840 -0.603 0.000 0.870 562 L CB -0.270 41.166 42.059 -1.037 0.000 1.154 562 L HN 0.698 nan 8.230 nan 0.000 0.462 563 F N 4.323 124.142 119.950 -0.219 0.000 2.439 563 F HA 0.101 4.620 4.527 -0.012 0.000 0.356 563 F C 0.439 176.173 175.800 -0.110 0.000 1.161 563 F CA -0.778 57.160 58.000 -0.103 0.000 1.151 563 F CB 0.528 39.515 39.000 -0.021 0.000 1.222 563 F HN 0.519 nan 8.300 nan 0.000 0.558 564 D N 4.802 125.199 120.400 -0.004 0.000 2.373 564 D HA 0.332 4.965 4.640 -0.013 0.000 0.227 564 D C -1.055 175.183 176.300 -0.104 0.000 1.091 564 D CA -0.196 53.759 54.000 -0.076 0.000 0.840 564 D CB 1.420 42.157 40.800 -0.104 0.000 1.060 564 D HN 0.115 nan 8.370 nan 0.000 0.502 565 V N 4.532 124.367 119.914 -0.131 0.000 2.531 565 V HA 0.370 4.482 4.120 -0.013 0.000 0.301 565 V C -0.243 175.700 176.094 -0.253 0.000 1.034 565 V CA -0.838 61.371 62.300 -0.151 0.000 0.865 565 V CB 1.704 33.515 31.823 -0.020 0.000 0.995 565 V HN 0.522 nan 8.190 nan 0.000 0.424 566 Q N 3.915 123.580 119.800 -0.225 0.000 2.394 566 Q HA 0.645 4.977 4.340 -0.013 0.000 0.261 566 Q C -1.316 174.511 176.000 -0.288 0.000 1.023 566 Q CA -0.474 55.179 55.803 -0.249 0.000 0.720 566 Q CB 1.892 30.511 28.738 -0.197 0.000 1.241 566 Q HN 0.800 nan 8.270 nan 0.000 0.483 567 V N 1.643 121.372 119.914 -0.309 0.000 2.444 567 V HA 0.866 4.978 4.120 -0.013 0.000 0.294 567 V C -0.934 174.877 176.094 -0.471 0.000 1.022 567 V CA -0.550 61.382 62.300 -0.615 0.000 0.850 567 V CB 1.134 32.344 31.823 -1.022 0.000 0.992 567 V HN 0.829 nan 8.190 nan 0.000 0.426 568 K N 2.517 122.681 120.400 -0.394 0.000 2.960 568 K HA 0.427 4.739 4.320 -0.013 0.000 0.296 568 K C -1.218 175.373 176.600 -0.016 0.000 1.092 568 K CA -1.201 55.037 56.287 -0.082 0.000 0.847 568 K CB 0.824 33.267 32.500 -0.096 0.000 1.458 568 K HN 0.435 nan 8.250 nan 0.000 0.359 569 R N 0.953 121.495 120.500 0.069 0.000 2.698 569 R HA 0.143 4.476 4.340 -0.013 0.000 0.266 569 R C 0.329 176.650 176.300 0.035 0.000 1.026 569 R CA -0.277 55.881 56.100 0.096 0.000 1.102 569 R CB -0.146 30.240 30.300 0.144 0.000 0.978 569 R HN 0.479 nan 8.270 nan 0.000 0.436 570 I N 4.093 124.695 120.570 0.054 0.000 2.452 570 I HA 0.110 4.273 4.170 -0.013 0.000 0.287 570 I C 0.739 176.842 176.117 -0.024 0.000 1.079 570 I CA 0.534 61.821 61.300 -0.023 0.000 1.387 570 I CB -0.286 37.689 38.000 -0.041 0.000 1.404 570 I HN 0.355 nan 8.210 nan 0.000 0.522 571 H N 5.062 124.027 119.070 -0.175 0.000 3.079 571 H HA 0.213 4.761 4.556 -0.013 0.000 0.356 571 H C 0.405 175.614 175.328 -0.198 0.000 1.221 571 H CA -0.373 55.615 56.048 -0.100 0.000 1.185 571 H CB 1.842 31.571 29.762 -0.055 0.000 1.882 571 H HN 0.593 nan 8.280 nan 0.000 0.543 572 E N 1.966 122.218 120.200 0.088 0.000 2.118 572 E HA -0.250 4.093 4.350 -0.013 0.000 0.195 572 E C 1.387 177.819 176.600 -0.280 0.000 0.992 572 E CA 1.936 58.363 56.400 0.046 0.000 0.804 572 E CB -0.083 29.797 29.700 0.301 0.000 0.741 572 E HN 0.587 nan 8.360 nan 0.000 0.458 573 Y N 0.880 120.810 120.300 -0.616 0.000 2.352 573 Y HA -0.040 4.502 4.550 -0.013 0.000 0.292 573 Y C 1.539 177.177 175.900 -0.437 0.000 1.136 573 Y CA 0.908 58.349 58.100 -1.098 0.000 1.227 573 Y CB -0.115 37.685 38.460 -1.100 0.000 0.991 573 Y HN -0.206 nan 8.280 nan 0.000 0.545 574 K N 0.689 120.604 120.400 -0.808 0.000 2.432 574 K HA 0.061 4.373 4.320 -0.013 0.000 0.196 574 K C 0.163 176.584 176.600 -0.299 0.000 1.038 574 K CA 0.532 56.467 56.287 -0.587 0.000 0.986 574 K CB -0.048 32.091 32.500 -0.601 0.000 0.782 574 K HN 0.267 nan 8.250 nan 0.000 0.485 575 R N 0.409 120.769 120.500 -0.234 0.000 3.422 575 R HA -0.234 4.098 4.340 -0.013 0.000 0.267 575 R C 0.338 176.556 176.300 -0.137 0.000 1.074 575 R CA 0.243 56.257 56.100 -0.143 0.000 0.718 575 R CB -1.900 28.332 30.300 -0.113 0.000 1.157 575 R HN 0.303 nan 8.270 nan 0.000 0.440 576 Q N 0.334 120.052 119.800 -0.137 0.000 2.197 576 Q HA -0.115 4.218 4.340 -0.013 0.000 0.207 576 Q C 2.029 177.978 176.000 -0.085 0.000 0.984 576 Q CA 1.696 57.432 55.803 -0.110 0.000 0.869 576 Q CB -0.046 28.631 28.738 -0.102 0.000 0.906 576 Q HN 0.587 nan 8.270 nan 0.000 0.426 577 L N -0.646 120.531 121.223 -0.077 0.000 2.083 577 L HA -0.191 4.141 4.340 -0.013 0.000 0.209 577 L C 2.048 178.916 176.870 -0.004 0.000 1.083 577 L CA 0.567 55.377 54.840 -0.050 0.000 0.752 577 L CB -0.368 41.673 42.059 -0.031 0.000 0.899 577 L HN 0.304 nan 8.230 nan 0.000 0.433 578 L N 0.027 121.239 121.223 -0.018 0.000 2.046 578 L HA -0.242 4.090 4.340 -0.013 0.000 0.208 578 L C 2.040 178.951 176.870 0.069 0.000 1.077 578 L CA 1.909 56.745 54.840 -0.006 0.000 0.747 578 L CB -0.813 41.136 42.059 -0.183 0.000 0.896 578 L HN 0.284 nan 8.230 nan 0.000 0.432 579 N N -1.644 117.066 118.700 0.016 0.000 2.069 579 N HA -0.247 4.485 4.740 -0.013 0.000 0.191 579 N C 1.958 177.545 175.510 0.128 0.000 1.031 579 N CA 1.741 54.880 53.050 0.149 0.000 0.852 579 N CB -0.157 38.349 38.487 0.032 0.000 1.018 579 N HN 0.496 nan 8.380 nan 0.000 0.423 580 C N 0.569 119.880 119.300 0.019 0.000 2.401 580 C HA -0.100 4.353 4.460 -0.013 0.000 0.276 580 C C 2.576 177.555 174.990 -0.019 0.000 1.233 580 C CA 0.447 59.431 59.018 -0.057 0.000 1.753 580 C CB -1.283 26.372 27.740 -0.142 0.000 2.029 580 C HN 0.503 nan 8.230 nan 0.000 0.478 581 L N -0.472 120.802 121.223 0.084 0.000 2.083 581 L HA -0.183 4.150 4.340 -0.013 0.000 0.209 581 L C 2.756 179.781 176.870 0.258 0.000 1.083 581 L CA 1.745 56.681 54.840 0.160 0.000 0.752 581 L CB -1.059 41.151 42.059 0.252 0.000 0.899 581 L HN 0.583 nan 8.230 nan 0.000 0.433 582 H N 0.009 119.190 119.070 0.186 0.000 2.357 582 H HA -0.127 4.422 4.556 -0.013 0.000 0.301 582 H C 2.226 177.547 175.328 -0.013 0.000 1.082 582 H CA 1.795 57.870 56.048 0.045 0.000 1.342 582 H CB 0.359 30.069 29.762 -0.087 0.000 1.389 582 H HN 0.093 nan 8.280 nan 0.000 0.511 583 V N 1.624 121.460 119.914 -0.129 0.000 2.287 583 V HA -0.285 3.827 4.120 -0.013 0.000 0.248 583 V C 2.840 178.867 176.094 -0.113 0.000 1.053 583 V CA 1.971 64.159 62.300 -0.187 0.000 1.027 583 V CB -0.533 31.221 31.823 -0.114 0.000 0.646 583 V HN 0.388 nan 8.190 nan 0.000 0.447 584 I N -0.137 120.402 120.570 -0.053 0.000 2.286 584 I HA -0.233 3.930 4.170 -0.013 0.000 0.248 584 I C 2.524 178.693 176.117 0.087 0.000 1.115 584 I CA 1.771 63.108 61.300 0.061 0.000 1.392 584 I CB -0.809 37.203 38.000 0.020 0.000 1.065 584 I HN 0.330 nan 8.210 nan 0.000 0.418 585 T N 1.358 115.924 114.554 0.021 0.000 2.684 585 T HA -0.183 4.160 4.350 -0.013 0.000 0.267 585 T C 1.883 176.538 174.700 -0.075 0.000 1.036 585 T CA 1.361 63.465 62.100 0.006 0.000 1.148 585 T CB -0.317 68.586 68.868 0.057 0.000 0.863 585 T HN 0.083 nan 8.240 nan 0.000 0.436 586 L N 0.005 121.114 121.223 -0.190 0.000 2.042 586 L HA -0.025 4.307 4.340 -0.013 0.000 0.210 586 L C 2.108 178.937 176.870 -0.068 0.000 1.076 586 L CA 1.561 56.286 54.840 -0.192 0.000 0.749 586 L CB -1.100 40.769 42.059 -0.316 0.000 0.893 586 L HN 0.369 nan 8.230 nan 0.000 0.432 587 Y N 0.277 120.512 120.300 -0.108 0.000 2.145 587 Y HA -0.303 4.239 4.550 -0.013 0.000 0.286 587 Y C 2.458 178.337 175.900 -0.035 0.000 1.145 587 Y CA 1.875 59.951 58.100 -0.040 0.000 1.148 587 Y CB -0.105 38.377 38.460 0.037 0.000 0.981 587 Y HN 0.275 nan 8.280 nan 0.000 0.507 588 N N 0.462 119.112 118.700 -0.083 0.000 2.166 588 N HA -0.153 4.580 4.740 -0.013 0.000 0.186 588 N C 1.826 177.222 175.510 -0.190 0.000 1.019 588 N CA 1.567 54.508 53.050 -0.183 0.000 0.856 588 N CB -0.367 38.076 38.487 -0.073 0.000 0.993 588 N HN 0.444 nan 8.380 nan 0.000 0.426 589 R N 0.316 120.733 120.500 -0.139 0.000 2.092 589 R HA 0.071 4.404 4.340 -0.013 0.000 0.231 589 R C 2.216 178.431 176.300 -0.142 0.000 1.119 589 R CA 0.745 56.772 56.100 -0.122 0.000 0.970 589 R CB -0.251 29.988 30.300 -0.101 0.000 0.864 589 R HN 0.241 nan 8.270 nan 0.000 0.440 590 I N 0.946 121.412 120.570 -0.174 0.000 2.226 590 I HA -0.270 3.892 4.170 -0.013 0.000 0.245 590 I C 2.130 178.129 176.117 -0.196 0.000 1.100 590 I CA 1.217 62.414 61.300 -0.171 0.000 1.374 590 I CB -0.152 37.752 38.000 -0.161 0.000 1.057 590 I HN 0.020 nan 8.210 nan 0.000 0.413 591 K N 0.815 121.034 120.400 -0.301 0.000 2.147 591 K HA -0.188 4.124 4.320 -0.013 0.000 0.205 591 K C 2.026 178.525 176.600 -0.168 0.000 1.049 591 K CA 1.131 57.253 56.287 -0.275 0.000 0.936 591 K CB -0.287 31.967 32.500 -0.410 0.000 0.722 591 K HN 0.321 nan 8.250 nan 0.000 0.446 592 K N 1.096 121.405 120.400 -0.152 0.000 2.103 592 K HA -0.079 4.233 4.320 -0.013 0.000 0.204 592 K C -0.010 176.543 176.600 -0.079 0.000 1.052 592 K CA 1.040 57.265 56.287 -0.104 0.000 0.945 592 K CB 0.348 32.791 32.500 -0.095 0.000 0.722 592 K HN 0.062 nan 8.250 nan 0.000 0.443 593 E N 0.041 120.192 120.200 -0.082 0.000 3.132 593 E HA 0.118 4.460 4.350 -0.013 0.000 0.241 593 E C -2.334 174.230 176.600 -0.059 0.000 1.196 593 E CA -1.556 54.809 56.400 -0.058 0.000 0.869 593 E CB 1.749 31.421 29.700 -0.047 0.000 1.387 593 E HN 0.116 nan 8.360 nan 0.000 0.393 594 P HA -0.102 nan 4.420 nan 0.000 0.219 594 P C 0.264 177.546 177.300 -0.030 0.000 1.150 594 P CA 1.099 64.168 63.100 -0.053 0.000 0.814 594 P CB 0.215 31.888 31.700 -0.045 0.000 0.787 595 N N -1.147 117.544 118.700 -0.015 0.000 2.268 595 N HA 0.014 4.747 4.740 -0.013 0.000 0.204 595 N C 0.547 176.072 175.510 0.025 0.000 1.124 595 N CA -0.095 52.959 53.050 0.006 0.000 0.838 595 N CB 0.105 38.595 38.487 0.005 0.000 0.994 595 N HN -0.008 nan 8.380 nan 0.000 0.489 596 K N 1.292 121.701 120.400 0.015 0.000 2.172 596 K HA 0.132 4.444 4.320 -0.013 0.000 0.276 596 K C -0.931 175.707 176.600 0.063 0.000 1.013 596 K CA -0.557 55.754 56.287 0.041 0.000 0.913 596 K CB 0.630 33.136 32.500 0.009 0.000 1.055 596 K HN -0.049 nan 8.250 nan 0.000 0.461 597 F N 4.918 124.855 119.950 -0.022 0.000 2.495 597 F HA 0.177 4.696 4.527 -0.013 0.000 0.365 597 F C -0.336 175.450 175.800 -0.024 0.000 1.090 597 F CA -0.131 57.857 58.000 -0.020 0.000 1.235 597 F CB 0.581 39.572 39.000 -0.015 0.000 1.119 597 F HN 0.192 nan 8.300 nan 0.000 0.562 598 V N 4.222 123.612 119.914 -0.872 0.000 2.914 598 V HA 0.562 4.674 4.120 -0.013 0.000 0.314 598 V C -0.668 174.787 176.094 -1.064 0.000 1.084 598 V CA -1.231 60.641 62.300 -0.714 0.000 0.963 598 V CB 1.098 32.706 31.823 -0.357 0.000 1.025 598 V HN 0.571 nan 8.190 nan 0.000 0.432 599 V N 4.331 123.908 119.914 -0.561 0.000 2.485 599 V HA 0.206 4.319 4.120 -0.013 0.000 0.287 599 V C -1.892 174.027 176.094 -0.291 0.000 1.022 599 V CA -0.546 61.560 62.300 -0.324 0.000 1.067 599 V CB 0.404 32.170 31.823 -0.094 0.000 0.967 599 V HN 0.899 nan 8.190 nan 0.000 0.479 600 P HA 0.330 nan 4.420 nan 0.000 0.271 600 P C -0.414 176.792 177.300 -0.157 0.000 1.216 600 P CA -0.075 62.928 63.100 -0.162 0.000 0.771 600 P CB 0.541 32.195 31.700 -0.076 0.000 0.864 601 R N 1.271 121.689 120.500 -0.136 0.000 2.686 601 R HA 0.551 4.883 4.340 -0.013 0.000 0.286 601 R C -0.668 175.586 176.300 -0.076 0.000 0.969 601 R CA -0.627 55.395 56.100 -0.129 0.000 0.898 601 R CB 1.902 32.110 30.300 -0.152 0.000 1.183 601 R HN 0.307 nan 8.270 nan 0.000 0.456 602 T N 2.166 116.690 114.554 -0.050 0.000 2.788 602 T HA 0.233 4.575 4.350 -0.013 0.000 0.296 602 T C -0.249 174.359 174.700 -0.152 0.000 1.009 602 T CA -0.470 61.559 62.100 -0.117 0.000 0.949 602 T CB 1.109 69.843 68.868 -0.225 0.000 0.946 602 T HN 0.136 nan 8.240 nan 0.000 0.453 603 V N 6.034 125.867 119.914 -0.134 0.000 2.364 603 V HA 0.402 4.515 4.120 -0.013 0.000 0.272 603 V C 0.097 176.108 176.094 -0.139 0.000 1.036 603 V CA -0.392 61.834 62.300 -0.123 0.000 0.880 603 V CB 0.610 32.375 31.823 -0.096 0.000 0.991 603 V HN 0.853 nan 8.190 nan 0.000 0.460 604 M N 6.794 126.301 119.600 -0.155 0.000 2.227 604 M HA 0.617 5.089 4.480 -0.013 0.000 0.335 604 M C -1.006 175.181 176.300 -0.188 0.000 1.053 604 M CA -0.206 54.993 55.300 -0.169 0.000 0.973 604 M CB 1.954 34.450 32.600 -0.174 0.000 1.623 604 M HN 0.411 nan 8.290 nan 0.000 0.434 605 I N 1.867 122.305 120.570 -0.220 0.000 2.498 605 I HA 0.822 4.984 4.170 -0.013 0.000 0.290 605 I C 0.068 175.843 176.117 -0.570 0.000 1.032 605 I CA -0.659 60.477 61.300 -0.273 0.000 1.073 605 I CB 2.322 40.249 38.000 -0.123 0.000 1.251 605 I HN 0.803 nan 8.210 nan 0.000 0.426 606 G N 2.948 111.379 108.800 -0.615 0.000 2.696 606 G HA2 0.838 4.790 3.960 -0.013 0.000 0.295 606 G HA3 0.838 4.790 3.960 -0.013 0.000 0.295 606 G C -1.010 173.585 174.900 -0.508 0.000 1.398 606 G CA -0.799 43.795 45.100 -0.842 0.000 0.920 606 G HN 0.994 nan 8.290 nan 0.000 0.492 607 G N -0.312 108.339 108.800 -0.249 0.000 2.352 607 G HA2 0.410 4.362 3.960 -0.013 0.000 0.305 607 G HA3 0.410 4.362 3.960 -0.013 0.000 0.305 607 G C -1.288 173.742 174.900 0.217 0.000 1.537 607 G CA -1.047 44.084 45.100 0.052 0.000 0.959 607 G HN 0.608 nan 8.290 nan 0.000 0.668 608 K N -0.061 120.466 120.400 0.211 0.000 2.118 608 K HA 0.736 5.049 4.320 -0.013 0.000 0.267 608 K C 0.298 177.046 176.600 0.248 0.000 0.991 608 K CA -0.169 56.266 56.287 0.246 0.000 0.916 608 K CB 1.990 34.537 32.500 0.078 0.000 1.041 608 K HN 0.851 nan 8.250 nan 0.000 0.455 609 A N 1.516 124.514 122.820 0.296 0.000 2.305 609 A HA 0.618 4.930 4.320 -0.013 0.000 0.322 609 A C -0.379 177.405 177.584 0.332 0.000 1.187 609 A CA -0.722 51.438 52.037 0.206 0.000 0.825 609 A CB 0.934 19.971 19.000 0.061 0.000 1.164 609 A HN 0.784 nan 8.150 nan 0.000 0.498 610 A N 3.621 126.625 122.820 0.308 0.000 2.540 610 A HA 0.450 4.763 4.320 -0.013 0.000 0.239 610 A C -1.408 176.271 177.584 0.159 0.000 1.061 610 A CA -0.724 51.489 52.037 0.294 0.000 0.758 610 A CB -0.352 18.805 19.000 0.262 0.000 0.991 610 A HN 0.598 nan 8.150 nan 0.000 0.502 611 P HA -0.114 nan 4.420 nan 0.000 0.217 611 P C 1.266 178.559 177.300 -0.012 0.000 1.148 611 P CA 1.877 64.919 63.100 -0.096 0.000 0.828 611 P CB 0.205 31.782 31.700 -0.205 0.000 0.783 612 G N -2.852 105.964 108.800 0.026 0.000 3.189 612 G HA2 -0.069 3.884 3.960 -0.013 0.000 0.225 612 G HA3 -0.069 3.884 3.960 -0.013 0.000 0.225 612 G C -0.307 174.625 174.900 0.053 0.000 1.159 612 G CA -0.086 45.028 45.100 0.024 0.000 0.763 612 G HN 0.309 nan 8.290 nan 0.000 0.549 613 Y N 1.394 121.649 120.300 -0.075 0.000 2.804 613 Y HA 0.229 4.771 4.550 -0.013 0.000 0.330 613 Y C 1.574 177.463 175.900 -0.019 0.000 1.092 613 Y CA -1.124 56.913 58.100 -0.105 0.000 1.315 613 Y CB 0.181 38.554 38.460 -0.145 0.000 1.188 613 Y HN 0.308 nan 8.280 nan 0.000 0.512 614 H N 4.025 123.224 119.070 0.214 0.000 2.319 614 H HA -0.221 4.327 4.556 -0.013 0.000 0.299 614 H C 1.766 177.136 175.328 0.071 0.000 1.092 614 H CA 2.379 58.495 56.048 0.113 0.000 1.302 614 H CB 0.393 30.210 29.762 0.092 0.000 1.373 614 H HN 0.726 nan 8.280 nan 0.000 0.497 615 M N 0.957 120.571 119.600 0.023 0.000 2.159 615 M HA -0.050 4.423 4.480 -0.013 0.000 0.263 615 M C 2.523 178.602 176.300 -0.369 0.000 1.063 615 M CA 1.774 56.994 55.300 -0.133 0.000 1.110 615 M CB -0.635 32.023 32.600 0.096 0.000 1.374 615 M HN 0.330 nan 8.290 nan 0.000 0.411 616 A N -0.361 122.001 122.820 -0.764 0.000 1.933 616 A HA -0.176 4.136 4.320 -0.013 0.000 0.218 616 A C 2.189 179.576 177.584 -0.328 0.000 1.175 616 A CA 1.768 53.375 52.037 -0.716 0.000 0.628 616 A CB -0.622 17.713 19.000 -1.108 0.000 0.814 616 A HN 0.577 nan 8.150 nan 0.000 0.444 617 K N -1.107 119.155 120.400 -0.230 0.000 2.097 617 K HA -0.055 4.258 4.320 -0.013 0.000 0.205 617 K C 1.949 178.506 176.600 -0.071 0.000 1.050 617 K CA 1.267 57.506 56.287 -0.080 0.000 0.938 617 K CB -0.222 32.289 32.500 0.019 0.000 0.718 617 K HN 0.338 nan 8.250 nan 0.000 0.442 618 M N 0.575 120.084 119.600 -0.152 0.000 2.175 618 M HA -0.095 4.377 4.480 -0.013 0.000 0.264 618 M C 2.133 178.375 176.300 -0.097 0.000 1.063 618 M CA 1.422 56.669 55.300 -0.089 0.000 1.119 618 M CB -0.665 31.859 32.600 -0.127 0.000 1.377 618 M HN 0.126 nan 8.290 nan 0.000 0.415 619 I N -0.148 120.328 120.570 -0.157 0.000 2.226 619 I HA -0.309 3.853 4.170 -0.013 0.000 0.245 619 I C 2.298 178.297 176.117 -0.196 0.000 1.100 619 I CA 1.066 62.263 61.300 -0.170 0.000 1.374 619 I CB -0.317 37.580 38.000 -0.171 0.000 1.057 619 I HN 0.176 nan 8.210 nan 0.000 0.413 620 I N 0.646 121.085 120.570 -0.217 0.000 2.163 620 I HA -0.325 3.838 4.170 -0.013 0.000 0.243 620 I C 2.614 178.463 176.117 -0.447 0.000 1.085 620 I CA 1.349 62.431 61.300 -0.364 0.000 1.347 620 I CB -0.354 37.414 38.000 -0.387 0.000 1.044 620 I HN 0.162 nan 8.210 nan 0.000 0.408 621 K N 1.498 121.648 120.400 -0.417 0.000 2.063 621 K HA -0.162 4.151 4.320 -0.013 0.000 0.208 621 K C 2.049 178.493 176.600 -0.259 0.000 1.048 621 K CA 1.496 57.456 56.287 -0.546 0.000 0.928 621 K CB -0.573 31.328 32.500 -0.998 0.000 0.713 621 K HN 0.235 nan 8.250 nan 0.000 0.442 622 L N 0.364 121.466 121.223 -0.200 0.000 2.012 622 L HA -0.184 4.148 4.340 -0.013 0.000 0.210 622 L C 2.196 178.831 176.870 -0.391 0.000 1.073 622 L CA 1.763 56.312 54.840 -0.485 0.000 0.748 622 L CB -0.301 41.387 42.059 -0.618 0.000 0.891 622 L HN 0.278 nan 8.230 nan 0.000 0.431 623 I N -0.228 120.167 120.570 -0.291 0.000 2.163 623 I HA -0.336 3.826 4.170 -0.013 0.000 0.243 623 I C 2.629 178.641 176.117 -0.175 0.000 1.085 623 I CA 1.946 63.127 61.300 -0.198 0.000 1.347 623 I CB -0.557 37.413 38.000 -0.050 0.000 1.044 623 I HN 0.430 nan 8.210 nan 0.000 0.408 624 T N -0.857 113.564 114.554 -0.221 0.000 2.821 624 T HA -0.071 4.271 4.350 -0.013 0.000 0.267 624 T C 1.992 176.624 174.700 -0.114 0.000 1.046 624 T CA 0.925 62.923 62.100 -0.170 0.000 1.139 624 T CB -0.509 68.210 68.868 -0.248 0.000 0.871 624 T HN 0.337 nan 8.240 nan 0.000 0.454 625 A N 1.465 124.215 122.820 -0.117 0.000 1.933 625 A HA 0.133 4.445 4.320 -0.013 0.000 0.218 625 A C 2.369 179.966 177.584 0.022 0.000 1.175 625 A CA 1.286 53.324 52.037 0.001 0.000 0.628 625 A CB -0.817 18.277 19.000 0.157 0.000 0.814 625 A HN 0.594 nan 8.150 nan 0.000 0.444 626 I N -0.372 120.103 120.570 -0.158 0.000 2.202 626 I HA -0.176 3.987 4.170 -0.013 0.000 0.242 626 I C 2.726 178.796 176.117 -0.078 0.000 1.091 626 I CA 1.092 62.274 61.300 -0.198 0.000 1.368 626 I CB -0.630 37.127 38.000 -0.405 0.000 1.058 626 I HN 0.382 nan 8.210 nan 0.000 0.410 627 G N 0.463 109.212 108.800 -0.085 0.000 2.440 627 G HA2 -0.273 3.680 3.960 -0.013 0.000 0.218 627 G HA3 -0.273 3.680 3.960 -0.013 0.000 0.218 627 G C 1.275 176.163 174.900 -0.020 0.000 1.154 627 G CA 1.057 46.118 45.100 -0.065 0.000 0.767 627 G HN 0.281 nan 8.290 nan 0.000 0.552 628 D N -0.011 120.416 120.400 0.045 0.000 2.149 628 D HA -0.087 4.545 4.640 -0.013 0.000 0.198 628 D C 2.715 179.128 176.300 0.190 0.000 0.990 628 D CA 0.756 54.851 54.000 0.158 0.000 0.839 628 D CB -0.223 40.629 40.800 0.087 0.000 0.948 628 D HN 0.248 nan 8.370 nan 0.000 0.460 629 V N 0.176 120.131 119.914 0.068 0.000 2.302 629 V HA -0.139 3.974 4.120 -0.013 0.000 0.243 629 V C 2.605 178.649 176.094 -0.082 0.000 1.036 629 V CA 0.778 63.064 62.300 -0.024 0.000 1.020 629 V CB -0.278 31.493 31.823 -0.086 0.000 0.657 629 V HN 0.026 nan 8.190 nan 0.000 0.453 630 V N 0.938 120.749 119.914 -0.173 0.000 2.343 630 V HA -0.204 3.909 4.120 -0.013 0.000 0.247 630 V C 2.159 178.208 176.094 -0.075 0.000 1.051 630 V CA 2.023 64.211 62.300 -0.187 0.000 1.036 630 V CB -0.855 30.856 31.823 -0.187 0.000 0.654 630 V HN 0.563 nan 8.190 nan 0.000 0.451 631 N N -0.401 118.204 118.700 -0.159 0.000 2.512 631 N HA -0.080 4.652 4.740 -0.013 0.000 0.183 631 N C 1.303 176.569 175.510 -0.407 0.000 1.073 631 N CA 0.934 53.805 53.050 -0.298 0.000 0.911 631 N CB -0.246 37.989 38.487 -0.419 0.000 0.964 631 N HN 0.688 nan 8.380 nan 0.000 0.447 632 H N -1.524 117.551 119.070 0.007 0.000 2.893 632 H HA 0.195 4.743 4.556 -0.013 0.000 0.270 632 H C -0.426 174.917 175.328 0.025 0.000 1.095 632 H CA -0.472 55.582 56.048 0.010 0.000 1.186 632 H CB 0.635 30.394 29.762 -0.005 0.000 1.562 632 H HN -0.018 nan 8.280 nan 0.000 0.536 633 D N 1.865 122.341 120.400 0.127 0.000 2.325 633 D HA 0.023 4.655 4.640 -0.013 0.000 0.251 633 D C -1.601 174.758 176.300 0.098 0.000 1.196 633 D CA -1.991 52.096 54.000 0.143 0.000 0.866 633 D CB 1.566 42.527 40.800 0.268 0.000 1.101 633 D HN 0.117 nan 8.370 nan 0.000 0.476 634 P HA -0.111 nan 4.420 nan 0.000 0.218 634 P C 1.574 178.895 177.300 0.034 0.000 1.149 634 P CA 0.324 63.451 63.100 0.046 0.000 0.817 634 P CB 0.431 32.153 31.700 0.036 0.000 0.785 635 V N -0.583 119.353 119.914 0.037 0.000 2.515 635 V HA -0.167 3.945 4.120 -0.013 0.000 0.250 635 V C 2.433 178.532 176.094 0.008 0.000 1.058 635 V CA 1.498 63.806 62.300 0.013 0.000 1.064 635 V CB -0.954 30.866 31.823 -0.004 0.000 0.675 635 V HN -0.021 nan 8.190 nan 0.000 0.461 636 V N -0.211 119.726 119.914 0.037 0.000 2.307 636 V HA 0.091 4.203 4.120 -0.013 0.000 0.245 636 V C 1.798 177.899 176.094 0.011 0.000 1.045 636 V CA 1.623 63.944 62.300 0.035 0.000 1.024 636 V CB -1.290 30.601 31.823 0.113 0.000 0.651 636 V HN 0.735 nan 8.190 nan 0.000 0.449 637 G N 1.540 110.350 108.800 0.017 0.000 2.550 637 G HA2 -0.361 3.591 3.960 -0.013 0.000 0.277 637 G HA3 -0.361 3.591 3.960 -0.013 0.000 0.277 637 G C 0.333 175.231 174.900 -0.003 0.000 1.190 637 G CA 0.410 45.514 45.100 0.006 0.000 0.971 637 G HN 0.661 nan 8.290 nan 0.000 0.559 638 D N 0.562 120.960 120.400 -0.004 0.000 2.336 638 D HA 0.133 4.765 4.640 -0.013 0.000 0.228 638 D C 1.870 178.159 176.300 -0.018 0.000 1.120 638 D CA 0.183 54.181 54.000 -0.004 0.000 0.839 638 D CB -0.118 40.689 40.800 0.012 0.000 0.932 638 D HN 0.602 nan 8.370 nan 0.000 0.509 639 R N -0.710 119.768 120.500 -0.036 0.000 2.161 639 R HA 0.209 4.541 4.340 -0.013 0.000 0.213 639 R C -0.015 176.236 176.300 -0.081 0.000 1.055 639 R CA 0.215 56.269 56.100 -0.077 0.000 0.996 639 R CB 0.343 30.581 30.300 -0.104 0.000 0.901 639 R HN 0.100 nan 8.270 nan 0.000 0.456 640 L N 0.690 121.884 121.223 -0.050 0.000 2.562 640 L HA 0.368 4.700 4.340 -0.013 0.000 0.266 640 L C -1.576 175.267 176.870 -0.045 0.000 0.949 640 L CA -0.445 54.364 54.840 -0.051 0.000 0.879 640 L CB 1.769 43.809 42.059 -0.032 0.000 1.278 640 L HN -0.179 nan 8.230 nan 0.000 0.404 641 R N 3.866 124.327 120.500 -0.064 0.000 2.621 641 R HA 0.783 5.115 4.340 -0.013 0.000 0.292 641 R C -1.581 174.663 176.300 -0.094 0.000 0.969 641 R CA -0.797 55.256 56.100 -0.077 0.000 0.887 641 R CB 2.439 32.696 30.300 -0.072 0.000 1.180 641 R HN 0.415 nan 8.270 nan 0.000 0.450 642 V N 5.009 124.865 119.914 -0.096 0.000 2.378 642 V HA 0.491 4.604 4.120 -0.013 0.000 0.288 642 V C -0.281 175.766 176.094 -0.079 0.000 1.016 642 V CA -0.729 61.515 62.300 -0.093 0.000 0.840 642 V CB 1.578 33.344 31.823 -0.095 0.000 0.994 642 V HN 0.541 nan 8.190 nan 0.000 0.431 643 I N 4.946 125.468 120.570 -0.080 0.000 2.465 643 I HA 0.429 4.591 4.170 -0.013 0.000 0.291 643 I C -0.650 175.447 176.117 -0.033 0.000 1.014 643 I CA -0.315 60.947 61.300 -0.063 0.000 1.093 643 I CB 1.919 39.855 38.000 -0.106 0.000 1.267 643 I HN 0.541 nan 8.210 nan 0.000 0.431 644 F N 7.008 126.884 119.950 -0.122 0.000 2.404 644 F HA 0.461 4.981 4.527 -0.012 0.000 0.358 644 F C -0.488 175.237 175.800 -0.125 0.000 1.120 644 F CA -0.619 57.312 58.000 -0.114 0.000 1.144 644 F CB 0.599 39.537 39.000 -0.103 0.000 1.133 644 F HN 0.172 nan 8.300 nan 0.000 0.495 645 L N 6.079 126.941 121.223 -0.602 0.000 2.407 645 L HA 0.160 4.492 4.340 -0.013 0.000 0.282 645 L C 0.245 176.881 176.870 -0.390 0.000 1.110 645 L CA 0.097 54.695 54.840 -0.403 0.000 0.863 645 L CB 0.162 42.064 42.059 -0.262 0.000 1.207 645 L HN 0.605 nan 8.230 nan 0.000 0.454 646 E N 3.309 123.409 120.200 -0.167 0.000 2.373 646 E HA 0.010 4.352 4.350 -0.013 0.000 0.267 646 E C 0.493 177.166 176.600 0.122 0.000 1.032 646 E CA -0.161 56.285 56.400 0.077 0.000 0.889 646 E CB 0.300 30.037 29.700 0.060 0.000 0.984 646 E HN 0.531 nan 8.360 nan 0.000 0.425 647 N N 2.618 121.442 118.700 0.206 0.000 2.738 647 N HA -0.278 4.454 4.740 -0.013 0.000 0.249 647 N C -1.558 174.051 175.510 0.165 0.000 1.047 647 N CA 0.486 53.650 53.050 0.190 0.000 0.707 647 N CB -1.598 37.015 38.487 0.210 0.000 0.937 647 N HN 0.488 nan 8.380 nan 0.000 0.545 648 Y N 1.586 121.897 120.300 0.019 0.000 2.717 648 Y HA 0.154 4.696 4.550 -0.013 0.000 0.330 648 Y C 1.161 177.081 175.900 0.033 0.000 1.217 648 Y CA 0.779 58.878 58.100 -0.002 0.000 1.506 648 Y CB 0.312 38.735 38.460 -0.062 0.000 1.268 648 Y HN 0.380 nan 8.280 nan 0.000 0.561 649 R N 2.368 122.515 120.500 -0.588 0.000 2.756 649 R HA 0.406 4.738 4.340 -0.013 0.000 0.273 649 R C -0.589 175.387 176.300 -0.541 0.000 1.030 649 R CA -0.584 55.275 56.100 -0.401 0.000 0.887 649 R CB 0.283 30.550 30.300 -0.055 0.000 1.274 649 R HN 0.357 nan 8.270 nan 0.000 0.461 650 V N 1.134 120.768 119.914 -0.467 0.000 2.287 650 V HA -0.290 3.822 4.120 -0.013 0.000 0.248 650 V C 2.597 178.574 176.094 -0.195 0.000 1.053 650 V CA 2.853 64.932 62.300 -0.368 0.000 1.027 650 V CB -0.798 30.762 31.823 -0.438 0.000 0.646 650 V HN 0.920 nan 8.190 nan 0.000 0.447 651 S N 0.042 115.653 115.700 -0.149 0.000 2.399 651 S HA -0.185 4.277 4.470 -0.013 0.000 0.231 651 S C 1.929 176.484 174.600 -0.074 0.000 1.022 651 S CA 1.698 59.836 58.200 -0.103 0.000 0.983 651 S CB -0.527 62.639 63.200 -0.055 0.000 0.803 651 S HN 0.398 nan 8.310 nan 0.000 0.480 652 L N 1.953 123.144 121.223 -0.053 0.000 2.109 652 L HA 0.328 4.660 4.340 -0.013 0.000 0.207 652 L C 2.689 179.592 176.870 0.055 0.000 1.086 652 L CA 1.370 56.233 54.840 0.038 0.000 0.760 652 L CB -1.287 40.858 42.059 0.145 0.000 0.910 652 L HN 0.347 nan 8.230 nan 0.000 0.437 653 A N -0.593 122.227 122.820 -0.001 0.000 1.908 653 A HA -0.258 4.054 4.320 -0.013 0.000 0.218 653 A C 2.135 179.784 177.584 0.108 0.000 1.181 653 A CA 1.957 54.067 52.037 0.121 0.000 0.627 653 A CB -0.656 18.391 19.000 0.079 0.000 0.818 653 A HN 0.604 nan 8.150 nan 0.000 0.445 654 E N -0.507 119.738 120.200 0.076 0.000 2.265 654 E HA -0.167 4.176 4.350 -0.013 0.000 0.196 654 E C 1.914 178.485 176.600 -0.049 0.000 0.996 654 E CA 1.205 57.604 56.400 -0.002 0.000 0.832 654 E CB -0.057 29.551 29.700 -0.153 0.000 0.756 654 E HN 0.631 nan 8.360 nan 0.000 0.491 655 K N 0.022 120.383 120.400 -0.066 0.000 2.141 655 K HA 0.020 4.333 4.320 -0.013 0.000 0.202 655 K C 2.149 178.608 176.600 -0.235 0.000 1.045 655 K CA 0.471 56.714 56.287 -0.075 0.000 0.971 655 K CB 0.030 32.498 32.500 -0.052 0.000 0.795 655 K HN -0.043 nan 8.250 nan 0.000 0.459 656 V N 1.743 121.433 119.914 -0.374 0.000 2.488 656 V HA -0.108 4.004 4.120 -0.013 0.000 0.246 656 V C 1.874 177.730 176.094 -0.397 0.000 1.046 656 V CA 1.122 62.971 62.300 -0.752 0.000 1.053 656 V CB -0.139 31.331 31.823 -0.587 0.000 0.679 656 V HN 0.236 nan 8.190 nan 0.000 0.458 657 I N 0.802 121.185 120.570 -0.311 0.000 2.179 657 I HA -0.134 4.028 4.170 -0.013 0.000 0.242 657 I C -0.222 175.764 176.117 -0.219 0.000 1.088 657 I CA 1.700 62.730 61.300 -0.449 0.000 1.357 657 I CB -1.519 36.090 38.000 -0.651 0.000 1.051 657 I HN 0.362 nan 8.210 nan 0.000 0.409 658 P HA -0.135 nan 4.420 nan 0.000 0.221 658 P C 1.025 178.317 177.300 -0.013 0.000 1.145 658 P CA 1.341 64.413 63.100 -0.047 0.000 0.795 658 P CB 0.001 31.685 31.700 -0.028 0.000 0.775 659 A N -1.077 121.721 122.820 -0.038 0.000 2.218 659 A HA 0.425 4.738 4.320 -0.013 0.000 0.209 659 A C 1.237 178.917 177.584 0.161 0.000 1.168 659 A CA 0.224 52.292 52.037 0.053 0.000 0.804 659 A CB -0.736 18.301 19.000 0.062 0.000 0.834 659 A HN 0.210 nan 8.150 nan 0.000 0.482 660 A N 0.017 122.933 122.820 0.159 0.000 2.388 660 A HA 0.449 4.761 4.320 -0.013 0.000 0.257 660 A C 0.378 178.115 177.584 0.255 0.000 1.095 660 A CA -0.124 52.077 52.037 0.273 0.000 0.791 660 A CB 0.314 19.575 19.000 0.434 0.000 1.029 660 A HN 0.291 nan 8.150 nan 0.000 0.489 661 D N 0.545 121.097 120.400 0.254 0.000 2.323 661 D HA 0.115 4.748 4.640 -0.013 0.000 0.218 661 D C 0.055 176.576 176.300 0.370 0.000 0.973 661 D CA 0.785 54.985 54.000 0.334 0.000 0.890 661 D CB 0.293 41.208 40.800 0.191 0.000 1.011 661 D HN 0.367 nan 8.370 nan 0.000 0.499 662 L N 1.039 122.362 121.223 0.166 0.000 2.381 662 L HA 0.285 4.617 4.340 -0.013 0.000 0.274 662 L C -0.884 175.877 176.870 -0.181 0.000 0.988 662 L CA -0.300 54.559 54.840 0.033 0.000 0.824 662 L CB 2.140 44.187 42.059 -0.021 0.000 1.263 662 L HN -0.191 nan 8.230 nan 0.000 0.410 663 S N 4.210 119.715 115.700 -0.325 0.000 2.429 663 S HA 0.336 4.799 4.470 -0.013 0.000 0.302 663 S C -0.418 173.903 174.600 -0.466 0.000 1.115 663 S CA -0.660 57.104 58.200 -0.727 0.000 1.095 663 S CB 0.665 63.378 63.200 -0.812 0.000 0.987 663 S HN 0.551 nan 8.310 nan 0.000 0.474 664 E N 4.122 124.055 120.200 -0.445 0.000 2.089 664 E HA 0.214 4.556 4.350 -0.013 0.000 0.284 664 E C -0.567 175.908 176.600 -0.208 0.000 1.023 664 E CA -0.416 55.847 56.400 -0.229 0.000 0.819 664 E CB 1.015 30.613 29.700 -0.171 0.000 1.076 664 E HN 0.598 nan 8.360 nan 0.000 0.396 665 Q N 2.822 122.557 119.800 -0.110 0.000 2.907 665 Q HA 0.274 4.607 4.340 -0.013 0.000 0.262 665 Q C 0.601 176.584 176.000 -0.028 0.000 0.997 665 Q CA -0.134 55.620 55.803 -0.082 0.000 0.797 665 Q CB 0.276 28.977 28.738 -0.061 0.000 1.228 665 Q HN 0.617 nan 8.270 nan 0.000 0.466 666 I N -1.831 118.706 120.570 -0.054 0.000 3.707 666 I HA 0.267 4.430 4.170 -0.013 0.000 0.330 666 I C 0.435 176.501 176.117 -0.086 0.000 1.572 666 I CA -0.684 60.601 61.300 -0.025 0.000 1.104 666 I CB 0.558 38.547 38.000 -0.019 0.000 1.240 666 I HN 0.012 nan 8.210 nan 0.000 0.475 667 S N 0.478 116.124 115.700 -0.090 0.000 2.573 667 S HA 0.168 4.630 4.470 -0.013 0.000 0.277 667 S C 0.575 175.155 174.600 -0.033 0.000 1.346 667 S CA -0.230 57.935 58.200 -0.059 0.000 1.034 667 S CB 0.227 63.438 63.200 0.018 0.000 0.879 667 S HN 0.375 nan 8.310 nan 0.000 0.528 668 T N 2.713 117.282 114.554 0.025 0.000 2.902 668 T HA 0.388 4.730 4.350 -0.013 0.000 0.301 668 T C 0.752 175.467 174.700 0.026 0.000 1.012 668 T CA 0.239 62.364 62.100 0.043 0.000 1.151 668 T CB 0.018 68.984 68.868 0.164 0.000 0.946 668 T HN 1.016 nan 8.240 nan 0.000 0.542 669 A N 2.763 125.567 122.820 -0.026 0.000 2.580 669 A HA 0.440 4.753 4.320 -0.013 0.000 0.244 669 A C 1.630 179.213 177.584 -0.001 0.000 1.045 669 A CA 0.313 52.331 52.037 -0.031 0.000 0.761 669 A CB -0.938 18.031 19.000 -0.053 0.000 0.962 669 A HN 1.734 nan 8.150 nan 0.000 0.512 670 G N 1.461 110.260 108.800 -0.001 0.000 2.159 670 G HA2 -0.219 3.734 3.960 -0.013 0.000 0.227 670 G HA3 -0.219 3.734 3.960 -0.013 0.000 0.227 670 G C 0.792 175.692 174.900 -0.001 0.000 0.986 670 G CA 1.095 46.197 45.100 0.004 0.000 0.651 670 G HN 2.011 nan 8.290 nan 0.000 0.523 671 T N -2.731 111.820 114.554 -0.004 0.000 3.026 671 T HA 0.411 4.754 4.350 -0.013 0.000 0.245 671 T C 0.712 175.280 174.700 -0.220 0.000 1.004 671 T CA 1.000 63.039 62.100 -0.102 0.000 1.069 671 T CB 0.575 69.437 68.868 -0.009 0.000 1.005 671 T HN 0.257 nan 8.240 nan 0.000 0.472 672 E N 1.605 121.807 120.200 0.002 0.000 2.052 672 E HA 0.664 5.007 4.350 -0.013 0.000 0.283 672 E C 1.163 177.728 176.600 -0.058 0.000 1.071 672 E CA 0.092 56.531 56.400 0.065 0.000 0.851 672 E CB 0.798 30.583 29.700 0.142 0.000 1.066 672 E HN 0.367 nan 8.360 nan 0.000 0.396 673 A N 3.408 126.124 122.820 -0.173 0.000 1.892 673 A HA -0.219 4.093 4.320 -0.013 0.000 0.218 673 A C 2.006 179.471 177.584 -0.199 0.000 1.188 673 A CA 2.274 54.086 52.037 -0.375 0.000 0.631 673 A CB -0.295 18.256 19.000 -0.749 0.000 0.822 673 A HN 0.600 nan 8.150 nan 0.000 0.447 674 S N -3.724 111.914 115.700 -0.104 0.000 3.624 674 S HA 0.451 4.913 4.470 -0.013 0.000 0.244 674 S C 0.758 175.347 174.600 -0.018 0.000 1.115 674 S CA 1.464 59.646 58.200 -0.029 0.000 0.820 674 S CB -0.132 63.072 63.200 0.007 0.000 0.964 674 S HN 2.257 nan 8.310 nan 0.000 0.508 675 G N 0.394 109.187 108.800 -0.010 0.000 2.722 675 G HA2 -0.086 3.866 3.960 -0.013 0.000 0.686 675 G HA3 -0.086 3.866 3.960 -0.013 0.000 0.686 675 G C 0.263 175.142 174.900 -0.036 0.000 1.282 675 G CA 0.451 45.540 45.100 -0.017 0.000 0.817 675 G HN 1.283 nan 8.290 nan 0.000 0.605 676 T N -1.786 112.732 114.554 -0.059 0.000 3.010 676 T HA 0.378 4.720 4.350 -0.013 0.000 0.253 676 T C 2.422 177.021 174.700 -0.168 0.000 0.939 676 T CA 1.265 63.301 62.100 -0.105 0.000 0.910 676 T CB 0.182 68.980 68.868 -0.116 0.000 1.226 676 T HN 1.914 nan 8.240 nan 0.000 0.508 677 G N 3.273 112.000 108.800 -0.122 0.000 2.469 677 G HA2 -0.319 3.634 3.960 -0.013 0.000 0.219 677 G HA3 -0.319 3.634 3.960 -0.013 0.000 0.219 677 G C 1.470 176.423 174.900 0.088 0.000 1.150 677 G CA 1.319 46.378 45.100 -0.068 0.000 0.763 677 G HN 0.843 nan 8.290 nan 0.000 0.561 678 N N -0.061 118.663 118.700 0.041 0.000 2.091 678 N HA -0.129 4.603 4.740 -0.013 0.000 0.193 678 N C 1.456 176.964 175.510 -0.004 0.000 1.021 678 N CA 0.756 53.825 53.050 0.032 0.000 0.862 678 N CB -0.358 38.106 38.487 -0.038 0.000 1.018 678 N HN 0.351 nan 8.380 nan 0.000 0.429 682 M N 0.255 119.940 119.600 0.141 0.000 2.117 682 M HA -0.149 4.323 4.480 -0.013 0.000 0.262 682 M C 1.984 178.337 176.300 0.089 0.000 1.065 682 M CA 1.770 57.126 55.300 0.094 0.000 1.114 682 M CB -0.055 32.589 32.600 0.073 0.000 1.361 682 M HN 0.315 nan 8.290 nan 0.000 0.408 683 L N 0.739 122.010 121.223 0.080 0.000 2.201 683 L HA -0.091 4.241 4.340 -0.013 0.000 0.212 683 L C 1.312 178.225 176.870 0.072 0.000 1.105 683 L CA 1.646 56.539 54.840 0.089 0.000 0.775 683 L CB -0.604 41.516 42.059 0.102 0.000 0.913 683 L HN 0.344 nan 8.230 nan 0.000 0.440 684 N N -0.321 118.412 118.700 0.055 0.000 2.251 684 N HA 0.173 4.905 4.740 -0.013 0.000 0.217 684 N C 0.801 176.345 175.510 0.058 0.000 1.124 684 N CA 0.773 53.848 53.050 0.042 0.000 0.843 684 N CB 0.561 39.048 38.487 0.000 0.000 1.024 684 N HN 0.390 nan 8.380 nan 0.000 0.501 685 G N 0.656 109.497 108.800 0.069 0.000 2.149 685 G HA2 -0.205 3.747 3.960 -0.013 0.000 0.235 685 G HA3 -0.205 3.747 3.960 -0.013 0.000 0.235 685 G C -0.012 174.959 174.900 0.118 0.000 1.018 685 G CA 0.152 45.294 45.100 0.070 0.000 0.728 685 G HN 0.511 nan 8.290 nan 0.000 0.508 686 A N -0.303 122.601 122.820 0.139 0.000 2.312 686 A HA 0.876 5.188 4.320 -0.013 0.000 0.328 686 A C 0.473 178.077 177.584 0.034 0.000 1.158 686 A CA -0.621 51.518 52.037 0.170 0.000 0.821 686 A CB 0.982 20.146 19.000 0.273 0.000 1.170 686 A HN 0.716 nan 8.150 nan 0.000 0.490 687 L N 0.801 122.005 121.223 -0.032 0.000 2.421 687 L HA 0.444 4.776 4.340 -0.013 0.000 0.263 687 L C 0.215 176.981 176.870 -0.172 0.000 1.122 687 L CA -0.303 54.432 54.840 -0.175 0.000 0.804 687 L CB 1.393 43.254 42.059 -0.330 0.000 1.150 687 L HN 0.681 nan 8.230 nan 0.000 0.457 688 T N 2.559 116.901 114.554 -0.354 0.000 2.792 688 T HA 0.446 4.789 4.350 -0.013 0.000 0.280 688 T C -0.412 174.080 174.700 -0.348 0.000 0.990 688 T CA -0.270 61.540 62.100 -0.484 0.000 0.960 688 T CB 1.500 69.854 68.868 -0.857 0.000 0.939 688 T HN 0.347 nan 8.240 nan 0.000 0.439 689 I N 3.116 123.600 120.570 -0.143 0.000 2.321 689 I HA 0.701 4.863 4.170 -0.013 0.000 0.291 689 I C 0.113 176.344 176.117 0.190 0.000 0.998 689 I CA 0.103 61.444 61.300 0.069 0.000 1.227 689 I CB 0.273 38.273 38.000 -0.001 0.000 1.368 689 I HN 0.774 nan 8.210 nan 0.000 0.466 690 G N 4.037 113.040 108.800 0.338 0.000 2.673 690 G HA2 0.455 4.407 3.960 -0.013 0.000 0.292 690 G HA3 0.455 4.407 3.960 -0.013 0.000 0.292 690 G C -0.883 173.974 174.900 -0.072 0.000 1.450 690 G CA -0.487 44.740 45.100 0.212 0.000 0.837 690 G HN 0.579 nan 8.290 nan 0.000 0.505 691 T N -1.017 113.352 114.554 -0.309 0.000 2.849 691 T HA 0.479 4.821 4.350 -0.013 0.000 0.284 691 T C 0.793 175.393 174.700 -0.167 0.000 1.004 691 T CA -0.685 61.157 62.100 -0.431 0.000 1.021 691 T CB 1.091 69.714 68.868 -0.409 0.000 1.013 691 T HN 0.257 nan 8.240 nan 0.000 0.527 692 M N 2.897 122.403 119.600 -0.156 0.000 3.442 692 M HA 0.308 4.780 4.480 -0.013 0.000 0.232 692 M C -0.405 175.847 176.300 -0.080 0.000 1.508 692 M CA -0.033 55.207 55.300 -0.100 0.000 1.647 692 M CB -1.818 30.729 32.600 -0.089 0.000 1.126 692 M HN 0.728 nan 8.290 nan 0.000 0.557 693 D N -0.060 120.301 120.400 -0.066 0.000 2.671 693 D HA 0.667 5.300 4.640 -0.013 0.000 0.232 693 D C 0.737 177.020 176.300 -0.027 0.000 1.114 693 D CA 0.713 54.688 54.000 -0.041 0.000 0.858 693 D CB 1.727 42.504 40.800 -0.038 0.000 1.544 693 D HN 0.594 nan 8.370 nan 0.000 0.471 694 G N 1.881 110.673 108.800 -0.012 0.000 2.652 694 G HA2 -0.272 3.681 3.960 -0.013 0.000 0.318 694 G HA3 -0.272 3.681 3.960 -0.013 0.000 0.318 694 G C 1.058 175.954 174.900 -0.007 0.000 1.295 694 G CA 1.179 46.275 45.100 -0.005 0.000 0.999 694 G HN 1.070 nan 8.290 nan 0.000 0.548 695 A N -0.277 122.534 122.820 -0.015 0.000 2.168 695 A HA 0.095 4.407 4.320 -0.013 0.000 0.215 695 A C 2.111 179.637 177.584 -0.097 0.000 1.152 695 A CA 1.831 53.853 52.037 -0.025 0.000 0.716 695 A CB -0.451 18.523 19.000 -0.044 0.000 0.794 695 A HN 0.623 nan 8.150 nan 0.000 0.465 696 N N 0.583 119.236 118.700 -0.079 0.000 2.137 696 N HA -0.158 4.574 4.740 -0.013 0.000 0.190 696 N C 1.597 176.966 175.510 -0.234 0.000 1.017 696 N CA 1.619 54.616 53.050 -0.088 0.000 0.859 696 N CB -0.659 37.840 38.487 0.019 0.000 1.002 696 N HN 0.291 nan 8.380 nan 0.000 0.428 697 V N 1.298 121.125 119.914 -0.145 0.000 2.287 697 V HA -0.222 3.890 4.120 -0.013 0.000 0.248 697 V C 1.989 178.003 176.094 -0.133 0.000 1.053 697 V CA 1.731 63.943 62.300 -0.147 0.000 1.027 697 V CB -0.499 31.279 31.823 -0.075 0.000 0.646 697 V HN 0.356 nan 8.190 nan 0.000 0.447 698 E N -0.644 119.537 120.200 -0.031 0.000 2.152 698 E HA -0.128 4.214 4.350 -0.013 0.000 0.192 698 E C 2.218 178.931 176.600 0.188 0.000 0.983 698 E CA 1.016 57.474 56.400 0.097 0.000 0.818 698 E CB -0.189 29.650 29.700 0.232 0.000 0.758 698 E HN 0.539 nan 8.360 nan 0.000 0.467 699 M N 0.521 120.134 119.600 0.021 0.000 2.086 699 M HA -0.164 4.308 4.480 -0.013 0.000 0.261 699 M C 2.497 178.622 176.300 -0.292 0.000 1.067 699 M CA 1.585 56.833 55.300 -0.087 0.000 1.116 699 M CB -0.220 32.214 32.600 -0.277 0.000 1.348 699 M HN 0.149 nan 8.290 nan 0.000 0.407 700 A N -0.156 122.212 122.820 -0.753 0.000 1.902 700 A HA -0.217 4.095 4.320 -0.013 0.000 0.217 700 A C 1.990 179.404 177.584 -0.283 0.000 1.181 700 A CA 1.940 53.507 52.037 -0.785 0.000 0.623 700 A CB -0.808 17.669 19.000 -0.873 0.000 0.818 700 A HN 0.582 nan 8.150 nan 0.000 0.443 701 E N -0.388 119.704 120.200 -0.180 0.000 2.077 701 E HA -0.226 4.116 4.350 -0.013 0.000 0.193 701 E C 1.820 178.396 176.600 -0.039 0.000 0.989 701 E CA 1.328 57.678 56.400 -0.084 0.000 0.800 701 E CB -0.076 29.592 29.700 -0.054 0.000 0.746 701 E HN 0.553 nan 8.360 nan 0.000 0.452 702 E N 0.108 120.312 120.200 0.007 0.000 2.047 702 E HA -0.146 4.196 4.350 -0.013 0.000 0.191 702 E C 1.883 178.505 176.600 0.037 0.000 0.987 702 E CA 1.183 57.605 56.400 0.037 0.000 0.799 702 E CB -0.252 29.516 29.700 0.114 0.000 0.752 702 E HN 0.365 nan 8.360 nan 0.000 0.449 703 A N 0.395 123.244 122.820 0.048 0.000 2.072 703 A HA 0.311 4.623 4.320 -0.013 0.000 0.216 703 A C 1.079 178.675 177.584 0.020 0.000 1.156 703 A CA 1.127 53.199 52.037 0.059 0.000 0.701 703 A CB -0.111 18.967 19.000 0.130 0.000 0.816 703 A HN 0.268 nan 8.150 nan 0.000 0.458 704 G N -0.616 108.175 108.800 -0.015 0.000 3.039 704 G HA2 -0.111 3.841 3.960 -0.013 0.000 0.686 704 G HA3 -0.111 3.841 3.960 -0.013 0.000 0.686 704 G C -0.008 174.874 174.900 -0.030 0.000 1.066 704 G CA 0.009 45.093 45.100 -0.027 0.000 0.774 704 G HN 0.273 nan 8.290 nan 0.000 0.591 705 E N 0.984 121.156 120.200 -0.047 0.000 2.209 705 E HA -0.157 4.185 4.350 -0.013 0.000 0.196 705 E C 2.032 178.617 176.600 -0.025 0.000 0.993 705 E CA 1.697 58.075 56.400 -0.036 0.000 0.819 705 E CB 0.069 29.744 29.700 -0.040 0.000 0.745 705 E HN 0.767 nan 8.360 nan 0.000 0.477 706 E N 0.680 120.853 120.200 -0.045 0.000 2.338 706 E HA -0.097 4.246 4.350 -0.013 0.000 0.197 706 E C 0.926 177.441 176.600 -0.143 0.000 1.007 706 E CA 0.649 57.001 56.400 -0.081 0.000 0.849 706 E CB -0.015 29.648 29.700 -0.060 0.000 0.774 706 E HN 0.142 nan 8.360 nan 0.000 0.506 707 N N -0.428 118.216 118.700 -0.093 0.000 2.238 707 N HA 0.155 4.888 4.740 -0.013 0.000 0.222 707 N C -1.031 174.420 175.510 -0.099 0.000 1.133 707 N CA 0.022 52.996 53.050 -0.127 0.000 0.854 707 N CB 0.436 38.896 38.487 -0.046 0.000 1.041 707 N HN 0.051 nan 8.380 nan 0.000 0.510 708 F N -0.245 119.510 119.950 -0.326 0.000 2.578 708 F HA 0.405 4.924 4.527 -0.014 0.000 0.311 708 F C -0.919 174.682 175.800 -0.331 0.000 1.094 708 F CA -1.100 56.756 58.000 -0.241 0.000 0.923 708 F CB 1.295 40.230 39.000 -0.108 0.000 1.230 708 F HN -0.214 nan 8.300 nan 0.000 0.450 709 F N 6.006 125.913 119.950 -0.072 0.000 2.425 709 F HA 0.410 4.929 4.527 -0.013 0.000 0.354 709 F C -0.063 175.857 175.800 0.200 0.000 1.162 709 F CA -0.330 57.692 58.000 0.037 0.000 1.250 709 F CB -0.080 38.890 39.000 -0.049 0.000 1.579 709 F HN 0.088 nan 8.300 nan 0.000 0.589 710 I N 4.107 124.891 120.570 0.357 0.000 2.396 710 I HA 0.363 4.526 4.170 -0.013 0.000 0.292 710 I C -0.247 176.067 176.117 0.328 0.000 0.999 710 I CA -0.602 60.886 61.300 0.312 0.000 1.310 710 I CB 0.770 38.881 38.000 0.186 0.000 1.404 710 I HN 0.334 nan 8.210 nan 0.000 0.496 711 F N 3.674 123.698 119.950 0.125 0.000 2.685 711 F HA 0.929 5.447 4.527 -0.013 0.000 0.315 711 F C 0.023 175.867 175.800 0.075 0.000 1.126 711 F CA -0.617 57.442 58.000 0.099 0.000 0.950 711 F CB 0.975 40.045 39.000 0.117 0.000 1.360 711 F HN 0.771 nan 8.300 nan 0.000 0.469 712 G N 1.071 109.939 108.800 0.114 0.000 2.728 712 G HA2 -0.089 3.863 3.960 -0.013 0.000 0.294 712 G HA3 -0.089 3.863 3.960 -0.013 0.000 0.294 712 G C -0.879 173.995 174.900 -0.044 0.000 1.342 712 G CA -0.615 44.492 45.100 0.010 0.000 0.866 712 G HN 0.961 nan 8.290 nan 0.000 0.534 713 M N 0.945 120.529 119.600 -0.027 0.000 2.249 713 M HA 0.213 4.686 4.480 -0.013 0.000 0.340 713 M C 1.237 177.504 176.300 -0.055 0.000 1.166 713 M CA 0.050 55.340 55.300 -0.015 0.000 1.115 713 M CB 0.305 32.906 32.600 0.000 0.000 1.606 713 M HN 0.520 nan 8.290 nan 0.000 0.448 714 R N 1.826 122.307 120.500 -0.031 0.000 2.541 714 R HA 0.257 4.590 4.340 -0.013 0.000 0.263 714 R C 1.217 177.501 176.300 -0.026 0.000 1.112 714 R CA -0.543 55.534 56.100 -0.038 0.000 1.170 714 R CB -0.050 30.234 30.300 -0.027 0.000 1.167 714 R HN 0.570 nan 8.270 nan 0.000 0.582 715 V N 1.460 121.358 119.914 -0.027 0.000 2.324 715 V HA -0.276 3.836 4.120 -0.013 0.000 0.250 715 V C 1.894 177.981 176.094 -0.012 0.000 1.060 715 V CA 2.068 64.356 62.300 -0.020 0.000 1.042 715 V CB -0.498 31.311 31.823 -0.022 0.000 0.650 715 V HN 0.631 nan 8.190 nan 0.000 0.450 716 E N 0.121 120.316 120.200 -0.010 0.000 2.110 716 E HA -0.180 4.163 4.350 -0.013 0.000 0.193 716 E C 1.955 178.561 176.600 0.010 0.000 0.988 716 E CA 1.351 57.750 56.400 -0.002 0.000 0.804 716 E CB -0.341 29.358 29.700 -0.001 0.000 0.745 716 E HN 0.629 nan 8.360 nan 0.000 0.458 717 D N -0.191 120.217 120.400 0.013 0.000 2.144 717 D HA -0.092 4.540 4.640 -0.013 0.000 0.200 717 D C 1.956 178.276 176.300 0.033 0.000 0.978 717 D CA 0.782 54.800 54.000 0.030 0.000 0.833 717 D CB -0.055 40.766 40.800 0.035 0.000 0.961 717 D HN 0.072 nan 8.370 nan 0.000 0.470 718 V N 1.768 121.689 119.914 0.012 0.000 2.358 718 V HA -0.203 3.909 4.120 -0.013 0.000 0.246 718 V C 1.958 178.057 176.094 0.009 0.000 1.047 718 V CA 1.608 63.909 62.300 0.002 0.000 1.035 718 V CB -0.407 31.407 31.823 -0.015 0.000 0.658 718 V HN 0.010 nan 8.190 nan 0.000 0.452 719 D N 0.059 120.464 120.400 0.007 0.000 2.123 719 D HA -0.157 4.476 4.640 -0.013 0.000 0.196 719 D C 2.429 178.743 176.300 0.024 0.000 0.992 719 D CA 1.309 55.314 54.000 0.009 0.000 0.833 719 D CB -0.253 40.548 40.800 0.003 0.000 0.954 719 D HN 0.367 nan 8.370 nan 0.000 0.455 720 R N 0.043 120.562 120.500 0.032 0.000 2.081 720 R HA -0.025 4.308 4.340 -0.013 0.000 0.235 720 R C 2.509 178.847 176.300 0.064 0.000 1.131 720 R CA 0.527 56.654 56.100 0.044 0.000 0.960 720 R CB -0.378 29.951 30.300 0.047 0.000 0.856 720 R HN 0.202 nan 8.270 nan 0.000 0.436 721 L N 0.656 121.927 121.223 0.081 0.000 2.093 721 L HA -0.198 4.135 4.340 -0.013 0.000 0.208 721 L C 1.468 178.408 176.870 0.116 0.000 1.085 721 L CA 1.301 56.217 54.840 0.126 0.000 0.755 721 L CB -0.240 41.913 42.059 0.156 0.000 0.904 721 L HN 0.225 nan 8.230 nan 0.000 0.435 722 D N -0.548 119.895 120.400 0.071 0.000 2.144 722 D HA -0.200 4.433 4.640 -0.013 0.000 0.200 722 D C 2.218 178.551 176.300 0.054 0.000 0.978 722 D CA 1.064 55.098 54.000 0.056 0.000 0.833 722 D CB -0.005 40.808 40.800 0.021 0.000 0.961 722 D HN 0.427 nan 8.370 nan 0.000 0.470 723 Q N 0.022 119.850 119.800 0.046 0.000 2.084 723 Q HA -0.099 4.233 4.340 -0.013 0.000 0.202 723 Q C 2.246 178.274 176.000 0.046 0.000 0.978 723 Q CA 0.875 56.701 55.803 0.039 0.000 0.844 723 Q CB 0.044 28.801 28.738 0.032 0.000 0.898 723 Q HN 0.141 nan 8.270 nan 0.000 0.426 724 R N -0.277 120.259 120.500 0.060 0.000 2.090 724 R HA 0.001 4.333 4.340 -0.013 0.000 0.228 724 R C -0.067 176.274 176.300 0.069 0.000 1.110 724 R CA 0.929 57.066 56.100 0.062 0.000 0.973 724 R CB 0.218 30.562 30.300 0.073 0.000 0.869 724 R HN 0.278 nan 8.270 nan 0.000 0.440 725 G N -0.208 108.648 108.800 0.094 0.000 3.355 725 G HA2 -0.258 3.694 3.960 -0.013 0.000 0.686 725 G HA3 -0.258 3.694 3.960 -0.013 0.000 0.686 725 G C -1.365 173.633 174.900 0.162 0.000 1.097 725 G CA -0.363 44.802 45.100 0.108 0.000 0.881 725 G HN 0.279 nan 8.290 nan 0.000 0.550 726 Y N 3.269 123.606 120.300 0.063 0.000 2.480 726 Y HA 0.582 5.124 4.550 -0.013 0.000 0.341 726 Y C 0.247 176.207 175.900 0.100 0.000 1.031 726 Y CA -1.078 57.079 58.100 0.094 0.000 1.295 726 Y CB 1.095 39.594 38.460 0.065 0.000 1.162 726 Y HN 0.604 nan 8.280 nan 0.000 0.523 727 N N 4.883 123.380 118.700 -0.338 0.000 2.564 727 N HA 0.337 5.069 4.740 -0.013 0.000 0.248 727 N C 0.252 175.511 175.510 -0.417 0.000 0.986 727 N CA 0.246 53.099 53.050 -0.327 0.000 0.921 727 N CB 1.237 39.654 38.487 -0.117 0.000 1.136 727 N HN 0.785 nan 8.380 nan 0.000 0.509 728 A N 2.861 125.338 122.820 -0.573 0.000 1.972 728 A HA -0.177 4.135 4.320 -0.013 0.000 0.219 728 A C 1.854 179.555 177.584 0.196 0.000 1.169 728 A CA 1.361 53.280 52.037 -0.196 0.000 0.635 728 A CB -0.391 18.411 19.000 -0.331 0.000 0.810 728 A HN 0.700 nan 8.150 nan 0.000 0.446 729 Q N 0.280 120.091 119.800 0.018 0.000 2.135 729 Q HA -0.228 4.105 4.340 -0.013 0.000 0.204 729 Q C 1.876 177.948 176.000 0.120 0.000 0.981 729 Q CA 2.228 58.067 55.803 0.059 0.000 0.856 729 Q CB -0.348 28.377 28.738 -0.021 0.000 0.902 729 Q HN 0.780 nan 8.270 nan 0.000 0.425 730 E N -1.340 118.872 120.200 0.019 0.000 2.058 730 E HA -0.246 4.096 4.350 -0.013 0.000 0.194 730 E C 1.575 178.110 176.600 -0.108 0.000 0.997 730 E CA 1.548 57.886 56.400 -0.103 0.000 0.801 730 E CB -0.240 29.295 29.700 -0.275 0.000 0.746 730 E HN 0.593 nan 8.360 nan 0.000 0.450 731 Y N -1.076 119.291 120.300 0.112 0.000 2.200 731 Y HA -0.210 4.332 4.550 -0.013 0.000 0.290 731 Y C 2.241 178.141 175.900 0.001 0.000 1.137 731 Y CA 1.498 59.653 58.100 0.090 0.000 1.163 731 Y CB -0.680 37.885 38.460 0.176 0.000 0.988 731 Y HN 0.239 nan 8.280 nan 0.000 0.518 732 Y N 1.381 121.718 120.300 0.061 0.000 2.165 732 Y HA -0.285 4.257 4.550 -0.013 0.000 0.286 732 Y C 1.833 177.704 175.900 -0.048 0.000 1.155 732 Y CA 1.919 59.980 58.100 -0.065 0.000 1.164 732 Y CB -0.384 38.090 38.460 0.023 0.000 0.978 732 Y HN 0.084 nan 8.280 nan 0.000 0.513 733 D N -0.411 120.079 120.400 0.151 0.000 2.183 733 D HA -0.094 4.538 4.640 -0.013 0.000 0.203 733 D C 1.872 178.148 176.300 -0.039 0.000 0.969 733 D CA 1.218 55.251 54.000 0.055 0.000 0.842 733 D CB -0.102 40.749 40.800 0.085 0.000 0.957 733 D HN 0.486 nan 8.370 nan 0.000 0.484 734 R N -0.269 120.209 120.500 -0.037 0.000 2.308 734 R HA 0.282 4.614 4.340 -0.013 0.000 0.202 734 R C 0.364 176.645 176.300 -0.031 0.000 0.898 734 R CA 0.071 56.150 56.100 -0.035 0.000 1.046 734 R CB 1.136 31.413 30.300 -0.037 0.000 1.026 734 R HN 0.141 nan 8.270 nan 0.000 0.512 735 I N 2.377 122.912 120.570 -0.058 0.000 2.405 735 I HA 0.221 4.383 4.170 -0.013 0.000 0.280 735 I C -1.930 174.098 176.117 -0.147 0.000 1.027 735 I CA -2.326 58.943 61.300 -0.052 0.000 1.161 735 I CB 2.101 40.108 38.000 0.012 0.000 1.300 735 I HN -0.275 nan 8.210 nan 0.000 0.463 736 P HA -0.139 nan 4.420 nan 0.000 0.217 736 P C 1.192 178.402 177.300 -0.151 0.000 1.150 736 P CA 1.275 64.287 63.100 -0.147 0.000 0.832 736 P CB 0.316 31.962 31.700 -0.091 0.000 0.787 737 E N -0.961 119.188 120.200 -0.086 0.000 2.153 737 E HA -0.159 4.183 4.350 -0.013 0.000 0.194 737 E C 1.831 178.339 176.600 -0.152 0.000 0.988 737 E CA 0.656 57.021 56.400 -0.058 0.000 0.811 737 E CB -0.544 29.191 29.700 0.059 0.000 0.746 737 E HN 0.115 nan 8.360 nan 0.000 0.466 738 L N 1.135 122.183 121.223 -0.292 0.000 2.072 738 L HA -0.114 4.218 4.340 -0.013 0.000 0.205 738 L C 2.332 178.935 176.870 -0.446 0.000 1.079 738 L CA 1.582 56.081 54.840 -0.569 0.000 0.752 738 L CB -0.287 41.284 42.059 -0.814 0.000 0.906 738 L HN -0.094 nan 8.230 nan 0.000 0.436 739 R N -0.816 119.399 120.500 -0.476 0.000 2.091 739 R HA -0.252 4.080 4.340 -0.013 0.000 0.238 739 R C 2.402 178.538 176.300 -0.273 0.000 1.136 739 R CA 2.058 57.801 56.100 -0.595 0.000 0.959 739 R CB -0.356 29.517 30.300 -0.711 0.000 0.856 739 R HN 0.602 nan 8.270 nan 0.000 0.437 740 Q N 0.400 120.075 119.800 -0.209 0.000 2.061 740 Q HA -0.202 4.130 4.340 -0.013 0.000 0.204 740 Q C 2.074 178.021 176.000 -0.088 0.000 0.984 740 Q CA 2.087 57.811 55.803 -0.132 0.000 0.846 740 Q CB -0.132 28.531 28.738 -0.126 0.000 0.902 740 Q HN 0.465 nan 8.270 nan 0.000 0.421 741 I N 0.607 121.123 120.570 -0.090 0.000 2.179 741 I HA -0.297 3.866 4.170 -0.013 0.000 0.242 741 I C 2.147 178.286 176.117 0.038 0.000 1.088 741 I CA 0.698 61.985 61.300 -0.023 0.000 1.357 741 I CB -0.317 37.642 38.000 -0.070 0.000 1.051 741 I HN 0.300 nan 8.210 nan 0.000 0.409 742 I N 0.766 121.357 120.570 0.035 0.000 2.226 742 I HA -0.246 3.917 4.170 -0.013 0.000 0.245 742 I C 2.456 178.671 176.117 0.163 0.000 1.100 742 I CA 1.672 63.062 61.300 0.148 0.000 1.374 742 I CB -1.321 36.855 38.000 0.294 0.000 1.057 742 I HN 0.352 nan 8.210 nan 0.000 0.413 743 E N 0.373 120.649 120.200 0.126 0.000 2.077 743 E HA -0.236 4.106 4.350 -0.013 0.000 0.193 743 E C 2.201 178.862 176.600 0.102 0.000 0.989 743 E CA 0.991 57.456 56.400 0.109 0.000 0.800 743 E CB -0.101 29.633 29.700 0.056 0.000 0.746 743 E HN 0.567 nan 8.360 nan 0.000 0.452 744 Q N 0.431 120.275 119.800 0.073 0.000 2.050 744 Q HA -0.160 4.172 4.340 -0.013 0.000 0.202 744 Q C 2.368 178.543 176.000 0.291 0.000 0.980 744 Q CA 1.118 56.981 55.803 0.100 0.000 0.840 744 Q CB -0.095 28.633 28.738 -0.016 0.000 0.898 744 Q HN 0.299 nan 8.270 nan 0.000 0.424 745 L N -0.038 121.366 121.223 0.302 0.000 2.017 745 L HA -0.209 4.123 4.340 -0.013 0.000 0.208 745 L C 2.478 179.529 176.870 0.302 0.000 1.073 745 L CA 1.088 56.125 54.840 0.328 0.000 0.745 745 L CB -0.409 41.762 42.059 0.187 0.000 0.894 745 L HN 0.150 nan 8.230 nan 0.000 0.432 746 S N -0.334 115.498 115.700 0.220 0.000 2.383 746 S HA -0.152 4.310 4.470 -0.013 0.000 0.227 746 S C 2.126 176.826 174.600 0.165 0.000 1.026 746 S CA 1.507 59.816 58.200 0.181 0.000 0.981 746 S CB -0.222 63.065 63.200 0.145 0.000 0.818 746 S HN 0.613 nan 8.310 nan 0.000 0.472 747 S N 0.435 116.234 115.700 0.165 0.000 2.461 747 S HA 0.294 4.756 4.470 -0.013 0.000 0.228 747 S C 1.466 176.153 174.600 0.146 0.000 1.005 747 S CA 0.759 59.042 58.200 0.138 0.000 0.942 747 S CB -0.125 63.149 63.200 0.124 0.000 0.776 747 S HN 0.839 nan 8.310 nan 0.000 0.514 748 G N 0.448 109.368 108.800 0.200 0.000 2.135 748 G HA2 -0.240 3.712 3.960 -0.013 0.000 0.183 748 G HA3 -0.240 3.712 3.960 -0.013 0.000 0.183 748 G C 0.137 175.132 174.900 0.158 0.000 1.004 748 G CA 0.054 45.263 45.100 0.182 0.000 0.677 748 G HN 0.467 nan 8.290 nan 0.000 0.512 749 F N 0.280 120.235 119.950 0.010 0.000 2.171 749 F HA 0.189 4.708 4.527 -0.013 0.000 0.300 749 F C 1.873 177.477 175.800 -0.326 0.000 1.090 749 F CA 1.928 59.807 58.000 -0.201 0.000 1.293 749 F CB -0.016 38.777 39.000 -0.345 0.000 1.013 749 F HN 0.181 nan 8.300 nan 0.000 0.486 750 F N -0.391 119.689 119.950 0.217 0.000 2.727 750 F HA 0.200 4.719 4.527 -0.013 0.000 0.302 750 F C 0.608 176.512 175.800 0.172 0.000 1.097 750 F CA 0.225 58.307 58.000 0.136 0.000 1.330 750 F CB -0.084 39.006 39.000 0.150 0.000 1.084 750 F HN -0.045 nan 8.300 nan 0.000 0.578 751 S N -1.739 114.108 115.700 0.245 0.000 2.488 751 S HA 0.318 4.780 4.470 -0.013 0.000 0.151 751 S C -2.515 172.104 174.600 0.033 0.000 1.401 751 S CA -1.011 57.258 58.200 0.114 0.000 1.221 751 S CB 0.977 64.202 63.200 0.041 0.000 1.407 751 S HN -0.185 nan 8.310 nan 0.000 0.406 752 P HA -0.024 nan 4.420 nan 0.000 0.217 752 P C 1.008 178.298 177.300 -0.017 0.000 1.150 752 P CA 1.128 64.207 63.100 -0.036 0.000 0.832 752 P CB 0.093 31.744 31.700 -0.080 0.000 0.787 753 K N -1.055 119.335 120.400 -0.016 0.000 2.365 753 K HA 0.034 4.346 4.320 -0.013 0.000 0.197 753 K C 0.634 177.232 176.600 -0.005 0.000 1.042 753 K CA 0.692 56.974 56.287 -0.010 0.000 0.987 753 K CB 0.084 32.579 32.500 -0.009 0.000 0.779 753 K HN 0.292 nan 8.250 nan 0.000 0.484 754 Q N -0.009 119.786 119.800 -0.008 0.000 3.064 754 Q HA 0.158 4.490 4.340 -0.013 0.000 0.258 754 Q C -2.399 173.591 176.000 -0.017 0.000 0.972 754 Q CA -1.651 54.142 55.803 -0.016 0.000 0.761 754 Q CB 1.518 30.239 28.738 -0.028 0.000 1.281 754 Q HN -0.081 nan 8.270 nan 0.000 0.455 755 P HA -0.201 nan 4.420 nan 0.000 0.218 755 P C 0.586 177.917 177.300 0.052 0.000 1.148 755 P CA 1.387 64.512 63.100 0.041 0.000 0.822 755 P CB 0.215 31.940 31.700 0.041 0.000 0.784 756 D N -1.314 119.101 120.400 0.025 0.000 2.388 756 D HA 0.006 4.638 4.640 -0.013 0.000 0.221 756 D C 1.515 177.812 176.300 -0.006 0.000 1.133 756 D CA -0.299 53.723 54.000 0.038 0.000 0.831 756 D CB -0.622 40.203 40.800 0.041 0.000 0.962 756 D HN 0.008 nan 8.370 nan 0.000 0.502 757 L N -0.156 120.996 121.223 -0.118 0.000 2.079 757 L HA -0.011 4.321 4.340 -0.013 0.000 0.210 757 L C 1.138 177.801 176.870 -0.345 0.000 1.081 757 L CA 1.658 56.310 54.840 -0.314 0.000 0.752 757 L CB -0.585 41.101 42.059 -0.621 0.000 0.896 757 L HN -0.003 nan 8.230 nan 0.000 0.433 758 F N -0.606 119.400 119.950 0.092 0.000 2.668 758 F HA 0.135 4.654 4.527 -0.013 0.000 0.297 758 F C 1.855 177.705 175.800 0.083 0.000 1.124 758 F CA -0.159 57.885 58.000 0.073 0.000 1.353 758 F CB -0.320 38.712 39.000 0.053 0.000 0.992 758 F HN 0.101 nan 8.300 nan 0.000 0.524 759 K N -0.326 120.190 120.400 0.194 0.000 2.097 759 K HA -0.182 4.130 4.320 -0.013 0.000 0.206 759 K C 0.948 177.645 176.600 0.163 0.000 1.049 759 K CA 1.969 58.351 56.287 0.160 0.000 0.933 759 K CB -0.230 32.341 32.500 0.118 0.000 0.717 759 K HN 0.066 nan 8.250 nan 0.000 0.442 760 D N 1.239 121.750 120.400 0.186 0.000 2.144 760 D HA -0.070 4.562 4.640 -0.013 0.000 0.200 760 D C 2.024 178.428 176.300 0.173 0.000 0.978 760 D CA 1.070 55.192 54.000 0.203 0.000 0.833 760 D CB -0.088 40.877 40.800 0.275 0.000 0.961 760 D HN 0.309 nan 8.370 nan 0.000 0.470 761 I N 0.354 121.025 120.570 0.170 0.000 2.202 761 I HA -0.209 3.954 4.170 -0.013 0.000 0.242 761 I C 2.391 178.546 176.117 0.064 0.000 1.091 761 I CA 0.573 61.939 61.300 0.109 0.000 1.368 761 I CB -0.202 37.861 38.000 0.105 0.000 1.058 761 I HN -0.115 nan 8.210 nan 0.000 0.410 762 V N 1.253 121.225 119.914 0.096 0.000 2.287 762 V HA -0.311 3.802 4.120 -0.013 0.000 0.248 762 V C 2.256 178.345 176.094 -0.009 0.000 1.053 762 V CA 2.415 64.754 62.300 0.065 0.000 1.027 762 V CB -1.001 30.887 31.823 0.109 0.000 0.646 762 V HN 0.481 nan 8.190 nan 0.000 0.447 763 N N -0.128 118.593 118.700 0.034 0.000 2.104 763 N HA -0.213 4.520 4.740 -0.013 0.000 0.190 763 N C 1.835 177.196 175.510 -0.248 0.000 1.024 763 N CA 1.852 54.920 53.050 0.030 0.000 0.853 763 N CB -0.293 38.285 38.487 0.152 0.000 1.008 763 N HN 0.349 nan 8.380 nan 0.000 0.424 764 M N -0.280 119.179 119.600 -0.234 0.000 2.086 764 M HA -0.095 4.378 4.480 -0.013 0.000 0.261 764 M C 1.401 177.495 176.300 -0.344 0.000 1.067 764 M CA 1.245 56.307 55.300 -0.396 0.000 1.116 764 M CB -0.632 31.967 32.600 -0.003 0.000 1.348 764 M HN 0.195 nan 8.290 nan 0.000 0.407 765 L N 0.758 121.826 121.223 -0.259 0.000 2.042 765 L HA -0.208 4.124 4.340 -0.013 0.000 0.210 765 L C 2.452 178.976 176.870 -0.577 0.000 1.076 765 L CA 1.663 56.256 54.840 -0.410 0.000 0.749 765 L CB -1.133 40.734 42.059 -0.320 0.000 0.893 765 L HN 0.348 nan 8.230 nan 0.000 0.432 766 M N -2.058 117.260 119.600 -0.471 0.000 2.288 766 M HA -0.063 4.409 4.480 -0.013 0.000 0.266 766 M C 1.780 177.655 176.300 -0.709 0.000 1.072 766 M CA 1.385 56.323 55.300 -0.603 0.000 1.132 766 M CB -0.729 31.438 32.600 -0.722 0.000 1.386 766 M HN 0.337 nan 8.290 nan 0.000 0.432 767 H N -1.930 116.978 119.070 -0.270 0.000 3.091 767 H HA 0.197 4.745 4.556 -0.013 0.000 0.249 767 H C 0.085 175.373 175.328 -0.067 0.000 0.985 767 H CA 0.612 56.561 56.048 -0.165 0.000 1.177 767 H CB 0.337 30.056 29.762 -0.072 0.000 1.456 767 H HN 0.554 nan 8.280 nan 0.000 0.467 768 H N -1.084 118.046 119.070 0.100 0.000 2.825 768 H HA 0.263 4.811 4.556 -0.013 0.000 0.226 768 H C -1.080 174.275 175.328 0.045 0.000 1.414 768 H CA -0.587 55.506 56.048 0.076 0.000 1.198 768 H CB 0.097 29.903 29.762 0.074 0.000 2.013 768 H HN -0.116 nan 8.280 nan 0.000 0.530 769 D N 1.444 121.874 120.400 0.049 0.000 2.411 769 D HA 0.125 4.758 4.640 -0.013 0.000 0.225 769 D C 0.913 177.167 176.300 -0.076 0.000 1.156 769 D CA -0.421 53.587 54.000 0.013 0.000 0.874 769 D CB 0.713 41.497 40.800 -0.026 0.000 1.034 769 D HN 0.436 nan 8.370 nan 0.000 0.502 770 R N 2.288 122.655 120.500 -0.221 0.000 2.241 770 R HA -0.064 4.269 4.340 -0.013 0.000 0.224 770 R C 0.570 176.396 176.300 -0.791 0.000 1.101 770 R CA 0.941 56.690 56.100 -0.584 0.000 0.995 770 R CB 0.082 29.818 30.300 -0.939 0.000 0.870 770 R HN 0.417 nan 8.270 nan 0.000 0.463 771 F N 0.052 119.962 119.950 -0.066 0.000 2.688 771 F HA 0.277 4.796 4.527 -0.013 0.000 0.310 771 F C 0.031 175.715 175.800 -0.193 0.000 1.098 771 F CA -0.684 57.266 58.000 -0.082 0.000 1.228 771 F CB 0.316 39.331 39.000 0.026 0.000 1.042 771 F HN -0.253 nan 8.300 nan 0.000 0.557 772 K N -0.316 119.906 120.400 -0.296 0.000 3.150 772 K HA -0.171 4.141 4.320 -0.013 0.000 0.267 772 K C 0.950 177.442 176.600 -0.182 0.000 1.028 772 K CA 0.213 56.145 56.287 -0.592 0.000 0.753 772 K CB -1.901 30.180 32.500 -0.697 0.000 1.288 772 K HN 0.204 nan 8.250 nan 0.000 0.473 773 V N -0.042 119.845 119.914 -0.045 0.000 2.287 773 V HA -0.286 3.826 4.120 -0.013 0.000 0.248 773 V C 1.950 178.194 176.094 0.250 0.000 1.053 773 V CA 2.323 64.676 62.300 0.088 0.000 1.027 773 V CB -0.500 31.377 31.823 0.091 0.000 0.646 773 V HN 0.489 nan 8.190 nan 0.000 0.447 774 F N 0.173 120.127 119.950 0.007 0.000 2.216 774 F HA -0.169 4.350 4.527 -0.013 0.000 0.300 774 F C 2.504 178.086 175.800 -0.364 0.000 1.085 774 F CA 0.613 58.559 58.000 -0.090 0.000 1.326 774 F CB -0.342 38.628 39.000 -0.050 0.000 1.027 774 F HN 0.198 nan 8.300 nan 0.000 0.497 775 A N -0.541 122.119 122.820 -0.267 0.000 2.019 775 A HA -0.185 4.127 4.320 -0.013 0.000 0.219 775 A C 1.448 179.010 177.584 -0.036 0.000 1.164 775 A CA 1.800 53.582 52.037 -0.426 0.000 0.644 775 A CB -0.425 18.486 19.000 -0.148 0.000 0.805 775 A HN 0.217 nan 8.150 nan 0.000 0.449 776 D N -2.815 117.631 120.400 0.077 0.000 2.369 776 D HA 0.091 4.724 4.640 -0.013 0.000 0.211 776 D C 1.153 177.609 176.300 0.260 0.000 1.077 776 D CA -0.039 54.082 54.000 0.202 0.000 0.842 776 D CB -0.112 40.823 40.800 0.224 0.000 0.947 776 D HN 0.590 nan 8.370 nan 0.000 0.509 777 Y N 1.995 122.366 120.300 0.118 0.000 2.097 777 Y HA -0.203 4.340 4.550 -0.012 0.000 0.282 777 Y C 2.072 178.045 175.900 0.122 0.000 1.152 777 Y CA 1.844 60.021 58.100 0.129 0.000 1.136 777 Y CB 0.222 38.722 38.460 0.066 0.000 0.975 777 Y HN -0.108 nan 8.280 nan 0.000 0.498 778 E N -0.029 120.217 120.200 0.078 0.000 2.051 778 E HA -0.232 4.110 4.350 -0.013 0.000 0.192 778 E C 2.176 178.738 176.600 -0.062 0.000 0.991 778 E CA 1.483 57.862 56.400 -0.035 0.000 0.799 778 E CB -0.156 29.626 29.700 0.137 0.000 0.748 778 E HN 0.630 nan 8.360 nan 0.000 0.449 779 E N -0.127 120.112 120.200 0.065 0.000 2.110 779 E HA -0.203 4.139 4.350 -0.013 0.000 0.193 779 E C 1.941 178.529 176.600 -0.019 0.000 0.988 779 E CA 0.805 57.268 56.400 0.105 0.000 0.804 779 E CB -0.144 29.714 29.700 0.262 0.000 0.745 779 E HN 0.259 nan 8.360 nan 0.000 0.458 780 Y N 1.400 121.509 120.300 -0.319 0.000 2.114 780 Y HA -0.241 4.301 4.550 -0.013 0.000 0.284 780 Y C 2.197 177.703 175.900 -0.657 0.000 1.143 780 Y CA 1.094 58.693 58.100 -0.835 0.000 1.135 780 Y CB -0.580 37.437 38.460 -0.738 0.000 0.980 780 Y HN -0.208 nan 8.280 nan 0.000 0.499 781 V N 0.415 119.965 119.914 -0.606 0.000 2.332 781 V HA -0.317 3.795 4.120 -0.013 0.000 0.248 781 V C 2.365 178.222 176.094 -0.394 0.000 1.055 781 V CA 2.344 64.304 62.300 -0.567 0.000 1.038 781 V CB -0.698 30.822 31.823 -0.504 0.000 0.651 781 V HN 0.212 nan 8.190 nan 0.000 0.450 782 K N -0.490 119.746 120.400 -0.274 0.000 2.032 782 K HA -0.190 4.123 4.320 -0.013 0.000 0.209 782 K C 2.254 178.761 176.600 -0.155 0.000 1.048 782 K CA 1.899 58.093 56.287 -0.155 0.000 0.927 782 K CB -0.997 31.461 32.500 -0.071 0.000 0.712 782 K HN 0.544 nan 8.250 nan 0.000 0.441 783 C N 0.765 119.945 119.300 -0.200 0.000 2.425 783 C HA -0.081 4.371 4.460 -0.013 0.000 0.277 783 C C 2.453 177.265 174.990 -0.297 0.000 1.280 783 C CA 0.725 59.656 59.018 -0.145 0.000 1.744 783 C CB -0.720 26.951 27.740 -0.115 0.000 1.989 783 C HN 0.476 nan 8.230 nan 0.000 0.491 784 Q N 0.436 119.913 119.800 -0.538 0.000 2.170 784 Q HA -0.166 4.166 4.340 -0.013 0.000 0.203 784 Q C 1.985 177.787 176.000 -0.330 0.000 0.976 784 Q CA 1.586 57.030 55.803 -0.598 0.000 0.858 784 Q CB -0.384 27.739 28.738 -1.025 0.000 0.907 784 Q HN 0.761 nan 8.270 nan 0.000 0.433 785 E N 0.252 120.318 120.200 -0.224 0.000 2.106 785 E HA -0.138 4.204 4.350 -0.013 0.000 0.192 785 E C 2.074 178.637 176.600 -0.063 0.000 0.984 785 E CA 0.593 56.926 56.400 -0.113 0.000 0.806 785 E CB -0.033 29.620 29.700 -0.079 0.000 0.750 785 E HN 0.269 nan 8.360 nan 0.000 0.458 786 R N 0.496 120.971 120.500 -0.042 0.000 2.120 786 R HA -0.088 4.244 4.340 -0.013 0.000 0.234 786 R C 2.417 178.755 176.300 0.064 0.000 1.123 786 R CA 0.903 57.053 56.100 0.084 0.000 0.975 786 R CB -0.353 30.073 30.300 0.209 0.000 0.866 786 R HN 0.069 nan 8.270 nan 0.000 0.446 787 V N 0.700 120.445 119.914 -0.281 0.000 2.295 787 V HA -0.247 3.865 4.120 -0.013 0.000 0.246 787 V C 2.207 178.280 176.094 -0.036 0.000 1.049 787 V CA 2.026 64.047 62.300 -0.465 0.000 1.024 787 V CB -0.390 31.028 31.823 -0.675 0.000 0.648 787 V HN 0.287 nan 8.190 nan 0.000 0.447 788 S N 0.132 115.785 115.700 -0.078 0.000 2.382 788 S HA -0.169 4.293 4.470 -0.013 0.000 0.228 788 S C 2.212 176.866 174.600 0.090 0.000 1.027 788 S CA 1.367 59.555 58.200 -0.021 0.000 0.991 788 S CB -0.515 62.646 63.200 -0.065 0.000 0.823 788 S HN 0.652 nan 8.310 nan 0.000 0.469 789 A N 1.476 124.355 122.820 0.097 0.000 1.883 789 A HA -0.024 4.288 4.320 -0.013 0.000 0.217 789 A C 2.100 179.798 177.584 0.191 0.000 1.186 789 A CA 1.144 53.260 52.037 0.131 0.000 0.624 789 A CB -0.740 18.329 19.000 0.115 0.000 0.822 789 A HN 0.459 nan 8.150 nan 0.000 0.444 790 L N -2.092 119.305 121.223 0.289 0.000 2.093 790 L HA -0.148 4.184 4.340 -0.013 0.000 0.208 790 L C 2.460 179.593 176.870 0.438 0.000 1.085 790 L CA 1.735 56.819 54.840 0.407 0.000 0.755 790 L CB -0.411 42.011 42.059 0.605 0.000 0.904 790 L HN 0.605 nan 8.230 nan 0.000 0.435 791 Y N 0.972 121.384 120.300 0.185 0.000 2.333 791 Y HA -0.247 4.296 4.550 -0.011 0.000 0.290 791 Y C 2.396 178.230 175.900 -0.110 0.000 1.144 791 Y CA 1.521 59.492 58.100 -0.215 0.000 1.228 791 Y CB -0.031 38.111 38.460 -0.530 0.000 0.985 791 Y HN 0.070 nan 8.280 nan 0.000 0.542 792 K N -0.167 120.282 120.400 0.082 0.000 2.360 792 K HA -0.146 4.167 4.320 -0.013 0.000 0.201 792 K C 0.369 176.959 176.600 -0.017 0.000 1.046 792 K CA 0.827 57.142 56.287 0.047 0.000 0.945 792 K CB -0.109 32.456 32.500 0.107 0.000 0.750 792 K HN 0.056 nan 8.250 nan 0.000 0.464 793 N N 0.442 119.145 118.700 0.005 0.000 2.898 793 N HA 0.137 4.869 4.740 -0.013 0.000 0.245 793 N C -2.432 173.081 175.510 0.005 0.000 1.185 793 N CA -2.266 50.792 53.050 0.013 0.000 0.879 793 N CB 1.199 39.725 38.487 0.065 0.000 1.157 793 N HN -0.203 nan 8.380 nan 0.000 0.503 794 P HA -0.171 nan 4.420 nan 0.000 0.216 794 P C 1.391 178.704 177.300 0.020 0.000 1.153 794 P CA 1.108 64.137 63.100 -0.119 0.000 0.858 794 P CB 0.407 32.012 31.700 -0.159 0.000 0.789 795 R N 0.045 120.556 120.500 0.020 0.000 2.073 795 R HA -0.150 4.182 4.340 -0.013 0.000 0.234 795 R C 1.954 178.297 176.300 0.071 0.000 1.134 795 R CA 1.423 57.546 56.100 0.039 0.000 0.952 795 R CB -0.368 29.946 30.300 0.023 0.000 0.850 795 R HN 0.079 nan 8.270 nan 0.000 0.433 796 E N -0.058 120.194 120.200 0.087 0.000 2.152 796 E HA -0.210 4.132 4.350 -0.013 0.000 0.192 796 E C 1.588 178.266 176.600 0.131 0.000 0.983 796 E CA 0.579 57.034 56.400 0.092 0.000 0.818 796 E CB -0.421 29.331 29.700 0.086 0.000 0.758 796 E HN 0.511 nan 8.360 nan 0.000 0.467 797 W N 2.192 123.491 121.300 -0.001 0.000 2.333 797 W HA -0.207 4.444 4.660 -0.014 0.000 0.316 797 W C 1.626 178.152 176.519 0.012 0.000 1.215 797 W CA 2.193 59.550 57.345 0.020 0.000 1.278 797 W CB -0.426 29.011 29.460 -0.038 0.000 1.154 797 W HN 0.037 nan 8.180 nan 0.000 0.486 798 T N 1.101 115.786 114.554 0.220 0.000 2.821 798 T HA -0.166 4.176 4.350 -0.013 0.000 0.267 798 T C 1.851 176.561 174.700 0.016 0.000 1.046 798 T CA 1.667 63.830 62.100 0.104 0.000 1.139 798 T CB -0.321 68.596 68.868 0.082 0.000 0.871 798 T HN 0.175 nan 8.240 nan 0.000 0.454 799 R N 0.440 120.957 120.500 0.027 0.000 2.096 799 R HA 0.066 4.399 4.340 -0.013 0.000 0.235 799 R C 2.505 178.795 176.300 -0.016 0.000 1.127 799 R CA 1.256 57.371 56.100 0.024 0.000 0.968 799 R CB -0.337 29.983 30.300 0.033 0.000 0.861 799 R HN 0.367 nan 8.270 nan 0.000 0.440 800 M N 0.428 119.981 119.600 -0.078 0.000 2.175 800 M HA -0.132 4.340 4.480 -0.013 0.000 0.264 800 M C 1.955 178.162 176.300 -0.154 0.000 1.063 800 M CA 1.323 56.540 55.300 -0.138 0.000 1.119 800 M CB 0.186 32.650 32.600 -0.227 0.000 1.377 800 M HN -0.015 nan 8.290 nan 0.000 0.415 801 V N 1.002 120.798 119.914 -0.196 0.000 2.287 801 V HA -0.326 3.786 4.120 -0.013 0.000 0.248 801 V C 2.213 178.290 176.094 -0.029 0.000 1.053 801 V CA 2.096 64.316 62.300 -0.132 0.000 1.027 801 V CB -0.628 31.136 31.823 -0.098 0.000 0.646 801 V HN 0.509 nan 8.190 nan 0.000 0.447 802 I N -0.636 119.940 120.570 0.009 0.000 2.264 802 I HA -0.266 3.896 4.170 -0.013 0.000 0.248 802 I C 2.696 178.863 176.117 0.083 0.000 1.111 802 I CA 1.590 62.945 61.300 0.092 0.000 1.382 802 I CB -0.427 37.681 38.000 0.180 0.000 1.060 802 I HN 0.214 nan 8.210 nan 0.000 0.418 803 R N 0.410 120.935 120.500 0.042 0.000 2.148 803 R HA -0.095 4.237 4.340 -0.013 0.000 0.227 803 R C 2.018 178.345 176.300 0.045 0.000 1.103 803 R CA 1.032 57.153 56.100 0.036 0.000 0.983 803 R CB -0.351 29.955 30.300 0.010 0.000 0.874 803 R HN 0.533 nan 8.270 nan 0.000 0.451 804 N N 0.683 119.404 118.700 0.035 0.000 2.109 804 N HA -0.080 4.652 4.740 -0.013 0.000 0.188 804 N C 1.967 177.529 175.510 0.087 0.000 1.034 804 N CA 1.082 54.172 53.050 0.066 0.000 0.846 804 N CB -0.040 38.467 38.487 0.033 0.000 1.010 804 N HN 0.111 nan 8.380 nan 0.000 0.425 805 I N 1.688 122.301 120.570 0.071 0.000 2.194 805 I HA -0.261 3.901 4.170 -0.013 0.000 0.246 805 I C 2.435 178.598 176.117 0.078 0.000 1.093 805 I CA 1.021 62.368 61.300 0.078 0.000 1.355 805 I CB -0.311 37.731 38.000 0.070 0.000 1.046 805 I HN 0.105 nan 8.210 nan 0.000 0.413 806 A N 0.217 123.082 122.820 0.075 0.000 2.067 806 A HA -0.152 4.160 4.320 -0.013 0.000 0.219 806 A C 2.089 179.706 177.584 0.055 0.000 1.158 806 A CA 1.981 54.052 52.037 0.057 0.000 0.661 806 A CB -0.818 18.218 19.000 0.060 0.000 0.801 806 A HN 0.535 nan 8.150 nan 0.000 0.452 807 T N -2.852 111.748 114.554 0.077 0.000 3.176 807 T HA 0.176 4.518 4.350 -0.013 0.000 0.263 807 T C 1.191 175.975 174.700 0.141 0.000 1.021 807 T CA 0.642 62.791 62.100 0.082 0.000 0.905 807 T CB -0.169 68.746 68.868 0.078 0.000 1.057 807 T HN 0.475 nan 8.240 nan 0.000 0.558 808 S N 0.198 115.997 115.700 0.166 0.000 2.562 808 S HA 0.226 4.688 4.470 -0.013 0.000 0.221 808 S C 2.232 176.960 174.600 0.214 0.000 0.975 808 S CA 0.323 58.692 58.200 0.282 0.000 0.918 808 S CB -0.700 62.636 63.200 0.227 0.000 0.772 808 S HN 0.527 nan 8.310 nan 0.000 0.531 809 G N 2.602 111.450 108.800 0.080 0.000 2.469 809 G HA2 -0.297 3.656 3.960 -0.013 0.000 0.220 809 G HA3 -0.297 3.656 3.960 -0.013 0.000 0.220 809 G C 1.329 176.182 174.900 -0.079 0.000 1.136 809 G CA 1.055 46.168 45.100 0.023 0.000 0.759 809 G HN 0.608 nan 8.290 nan 0.000 0.562 810 K N -0.195 120.039 120.400 -0.277 0.000 2.281 810 K HA -0.041 4.271 4.320 -0.013 0.000 0.203 810 K C 1.259 177.537 176.600 -0.538 0.000 1.046 810 K CA 0.810 56.787 56.287 -0.517 0.000 0.938 810 K CB -0.256 31.737 32.500 -0.845 0.000 0.737 810 K HN 0.430 nan 8.250 nan 0.000 0.458 811 F N 0.651 120.630 119.950 0.047 0.000 2.664 811 F HA 0.146 4.665 4.527 -0.014 0.000 0.301 811 F C 0.786 176.630 175.800 0.074 0.000 1.126 811 F CA -0.622 57.413 58.000 0.058 0.000 1.373 811 F CB 0.469 39.500 39.000 0.051 0.000 1.042 811 F HN -0.133 nan 8.300 nan 0.000 0.535 812 S N 0.470 116.257 115.700 0.144 0.000 2.531 812 S HA 0.034 4.496 4.470 -0.013 0.000 0.279 812 S C 1.497 176.180 174.600 0.138 0.000 1.305 812 S CA -0.091 58.188 58.200 0.131 0.000 1.058 812 S CB 0.721 63.968 63.200 0.078 0.000 0.899 812 S HN 0.382 nan 8.310 nan 0.000 0.493 813 S N 3.397 119.204 115.700 0.179 0.000 2.469 813 S HA -0.097 4.365 4.470 -0.013 0.000 0.238 813 S C 0.992 175.650 174.600 0.096 0.000 0.998 813 S CA 0.854 59.182 58.200 0.212 0.000 0.957 813 S CB -0.357 63.041 63.200 0.331 0.000 0.764 813 S HN 0.795 nan 8.310 nan 0.000 0.514 814 D N 1.841 122.281 120.400 0.067 0.000 2.117 814 D HA -0.083 4.549 4.640 -0.013 0.000 0.197 814 D C 2.104 178.410 176.300 0.010 0.000 0.987 814 D CA 0.804 54.821 54.000 0.028 0.000 0.829 814 D CB -0.343 40.471 40.800 0.022 0.000 0.961 814 D HN 0.293 nan 8.370 nan 0.000 0.460 815 R N 0.790 121.298 120.500 0.013 0.000 2.073 815 R HA -0.088 4.245 4.340 -0.013 0.000 0.234 815 R C 1.918 178.210 176.300 -0.014 0.000 1.134 815 R CA 1.427 57.520 56.100 -0.012 0.000 0.952 815 R CB -0.809 29.471 30.300 -0.033 0.000 0.850 815 R HN 0.128 nan 8.270 nan 0.000 0.433 816 T N 2.223 116.792 114.554 0.025 0.000 2.635 816 T HA -0.136 4.206 4.350 -0.013 0.000 0.267 816 T C 1.927 176.624 174.700 -0.004 0.000 1.040 816 T CA 1.461 63.590 62.100 0.048 0.000 1.156 816 T CB -0.134 68.843 68.868 0.183 0.000 0.863 816 T HN 0.111 nan 8.240 nan 0.000 0.430 817 I N 1.621 122.120 120.570 -0.118 0.000 2.315 817 I HA -0.069 4.093 4.170 -0.013 0.000 0.248 817 I C 2.935 179.014 176.117 -0.065 0.000 1.117 817 I CA 0.903 62.103 61.300 -0.167 0.000 1.404 817 I CB -1.646 36.255 38.000 -0.165 0.000 1.071 817 I HN 0.195 nan 8.210 nan 0.000 0.419 818 A N 0.232 123.030 122.820 -0.037 0.000 1.940 818 A HA -0.248 4.064 4.320 -0.013 0.000 0.219 818 A C 2.261 179.804 177.584 -0.068 0.000 1.176 818 A CA 1.544 53.566 52.037 -0.026 0.000 0.631 818 A CB -0.561 18.429 19.000 -0.017 0.000 0.814 818 A HN 0.513 nan 8.150 nan 0.000 0.446 819 Q N -1.888 117.850 119.800 -0.103 0.000 2.049 819 Q HA -0.158 4.175 4.340 -0.013 0.000 0.198 819 Q C 1.957 177.782 176.000 -0.291 0.000 0.971 819 Q CA 1.614 57.314 55.803 -0.172 0.000 0.833 819 Q CB -0.311 28.316 28.738 -0.186 0.000 0.896 819 Q HN 0.816 nan 8.270 nan 0.000 0.434 820 Y N 0.629 120.639 120.300 -0.483 0.000 2.114 820 Y HA -0.310 4.232 4.550 -0.013 0.000 0.282 820 Y C 2.468 177.798 175.900 -0.950 0.000 1.165 820 Y CA 1.321 58.878 58.100 -0.905 0.000 1.148 820 Y CB -0.473 37.127 38.460 -1.434 0.000 0.972 820 Y HN 0.171 nan 8.280 nan 0.000 0.504 821 A N 0.256 122.856 122.820 -0.367 0.000 1.865 821 A HA -0.229 4.083 4.320 -0.013 0.000 0.217 821 A C 2.246 179.850 177.584 0.033 0.000 1.191 821 A CA 2.089 54.160 52.037 0.057 0.000 0.623 821 A CB -0.570 18.533 19.000 0.171 0.000 0.826 821 A HN 0.434 nan 8.150 nan 0.000 0.444 822 R N -0.790 119.687 120.500 -0.038 0.000 2.093 822 R HA -0.014 4.319 4.340 -0.013 0.000 0.224 822 R C 1.781 178.060 176.300 -0.035 0.000 1.101 822 R CA 1.431 57.520 56.100 -0.018 0.000 0.979 822 R CB -0.144 30.140 30.300 -0.027 0.000 0.877 822 R HN 0.656 nan 8.270 nan 0.000 0.441 823 E N -0.537 119.601 120.200 -0.103 0.000 2.415 823 E HA 0.107 4.449 4.350 -0.013 0.000 0.197 823 E C 1.379 177.932 176.600 -0.077 0.000 1.007 823 E CA 0.391 56.734 56.400 -0.095 0.000 0.890 823 E CB 0.588 30.203 29.700 -0.141 0.000 0.891 823 E HN 0.283 nan 8.360 nan 0.000 0.496 824 I N -1.206 119.287 120.570 -0.128 0.000 3.739 824 I HA 0.028 4.190 4.170 -0.013 0.000 0.272 824 I C 1.299 177.556 176.117 0.234 0.000 1.167 824 I CA -0.077 61.210 61.300 -0.021 0.000 1.386 824 I CB 0.237 38.089 38.000 -0.246 0.000 1.490 824 I HN 0.107 nan 8.210 nan 0.000 0.452 825 W N 1.570 122.964 121.300 0.156 0.000 2.658 825 W HA 0.315 4.967 4.660 -0.013 0.000 0.263 825 W C 1.530 178.086 176.519 0.062 0.000 1.274 825 W CA 0.851 58.269 57.345 0.122 0.000 1.343 825 W CB -1.064 28.455 29.460 0.099 0.000 1.106 825 W HN 0.326 nan 8.180 nan 0.000 0.615 826 G N 1.126 110.066 108.800 0.235 0.000 2.225 826 G HA2 -0.122 3.831 3.960 -0.013 0.000 0.264 826 G HA3 -0.122 3.831 3.960 -0.013 0.000 0.264 826 G C -0.277 174.696 174.900 0.121 0.000 1.060 826 G CA 0.260 45.438 45.100 0.130 0.000 0.833 826 G HN 0.394 nan 8.290 nan 0.000 0.498 827 V N -4.249 115.759 119.914 0.156 0.000 2.914 827 V HA 0.912 5.024 4.120 -0.013 0.000 0.314 827 V C -0.331 175.823 176.094 0.101 0.000 1.084 827 V CA -1.684 60.688 62.300 0.120 0.000 0.963 827 V CB 2.347 34.248 31.823 0.130 0.000 1.025 827 V HN 0.122 nan 8.190 nan 0.000 0.432 828 E N 3.772 124.014 120.200 0.070 0.000 2.134 828 E HA 0.504 4.847 4.350 -0.013 0.000 0.278 828 E C -2.498 174.138 176.600 0.061 0.000 0.959 828 E CA -1.752 54.683 56.400 0.057 0.000 0.783 828 E CB 1.778 31.503 29.700 0.042 0.000 1.095 828 E HN 0.743 nan 8.360 nan 0.000 0.399 829 P HA 0.073 nan 4.420 nan 0.000 0.269 829 P C -0.478 176.851 177.300 0.048 0.000 1.215 829 P CA -0.263 62.871 63.100 0.057 0.000 0.780 829 P CB 0.887 32.617 31.700 0.050 0.000 0.898 830 S N 0.874 116.604 115.700 0.050 0.000 2.575 830 S HA 0.338 4.800 4.470 -0.013 0.000 0.278 830 S C 0.422 175.047 174.600 0.041 0.000 1.139 830 S CA -0.754 57.473 58.200 0.046 0.000 0.954 830 S CB 1.042 64.276 63.200 0.056 0.000 1.054 830 S HN 0.273 nan 8.310 nan 0.000 0.483 831 R N 2.244 122.763 120.500 0.033 0.000 2.359 831 R HA 0.189 4.521 4.340 -0.013 0.000 0.231 831 R C -0.036 176.275 176.300 0.019 0.000 0.913 831 R CA 0.041 56.159 56.100 0.030 0.000 1.075 831 R CB 0.125 30.443 30.300 0.030 0.000 1.087 831 R HN 0.692 nan 8.270 nan 0.000 0.515 832 Q N 1.103 120.915 119.800 0.019 0.000 2.311 832 Q HA 0.075 4.407 4.340 -0.013 0.000 0.272 832 Q C -0.250 175.744 176.000 -0.010 0.000 1.012 832 Q CA 0.254 56.061 55.803 0.006 0.000 0.891 832 Q CB 0.794 29.540 28.738 0.013 0.000 1.201 832 Q HN -0.198 nan 8.270 nan 0.000 0.391 833 R N 1.640 122.125 120.500 -0.025 0.000 2.543 833 R HA 0.205 4.537 4.340 -0.013 0.000 0.277 833 R C -0.437 175.821 176.300 -0.070 0.000 1.074 833 R CA 0.034 56.105 56.100 -0.047 0.000 1.076 833 R CB 0.393 30.664 30.300 -0.049 0.000 0.993 833 R HN 0.497 nan 8.270 nan 0.000 0.459 834 L N 5.540 126.704 121.223 -0.098 0.000 2.375 834 L HA 0.367 4.700 4.340 -0.013 0.000 0.271 834 L C -1.694 175.114 176.870 -0.103 0.000 1.107 834 L CA -2.054 52.698 54.840 -0.147 0.000 0.806 834 L CB 1.088 43.026 42.059 -0.201 0.000 1.146 834 L HN 0.469 nan 8.230 nan 0.000 0.447 835 P HA 0.047 nan 4.420 nan 0.000 0.264 835 P C -0.575 176.693 177.300 -0.053 0.000 1.193 835 P CA -0.183 62.880 63.100 -0.061 0.000 0.763 835 P CB 0.775 32.445 31.700 -0.051 0.000 0.810 836 A N 0.000 122.797 122.820 -0.038 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.013 0.000 0.244 836 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 836 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486