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 2qln_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 0.000 175.985 176.000 -0.025 0.000 1.003 12 Q CA 0.000 55.776 55.803 -0.045 0.000 1.022 12 Q CB 0.000 28.705 28.738 -0.055 0.000 1.108 13 I N -0.873 119.687 120.570 -0.017 0.000 2.562 13 I HA 0.557 4.720 4.170 -0.012 0.000 0.301 13 I C 0.855 176.973 176.117 0.002 0.000 1.003 13 I CA -0.343 60.955 61.300 -0.004 0.000 1.127 13 I CB 2.043 40.045 38.000 0.003 0.000 1.304 13 I HN 0.151 nan 8.210 nan 0.000 0.446 14 S N 3.273 118.979 115.700 0.010 0.000 2.359 14 S HA -0.159 4.303 4.470 -0.012 0.000 0.224 14 S C 1.780 176.389 174.600 0.017 0.000 1.035 14 S CA 2.109 60.316 58.200 0.013 0.000 1.018 14 S CB -0.509 62.703 63.200 0.021 0.000 0.876 14 S HN 0.786 nan 8.310 nan 0.000 0.448 15 V N 0.047 119.978 119.914 0.028 0.000 2.867 15 V HA 0.072 4.184 4.120 -0.012 0.000 0.260 15 V C 1.954 178.063 176.094 0.024 0.000 1.099 15 V CA 1.452 63.772 62.300 0.033 0.000 1.122 15 V CB -0.984 30.865 31.823 0.045 0.000 0.708 15 V HN 0.371 nan 8.190 nan 0.000 0.490 16 R N 1.206 121.712 120.500 0.010 0.000 2.313 16 R HA 0.409 4.742 4.340 -0.012 0.000 0.199 16 R C 1.178 177.471 176.300 -0.013 0.000 0.958 16 R CA 0.591 56.691 56.100 -0.001 0.000 1.047 16 R CB -0.099 30.197 30.300 -0.008 0.000 0.955 16 R HN 0.789 nan 8.270 nan 0.000 0.481 17 G N 0.530 109.323 108.800 -0.013 0.000 2.685 17 G HA2 -0.208 3.745 3.960 -0.012 0.000 0.387 17 G HA3 -0.208 3.745 3.960 -0.012 0.000 0.387 17 G C -1.004 173.882 174.900 -0.023 0.000 1.324 17 G CA -1.072 44.013 45.100 -0.025 0.000 0.878 17 G HN -0.035 nan 8.290 nan 0.000 0.527 18 L N 0.546 121.752 121.223 -0.027 0.000 2.350 18 L HA 0.663 4.996 4.340 -0.012 0.000 0.275 18 L C 1.219 178.076 176.870 -0.021 0.000 1.099 18 L CA 0.447 55.274 54.840 -0.021 0.000 0.808 18 L CB 1.109 43.156 42.059 -0.020 0.000 1.149 18 L HN 1.549 nan 8.230 nan 0.000 0.442 19 A N 2.723 125.533 122.820 -0.016 0.000 3.056 19 A HA 0.585 4.898 4.320 -0.012 0.000 0.328 19 A C 0.629 178.211 177.584 -0.004 0.000 1.233 19 A CA -0.357 51.673 52.037 -0.011 0.000 0.965 19 A CB -0.214 18.779 19.000 -0.011 0.000 1.123 19 A HN 0.785 nan 8.150 nan 0.000 0.502 20 G N -0.163 108.635 108.800 -0.003 0.000 2.544 20 G HA2 0.361 4.314 3.960 -0.012 0.000 0.242 20 G HA3 0.361 4.314 3.960 -0.012 0.000 0.242 20 G C 1.018 175.923 174.900 0.009 0.000 1.247 20 G CA -0.076 45.025 45.100 0.003 0.000 0.840 20 G HN 0.425 nan 8.290 nan 0.000 0.578 21 V N 1.470 121.390 119.914 0.010 0.000 2.287 21 V HA -0.207 3.906 4.120 -0.012 0.000 0.248 21 V C 2.712 178.817 176.094 0.017 0.000 1.053 21 V CA 2.512 64.820 62.300 0.013 0.000 1.027 21 V CB -0.628 31.202 31.823 0.011 0.000 0.646 21 V HN 0.856 nan 8.190 nan 0.000 0.447 22 E N 0.325 120.535 120.200 0.018 0.000 2.051 22 E HA -0.214 4.128 4.350 -0.012 0.000 0.192 22 E C 2.039 178.660 176.600 0.035 0.000 0.991 22 E CA 1.816 58.231 56.400 0.024 0.000 0.799 22 E CB -0.245 29.468 29.700 0.022 0.000 0.748 22 E HN 0.641 nan 8.360 nan 0.000 0.449 23 N N -1.008 117.712 118.700 0.034 0.000 2.084 23 N HA -0.135 4.597 4.740 -0.012 0.000 0.190 23 N C 1.621 177.159 175.510 0.046 0.000 1.030 23 N CA 1.337 54.414 53.050 0.044 0.000 0.849 23 N CB 0.008 38.509 38.487 0.023 0.000 1.012 23 N HN -0.018 nan 8.380 nan 0.000 0.423 24 V N 0.138 120.070 119.914 0.030 0.000 2.343 24 V HA -0.242 3.871 4.120 -0.012 0.000 0.247 24 V C 2.040 178.154 176.094 0.034 0.000 1.051 24 V CA 1.897 64.213 62.300 0.027 0.000 1.036 24 V CB -0.910 30.924 31.823 0.019 0.000 0.654 24 V HN 0.426 nan 8.190 nan 0.000 0.451 25 T N -0.566 114.008 114.554 0.034 0.000 2.708 25 T HA -0.230 4.112 4.350 -0.012 0.000 0.266 25 T C 1.930 176.662 174.700 0.052 0.000 1.037 25 T CA 1.844 63.964 62.100 0.034 0.000 1.146 25 T CB -0.211 68.673 68.868 0.027 0.000 0.865 25 T HN 0.493 nan 8.240 nan 0.000 0.435 26 E N 0.962 121.200 120.200 0.064 0.000 2.077 26 E HA -0.030 4.312 4.350 -0.012 0.000 0.193 26 E C 2.045 178.719 176.600 0.123 0.000 0.989 26 E CA 0.935 57.386 56.400 0.085 0.000 0.800 26 E CB -0.516 29.239 29.700 0.091 0.000 0.746 26 E HN 0.443 nan 8.360 nan 0.000 0.452 27 L N 0.106 121.410 121.223 0.135 0.000 2.046 27 L HA -0.180 4.153 4.340 -0.012 0.000 0.208 27 L C 2.459 179.434 176.870 0.176 0.000 1.077 27 L CA 1.467 56.411 54.840 0.173 0.000 0.747 27 L CB -0.327 41.809 42.059 0.129 0.000 0.896 27 L HN 0.074 nan 8.230 nan 0.000 0.432 28 K N 0.464 120.927 120.400 0.105 0.000 2.057 28 K HA -0.203 4.110 4.320 -0.012 0.000 0.207 28 K C 2.122 178.817 176.600 0.158 0.000 1.049 28 K CA 1.702 58.039 56.287 0.083 0.000 0.931 28 K CB -0.051 32.460 32.500 0.017 0.000 0.714 28 K HN 0.395 nan 8.250 nan 0.000 0.440 29 K N 0.025 120.502 120.400 0.127 0.000 2.167 29 K HA -0.007 4.305 4.320 -0.012 0.000 0.203 29 K C 1.531 178.213 176.600 0.137 0.000 1.052 29 K CA 1.112 57.470 56.287 0.118 0.000 0.956 29 K CB -0.050 32.493 32.500 0.072 0.000 0.735 29 K HN -0.008 nan 8.250 nan 0.000 0.451 30 N N 0.587 119.380 118.700 0.154 0.000 2.270 30 N HA -0.102 4.630 4.740 -0.012 0.000 0.181 30 N C 1.555 177.206 175.510 0.234 0.000 1.016 30 N CA 0.888 54.019 53.050 0.136 0.000 0.870 30 N CB -0.216 38.364 38.487 0.154 0.000 0.979 30 N HN 0.211 nan 8.380 nan 0.000 0.431 31 F N 2.498 122.545 119.950 0.160 0.000 2.102 31 F HA -0.097 4.423 4.527 -0.012 0.000 0.298 31 F C 2.006 177.910 175.800 0.172 0.000 1.105 31 F CA 1.259 59.372 58.000 0.189 0.000 1.239 31 F CB -0.121 38.962 39.000 0.139 0.000 0.991 31 F HN -0.045 nan 8.300 nan 0.000 0.474 32 N N 0.467 119.408 118.700 0.402 0.000 2.244 32 N HA -0.170 4.562 4.740 -0.012 0.000 0.183 32 N C 1.994 177.586 175.510 0.136 0.000 1.016 32 N CA 1.033 54.237 53.050 0.257 0.000 0.866 32 N CB -0.520 38.094 38.487 0.212 0.000 0.980 32 N HN 0.376 nan 8.380 nan 0.000 0.430 33 R N 0.189 120.765 120.500 0.127 0.000 2.073 33 R HA -0.086 4.246 4.340 -0.012 0.000 0.234 33 R C 1.771 178.152 176.300 0.135 0.000 1.134 33 R CA 1.438 57.635 56.100 0.162 0.000 0.952 33 R CB -0.191 30.144 30.300 0.057 0.000 0.850 33 R HN 0.386 nan 8.270 nan 0.000 0.433 34 H N -0.444 118.666 119.070 0.067 0.000 2.389 34 H HA -0.118 4.430 4.556 -0.013 0.000 0.299 34 H C 1.893 177.154 175.328 -0.112 0.000 1.081 34 H CA 1.371 57.392 56.048 -0.045 0.000 1.345 34 H CB 0.100 29.796 29.762 -0.109 0.000 1.393 34 H HN 0.119 nan 8.280 nan 0.000 0.520 35 L N -0.037 121.165 121.223 -0.034 0.000 2.079 35 L HA -0.197 4.136 4.340 -0.012 0.000 0.210 35 L C 2.193 179.039 176.870 -0.040 0.000 1.081 35 L CA 1.846 56.640 54.840 -0.077 0.000 0.752 35 L CB -0.406 41.621 42.059 -0.053 0.000 0.896 35 L HN 0.304 nan 8.230 nan 0.000 0.433 36 H N -1.801 117.188 119.070 -0.135 0.000 2.276 36 H HA -0.061 4.487 4.556 -0.013 0.000 0.307 36 H C 1.816 176.953 175.328 -0.318 0.000 1.061 36 H CA 2.256 58.129 56.048 -0.292 0.000 1.336 36 H CB -0.281 29.195 29.762 -0.478 0.000 1.396 36 H HN 0.271 nan 8.280 nan 0.000 0.503 37 F N -0.410 119.536 119.950 -0.007 0.000 2.234 37 F HA -0.025 4.495 4.527 -0.013 0.000 0.296 37 F C 2.584 178.316 175.800 -0.114 0.000 1.089 37 F CA 1.379 59.330 58.000 -0.081 0.000 1.343 37 F CB -0.385 38.602 39.000 -0.022 0.000 1.040 37 F HN 0.188 nan 8.300 nan 0.000 0.498 38 T N -0.139 114.453 114.554 0.064 0.000 2.901 38 T HA 0.074 4.416 4.350 -0.012 0.000 0.252 38 T C 1.962 176.573 174.700 -0.147 0.000 1.035 38 T CA 0.830 62.891 62.100 -0.065 0.000 1.142 38 T CB -0.279 68.517 68.868 -0.121 0.000 0.869 38 T HN 0.104 nan 8.240 nan 0.000 0.442 39 L N 1.164 122.301 121.223 -0.143 0.000 2.529 39 L HA 0.201 4.534 4.340 -0.012 0.000 0.223 39 L C 0.351 177.129 176.870 -0.153 0.000 1.113 39 L CA -0.079 54.666 54.840 -0.159 0.000 0.861 39 L CB -0.018 41.954 42.059 -0.145 0.000 1.012 39 L HN -0.019 nan 8.230 nan 0.000 0.461 40 V N 0.544 120.351 119.914 -0.179 0.000 6.078 40 V HA -0.279 3.834 4.120 -0.012 0.000 0.301 40 V C -0.077 175.906 176.094 -0.185 0.000 0.571 40 V CA 1.103 63.271 62.300 -0.221 0.000 0.625 40 V CB -2.231 29.488 31.823 -0.172 0.000 0.271 40 V HN 0.434 nan 8.190 nan 0.000 0.788 41 K N 1.006 121.302 120.400 -0.172 0.000 2.509 41 K HA 0.705 5.018 4.320 -0.012 0.000 0.266 41 K C -0.572 175.992 176.600 -0.060 0.000 0.987 41 K CA -0.566 55.654 56.287 -0.112 0.000 0.868 41 K CB 2.857 35.291 32.500 -0.110 0.000 1.421 41 K HN 0.480 nan 8.250 nan 0.000 0.444 42 D N -0.325 120.064 120.400 -0.019 0.000 2.414 42 D HA 0.290 4.922 4.640 -0.012 0.000 0.241 42 D C 0.635 176.970 176.300 0.058 0.000 1.008 42 D CA -0.638 53.387 54.000 0.041 0.000 1.001 42 D CB 0.969 41.797 40.800 0.046 0.000 1.277 42 D HN 0.132 nan 8.370 nan 0.000 0.538 43 R N 0.025 120.592 120.500 0.113 0.000 2.249 43 R HA -0.037 4.296 4.340 -0.012 0.000 0.230 43 R C 1.001 177.378 176.300 0.127 0.000 1.121 43 R CA 0.517 56.724 56.100 0.178 0.000 0.997 43 R CB -0.655 29.753 30.300 0.180 0.000 0.867 43 R HN 0.510 nan 8.270 nan 0.000 0.465 44 N N 0.183 118.925 118.700 0.070 0.000 2.300 44 N HA -0.090 4.642 4.740 -0.012 0.000 0.179 44 N C 1.635 177.164 175.510 0.031 0.000 1.016 44 N CA 1.458 54.538 53.050 0.049 0.000 0.876 44 N CB 0.220 38.725 38.487 0.030 0.000 0.979 44 N HN 0.228 nan 8.380 nan 0.000 0.432 45 V N -2.812 117.107 119.914 0.008 0.000 3.528 45 V HA 0.538 4.651 4.120 -0.012 0.000 0.294 45 V C 0.712 176.771 176.094 -0.057 0.000 1.404 45 V CA -0.540 61.749 62.300 -0.017 0.000 1.065 45 V CB -0.287 31.521 31.823 -0.025 0.000 0.904 45 V HN 0.049 nan 8.190 nan 0.000 0.435 46 A N 2.214 124.977 122.820 -0.095 0.000 2.450 46 A HA 0.599 4.911 4.320 -0.012 0.000 0.255 46 A C 0.747 178.160 177.584 -0.286 0.000 1.096 46 A CA 0.668 52.538 52.037 -0.279 0.000 0.778 46 A CB -0.074 18.612 19.000 -0.523 0.000 1.031 46 A HN 0.783 nan 8.150 nan 0.000 0.494 47 T N 0.469 114.867 114.554 -0.260 0.000 2.927 47 T HA 0.521 4.863 4.350 -0.012 0.000 0.281 47 T C -2.033 172.583 174.700 -0.141 0.000 0.998 47 T CA -1.731 60.294 62.100 -0.126 0.000 1.019 47 T CB 1.056 69.893 68.868 -0.051 0.000 1.061 47 T HN 0.269 nan 8.240 nan 0.000 0.518 48 P HA -0.106 nan 4.420 nan 0.000 0.217 48 P C 1.583 178.984 177.300 0.168 0.000 1.148 48 P CA 0.953 64.181 63.100 0.214 0.000 0.828 48 P CB 0.047 31.842 31.700 0.158 0.000 0.783 49 R N 0.007 120.552 120.500 0.075 0.000 2.092 49 R HA -0.132 4.200 4.340 -0.012 0.000 0.231 49 R C 1.679 178.130 176.300 0.251 0.000 1.119 49 R CA 1.713 57.887 56.100 0.123 0.000 0.970 49 R CB -0.644 29.660 30.300 0.008 0.000 0.864 49 R HN 0.104 nan 8.270 nan 0.000 0.440 50 D N -0.294 120.149 120.400 0.072 0.000 2.123 50 D HA -0.199 4.433 4.640 -0.012 0.000 0.196 50 D C 1.715 178.029 176.300 0.024 0.000 0.992 50 D CA 1.359 55.357 54.000 -0.003 0.000 0.833 50 D CB -0.301 40.355 40.800 -0.239 0.000 0.954 50 D HN 0.312 nan 8.370 nan 0.000 0.455 51 Y N 0.103 120.502 120.300 0.165 0.000 2.242 51 Y HA -0.196 4.346 4.550 -0.012 0.000 0.291 51 Y C 2.325 178.357 175.900 0.220 0.000 1.137 51 Y CA 0.275 58.516 58.100 0.234 0.000 1.181 51 Y CB -1.143 37.511 38.460 0.323 0.000 0.989 51 Y HN 0.087 nan 8.280 nan 0.000 0.527 52 Y N -0.454 119.978 120.300 0.221 0.000 2.097 52 Y HA -0.297 4.245 4.550 -0.013 0.000 0.282 52 Y C 2.014 177.890 175.900 -0.040 0.000 1.152 52 Y CA 1.390 59.520 58.100 0.049 0.000 1.136 52 Y CB -1.162 37.224 38.460 -0.124 0.000 0.975 52 Y HN 0.051 nan 8.280 nan 0.000 0.498 53 F N 0.222 119.953 119.950 -0.365 0.000 2.171 53 F HA -0.158 4.362 4.527 -0.012 0.000 0.300 53 F C 2.650 178.275 175.800 -0.292 0.000 1.090 53 F CA 1.262 58.987 58.000 -0.458 0.000 1.293 53 F CB -0.763 38.150 39.000 -0.145 0.000 1.013 53 F HN 0.217 nan 8.300 nan 0.000 0.486 54 A N -0.157 122.607 122.820 -0.092 0.000 1.902 54 A HA -0.190 4.123 4.320 -0.012 0.000 0.217 54 A C 2.045 179.500 177.584 -0.215 0.000 1.181 54 A CA 1.607 53.464 52.037 -0.300 0.000 0.623 54 A CB -0.991 17.520 19.000 -0.815 0.000 0.818 54 A HN 0.357 nan 8.150 nan 0.000 0.443 55 L N -0.246 120.963 121.223 -0.024 0.000 2.027 55 L HA -0.012 4.320 4.340 -0.012 0.000 0.206 55 L C 2.680 179.538 176.870 -0.021 0.000 1.074 55 L CA 2.184 57.138 54.840 0.189 0.000 0.745 55 L CB -0.968 41.272 42.059 0.303 0.000 0.898 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.054 121.578 122.820 -0.314 0.000 1.892 56 A HA -0.315 3.997 4.320 -0.012 0.000 0.218 56 A C 2.170 179.407 177.584 -0.578 0.000 1.188 56 A CA 2.197 53.922 52.037 -0.520 0.000 0.631 56 A CB -1.219 17.151 19.000 -1.050 0.000 0.822 56 A HN 0.697 nan 8.150 nan 0.000 0.447 57 H N -0.876 117.885 119.070 -0.515 0.000 2.387 57 H HA -0.061 4.488 4.556 -0.012 0.000 0.299 57 H C 2.355 177.442 175.328 -0.401 0.000 1.090 57 H CA 1.956 57.633 56.048 -0.619 0.000 1.332 57 H CB -0.155 28.974 29.762 -1.054 0.000 1.386 57 H HN 0.486 nan 8.280 nan 0.000 0.516 58 T N -0.367 114.169 114.554 -0.030 0.000 2.746 58 T HA -0.131 4.211 4.350 -0.012 0.000 0.267 58 T C 2.258 177.134 174.700 0.293 0.000 1.039 58 T CA 1.318 63.576 62.100 0.264 0.000 1.142 58 T CB -0.378 68.699 68.868 0.347 0.000 0.866 58 T HN 0.096 nan 8.240 nan 0.000 0.444 59 V N 1.571 121.618 119.914 0.222 0.000 2.358 59 V HA -0.118 3.994 4.120 -0.012 0.000 0.246 59 V C 2.644 178.919 176.094 0.301 0.000 1.047 59 V CA 1.529 63.994 62.300 0.276 0.000 1.035 59 V CB -0.626 31.353 31.823 0.260 0.000 0.658 59 V HN 0.371 nan 8.190 nan 0.000 0.452 60 R N 0.249 120.874 120.500 0.209 0.000 2.117 60 R HA -0.234 4.098 4.340 -0.012 0.000 0.243 60 R C 1.948 178.355 176.300 0.180 0.000 1.143 60 R CA 2.169 58.385 56.100 0.193 0.000 0.968 60 R CB -0.467 29.785 30.300 -0.080 0.000 0.863 60 R HN 0.482 nan 8.270 nan 0.000 0.444 61 D N -0.184 120.314 120.400 0.164 0.000 2.158 61 D HA -0.179 4.454 4.640 -0.012 0.000 0.197 61 D C 1.746 178.072 176.300 0.043 0.000 0.995 61 D CA 1.188 55.255 54.000 0.112 0.000 0.846 61 D CB -0.417 40.444 40.800 0.101 0.000 0.941 61 D HN 0.477 nan 8.370 nan 0.000 0.456 62 H N -0.358 118.778 119.070 0.110 0.000 2.495 62 H HA 0.046 4.595 4.556 -0.012 0.000 0.287 62 H C 2.193 177.564 175.328 0.071 0.000 1.033 62 H CA 0.378 56.474 56.048 0.080 0.000 1.307 62 H CB 0.256 30.058 29.762 0.065 0.000 1.401 62 H HN 0.200 nan 8.280 nan 0.000 0.555 63 L N -0.088 121.248 121.223 0.189 0.000 2.240 63 L HA -0.096 4.237 4.340 -0.012 0.000 0.211 63 L C 2.490 179.471 176.870 0.184 0.000 1.106 63 L CA 0.168 55.083 54.840 0.125 0.000 0.793 63 L CB -0.019 42.078 42.059 0.063 0.000 0.927 63 L HN 0.030 nan 8.230 nan 0.000 0.446 64 V N 0.092 120.129 119.914 0.206 0.000 2.261 64 V HA -0.226 3.886 4.120 -0.012 0.000 0.246 64 V C 2.627 178.833 176.094 0.187 0.000 1.047 64 V CA 2.123 64.576 62.300 0.254 0.000 1.015 64 V CB -1.297 30.633 31.823 0.177 0.000 0.642 64 V HN 0.555 nan 8.190 nan 0.000 0.446 65 G N -0.184 108.680 108.800 0.108 0.000 2.446 65 G HA2 -0.279 3.674 3.960 -0.012 0.000 0.217 65 G HA3 -0.279 3.674 3.960 -0.012 0.000 0.217 65 G C 1.740 176.686 174.900 0.076 0.000 1.168 65 G CA 0.991 46.131 45.100 0.066 0.000 0.771 65 G HN 0.454 nan 8.290 nan 0.000 0.551 66 R N -1.458 119.096 120.500 0.091 0.000 2.096 66 R HA -0.080 4.252 4.340 -0.012 0.000 0.235 66 R C 2.266 178.647 176.300 0.135 0.000 1.127 66 R CA 1.201 57.343 56.100 0.071 0.000 0.968 66 R CB -0.365 29.960 30.300 0.043 0.000 0.861 66 R HN 0.487 nan 8.270 nan 0.000 0.440 67 W N 1.525 122.808 121.300 -0.030 0.000 2.355 67 W HA -0.068 4.585 4.660 -0.012 0.000 0.309 67 W C 1.706 178.201 176.519 -0.040 0.000 1.206 67 W CA 0.931 58.257 57.345 -0.032 0.000 1.284 67 W CB -0.577 28.881 29.460 -0.003 0.000 1.145 67 W HN -0.032 nan 8.180 nan 0.000 0.502 68 I N 1.015 121.641 120.570 0.093 0.000 2.226 68 I HA -0.339 3.824 4.170 -0.012 0.000 0.245 68 I C 2.698 178.799 176.117 -0.025 0.000 1.100 68 I CA 2.017 63.291 61.300 -0.044 0.000 1.374 68 I CB -0.656 37.321 38.000 -0.039 0.000 1.057 68 I HN -0.019 nan 8.210 nan 0.000 0.413 69 R N 0.435 120.935 120.500 -0.001 0.000 2.115 69 R HA -0.053 4.279 4.340 -0.012 0.000 0.226 69 R C 1.913 178.178 176.300 -0.058 0.000 1.100 69 R CA 1.532 57.620 56.100 -0.019 0.000 0.980 69 R CB -1.140 29.150 30.300 -0.018 0.000 0.875 69 R HN 0.170 nan 8.270 nan 0.000 0.445 70 T N 1.596 116.095 114.554 -0.091 0.000 2.708 70 T HA -0.101 4.241 4.350 -0.012 0.000 0.266 70 T C 1.814 176.264 174.700 -0.417 0.000 1.037 70 T CA 1.345 63.282 62.100 -0.272 0.000 1.146 70 T CB -0.110 68.637 68.868 -0.202 0.000 0.865 70 T HN 0.242 nan 8.240 nan 0.000 0.435 71 Q N 1.283 120.988 119.800 -0.158 0.000 2.119 71 Q HA -0.123 4.209 4.340 -0.012 0.000 0.201 71 Q C 2.550 178.575 176.000 0.041 0.000 0.972 71 Q CA 1.309 57.096 55.803 -0.028 0.000 0.847 71 Q CB -0.508 28.236 28.738 0.011 0.000 0.903 71 Q HN 0.818 nan 8.270 nan 0.000 0.433 72 Q N -0.667 119.142 119.800 0.014 0.000 2.167 72 Q HA -0.200 4.133 4.340 -0.012 0.000 0.202 72 Q C 1.787 177.870 176.000 0.138 0.000 0.970 72 Q CA 1.570 57.419 55.803 0.077 0.000 0.855 72 Q CB -0.557 28.200 28.738 0.031 0.000 0.911 72 Q HN 0.433 nan 8.270 nan 0.000 0.438 73 H N 0.245 119.290 119.070 -0.041 0.000 2.319 73 H HA -0.180 4.369 4.556 -0.012 0.000 0.299 73 H C 1.226 176.613 175.328 0.098 0.000 1.092 73 H CA 2.205 58.235 56.048 -0.030 0.000 1.302 73 H CB -0.220 29.454 29.762 -0.147 0.000 1.373 73 H HN 0.309 nan 8.280 nan 0.000 0.497 74 Y N -1.035 119.310 120.300 0.074 0.000 2.274 74 Y HA -0.191 4.351 4.550 -0.013 0.000 0.290 74 Y C 2.434 178.360 175.900 0.043 0.000 1.145 74 Y CA 1.067 59.182 58.100 0.024 0.000 1.203 74 Y CB -1.344 37.186 38.460 0.116 0.000 0.984 74 Y HN 0.367 nan 8.280 nan 0.000 0.533 75 Y N 1.217 121.598 120.300 0.135 0.000 2.200 75 Y HA -0.177 4.366 4.550 -0.013 0.000 0.290 75 Y C 2.119 178.028 175.900 0.015 0.000 1.137 75 Y CA 1.741 59.883 58.100 0.070 0.000 1.163 75 Y CB -0.003 38.491 38.460 0.057 0.000 0.988 75 Y HN 0.015 nan 8.280 nan 0.000 0.518 76 E N 0.355 120.580 120.200 0.042 0.000 2.072 76 E HA -0.142 4.200 4.350 -0.012 0.000 0.190 76 E C 1.971 178.492 176.600 -0.132 0.000 0.982 76 E CA 1.182 57.547 56.400 -0.058 0.000 0.803 76 E CB -0.226 29.488 29.700 0.023 0.000 0.755 76 E HN 0.503 nan 8.360 nan 0.000 0.453 77 K N 0.628 120.929 120.400 -0.164 0.000 2.305 77 K HA -0.066 4.247 4.320 -0.012 0.000 0.199 77 K C -0.058 176.476 176.600 -0.110 0.000 1.047 77 K CA 0.380 56.570 56.287 -0.162 0.000 0.976 77 K CB 0.050 32.385 32.500 -0.275 0.000 0.765 77 K HN -0.020 nan 8.250 nan 0.000 0.474 78 D N 1.212 121.554 120.400 -0.098 0.000 2.735 78 D HA -0.104 4.529 4.640 -0.012 0.000 0.235 78 D C -2.435 173.830 176.300 -0.059 0.000 1.175 78 D CA 0.080 54.030 54.000 -0.083 0.000 0.683 78 D CB -0.048 40.673 40.800 -0.132 0.000 1.008 78 D HN 0.167 nan 8.370 nan 0.000 0.416 79 P HA 0.126 nan 4.420 nan 0.000 0.277 79 P C -0.177 177.079 177.300 -0.073 0.000 1.271 79 P CA -0.653 62.410 63.100 -0.061 0.000 0.795 79 P CB 0.637 32.292 31.700 -0.074 0.000 1.101 80 K N 1.131 121.492 120.400 -0.065 0.000 2.451 80 K HA 0.032 4.344 4.320 -0.012 0.000 0.280 80 K C 0.130 176.643 176.600 -0.144 0.000 1.020 80 K CA -0.038 56.203 56.287 -0.076 0.000 1.008 80 K CB 0.283 32.756 32.500 -0.046 0.000 0.917 80 K HN 0.303 nan 8.250 nan 0.000 0.478 81 R N 4.470 124.870 120.500 -0.166 0.000 2.407 81 R HA 0.365 4.698 4.340 -0.012 0.000 0.303 81 R C -0.237 175.792 176.300 -0.451 0.000 0.981 81 R CA -0.866 55.052 56.100 -0.303 0.000 0.905 81 R CB 0.856 30.991 30.300 -0.274 0.000 1.099 81 R HN 0.504 nan 8.270 nan 0.000 0.459 82 I N 3.542 123.781 120.570 -0.552 0.000 2.336 82 I HA 0.268 4.430 4.170 -0.012 0.000 0.292 82 I C -0.466 175.326 176.117 -0.542 0.000 0.991 82 I CA -0.983 59.950 61.300 -0.611 0.000 1.227 82 I CB 0.554 38.072 38.000 -0.804 0.000 1.366 82 I HN 0.445 nan 8.210 nan 0.000 0.466 83 Y N 5.779 126.038 120.300 -0.068 0.000 2.356 83 Y HA 0.287 4.829 4.550 -0.012 0.000 0.334 83 Y C -0.287 175.704 175.900 0.151 0.000 0.958 83 Y CA -0.726 57.453 58.100 0.131 0.000 1.196 83 Y CB 1.104 39.599 38.460 0.058 0.000 1.137 83 Y HN 0.401 nan 8.280 nan 0.000 0.485 84 Y N 4.535 125.004 120.300 0.282 0.000 2.535 84 Y HA 0.451 4.993 4.550 -0.012 0.000 0.349 84 Y C -1.135 175.025 175.900 0.434 0.000 0.992 84 Y CA -0.878 57.402 58.100 0.300 0.000 1.248 84 Y CB 0.250 38.890 38.460 0.300 0.000 1.124 84 Y HN 0.519 nan 8.280 nan 0.000 0.520 85 L N 5.030 126.292 121.223 0.065 0.000 2.265 85 L HA 0.442 4.775 4.340 -0.012 0.000 0.288 85 L C -0.172 176.716 176.870 0.029 0.000 1.058 85 L CA 0.230 55.169 54.840 0.165 0.000 0.809 85 L CB 1.207 43.331 42.059 0.109 0.000 1.179 85 L HN 0.565 nan 8.230 nan 0.000 0.429 86 S N 2.726 118.529 115.700 0.172 0.000 2.541 86 S HA 0.478 4.941 4.470 -0.012 0.000 0.271 86 S C 0.361 175.047 174.600 0.144 0.000 1.133 86 S CA -0.634 57.563 58.200 -0.004 0.000 0.876 86 S CB 1.043 64.001 63.200 -0.402 0.000 1.105 86 S HN 0.485 nan 8.310 nan 0.000 0.470 87 L N 2.405 123.745 121.223 0.196 0.000 2.558 87 L HA 0.371 4.704 4.340 -0.012 0.000 0.225 87 L C 0.182 177.246 176.870 0.323 0.000 1.128 87 L CA 1.157 56.184 54.840 0.312 0.000 0.868 87 L CB -0.749 41.517 42.059 0.344 0.000 1.006 87 L HN 0.699 nan 8.230 nan 0.000 0.454 88 E N -0.802 119.456 120.200 0.097 0.000 2.275 88 E HA 0.380 4.722 4.350 -0.012 0.000 0.270 88 E C -1.510 174.956 176.600 -0.223 0.000 0.882 88 E CA -0.376 56.064 56.400 0.066 0.000 0.758 88 E CB 2.037 31.760 29.700 0.039 0.000 1.195 88 E HN -0.149 nan 8.360 nan 0.000 0.419 89 F N 2.249 122.307 119.950 0.180 0.000 2.716 89 F HA 0.174 4.694 4.527 -0.013 0.000 0.354 89 F C -0.782 175.103 175.800 0.143 0.000 1.168 89 F CA -0.799 57.292 58.000 0.151 0.000 1.045 89 F CB 0.952 40.031 39.000 0.131 0.000 1.311 89 F HN 0.490 nan 8.300 nan 0.000 0.477 90 Y N 5.289 125.658 120.300 0.115 0.000 2.632 90 Y HA 0.218 4.761 4.550 -0.012 0.000 0.336 90 Y C 0.902 176.815 175.900 0.022 0.000 1.237 90 Y CA -1.022 57.097 58.100 0.031 0.000 1.595 90 Y CB 0.322 38.781 38.460 -0.001 0.000 1.508 90 Y HN 0.555 nan 8.280 nan 0.000 0.480 91 M N 1.525 121.255 119.600 0.216 0.000 2.334 91 M HA 0.117 4.589 4.480 -0.012 0.000 0.266 91 M C 1.584 177.850 176.300 -0.056 0.000 1.082 91 M CA 1.101 56.430 55.300 0.049 0.000 1.141 91 M CB -1.185 31.422 32.600 0.011 0.000 1.380 91 M HN 0.692 nan 8.290 nan 0.000 0.440 92 G N 1.208 109.987 108.800 -0.035 0.000 2.539 92 G HA2 -0.274 3.678 3.960 -0.012 0.000 0.256 92 G HA3 -0.274 3.678 3.960 -0.012 0.000 0.256 92 G C -0.232 174.618 174.900 -0.083 0.000 1.233 92 G CA -0.279 44.762 45.100 -0.098 0.000 0.936 92 G HN 0.436 nan 8.290 nan 0.000 0.571 93 R N -0.621 119.811 120.500 -0.113 0.000 2.531 93 R HA 0.571 4.903 4.340 -0.012 0.000 0.273 93 R C 1.087 177.269 176.300 -0.197 0.000 1.070 93 R CA 0.310 56.354 56.100 -0.094 0.000 1.112 93 R CB 0.765 31.018 30.300 -0.079 0.000 1.049 93 R HN 0.525 nan 8.270 nan 0.000 0.508 94 T N 1.200 115.589 114.554 -0.275 0.000 2.978 94 T HA -0.010 4.332 4.350 -0.012 0.000 0.248 94 T C 1.454 175.776 174.700 -0.630 0.000 1.018 94 T CA -0.105 61.623 62.100 -0.620 0.000 1.026 94 T CB 0.123 68.261 68.868 -1.217 0.000 1.032 94 T HN 0.326 nan 8.240 nan 0.000 0.485 95 L N 1.907 122.975 121.223 -0.258 0.000 1.970 95 L HA -0.041 4.291 4.340 -0.012 0.000 0.212 95 L C 2.474 179.313 176.870 -0.051 0.000 1.071 95 L CA 2.011 56.861 54.840 0.016 0.000 0.751 95 L CB -0.648 41.632 42.059 0.369 0.000 0.889 95 L HN 0.181 nan 8.230 nan 0.000 0.432 96 Q N -0.778 118.988 119.800 -0.056 0.000 2.084 96 Q HA -0.248 4.084 4.340 -0.012 0.000 0.202 96 Q C 2.226 178.155 176.000 -0.119 0.000 0.978 96 Q CA 1.802 57.564 55.803 -0.068 0.000 0.844 96 Q CB -0.306 28.389 28.738 -0.071 0.000 0.898 96 Q HN 0.703 nan 8.270 nan 0.000 0.426 97 N N -0.976 117.613 118.700 -0.185 0.000 2.104 97 N HA -0.148 4.584 4.740 -0.012 0.000 0.190 97 N C 1.354 176.754 175.510 -0.182 0.000 1.024 97 N CA 1.791 54.720 53.050 -0.201 0.000 0.853 97 N CB 0.070 38.403 38.487 -0.258 0.000 1.008 97 N HN 0.225 nan 8.380 nan 0.000 0.424 98 T N 1.290 115.703 114.554 -0.235 0.000 2.777 98 T HA -0.057 4.286 4.350 -0.012 0.000 0.266 98 T C 2.072 176.711 174.700 -0.103 0.000 1.040 98 T CA 1.050 63.031 62.100 -0.199 0.000 1.141 98 T CB -0.074 68.629 68.868 -0.275 0.000 0.868 98 T HN 0.262 nan 8.240 nan 0.000 0.444 99 M N 0.620 120.176 119.600 -0.073 0.000 2.117 99 M HA -0.099 4.374 4.480 -0.012 0.000 0.262 99 M C 2.486 178.755 176.300 -0.053 0.000 1.065 99 M CA 1.298 56.568 55.300 -0.049 0.000 1.114 99 M CB -0.701 31.885 32.600 -0.022 0.000 1.361 99 M HN 0.099 nan 8.290 nan 0.000 0.408 100 V N 0.994 120.881 119.914 -0.044 0.000 2.287 100 V HA -0.281 3.831 4.120 -0.012 0.000 0.248 100 V C 1.785 177.897 176.094 0.030 0.000 1.053 100 V CA 2.002 64.303 62.300 0.001 0.000 1.027 100 V CB -0.887 30.935 31.823 -0.001 0.000 0.646 100 V HN 0.477 nan 8.190 nan 0.000 0.447 101 N N -0.407 118.295 118.700 0.004 0.000 2.459 101 N HA -0.034 4.699 4.740 -0.012 0.000 0.181 101 N C 1.097 176.522 175.510 -0.143 0.000 1.046 101 N CA 0.682 53.721 53.050 -0.018 0.000 0.904 101 N CB -0.086 38.394 38.487 -0.011 0.000 0.964 101 N HN 0.288 nan 8.380 nan 0.000 0.444 102 L N -0.268 120.885 121.223 -0.116 0.000 2.640 102 L HA 0.396 4.728 4.340 -0.012 0.000 0.230 102 L C 0.625 177.415 176.870 -0.135 0.000 1.123 102 L CA -0.186 54.581 54.840 -0.121 0.000 0.900 102 L CB -0.705 41.301 42.059 -0.088 0.000 1.146 102 L HN 0.102 nan 8.230 nan 0.000 0.484 103 A N -0.612 122.129 122.820 -0.132 0.000 2.869 103 A HA -0.215 4.098 4.320 -0.012 0.000 0.280 103 A C 1.053 178.581 177.584 -0.092 0.000 1.458 103 A CA 0.925 52.896 52.037 -0.111 0.000 0.776 103 A CB -1.981 16.940 19.000 -0.133 0.000 1.028 103 A HN 0.210 nan 8.150 nan 0.000 0.547 104 L N -0.774 120.394 121.223 -0.092 0.000 2.664 104 L HA 0.246 4.579 4.340 -0.012 0.000 0.233 104 L C 1.859 178.693 176.870 -0.060 0.000 1.113 104 L CA 1.549 56.328 54.840 -0.101 0.000 0.896 104 L CB -0.291 41.678 42.059 -0.149 0.000 1.163 104 L HN 0.629 nan 8.230 nan 0.000 0.497 105 E N -0.126 120.048 120.200 -0.042 0.000 2.038 105 E HA -0.234 4.109 4.350 -0.012 0.000 0.195 105 E C 1.595 178.183 176.600 -0.020 0.000 1.000 105 E CA 1.371 57.757 56.400 -0.024 0.000 0.803 105 E CB 0.256 29.944 29.700 -0.020 0.000 0.750 105 E HN 0.397 nan 8.360 nan 0.000 0.448 106 N N 0.064 118.750 118.700 -0.025 0.000 2.188 106 N HA -0.115 4.617 4.740 -0.012 0.000 0.184 106 N C 1.553 177.051 175.510 -0.021 0.000 1.018 106 N CA 1.196 54.232 53.050 -0.024 0.000 0.858 106 N CB -0.372 38.100 38.487 -0.025 0.000 0.989 106 N HN 0.220 nan 8.380 nan 0.000 0.426 107 A N 0.471 123.277 122.820 -0.024 0.000 1.877 107 A HA -0.159 4.154 4.320 -0.012 0.000 0.216 107 A C 2.683 180.262 177.584 -0.007 0.000 1.186 107 A CA 1.440 53.467 52.037 -0.018 0.000 0.620 107 A CB -1.076 17.905 19.000 -0.031 0.000 0.822 107 A HN 0.441 nan 8.150 nan 0.000 0.443 108 C N -0.812 118.483 119.300 -0.008 0.000 2.429 108 C HA -0.085 4.368 4.460 -0.012 0.000 0.277 108 C C 2.502 177.497 174.990 0.008 0.000 1.262 108 C CA 1.114 60.138 59.018 0.011 0.000 1.733 108 C CB -1.149 26.608 27.740 0.028 0.000 2.010 108 C HN 0.680 nan 8.230 nan 0.000 0.483 109 D N 0.600 121.004 120.400 0.006 0.000 2.104 109 D HA -0.153 4.480 4.640 -0.012 0.000 0.194 109 D C 2.120 178.436 176.300 0.026 0.000 0.994 109 D CA 1.597 55.602 54.000 0.008 0.000 0.830 109 D CB -0.274 40.518 40.800 -0.013 0.000 0.959 109 D HN 0.488 nan 8.370 nan 0.000 0.452 110 E N 0.264 120.474 120.200 0.017 0.000 2.047 110 E HA -0.047 4.296 4.350 -0.012 0.000 0.191 110 E C 1.887 178.525 176.600 0.063 0.000 0.987 110 E CA 1.566 57.997 56.400 0.052 0.000 0.799 110 E CB -0.530 29.184 29.700 0.024 0.000 0.752 110 E HN 0.211 nan 8.360 nan 0.000 0.449 111 A N -0.098 122.728 122.820 0.009 0.000 1.883 111 A HA -0.214 4.099 4.320 -0.012 0.000 0.217 111 A C 2.491 180.003 177.584 -0.121 0.000 1.186 111 A CA 2.839 54.853 52.037 -0.038 0.000 0.624 111 A CB -1.445 17.539 19.000 -0.027 0.000 0.822 111 A HN 0.516 nan 8.150 nan 0.000 0.444 112 T N -3.751 110.728 114.554 -0.125 0.000 2.857 112 T HA -0.200 4.143 4.350 -0.012 0.000 0.266 112 T C 1.854 176.478 174.700 -0.128 0.000 1.048 112 T CA 1.486 63.456 62.100 -0.217 0.000 1.139 112 T CB -0.592 68.189 68.868 -0.145 0.000 0.874 112 T HN 0.455 nan 8.240 nan 0.000 0.455 113 Y N 2.253 122.475 120.300 -0.130 0.000 2.128 113 Y HA -0.113 4.430 4.550 -0.012 0.000 0.284 113 Y C 2.621 178.460 175.900 -0.101 0.000 1.154 113 Y CA 1.607 59.648 58.100 -0.097 0.000 1.149 113 Y CB -0.555 37.867 38.460 -0.063 0.000 0.976 113 Y HN 0.257 nan 8.280 nan 0.000 0.505 114 Q N -0.934 118.770 119.800 -0.160 0.000 2.224 114 Q HA -0.125 4.207 4.340 -0.012 0.000 0.203 114 Q C 1.578 177.437 176.000 -0.236 0.000 0.970 114 Q CA 0.935 56.606 55.803 -0.220 0.000 0.865 114 Q CB -0.085 28.606 28.738 -0.078 0.000 0.922 114 Q HN 0.354 nan 8.270 nan 0.000 0.445 115 L N -0.867 120.206 121.223 -0.250 0.000 2.599 115 L HA 0.119 4.452 4.340 -0.012 0.000 0.230 115 L C 1.132 177.836 176.870 -0.277 0.000 1.141 115 L CA 1.277 55.955 54.840 -0.270 0.000 0.877 115 L CB -0.411 41.403 42.059 -0.408 0.000 1.009 115 L HN 0.327 nan 8.230 nan 0.000 0.447 116 G N -0.333 108.288 108.800 -0.297 0.000 2.149 116 G HA2 -0.237 3.716 3.960 -0.012 0.000 0.235 116 G HA3 -0.237 3.716 3.960 -0.012 0.000 0.235 116 G C 0.027 174.797 174.900 -0.217 0.000 1.018 116 G CA 0.235 45.177 45.100 -0.264 0.000 0.728 116 G HN 0.277 nan 8.290 nan 0.000 0.508 117 L N -0.394 120.703 121.223 -0.210 0.000 2.341 117 L HA 0.653 4.986 4.340 -0.012 0.000 0.267 117 L C -0.643 176.207 176.870 -0.033 0.000 1.009 117 L CA -1.196 53.553 54.840 -0.153 0.000 0.819 117 L CB 1.974 43.880 42.059 -0.254 0.000 1.323 117 L HN 0.089 nan 8.230 nan 0.000 0.425 118 D N 1.618 122.025 120.400 0.011 0.000 2.373 118 D HA 0.224 4.857 4.640 -0.012 0.000 0.227 118 D C 0.605 176.938 176.300 0.056 0.000 1.091 118 D CA -0.273 53.759 54.000 0.052 0.000 0.840 118 D CB 1.549 42.384 40.800 0.058 0.000 1.060 118 D HN 0.494 nan 8.370 nan 0.000 0.502 119 M N 2.979 122.612 119.600 0.055 0.000 2.159 119 M HA -0.136 4.337 4.480 -0.012 0.000 0.263 119 M C 1.299 177.643 176.300 0.073 0.000 1.063 119 M CA 1.534 56.875 55.300 0.068 0.000 1.110 119 M CB 0.196 32.829 32.600 0.055 0.000 1.374 119 M HN 0.449 nan 8.290 nan 0.000 0.411 120 E N -0.248 119.985 120.200 0.055 0.000 2.110 120 E HA -0.258 4.085 4.350 -0.012 0.000 0.193 120 E C 1.848 178.482 176.600 0.056 0.000 0.988 120 E CA 1.386 57.815 56.400 0.049 0.000 0.804 120 E CB -0.189 29.536 29.700 0.041 0.000 0.745 120 E HN 0.642 nan 8.360 nan 0.000 0.458 121 E N 0.475 120.713 120.200 0.063 0.000 2.072 121 E HA -0.197 4.146 4.350 -0.012 0.000 0.191 121 E C 1.950 178.593 176.600 0.070 0.000 0.985 121 E CA 0.619 57.058 56.400 0.065 0.000 0.801 121 E CB 0.172 29.913 29.700 0.068 0.000 0.750 121 E HN 0.069 nan 8.360 nan 0.000 0.452 122 L N 1.428 122.714 121.223 0.104 0.000 2.083 122 L HA -0.144 4.189 4.340 -0.012 0.000 0.209 122 L C 2.088 179.020 176.870 0.103 0.000 1.083 122 L CA 1.640 56.573 54.840 0.155 0.000 0.752 122 L CB -0.775 41.427 42.059 0.238 0.000 0.899 122 L HN 0.147 nan 8.230 nan 0.000 0.433 123 E N -0.662 119.591 120.200 0.088 0.000 2.118 123 E HA -0.208 4.135 4.350 -0.012 0.000 0.195 123 E C 1.851 178.416 176.600 -0.058 0.000 0.992 123 E CA 0.886 57.310 56.400 0.041 0.000 0.804 123 E CB 0.006 29.733 29.700 0.044 0.000 0.741 123 E HN 0.403 nan 8.360 nan 0.000 0.458 124 E N 0.195 120.374 120.200 -0.034 0.000 2.409 124 E HA -0.118 4.224 4.350 -0.012 0.000 0.198 124 E C 1.817 178.355 176.600 -0.103 0.000 1.024 124 E CA 0.572 56.950 56.400 -0.035 0.000 0.861 124 E CB 0.042 29.757 29.700 0.025 0.000 0.788 124 E HN 0.410 nan 8.360 nan 0.000 0.521 125 I N 0.722 121.165 120.570 -0.213 0.000 2.716 125 I HA -0.090 4.073 4.170 -0.012 0.000 0.259 125 I C 1.334 177.135 176.117 -0.527 0.000 1.172 125 I CA 0.191 61.294 61.300 -0.328 0.000 1.478 125 I CB 0.153 37.961 38.000 -0.320 0.000 1.104 125 I HN -0.043 nan 8.210 nan 0.000 0.439 126 E N 2.704 122.486 120.200 -0.697 0.000 2.376 126 E HA -0.026 4.316 4.350 -0.012 0.000 0.266 126 E C -0.249 176.264 176.600 -0.146 0.000 1.009 126 E CA -0.255 55.805 56.400 -0.566 0.000 0.902 126 E CB 0.620 30.108 29.700 -0.354 0.000 0.972 126 E HN 0.096 nan 8.360 nan 0.000 0.439 127 E N 3.474 123.683 120.200 0.015 0.000 2.354 127 E HA 0.051 4.393 4.350 -0.012 0.000 0.269 127 E C -0.769 175.936 176.600 0.175 0.000 1.036 127 E CA -0.191 56.303 56.400 0.156 0.000 0.876 127 E CB 0.650 30.536 29.700 0.310 0.000 1.009 127 E HN 0.473 nan 8.360 nan 0.000 0.416 128 D N 0.934 121.407 120.400 0.121 0.000 2.455 128 D HA 0.125 4.757 4.640 -0.012 0.000 0.241 128 D C -0.259 176.070 176.300 0.047 0.000 1.138 128 D CA 0.220 54.264 54.000 0.072 0.000 0.877 128 D CB 0.549 41.379 40.800 0.050 0.000 1.187 128 D HN 0.384 nan 8.370 nan 0.000 0.451 129 A N 2.512 125.304 122.820 -0.047 0.000 2.539 129 A HA 0.462 4.775 4.320 -0.012 0.000 0.306 129 A C 1.054 178.470 177.584 -0.280 0.000 1.392 129 A CA -0.348 51.435 52.037 -0.424 0.000 1.060 129 A CB -0.252 18.576 19.000 -0.286 0.000 1.134 129 A HN 0.540 nan 8.150 nan 0.000 0.542 130 G N 2.197 110.770 108.800 -0.379 0.000 3.943 130 G HA2 0.419 4.371 3.960 -0.012 0.000 0.275 130 G HA3 0.419 4.371 3.960 -0.012 0.000 0.275 130 G C 0.295 174.938 174.900 -0.428 0.000 1.234 130 G CA -0.306 44.656 45.100 -0.231 0.000 1.522 130 G HN 0.692 nan 8.290 nan 0.000 0.636 131 L N 1.341 122.379 121.223 -0.307 0.000 2.862 131 L HA 0.387 4.719 4.340 -0.012 0.000 0.240 131 L C 1.004 177.802 176.870 -0.120 0.000 1.283 131 L CA -0.204 54.563 54.840 -0.122 0.000 1.117 131 L CB -0.312 41.799 42.059 0.086 0.000 1.444 131 L HN 0.322 nan 8.230 nan 0.000 0.456 132 G N -1.302 107.203 108.800 -0.492 0.000 2.623 132 G HA2 0.179 4.132 3.960 -0.012 0.000 0.290 132 G HA3 0.179 4.132 3.960 -0.012 0.000 0.290 132 G C -0.122 174.378 174.900 -0.667 0.000 1.437 132 G CA -0.468 44.361 45.100 -0.452 0.000 0.798 132 G HN -0.098 nan 8.290 nan 0.000 0.488 133 N N -0.715 117.814 118.700 -0.285 0.000 2.336 133 N HA 0.185 4.917 4.740 -0.012 0.000 0.177 133 N C 1.200 176.715 175.510 0.009 0.000 1.018 133 N CA 1.440 54.397 53.050 -0.155 0.000 0.878 133 N CB 0.968 39.455 38.487 -0.000 0.000 0.997 133 N HN 0.854 nan 8.380 nan 0.000 0.433 134 G N -0.819 108.065 108.800 0.141 0.000 2.825 134 G HA2 0.185 4.137 3.960 -0.012 0.000 0.100 134 G HA3 0.185 4.137 3.960 -0.012 0.000 0.100 134 G C 0.703 175.717 174.900 0.190 0.000 1.195 134 G CA 0.216 45.463 45.100 0.245 0.000 1.317 134 G HN 0.161 nan 8.290 nan 0.000 0.632 135 G N 0.359 109.218 108.800 0.098 0.000 2.418 135 G HA2 -0.023 3.930 3.960 -0.012 0.000 0.217 135 G HA3 -0.023 3.930 3.960 -0.012 0.000 0.217 135 G C 1.881 176.767 174.900 -0.024 0.000 1.158 135 G CA 1.491 46.609 45.100 0.030 0.000 0.771 135 G HN 0.808 nan 8.290 nan 0.000 0.545 136 L N 0.589 121.772 121.223 -0.066 0.000 2.046 136 L HA 0.114 4.447 4.340 -0.012 0.000 0.208 136 L C 2.786 179.580 176.870 -0.127 0.000 1.077 136 L CA 1.952 56.662 54.840 -0.216 0.000 0.747 136 L CB -0.531 41.337 42.059 -0.318 0.000 0.896 136 L HN 0.219 nan 8.230 nan 0.000 0.432 137 G N -0.645 108.145 108.800 -0.018 0.000 2.408 137 G HA2 -0.289 3.664 3.960 -0.012 0.000 0.217 137 G HA3 -0.289 3.664 3.960 -0.012 0.000 0.217 137 G C 1.638 176.601 174.900 0.106 0.000 1.150 137 G CA 0.647 45.767 45.100 0.033 0.000 0.776 137 G HN 0.288 nan 8.290 nan 0.000 0.542 138 R N 0.010 120.590 120.500 0.134 0.000 2.115 138 R HA 0.129 4.462 4.340 -0.012 0.000 0.226 138 R C 2.308 178.598 176.300 -0.017 0.000 1.100 138 R CA 0.758 56.908 56.100 0.083 0.000 0.980 138 R CB -0.889 29.425 30.300 0.025 0.000 0.875 138 R HN 0.329 nan 8.270 nan 0.000 0.445 139 L N 0.175 121.319 121.223 -0.131 0.000 2.046 139 L HA -0.020 4.313 4.340 -0.012 0.000 0.208 139 L C 2.073 178.623 176.870 -0.533 0.000 1.077 139 L CA 2.176 56.786 54.840 -0.383 0.000 0.747 139 L CB -0.846 40.957 42.059 -0.426 0.000 0.896 139 L HN 0.253 nan 8.230 nan 0.000 0.432 140 A N -0.657 122.002 122.820 -0.269 0.000 1.908 140 A HA -0.148 4.165 4.320 -0.012 0.000 0.218 140 A C 2.435 180.070 177.584 0.085 0.000 1.181 140 A CA 1.868 53.820 52.037 -0.141 0.000 0.627 140 A CB -1.122 17.767 19.000 -0.185 0.000 0.818 140 A HN 0.566 nan 8.150 nan 0.000 0.445 141 A N -1.127 121.774 122.820 0.135 0.000 1.898 141 A HA -0.137 4.175 4.320 -0.012 0.000 0.216 141 A C 2.308 179.959 177.584 0.111 0.000 1.181 141 A CA 1.596 53.737 52.037 0.173 0.000 0.620 141 A CB -1.239 17.851 19.000 0.149 0.000 0.819 141 A HN 0.590 nan 8.150 nan 0.000 0.442 142 C N -1.445 117.914 119.300 0.099 0.000 2.429 142 C HA -0.067 4.386 4.460 -0.012 0.000 0.277 142 C C 2.422 177.562 174.990 0.251 0.000 1.262 142 C CA 0.631 59.746 59.018 0.161 0.000 1.733 142 C CB -1.611 26.237 27.740 0.180 0.000 2.010 142 C HN 0.607 nan 8.230 nan 0.000 0.483 143 F N 1.241 121.170 119.950 -0.035 0.000 2.126 143 F HA -0.099 4.420 4.527 -0.013 0.000 0.299 143 F C 2.238 177.978 175.800 -0.101 0.000 1.096 143 F CA 1.094 59.023 58.000 -0.118 0.000 1.255 143 F CB -1.387 37.408 39.000 -0.342 0.000 0.997 143 F HN 0.205 nan 8.300 nan 0.000 0.479 144 L N -0.511 120.785 121.223 0.121 0.000 2.046 144 L HA -0.241 4.092 4.340 -0.012 0.000 0.208 144 L C 2.410 179.286 176.870 0.010 0.000 1.077 144 L CA 1.843 56.706 54.840 0.038 0.000 0.747 144 L CB -0.745 41.332 42.059 0.030 0.000 0.896 144 L HN 0.168 nan 8.230 nan 0.000 0.432 145 D N -0.249 120.167 120.400 0.027 0.000 2.097 145 D HA -0.169 4.463 4.640 -0.012 0.000 0.195 145 D C 2.087 178.400 176.300 0.023 0.000 0.989 145 D CA 1.618 55.621 54.000 0.005 0.000 0.827 145 D CB 0.338 41.138 40.800 -0.000 0.000 0.966 145 D HN 0.222 nan 8.370 nan 0.000 0.456 146 S N -0.095 115.636 115.700 0.052 0.000 2.368 146 S HA -0.080 4.382 4.470 -0.012 0.000 0.224 146 S C 2.128 176.740 174.600 0.021 0.000 1.029 146 S CA 0.779 59.004 58.200 0.042 0.000 0.988 146 S CB -0.100 63.133 63.200 0.056 0.000 0.838 146 S HN 0.332 nan 8.310 nan 0.000 0.462 147 M N 0.981 120.585 119.600 0.008 0.000 2.159 147 M HA -0.099 4.374 4.480 -0.012 0.000 0.263 147 M C 2.441 178.739 176.300 -0.003 0.000 1.063 147 M CA 1.423 56.722 55.300 -0.002 0.000 1.110 147 M CB -0.497 32.081 32.600 -0.036 0.000 1.374 147 M HN 0.394 nan 8.290 nan 0.000 0.411 148 A N -0.232 122.583 122.820 -0.009 0.000 1.898 148 A HA -0.124 4.188 4.320 -0.012 0.000 0.216 148 A C 2.169 179.765 177.584 0.020 0.000 1.181 148 A CA 2.062 54.097 52.037 -0.002 0.000 0.620 148 A CB -1.096 17.886 19.000 -0.030 0.000 0.819 148 A HN 0.425 nan 8.150 nan 0.000 0.442 149 T N 0.316 114.887 114.554 0.029 0.000 2.833 149 T HA -0.013 4.330 4.350 -0.012 0.000 0.269 149 T C 1.333 176.061 174.700 0.048 0.000 1.054 149 T CA 1.167 63.298 62.100 0.052 0.000 1.135 149 T CB -0.268 68.640 68.868 0.067 0.000 0.869 149 T HN 0.339 nan 8.240 nan 0.000 0.466 150 L N 0.468 121.715 121.223 0.040 0.000 2.653 150 L HA 0.305 4.638 4.340 -0.012 0.000 0.231 150 L C 1.589 178.489 176.870 0.050 0.000 1.153 150 L CA -0.109 54.757 54.840 0.043 0.000 0.933 150 L CB -0.413 41.671 42.059 0.042 0.000 1.175 150 L HN 0.392 nan 8.230 nan 0.000 0.473 151 G N 1.256 110.089 108.800 0.055 0.000 2.273 151 G HA2 -0.284 3.668 3.960 -0.012 0.000 0.280 151 G HA3 -0.284 3.668 3.960 -0.012 0.000 0.280 151 G C 0.083 175.034 174.900 0.086 0.000 1.047 151 G CA 0.064 45.215 45.100 0.086 0.000 0.869 151 G HN 0.287 nan 8.290 nan 0.000 0.502 152 L N -0.246 120.995 121.223 0.029 0.000 2.334 152 L HA 0.609 4.942 4.340 -0.012 0.000 0.277 152 L C 1.224 177.969 176.870 -0.208 0.000 1.075 152 L CA -0.409 54.398 54.840 -0.056 0.000 0.804 152 L CB 1.616 43.653 42.059 -0.037 0.000 1.174 152 L HN 0.263 nan 8.230 nan 0.000 0.438 153 A N 3.048 125.599 122.820 -0.449 0.000 3.026 153 A HA 0.536 4.848 4.320 -0.012 0.000 0.272 153 A C 0.338 177.539 177.584 -0.638 0.000 1.782 153 A CA -0.135 51.339 52.037 -0.939 0.000 1.451 153 A CB -0.710 17.624 19.000 -1.109 0.000 1.081 153 A HN 0.697 nan 8.150 nan 0.000 0.611 154 A N 1.466 123.953 122.820 -0.556 0.000 2.337 154 A HA 0.782 5.095 4.320 -0.012 0.000 0.329 154 A C -1.019 176.240 177.584 -0.542 0.000 1.146 154 A CA -0.454 51.322 52.037 -0.436 0.000 0.800 154 A CB 0.741 19.579 19.000 -0.271 0.000 1.220 154 A HN 0.603 nan 8.150 nan 0.000 0.472 155 Y N 0.384 120.605 120.300 -0.131 0.000 2.391 155 Y HA 0.539 5.082 4.550 -0.012 0.000 0.341 155 Y C 0.857 176.839 175.900 0.136 0.000 0.965 155 Y CA -0.517 57.587 58.100 0.007 0.000 1.067 155 Y CB 2.394 40.953 38.460 0.164 0.000 1.199 155 Y HN 0.824 nan 8.280 nan 0.000 0.450 156 G N 2.289 111.160 108.800 0.118 0.000 2.325 156 G HA2 0.443 4.395 3.960 -0.012 0.000 0.298 156 G HA3 0.443 4.395 3.960 -0.012 0.000 0.298 156 G C -1.730 173.169 174.900 -0.002 0.000 1.134 156 G CA -0.242 44.945 45.100 0.145 0.000 0.876 156 G HN 0.527 nan 8.290 nan 0.000 0.452 157 Y N 1.127 121.648 120.300 0.369 0.000 2.350 157 Y HA 0.631 5.174 4.550 -0.012 0.000 0.338 157 Y C 0.763 176.974 175.900 0.520 0.000 0.961 157 Y CA 0.231 58.523 58.100 0.321 0.000 1.100 157 Y CB 2.670 41.341 38.460 0.353 0.000 1.179 157 Y HN 0.875 nan 8.280 nan 0.000 0.454 158 G N 2.358 111.482 108.800 0.540 0.000 2.753 158 G HA2 0.582 4.535 3.960 -0.012 0.000 0.303 158 G HA3 0.582 4.535 3.960 -0.012 0.000 0.303 158 G C -1.775 173.359 174.900 0.390 0.000 1.242 158 G CA -0.809 44.630 45.100 0.566 0.000 0.810 158 G HN 0.420 nan 8.290 nan 0.000 0.515 159 I N 0.566 121.261 120.570 0.209 0.000 2.474 159 I HA 0.435 4.597 4.170 -0.012 0.000 0.294 159 I C 0.204 176.223 176.117 -0.163 0.000 1.005 159 I CA -0.736 60.573 61.300 0.015 0.000 1.113 159 I CB 2.298 40.130 38.000 -0.281 0.000 1.289 159 I HN 0.359 nan 8.210 nan 0.000 0.436 160 R N 6.043 126.547 120.500 0.006 0.000 2.608 160 R HA 0.225 4.558 4.340 -0.012 0.000 0.277 160 R C -1.232 175.112 176.300 0.074 0.000 1.341 160 R CA -0.411 55.724 56.100 0.058 0.000 1.199 160 R CB -0.067 30.240 30.300 0.012 0.000 1.156 160 R HN 0.393 nan 8.270 nan 0.000 0.558 161 Y N 1.413 121.873 120.300 0.265 0.000 2.511 161 Y HA -0.078 4.464 4.550 -0.013 0.000 0.332 161 Y C 1.587 177.665 175.900 0.296 0.000 1.177 161 Y CA 0.052 58.300 58.100 0.246 0.000 1.422 161 Y CB 0.786 39.371 38.460 0.209 0.000 1.271 161 Y HN 0.582 nan 8.280 nan 0.000 0.550 162 E N 2.080 122.456 120.200 0.293 0.000 2.152 162 E HA -0.061 4.281 4.350 -0.012 0.000 0.192 162 E C -0.760 175.708 176.600 -0.221 0.000 0.983 162 E CA 0.699 57.066 56.400 -0.054 0.000 0.818 162 E CB 0.177 29.741 29.700 -0.227 0.000 0.758 162 E HN 0.511 nan 8.360 nan 0.000 0.467 163 F N -0.306 119.859 119.950 0.359 0.000 2.507 163 F HA 0.446 4.966 4.527 -0.013 0.000 0.328 163 F C 0.746 176.641 175.800 0.158 0.000 1.136 163 F CA -0.875 57.295 58.000 0.283 0.000 0.930 163 F CB 1.891 40.986 39.000 0.159 0.000 1.166 163 F HN -0.106 nan 8.300 nan 0.000 0.436 164 G N 1.805 110.727 108.800 0.203 0.000 2.531 164 G HA2 0.359 4.312 3.960 -0.012 0.000 0.253 164 G HA3 0.359 4.312 3.960 -0.012 0.000 0.253 164 G C -0.530 174.329 174.900 -0.068 0.000 1.439 164 G CA -0.718 44.340 45.100 -0.070 0.000 1.056 164 G HN 0.551 nan 8.290 nan 0.000 0.555 165 I N 0.984 121.428 120.570 -0.211 0.000 2.752 165 I HA 0.179 4.342 4.170 -0.012 0.000 0.289 165 I C 0.564 176.584 176.117 -0.162 0.000 1.197 165 I CA -1.014 60.133 61.300 -0.255 0.000 1.432 165 I CB -0.337 37.404 38.000 -0.433 0.000 1.359 165 I HN 0.327 nan 8.210 nan 0.000 0.571 166 F N 6.265 126.222 119.950 0.011 0.000 2.628 166 F HA 0.217 4.737 4.527 -0.012 0.000 0.362 166 F C 0.549 176.395 175.800 0.077 0.000 1.148 166 F CA -0.569 57.461 58.000 0.049 0.000 1.352 166 F CB -0.366 38.652 39.000 0.030 0.000 1.081 166 F HN 0.425 nan 8.300 nan 0.000 0.605 167 N N 2.431 121.301 118.700 0.284 0.000 2.497 167 N HA 0.037 4.769 4.740 -0.012 0.000 0.271 167 N C -0.751 174.985 175.510 0.376 0.000 1.142 167 N CA -0.235 52.959 53.050 0.239 0.000 0.965 167 N CB 1.107 39.720 38.487 0.211 0.000 1.077 167 N HN 0.756 nan 8.380 nan 0.000 0.462 168 Q N 2.495 122.489 119.800 0.324 0.000 2.303 168 Q HA 0.166 4.498 4.340 -0.012 0.000 0.257 168 Q C -0.963 175.200 176.000 0.272 0.000 0.941 168 Q CA -0.436 55.591 55.803 0.374 0.000 0.931 168 Q CB 0.671 29.636 28.738 0.378 0.000 1.215 168 Q HN 0.233 nan 8.270 nan 0.000 0.437 169 K N 4.283 124.821 120.400 0.230 0.000 2.207 169 K HA 0.461 4.774 4.320 -0.012 0.000 0.255 169 K C -0.599 176.099 176.600 0.164 0.000 0.941 169 K CA -0.881 55.519 56.287 0.188 0.000 0.825 169 K CB 1.592 34.181 32.500 0.150 0.000 1.119 169 K HN 0.624 nan 8.250 nan 0.000 0.430 170 I N 2.077 122.737 120.570 0.149 0.000 2.307 170 I HA 0.147 4.310 4.170 -0.012 0.000 0.289 170 I C -0.054 176.118 176.117 0.092 0.000 1.021 170 I CA -0.706 60.652 61.300 0.098 0.000 1.224 170 I CB 0.859 38.898 38.000 0.066 0.000 1.376 170 I HN 0.479 nan 8.210 nan 0.000 0.470 171 C N 5.271 124.636 119.300 0.109 0.000 2.322 171 C HA 0.640 5.093 4.460 -0.012 0.000 0.324 171 C C 1.212 176.299 174.990 0.161 0.000 1.249 171 C CA 0.291 59.378 59.018 0.115 0.000 1.453 171 C CB -0.088 27.716 27.740 0.108 0.000 2.145 171 C HN 1.102 nan 8.230 nan 0.000 0.466 172 G N 4.072 112.938 108.800 0.109 0.000 2.258 172 G HA2 0.074 4.026 3.960 -0.012 0.000 0.274 172 G HA3 0.074 4.026 3.960 -0.012 0.000 0.274 172 G C 1.219 176.107 174.900 -0.019 0.000 1.021 172 G CA 1.181 46.347 45.100 0.111 0.000 0.798 172 G HN 2.618 nan 8.290 nan 0.000 0.507 173 G N -2.899 105.839 108.800 -0.103 0.000 2.179 173 G HA2 -0.295 3.658 3.960 -0.012 0.000 0.260 173 G HA3 -0.295 3.658 3.960 -0.012 0.000 0.260 173 G C 0.343 174.982 174.900 -0.436 0.000 0.977 173 G CA 0.625 45.539 45.100 -0.310 0.000 0.641 173 G HN 1.191 nan 8.290 nan 0.000 0.533 174 W N 0.932 122.179 121.300 -0.088 0.000 2.496 174 W HA 0.646 5.299 4.660 -0.012 0.000 0.327 174 W C 0.657 177.127 176.519 -0.081 0.000 1.086 174 W CA -0.931 56.358 57.345 -0.093 0.000 1.222 174 W CB 0.882 30.304 29.460 -0.063 0.000 1.304 174 W HN 0.265 nan 8.180 nan 0.000 0.547 175 Q N 3.473 123.372 119.800 0.165 0.000 2.289 175 Q HA 0.161 4.494 4.340 -0.012 0.000 0.273 175 Q C -0.512 175.550 176.000 0.103 0.000 1.029 175 Q CA 0.293 56.166 55.803 0.117 0.000 0.896 175 Q CB 0.509 29.310 28.738 0.106 0.000 1.182 175 Q HN 0.322 nan 8.270 nan 0.000 0.385 176 M N 3.165 122.819 119.600 0.090 0.000 2.528 176 M HA 0.393 4.866 4.480 -0.012 0.000 0.321 176 M C -1.050 175.262 176.300 0.020 0.000 1.153 176 M CA -0.685 54.635 55.300 0.033 0.000 0.951 176 M CB 1.791 34.423 32.600 0.052 0.000 1.705 176 M HN 0.603 nan 8.290 nan 0.000 0.451 177 E N 1.603 121.747 120.200 -0.093 0.000 2.179 177 E HA 0.457 4.799 4.350 -0.012 0.000 0.275 177 E C -0.777 175.817 176.600 -0.009 0.000 0.945 177 E CA -0.574 55.741 56.400 -0.142 0.000 0.792 177 E CB 1.626 30.987 29.700 -0.565 0.000 1.125 177 E HN 0.524 nan 8.360 nan 0.000 0.397 178 E N 1.024 121.295 120.200 0.117 0.000 2.317 178 E HA 0.723 5.065 4.350 -0.012 0.000 0.270 178 E C -1.041 175.647 176.600 0.147 0.000 0.885 178 E CA -1.505 54.953 56.400 0.098 0.000 0.760 178 E CB 1.472 31.233 29.700 0.102 0.000 1.227 178 E HN 0.449 nan 8.360 nan 0.000 0.434 179 A N 2.222 125.088 122.820 0.076 0.000 2.546 179 A HA 0.048 4.361 4.320 -0.012 0.000 0.243 179 A C -0.112 177.637 177.584 0.274 0.000 1.063 179 A CA 0.287 52.379 52.037 0.091 0.000 0.757 179 A CB -0.055 18.855 19.000 -0.151 0.000 0.991 179 A HN 0.711 nan 8.150 nan 0.000 0.503 180 D N 1.718 122.348 120.400 0.383 0.000 2.494 180 D HA 0.204 4.837 4.640 -0.012 0.000 0.217 180 D C -0.460 176.164 176.300 0.541 0.000 1.153 180 D CA -0.193 54.039 54.000 0.387 0.000 0.954 180 D CB 0.431 41.392 40.800 0.268 0.000 1.034 180 D HN 0.371 nan 8.370 nan 0.000 0.518 181 D N 4.059 124.731 120.400 0.453 0.000 2.845 181 D HA -0.013 4.619 4.640 -0.012 0.000 0.235 181 D C 1.107 177.514 176.300 0.178 0.000 1.158 181 D CA -0.573 53.599 54.000 0.288 0.000 0.990 181 D CB -0.195 40.775 40.800 0.283 0.000 1.094 181 D HN 0.570 nan 8.370 nan 0.000 0.486 182 W N 1.560 122.879 121.300 0.031 0.000 2.525 182 W HA -0.031 4.621 4.660 -0.012 0.000 0.259 182 W C 0.108 176.668 176.519 0.067 0.000 1.253 182 W CA 0.089 57.478 57.345 0.073 0.000 1.262 182 W CB -0.713 28.798 29.460 0.084 0.000 1.122 182 W HN 0.166 nan 8.180 nan 0.000 0.607 183 L N 0.955 121.792 121.223 -0.644 0.000 2.607 183 L HA 0.178 4.510 4.340 -0.012 0.000 0.228 183 L C 2.760 179.445 176.870 -0.309 0.000 1.123 183 L CA -0.035 54.406 54.840 -0.665 0.000 0.890 183 L CB -0.612 40.940 42.059 -0.846 0.000 1.103 183 L HN -0.108 nan 8.230 nan 0.000 0.468 184 R N 0.529 120.895 120.500 -0.225 0.000 2.113 184 R HA -0.237 4.096 4.340 -0.012 0.000 0.244 184 R C 1.455 177.561 176.300 -0.322 0.000 1.142 184 R CA 2.164 58.088 56.100 -0.294 0.000 0.953 184 R CB -0.197 29.872 30.300 -0.384 0.000 0.860 184 R HN 0.299 nan 8.270 nan 0.000 0.438 185 Y N -0.577 119.741 120.300 0.030 0.000 2.466 185 Y HA 0.319 4.861 4.550 -0.012 0.000 0.272 185 Y C 0.878 176.776 175.900 -0.003 0.000 1.169 185 Y CA 0.490 58.627 58.100 0.062 0.000 1.285 185 Y CB 0.741 39.356 38.460 0.258 0.000 1.078 185 Y HN 0.431 nan 8.280 nan 0.000 0.523 186 G N 1.219 110.062 108.800 0.072 0.000 2.662 186 G HA2 -0.210 3.743 3.960 -0.012 0.000 0.686 186 G HA3 -0.210 3.743 3.960 -0.012 0.000 0.686 186 G C -1.281 173.690 174.900 0.119 0.000 1.271 186 G CA -0.827 44.277 45.100 0.006 0.000 0.816 186 G HN 0.244 nan 8.290 nan 0.000 0.608 187 N N 1.200 119.919 118.700 0.030 0.000 2.524 187 N HA 0.584 5.317 4.740 -0.012 0.000 0.261 187 N C -0.706 174.818 175.510 0.023 0.000 0.998 187 N CA -2.018 51.077 53.050 0.076 0.000 0.915 187 N CB 2.083 40.550 38.487 -0.033 0.000 1.187 187 N HN 0.237 nan 8.380 nan 0.000 0.507 188 P HA 0.030 nan 4.420 nan 0.000 0.229 188 P C 0.581 177.559 177.300 -0.536 0.000 1.160 188 P CA 0.732 63.525 63.100 -0.511 0.000 0.777 188 P CB 0.115 31.223 31.700 -0.987 0.000 0.814 189 W N 1.824 123.136 121.300 0.021 0.000 2.640 189 W HA 0.070 4.723 4.660 -0.012 0.000 0.268 189 W C 1.198 177.759 176.519 0.070 0.000 1.263 189 W CA -0.341 57.012 57.345 0.013 0.000 1.344 189 W CB -0.230 29.238 29.460 0.014 0.000 1.093 189 W HN 0.001 nan 8.180 nan 0.000 0.603 190 E N 1.686 122.062 120.200 0.294 0.000 2.313 190 E HA 0.346 4.688 4.350 -0.012 0.000 0.272 190 E C -0.641 176.130 176.600 0.284 0.000 1.038 190 E CA -0.777 55.807 56.400 0.307 0.000 0.863 190 E CB 1.373 31.267 29.700 0.323 0.000 1.060 190 E HN -0.322 nan 8.360 nan 0.000 0.402 191 K N 1.778 122.359 120.400 0.300 0.000 2.450 191 K HA 0.424 4.737 4.320 -0.012 0.000 0.257 191 K C -1.173 175.449 176.600 0.036 0.000 0.953 191 K CA -0.523 55.872 56.287 0.180 0.000 0.844 191 K CB 1.613 34.218 32.500 0.176 0.000 1.103 191 K HN 0.665 nan 8.250 nan 0.000 0.429 192 A N 4.259 127.005 122.820 -0.122 0.000 2.477 192 A HA 0.332 4.645 4.320 -0.012 0.000 0.246 192 A C -0.284 177.138 177.584 -0.269 0.000 1.078 192 A CA -0.128 51.586 52.037 -0.538 0.000 0.770 192 A CB 0.201 18.862 19.000 -0.565 0.000 1.011 192 A HN 0.657 nan 8.150 nan 0.000 0.494 193 R N 3.338 123.686 120.500 -0.252 0.000 2.983 193 R HA 0.212 4.544 4.340 -0.012 0.000 0.300 193 R C -2.351 173.957 176.300 0.013 0.000 1.367 193 R CA -1.890 54.202 56.100 -0.013 0.000 1.564 193 R CB 0.542 30.941 30.300 0.165 0.000 1.314 193 R HN 0.567 nan 8.270 nan 0.000 0.622 194 P HA -0.162 nan 4.420 nan 0.000 0.225 194 P C 0.841 178.129 177.300 -0.020 0.000 1.148 194 P CA 1.017 64.102 63.100 -0.026 0.000 0.779 194 P CB 0.402 32.075 31.700 -0.045 0.000 0.780 195 E N -0.426 119.717 120.200 -0.095 0.000 2.358 195 E HA -0.104 4.239 4.350 -0.012 0.000 0.195 195 E C 0.663 177.077 176.600 -0.310 0.000 1.010 195 E CA 0.667 56.925 56.400 -0.237 0.000 0.856 195 E CB -0.786 28.683 29.700 -0.386 0.000 0.795 195 E HN 0.261 nan 8.360 nan 0.000 0.504 196 F N 2.049 122.018 119.950 0.031 0.000 2.668 196 F HA 0.236 4.755 4.527 -0.012 0.000 0.297 196 F C 0.419 176.318 175.800 0.165 0.000 1.124 196 F CA -0.228 57.822 58.000 0.083 0.000 1.353 196 F CB 0.359 39.401 39.000 0.069 0.000 0.992 196 F HN -0.281 nan 8.300 nan 0.000 0.524 197 T N 2.601 117.300 114.554 0.243 0.000 2.916 197 T HA 0.303 4.646 4.350 -0.012 0.000 0.303 197 T C -0.278 174.525 174.700 0.172 0.000 1.025 197 T CA 0.274 62.514 62.100 0.234 0.000 1.142 197 T CB 0.713 69.671 68.868 0.150 0.000 0.947 197 T HN -0.172 nan 8.240 nan 0.000 0.544 198 L N 5.749 127.047 121.223 0.125 0.000 2.381 198 L HA 0.544 4.876 4.340 -0.012 0.000 0.268 198 L C -2.239 174.598 176.870 -0.055 0.000 0.997 198 L CA -2.531 52.310 54.840 0.002 0.000 0.818 198 L CB 1.952 43.938 42.059 -0.122 0.000 1.310 198 L HN 0.382 nan 8.230 nan 0.000 0.416 199 P HA 0.354 nan 4.420 nan 0.000 0.284 199 P C -1.148 176.053 177.300 -0.165 0.000 1.253 199 P CA -0.353 62.685 63.100 -0.103 0.000 0.800 199 P CB 1.598 33.237 31.700 -0.102 0.000 0.961 200 V N 4.053 123.855 119.914 -0.187 0.000 2.604 200 V HA 0.333 4.446 4.120 -0.012 0.000 0.305 200 V C 0.184 176.085 176.094 -0.321 0.000 1.043 200 V CA -0.611 61.563 62.300 -0.209 0.000 0.888 200 V CB 1.425 33.157 31.823 -0.153 0.000 0.995 200 V HN 0.599 nan 8.190 nan 0.000 0.429 201 H N 3.816 122.721 119.070 -0.275 0.000 2.472 201 H HA 0.622 5.170 4.556 -0.013 0.000 0.338 201 H C -1.315 173.723 175.328 -0.484 0.000 1.133 201 H CA -0.154 55.666 56.048 -0.380 0.000 1.216 201 H CB 1.950 31.284 29.762 -0.714 0.000 1.497 201 H HN 0.482 nan 8.280 nan 0.000 0.500 202 F N 0.337 120.357 119.950 0.117 0.000 2.613 202 F HA 0.206 4.725 4.527 -0.013 0.000 0.314 202 F C -0.261 175.659 175.800 0.200 0.000 1.075 202 F CA -0.549 57.516 58.000 0.108 0.000 0.945 202 F CB 1.103 40.058 39.000 -0.075 0.000 1.310 202 F HN 0.565 nan 8.300 nan 0.000 0.467 203 Y N 0.181 120.788 120.300 0.511 0.000 2.896 203 Y HA -0.025 4.518 4.550 -0.012 0.000 0.466 203 Y C 1.389 177.550 175.900 0.434 0.000 1.197 203 Y CA 0.655 58.971 58.100 0.359 0.000 2.513 203 Y CB -1.943 36.654 38.460 0.227 0.000 1.232 203 Y HN 1.286 nan 8.280 nan 0.000 0.632 204 G N 0.751 109.830 108.800 0.463 0.000 2.598 204 G HA2 0.074 4.026 3.960 -0.012 0.000 0.244 204 G HA3 0.074 4.026 3.960 -0.012 0.000 0.244 204 G C -0.519 174.598 174.900 0.362 0.000 1.302 204 G CA 1.053 46.348 45.100 0.324 0.000 0.903 204 G HN 1.371 nan 8.290 nan 0.000 0.575 205 R N -2.602 118.109 120.500 0.351 0.000 2.734 205 R HA 0.698 5.031 4.340 -0.012 0.000 0.271 205 R C -1.403 175.040 176.300 0.238 0.000 1.021 205 R CA -1.017 55.230 56.100 0.245 0.000 0.893 205 R CB 1.358 31.745 30.300 0.146 0.000 1.244 205 R HN 0.867 nan 8.270 nan 0.000 0.464 206 V N 0.916 120.882 119.914 0.087 0.000 2.394 206 V HA 0.346 4.459 4.120 -0.012 0.000 0.282 206 V C -0.209 175.815 176.094 -0.116 0.000 1.031 206 V CA -0.509 61.765 62.300 -0.044 0.000 0.881 206 V CB 1.302 33.024 31.823 -0.167 0.000 0.982 206 V HN 0.720 nan 8.190 nan 0.000 0.451 207 E N 3.029 123.142 120.200 -0.145 0.000 2.166 207 E HA 0.391 4.734 4.350 -0.012 0.000 0.275 207 E C -0.980 175.479 176.600 -0.235 0.000 0.941 207 E CA -0.689 55.642 56.400 -0.114 0.000 0.784 207 E CB 0.836 30.521 29.700 -0.025 0.000 1.115 207 E HN 0.699 nan 8.360 nan 0.000 0.399 208 H N 2.861 121.946 119.070 0.025 0.000 2.597 208 H HA 0.167 4.715 4.556 -0.012 0.000 0.303 208 H C 0.235 175.572 175.328 0.014 0.000 1.057 208 H CA -0.277 55.781 56.048 0.016 0.000 1.261 208 H CB 1.002 30.769 29.762 0.008 0.000 1.397 208 H HN 0.558 nan 8.280 nan 0.000 0.461 209 T N -0.507 114.104 114.554 0.096 0.000 2.910 209 T HA 0.172 4.514 4.350 -0.012 0.000 0.279 209 T C 1.514 176.250 174.700 0.061 0.000 0.989 209 T CA -0.678 61.460 62.100 0.062 0.000 0.968 209 T CB 1.137 70.026 68.868 0.035 0.000 1.135 209 T HN 0.341 nan 8.240 nan 0.000 0.562 210 S N -0.045 115.679 115.700 0.041 0.000 2.370 210 S HA -0.091 4.372 4.470 -0.012 0.000 0.226 210 S C 1.390 176.010 174.600 0.033 0.000 1.033 210 S CA 1.195 59.414 58.200 0.032 0.000 1.011 210 S CB -0.409 62.805 63.200 0.024 0.000 0.852 210 S HN 0.746 nan 8.310 nan 0.000 0.457 211 Q N 0.414 120.233 119.800 0.032 0.000 2.465 211 Q HA 0.497 4.829 4.340 -0.012 0.000 0.361 211 Q C 0.177 176.198 176.000 0.034 0.000 0.957 211 Q CA 0.133 55.954 55.803 0.030 0.000 1.065 211 Q CB 0.112 28.863 28.738 0.023 0.000 1.274 211 Q HN 0.469 nan 8.270 nan 0.000 0.421 212 G N -0.323 108.507 108.800 0.049 0.000 2.525 212 G HA2 0.146 4.098 3.960 -0.012 0.000 0.685 212 G HA3 0.146 4.098 3.960 -0.012 0.000 0.685 212 G C -0.968 173.967 174.900 0.058 0.000 1.290 212 G CA -0.659 44.477 45.100 0.059 0.000 0.915 212 G HN 0.524 nan 8.290 nan 0.000 0.548 213 A N 0.085 122.932 122.820 0.045 0.000 2.316 213 A HA 0.753 5.065 4.320 -0.012 0.000 0.284 213 A C 0.354 177.903 177.584 -0.058 0.000 1.115 213 A CA 0.038 52.039 52.037 -0.061 0.000 0.812 213 A CB 0.687 19.630 19.000 -0.094 0.000 1.064 213 A HN 0.705 nan 8.150 nan 0.000 0.489 214 K N 1.153 121.503 120.400 -0.082 0.000 2.397 214 K HA 0.191 4.504 4.320 -0.012 0.000 0.253 214 K C -1.791 174.846 176.600 0.061 0.000 0.932 214 K CA -0.341 55.942 56.287 -0.008 0.000 0.795 214 K CB 2.190 34.686 32.500 -0.007 0.000 1.159 214 K HN 0.749 nan 8.250 nan 0.000 0.424 215 W N 5.318 126.541 121.300 -0.129 0.000 2.342 215 W HA 0.331 4.984 4.660 -0.013 0.000 0.310 215 W C -0.571 175.895 176.519 -0.088 0.000 1.128 215 W CA -0.798 56.479 57.345 -0.114 0.000 1.322 215 W CB 0.128 29.509 29.460 -0.131 0.000 1.251 215 W HN 0.312 nan 8.180 nan 0.000 0.439 216 V N 2.890 122.857 119.914 0.088 0.000 3.126 216 V HA 0.610 4.722 4.120 -0.012 0.000 0.314 216 V C -0.222 175.848 176.094 -0.039 0.000 1.138 216 V CA -0.978 61.299 62.300 -0.039 0.000 1.034 216 V CB 1.984 33.812 31.823 0.009 0.000 1.075 216 V HN 0.463 nan 8.190 nan 0.000 0.442 217 D N 0.339 120.716 120.400 -0.039 0.000 2.723 217 D HA -0.136 4.496 4.640 -0.012 0.000 0.236 217 D C 0.521 176.821 176.300 0.001 0.000 1.138 217 D CA 1.538 55.536 54.000 -0.004 0.000 0.676 217 D CB -1.616 39.203 40.800 0.032 0.000 1.069 217 D HN 1.332 nan 8.370 nan 0.000 0.430 218 T N -2.871 111.641 114.554 -0.071 0.000 2.899 218 T HA 0.503 4.846 4.350 -0.012 0.000 0.284 218 T C 0.439 175.176 174.700 0.061 0.000 1.004 218 T CA -0.776 61.293 62.100 -0.051 0.000 1.043 218 T CB 1.948 70.636 68.868 -0.300 0.000 1.013 218 T HN 0.047 nan 8.240 nan 0.000 0.518 219 Q N 0.708 120.611 119.800 0.171 0.000 2.243 219 Q HA 0.569 4.902 4.340 -0.012 0.000 0.252 219 Q C -0.927 175.174 176.000 0.169 0.000 0.909 219 Q CA -0.884 55.034 55.803 0.192 0.000 0.922 219 Q CB 1.834 30.760 28.738 0.314 0.000 1.215 219 Q HN 0.524 nan 8.270 nan 0.000 0.427 220 V N 3.088 123.061 119.914 0.098 0.000 2.435 220 V HA 0.401 4.513 4.120 -0.012 0.000 0.290 220 V C -0.302 175.896 176.094 0.174 0.000 1.030 220 V CA -0.686 61.600 62.300 -0.024 0.000 0.881 220 V CB 1.654 33.389 31.823 -0.146 0.000 0.983 220 V HN 0.490 nan 8.190 nan 0.000 0.445 221 V N 5.927 125.960 119.914 0.199 0.000 2.555 221 V HA 0.479 4.591 4.120 -0.012 0.000 0.302 221 V C -0.102 176.110 176.094 0.197 0.000 1.038 221 V CA -0.650 61.796 62.300 0.243 0.000 0.887 221 V CB 1.907 33.946 31.823 0.360 0.000 0.991 221 V HN 0.642 nan 8.190 nan 0.000 0.434 222 L N 3.644 124.972 121.223 0.175 0.000 2.350 222 L HA 0.697 5.030 4.340 -0.012 0.000 0.275 222 L C 0.485 177.544 176.870 0.314 0.000 1.099 222 L CA -0.262 54.681 54.840 0.171 0.000 0.808 222 L CB 1.217 43.354 42.059 0.129 0.000 1.149 222 L HN 0.756 nan 8.230 nan 0.000 0.442 223 A N 5.332 128.285 122.820 0.222 0.000 2.267 223 A HA 0.572 4.884 4.320 -0.012 0.000 0.315 223 A C -0.458 177.396 177.584 0.449 0.000 1.297 223 A CA -0.464 51.736 52.037 0.271 0.000 0.865 223 A CB 0.860 19.579 19.000 -0.468 0.000 1.165 223 A HN 0.783 nan 8.150 nan 0.000 0.513 224 M N 5.740 125.667 119.600 0.545 0.000 2.129 224 M HA 0.440 4.912 4.480 -0.012 0.000 0.348 224 M C -2.610 173.975 176.300 0.474 0.000 1.116 224 M CA -2.194 53.374 55.300 0.447 0.000 1.022 224 M CB 2.014 34.796 32.600 0.304 0.000 1.599 224 M HN 0.337 nan 8.290 nan 0.000 0.449 225 P HA 0.264 nan 4.420 nan 0.000 0.284 225 P C -1.909 175.339 177.300 -0.087 0.000 1.253 225 P CA -0.017 62.997 63.100 -0.144 0.000 0.800 225 P CB 0.503 31.910 31.700 -0.487 0.000 0.961 226 Y N 0.552 120.778 120.300 -0.122 0.000 2.331 226 Y HA 0.320 4.862 4.550 -0.013 0.000 0.334 226 Y C 0.199 176.068 175.900 -0.052 0.000 0.960 226 Y CA -0.346 57.738 58.100 -0.026 0.000 1.130 226 Y CB 1.269 39.751 38.460 0.037 0.000 1.164 226 Y HN 0.215 nan 8.280 nan 0.000 0.458 227 D N 2.069 122.551 120.400 0.137 0.000 2.198 227 D HA 0.376 5.008 4.640 -0.012 0.000 0.245 227 D C -0.551 175.964 176.300 0.358 0.000 1.079 227 D CA -0.172 53.946 54.000 0.197 0.000 0.854 227 D CB 1.680 42.600 40.800 0.201 0.000 1.148 227 D HN 0.376 nan 8.370 nan 0.000 0.456 228 T N 3.277 117.958 114.554 0.211 0.000 2.807 228 T HA 0.454 4.796 4.350 -0.012 0.000 0.279 228 T C -2.510 172.052 174.700 -0.231 0.000 0.993 228 T CA -1.512 60.622 62.100 0.057 0.000 0.970 228 T CB 1.997 70.884 68.868 0.031 0.000 0.950 228 T HN 0.159 nan 8.240 nan 0.000 0.441 229 P HA 0.279 nan 4.420 nan 0.000 0.276 229 P C -0.952 176.015 177.300 -0.555 0.000 1.230 229 P CA -0.356 62.066 63.100 -1.130 0.000 0.776 229 P CB 0.732 31.559 31.700 -1.456 0.000 0.888 230 V N 5.795 125.449 119.914 -0.434 0.000 2.284 230 V HA 0.260 4.373 4.120 -0.012 0.000 0.274 230 V C -2.046 173.912 176.094 -0.226 0.000 1.023 230 V CA -1.945 60.191 62.300 -0.273 0.000 0.808 230 V CB 1.287 32.996 31.823 -0.190 0.000 1.035 230 V HN 0.533 nan 8.190 nan 0.000 0.445 231 P HA 0.270 nan 4.420 nan 0.000 0.280 231 P C 0.373 177.621 177.300 -0.087 0.000 1.244 231 P CA 0.265 63.274 63.100 -0.151 0.000 0.784 231 P CB 1.483 33.091 31.700 -0.153 0.000 0.913 232 G N 2.158 110.925 108.800 -0.055 0.000 2.572 232 G HA2 0.122 4.075 3.960 -0.012 0.000 0.261 232 G HA3 0.122 4.075 3.960 -0.012 0.000 0.261 232 G C -1.113 173.798 174.900 0.018 0.000 1.197 232 G CA -0.575 44.521 45.100 -0.006 0.000 0.870 232 G HN 0.515 nan 8.290 nan 0.000 0.548 233 Y N 1.086 121.347 120.300 -0.064 0.000 2.674 233 Y HA 0.201 4.743 4.550 -0.013 0.000 0.354 233 Y C 1.381 177.243 175.900 -0.062 0.000 1.089 233 Y CA -0.122 57.936 58.100 -0.070 0.000 1.444 233 Y CB -0.108 38.309 38.460 -0.071 0.000 1.187 233 Y HN 0.740 nan 8.280 nan 0.000 0.523 234 R N 3.004 123.218 120.500 -0.477 0.000 3.610 234 R HA -0.328 4.004 4.340 -0.012 0.000 0.274 234 R C 0.168 176.328 176.300 -0.233 0.000 1.123 234 R CA 1.365 57.203 56.100 -0.436 0.000 0.747 234 R CB -2.000 27.881 30.300 -0.699 0.000 1.149 234 R HN 0.942 nan 8.270 nan 0.000 0.471 235 N N -0.785 117.831 118.700 -0.140 0.000 2.184 235 N HA 0.041 4.773 4.740 -0.012 0.000 0.206 235 N C -0.083 175.380 175.510 -0.077 0.000 1.151 235 N CA -0.441 52.559 53.050 -0.084 0.000 0.878 235 N CB 0.476 38.939 38.487 -0.040 0.000 1.014 235 N HN 0.091 nan 8.380 nan 0.000 0.512 236 N N -0.242 118.408 118.700 -0.083 0.000 2.778 236 N HA -0.135 4.598 4.740 -0.012 0.000 0.249 236 N C -0.935 174.536 175.510 -0.065 0.000 1.069 236 N CA 0.573 53.582 53.050 -0.069 0.000 0.831 236 N CB -1.330 37.117 38.487 -0.066 0.000 1.142 236 N HN 0.185 nan 8.380 nan 0.000 0.573 237 V N 1.196 121.075 119.914 -0.059 0.000 2.498 237 V HA 0.413 4.526 4.120 -0.012 0.000 0.279 237 V C 0.609 176.676 176.094 -0.046 0.000 1.048 237 V CA -0.427 61.845 62.300 -0.046 0.000 0.967 237 V CB 2.046 33.865 31.823 -0.006 0.000 0.988 237 V HN -0.023 nan 8.190 nan 0.000 0.473 238 V N 5.389 125.282 119.914 -0.035 0.000 2.419 238 V HA 0.437 4.550 4.120 -0.012 0.000 0.287 238 V C -0.100 175.991 176.094 -0.004 0.000 1.017 238 V CA -0.879 61.373 62.300 -0.080 0.000 0.844 238 V CB 1.450 33.196 31.823 -0.128 0.000 1.011 238 V HN 0.833 nan 8.190 nan 0.000 0.429 239 N N 1.909 120.577 118.700 -0.053 0.000 2.476 239 N HA 0.567 5.300 4.740 -0.012 0.000 0.287 239 N C -0.064 175.436 175.510 -0.017 0.000 1.262 239 N CA -0.290 52.750 53.050 -0.017 0.000 0.980 239 N CB 1.236 39.666 38.487 -0.094 0.000 1.163 239 N HN 0.587 nan 8.380 nan 0.000 0.592 240 T N 0.801 115.354 114.554 -0.002 0.000 2.824 240 T HA 0.386 4.729 4.350 -0.012 0.000 0.282 240 T C -0.261 174.411 174.700 -0.047 0.000 0.993 240 T CA -0.498 61.673 62.100 0.120 0.000 0.967 240 T CB 1.025 70.089 68.868 0.328 0.000 0.960 240 T HN 0.295 nan 8.240 nan 0.000 0.441 241 M N 3.904 123.438 119.600 -0.110 0.000 2.101 241 M HA 0.495 4.968 4.480 -0.012 0.000 0.340 241 M C -0.421 175.727 176.300 -0.253 0.000 1.057 241 M CA -0.744 54.400 55.300 -0.261 0.000 0.984 241 M CB 0.657 33.045 32.600 -0.352 0.000 1.560 241 M HN 0.481 nan 8.290 nan 0.000 0.435 242 R N 6.078 126.314 120.500 -0.440 0.000 2.265 242 R HA 0.595 4.928 4.340 -0.012 0.000 0.328 242 R C -1.943 174.048 176.300 -0.515 0.000 0.969 242 R CA -0.420 55.358 56.100 -0.536 0.000 0.832 242 R CB 0.795 30.577 30.300 -0.862 0.000 1.139 242 R HN 0.813 nan 8.270 nan 0.000 0.457 243 L N 5.187 126.224 121.223 -0.310 0.000 2.313 243 L HA 0.482 4.815 4.340 -0.012 0.000 0.283 243 L C -0.788 176.038 176.870 -0.074 0.000 1.013 243 L CA -0.907 53.852 54.840 -0.135 0.000 0.816 243 L CB 1.436 43.505 42.059 0.016 0.000 1.236 243 L HN 0.586 nan 8.230 nan 0.000 0.419 244 W N 2.097 123.514 121.300 0.195 0.000 2.316 244 W HA 0.430 5.082 4.660 -0.012 0.000 0.311 244 W C 0.608 177.353 176.519 0.377 0.000 1.217 244 W CA -0.132 57.355 57.345 0.237 0.000 1.199 244 W CB 1.420 30.888 29.460 0.013 0.000 1.202 244 W HN 0.356 nan 8.180 nan 0.000 0.528 245 S N 2.088 118.191 115.700 0.672 0.000 2.472 245 S HA 0.772 5.234 4.470 -0.012 0.000 0.303 245 S C -0.380 174.558 174.600 0.563 0.000 1.099 245 S CA -0.719 57.781 58.200 0.500 0.000 1.077 245 S CB 0.636 64.071 63.200 0.392 0.000 1.031 245 S HN 0.512 nan 8.310 nan 0.000 0.487 246 A N 4.818 127.804 122.820 0.277 0.000 2.328 246 A HA 0.648 4.960 4.320 -0.012 0.000 0.284 246 A C -0.140 177.504 177.584 0.101 0.000 1.160 246 A CA -0.313 51.782 52.037 0.097 0.000 0.818 246 A CB 0.364 19.152 19.000 -0.353 0.000 1.087 246 A HN 0.662 nan 8.150 nan 0.000 0.504 247 K N 1.236 121.711 120.400 0.125 0.000 2.427 247 K HA 0.586 4.899 4.320 -0.012 0.000 0.252 247 K C -0.495 176.101 176.600 -0.007 0.000 0.931 247 K CA -0.433 55.889 56.287 0.058 0.000 0.793 247 K CB 2.219 34.786 32.500 0.111 0.000 1.211 247 K HN 0.842 nan 8.250 nan 0.000 0.426 248 A N 4.557 127.301 122.820 -0.127 0.000 2.440 248 A HA 0.396 4.708 4.320 -0.012 0.000 0.251 248 A C -2.076 175.499 177.584 -0.016 0.000 1.089 248 A CA -0.937 50.963 52.037 -0.228 0.000 0.779 248 A CB -0.344 18.294 19.000 -0.603 0.000 1.022 248 A HN 0.338 nan 8.150 nan 0.000 0.492 249 P HA 0.104 nan 4.420 nan 0.000 0.272 249 P C 0.027 177.417 177.300 0.149 0.000 1.230 249 P CA -0.309 62.869 63.100 0.130 0.000 0.788 249 P CB 0.580 32.373 31.700 0.154 0.000 0.949 250 N N 0.698 119.462 118.700 0.108 0.000 2.459 250 N HA -0.121 4.612 4.740 -0.012 0.000 0.181 250 N C 0.671 176.252 175.510 0.119 0.000 1.046 250 N CA 0.986 54.097 53.050 0.101 0.000 0.904 250 N CB -0.477 38.053 38.487 0.072 0.000 0.964 250 N HN 0.516 nan 8.380 nan 0.000 0.444 251 D N -1.152 119.321 120.400 0.121 0.000 2.336 251 D HA -0.051 4.582 4.640 -0.012 0.000 0.228 251 D C -0.103 176.264 176.300 0.113 0.000 1.120 251 D CA -0.548 53.512 54.000 0.100 0.000 0.839 251 D CB -1.089 39.748 40.800 0.062 0.000 0.932 251 D HN 0.075 nan 8.370 nan 0.000 0.509 252 F N 1.847 121.810 119.950 0.021 0.000 2.571 252 F HA 0.061 4.581 4.527 -0.012 0.000 0.384 252 F C 0.833 176.637 175.800 0.007 0.000 1.058 252 F CA 0.387 58.397 58.000 0.016 0.000 1.200 252 F CB 0.182 39.191 39.000 0.016 0.000 1.077 252 F HN -0.152 nan 8.300 nan 0.000 0.558 253 N N 2.179 120.636 118.700 -0.405 0.000 2.857 253 N HA -0.291 4.442 4.740 -0.012 0.000 0.242 253 N C -0.664 174.806 175.510 -0.067 0.000 0.983 253 N CA 1.661 54.575 53.050 -0.226 0.000 0.934 253 N CB -1.149 37.282 38.487 -0.092 0.000 1.115 253 N HN 0.520 nan 8.380 nan 0.000 0.593 262 Y N 2.126 122.435 120.300 0.016 0.000 2.145 262 Y HA 0.001 4.544 4.550 -0.012 0.000 0.286 262 Y C 2.618 178.534 175.900 0.028 0.000 1.145 262 Y CA 2.086 60.198 58.100 0.021 0.000 1.148 262 Y CB -0.111 38.360 38.460 0.018 0.000 0.981 262 Y HN 0.184 nan 8.280 nan 0.000 0.507 263 I N 0.553 121.074 120.570 -0.081 0.000 2.163 263 I HA -0.307 3.856 4.170 -0.012 0.000 0.243 263 I C 2.385 178.414 176.117 -0.148 0.000 1.085 263 I CA 1.849 63.051 61.300 -0.162 0.000 1.347 263 I CB -1.436 36.568 38.000 0.006 0.000 1.044 263 I HN 0.338 nan 8.210 nan 0.000 0.408 264 Q N 1.094 120.855 119.800 -0.064 0.000 2.124 264 Q HA -0.109 4.223 4.340 -0.012 0.000 0.202 264 Q C 2.237 178.214 176.000 -0.038 0.000 0.977 264 Q CA 2.179 57.961 55.803 -0.036 0.000 0.850 264 Q CB -0.338 28.396 28.738 -0.006 0.000 0.901 264 Q HN 0.471 nan 8.270 nan 0.000 0.429 265 A N -0.706 122.079 122.820 -0.058 0.000 1.908 265 A HA -0.159 4.153 4.320 -0.012 0.000 0.218 265 A C 2.253 179.823 177.584 -0.024 0.000 1.181 265 A CA 1.768 53.789 52.037 -0.026 0.000 0.627 265 A CB -0.861 18.121 19.000 -0.029 0.000 0.818 265 A HN 0.274 nan 8.150 nan 0.000 0.445 266 V N 0.118 119.931 119.914 -0.168 0.000 2.358 266 V HA -0.233 3.879 4.120 -0.012 0.000 0.246 266 V C 2.522 178.574 176.094 -0.069 0.000 1.047 266 V CA 1.847 64.056 62.300 -0.152 0.000 1.035 266 V CB -0.753 30.886 31.823 -0.307 0.000 0.658 266 V HN 0.569 nan 8.190 nan 0.000 0.452 267 L N -0.207 120.977 121.223 -0.064 0.000 2.131 267 L HA -0.156 4.177 4.340 -0.012 0.000 0.210 267 L C 2.079 178.950 176.870 0.003 0.000 1.092 267 L CA 1.259 56.081 54.840 -0.029 0.000 0.759 267 L CB -0.676 41.368 42.059 -0.025 0.000 0.903 267 L HN 0.328 nan 8.230 nan 0.000 0.435 268 D N 0.011 120.439 120.400 0.047 0.000 2.348 268 D HA -0.087 4.546 4.640 -0.012 0.000 0.216 268 D C 2.159 178.540 176.300 0.136 0.000 0.970 268 D CA 0.503 54.575 54.000 0.121 0.000 0.889 268 D CB -0.014 40.891 40.800 0.175 0.000 0.912 268 D HN 0.219 nan 8.370 nan 0.000 0.524 269 R N 0.294 120.796 120.500 0.003 0.000 2.159 269 R HA -0.077 4.255 4.340 -0.012 0.000 0.237 269 R C 1.744 177.863 176.300 -0.303 0.000 1.131 269 R CA 0.914 56.816 56.100 -0.330 0.000 0.982 269 R CB -0.292 29.878 30.300 -0.216 0.000 0.868 269 R HN 0.357 nan 8.270 nan 0.000 0.453 270 N N 0.302 118.927 118.700 -0.124 0.000 2.137 270 N HA -0.199 4.534 4.740 -0.012 0.000 0.190 270 N C 1.284 176.750 175.510 -0.073 0.000 1.017 270 N CA 0.843 53.847 53.050 -0.077 0.000 0.859 270 N CB -0.110 38.362 38.487 -0.025 0.000 1.002 270 N HN 0.018 nan 8.380 nan 0.000 0.428 271 L N 1.127 122.324 121.223 -0.044 0.000 2.042 271 L HA -0.161 4.171 4.340 -0.012 0.000 0.210 271 L C 2.462 179.305 176.870 -0.045 0.000 1.076 271 L CA 1.491 56.334 54.840 0.004 0.000 0.749 271 L CB -1.107 41.017 42.059 0.108 0.000 0.893 271 L HN 0.162 nan 8.230 nan 0.000 0.432 272 A N -0.911 121.810 122.820 -0.165 0.000 1.930 272 A HA -0.180 4.133 4.320 -0.012 0.000 0.217 272 A C 2.158 179.639 177.584 -0.172 0.000 1.175 272 A CA 1.508 53.431 52.037 -0.191 0.000 0.627 272 A CB -0.443 18.285 19.000 -0.454 0.000 0.815 272 A HN 0.531 nan 8.150 nan 0.000 0.443 273 E N -0.075 120.024 120.200 -0.168 0.000 2.435 273 E HA -0.055 4.287 4.350 -0.012 0.000 0.195 273 E C 1.045 177.607 176.600 -0.063 0.000 1.029 273 E CA 0.141 56.475 56.400 -0.110 0.000 0.865 273 E CB -0.099 29.551 29.700 -0.084 0.000 0.833 273 E HN 0.460 nan 8.360 nan 0.000 0.510 274 N N 1.049 119.719 118.700 -0.050 0.000 2.364 274 N HA -0.111 4.621 4.740 -0.012 0.000 0.183 274 N C 1.591 177.100 175.510 -0.002 0.000 1.022 274 N CA 0.688 53.737 53.050 -0.001 0.000 0.883 274 N CB -0.052 38.439 38.487 0.006 0.000 0.965 274 N HN 0.261 nan 8.380 nan 0.000 0.438 275 I N 0.402 120.916 120.570 -0.094 0.000 2.151 275 I HA -0.262 3.900 4.170 -0.012 0.000 0.243 275 I C 1.525 177.610 176.117 -0.053 0.000 1.080 275 I CA 1.345 62.559 61.300 -0.144 0.000 1.339 275 I CB -0.230 37.524 38.000 -0.411 0.000 1.039 275 I HN 0.140 nan 8.210 nan 0.000 0.409 276 S N -0.434 115.225 115.700 -0.068 0.000 2.582 276 S HA 0.168 4.630 4.470 -0.012 0.000 0.234 276 S C 1.509 176.241 174.600 0.220 0.000 0.961 276 S CA -0.481 57.765 58.200 0.076 0.000 0.953 276 S CB 0.198 63.425 63.200 0.045 0.000 0.800 276 S HN 0.214 nan 8.310 nan 0.000 0.471 277 R N 1.228 121.862 120.500 0.224 0.000 2.073 277 R HA 0.279 4.611 4.340 -0.012 0.000 0.229 277 R C 0.367 176.925 176.300 0.429 0.000 1.120 277 R CA 1.082 57.358 56.100 0.293 0.000 0.967 277 R CB -0.222 30.214 30.300 0.227 0.000 0.862 277 R HN 0.391 nan 8.270 nan 0.000 0.436 278 V N 0.332 120.459 119.914 0.356 0.000 2.932 278 V HA 0.350 4.463 4.120 -0.012 0.000 0.307 278 V C -1.589 174.475 176.094 -0.049 0.000 1.147 278 V CA -1.376 61.051 62.300 0.212 0.000 0.951 278 V CB 1.797 33.667 31.823 0.080 0.000 1.031 278 V HN 0.151 nan 8.190 nan 0.000 0.426 279 L N 6.743 127.706 121.223 -0.433 0.000 2.410 279 L HA 0.460 4.792 4.340 -0.012 0.000 0.273 279 L C -0.841 175.872 176.870 -0.262 0.000 1.144 279 L CA 0.454 54.842 54.840 -0.753 0.000 0.863 279 L CB 0.459 42.019 42.059 -0.832 0.000 1.140 279 L HN 0.679 nan 8.230 nan 0.000 0.463 280 Y N 7.223 127.430 120.300 -0.154 0.000 2.605 280 Y HA 0.189 4.731 4.550 -0.013 0.000 0.336 280 Y C -1.332 174.557 175.900 -0.017 0.000 1.111 280 Y CA -1.067 57.015 58.100 -0.031 0.000 1.422 280 Y CB 0.393 38.861 38.460 0.014 0.000 1.193 280 Y HN 0.586 nan 8.280 nan 0.000 0.526 281 P HA -0.012 nan 4.420 nan 0.000 0.262 281 P C -0.715 176.718 177.300 0.220 0.000 1.304 281 P CA 0.121 63.327 63.100 0.175 0.000 0.859 281 P CB 0.172 32.061 31.700 0.315 0.000 1.310 282 N N 1.365 120.202 118.700 0.228 0.000 2.663 282 N HA -0.005 4.727 4.740 -0.012 0.000 0.250 282 N C 0.014 175.656 175.510 0.220 0.000 1.129 282 N CA -0.107 53.080 53.050 0.228 0.000 0.995 282 N CB 0.115 38.734 38.487 0.220 0.000 1.324 282 N HN 0.054 nan 8.380 nan 0.000 0.512 283 D N 0.955 121.511 120.400 0.260 0.000 2.325 283 D HA -0.089 4.543 4.640 -0.012 0.000 0.225 283 D C 0.561 177.083 176.300 0.370 0.000 1.096 283 D CA -0.073 54.096 54.000 0.282 0.000 0.844 283 D CB -0.098 40.881 40.800 0.299 0.000 0.925 283 D HN 0.540 nan 8.370 nan 0.000 0.513 284 N N -0.272 118.645 118.700 0.363 0.000 2.460 284 N HA 0.026 4.759 4.740 -0.012 0.000 0.193 284 N C -0.468 175.200 175.510 0.264 0.000 1.080 284 N CA -0.226 53.038 53.050 0.356 0.000 0.869 284 N CB 0.374 38.985 38.487 0.206 0.000 1.201 284 N HN 0.152 nan 8.380 nan 0.000 0.457 285 F N 0.948 120.928 119.950 0.049 0.000 2.607 285 F HA 0.411 4.931 4.527 -0.013 0.000 0.322 285 F C -1.457 174.373 175.800 0.049 0.000 1.176 285 F CA -1.451 56.563 58.000 0.023 0.000 0.977 285 F CB 1.326 40.289 39.000 -0.062 0.000 1.242 285 F HN -0.111 nan 8.300 nan 0.000 0.465 286 F N 5.855 125.467 119.950 -0.563 0.000 2.504 286 F HA 0.346 4.866 4.527 -0.013 0.000 0.369 286 F C -0.272 175.245 175.800 -0.472 0.000 1.082 286 F CA 0.357 58.077 58.000 -0.467 0.000 1.216 286 F CB 0.463 39.173 39.000 -0.484 0.000 1.108 286 F HN 0.512 nan 8.300 nan 0.000 0.554 287 E N 3.796 123.388 120.200 -1.013 0.000 2.176 287 E HA 0.283 4.625 4.350 -0.012 0.000 0.267 287 E C -0.124 175.699 176.600 -1.295 0.000 0.893 287 E CA -0.788 55.118 56.400 -0.823 0.000 0.761 287 E CB 1.699 31.249 29.700 -0.250 0.000 1.133 287 E HN 0.861 nan 8.360 nan 0.000 0.409 288 G N 4.145 112.322 108.800 -1.039 0.000 3.008 288 G HA2 -0.001 3.952 3.960 -0.012 0.000 0.272 288 G HA3 -0.001 3.952 3.960 -0.012 0.000 0.272 288 G C -0.004 174.860 174.900 -0.059 0.000 0.764 288 G CA -0.211 44.486 45.100 -0.672 0.000 2.029 288 G HN 0.116 nan 8.290 nan 0.000 0.587 289 K N 0.968 121.356 120.400 -0.019 0.000 2.183 289 K HA 0.152 4.465 4.320 -0.012 0.000 0.274 289 K C 0.968 177.711 176.600 0.238 0.000 1.009 289 K CA -0.545 55.815 56.287 0.122 0.000 0.888 289 K CB 2.285 34.841 32.500 0.094 0.000 1.078 289 K HN 0.552 nan 8.250 nan 0.000 0.459 290 E N 2.258 122.566 120.200 0.181 0.000 2.085 290 E HA -0.220 4.123 4.350 -0.012 0.000 0.194 290 E C 1.472 178.106 176.600 0.057 0.000 0.994 290 E CA 1.043 57.504 56.400 0.101 0.000 0.801 290 E CB 0.178 29.937 29.700 0.099 0.000 0.743 290 E HN 0.416 nan 8.360 nan 0.000 0.453 291 L N 1.234 122.531 121.223 0.125 0.000 2.079 291 L HA -0.172 4.161 4.340 -0.012 0.000 0.210 291 L C 2.461 179.429 176.870 0.163 0.000 1.081 291 L CA 1.758 56.689 54.840 0.152 0.000 0.752 291 L CB -0.473 41.739 42.059 0.256 0.000 0.896 291 L HN 0.018 nan 8.230 nan 0.000 0.433 292 R N -0.677 119.865 120.500 0.070 0.000 2.075 292 R HA -0.148 4.184 4.340 -0.012 0.000 0.232 292 R C 2.102 178.445 176.300 0.071 0.000 1.126 292 R CA 1.753 57.816 56.100 -0.062 0.000 0.963 292 R CB -1.026 29.016 30.300 -0.431 0.000 0.858 292 R HN 0.385 nan 8.270 nan 0.000 0.435 293 L N 0.998 122.182 121.223 -0.065 0.000 2.042 293 L HA -0.111 4.222 4.340 -0.012 0.000 0.210 293 L C 1.704 178.511 176.870 -0.106 0.000 1.076 293 L CA 1.946 56.533 54.840 -0.422 0.000 0.749 293 L CB -0.454 41.080 42.059 -0.875 0.000 0.893 293 L HN 0.169 nan 8.230 nan 0.000 0.432 294 K N -1.064 119.317 120.400 -0.032 0.000 2.057 294 K HA -0.200 4.113 4.320 -0.012 0.000 0.207 294 K C 2.094 178.846 176.600 0.254 0.000 1.049 294 K CA 1.760 58.083 56.287 0.060 0.000 0.931 294 K CB -0.202 32.153 32.500 -0.242 0.000 0.714 294 K HN 0.503 nan 8.250 nan 0.000 0.440 295 Q N 0.667 120.590 119.800 0.204 0.000 2.061 295 Q HA -0.201 4.131 4.340 -0.012 0.000 0.204 295 Q C 1.989 178.192 176.000 0.338 0.000 0.984 295 Q CA 1.532 57.516 55.803 0.301 0.000 0.846 295 Q CB -0.041 28.895 28.738 0.330 0.000 0.902 295 Q HN 0.392 nan 8.270 nan 0.000 0.421 296 E N -0.249 120.103 120.200 0.253 0.000 2.077 296 E HA -0.212 4.130 4.350 -0.012 0.000 0.193 296 E C 1.754 178.473 176.600 0.199 0.000 0.989 296 E CA 1.057 57.589 56.400 0.220 0.000 0.800 296 E CB -0.149 29.657 29.700 0.176 0.000 0.746 296 E HN 0.331 nan 8.360 nan 0.000 0.452 297 Y N 0.413 120.766 120.300 0.088 0.000 2.263 297 Y HA -0.198 4.344 4.550 -0.012 0.000 0.292 297 Y C 1.975 177.924 175.900 0.082 0.000 1.130 297 Y CA 0.994 59.108 58.100 0.023 0.000 1.179 297 Y CB -0.351 38.092 38.460 -0.029 0.000 0.998 297 Y HN 0.009 nan 8.280 nan 0.000 0.532 298 F N -0.291 119.678 119.950 0.032 0.000 2.065 298 F HA -0.265 4.255 4.527 -0.013 0.000 0.298 298 F C 2.479 178.149 175.800 -0.217 0.000 1.112 298 F CA 2.080 60.049 58.000 -0.052 0.000 1.212 298 F CB -1.070 38.040 39.000 0.183 0.000 0.975 298 F HN -0.055 nan 8.300 nan 0.000 0.476 299 V N -0.516 119.363 119.914 -0.059 0.000 2.427 299 V HA -0.195 3.918 4.120 -0.012 0.000 0.248 299 V C 2.190 178.146 176.094 -0.231 0.000 1.051 299 V CA 1.884 64.117 62.300 -0.111 0.000 1.048 299 V CB -0.354 31.609 31.823 0.233 0.000 0.666 299 V HN 0.268 nan 8.190 nan 0.000 0.456 300 V N 0.392 120.175 119.914 -0.219 0.000 2.307 300 V HA -0.172 3.940 4.120 -0.012 0.000 0.245 300 V C 2.800 178.643 176.094 -0.418 0.000 1.045 300 V CA 2.149 64.303 62.300 -0.242 0.000 1.024 300 V CB -1.024 30.715 31.823 -0.141 0.000 0.651 300 V HN 0.642 nan 8.190 nan 0.000 0.449 301 A N -0.210 122.190 122.820 -0.700 0.000 1.873 301 A HA -0.093 4.219 4.320 -0.012 0.000 0.215 301 A C 2.398 179.623 177.584 -0.597 0.000 1.186 301 A CA 2.079 53.703 52.037 -0.689 0.000 0.616 301 A CB -0.809 17.578 19.000 -1.021 0.000 0.823 301 A HN 0.563 nan 8.150 nan 0.000 0.442 302 A N -1.036 121.270 122.820 -0.855 0.000 1.898 302 A HA -0.067 4.245 4.320 -0.012 0.000 0.216 302 A C 2.312 179.423 177.584 -0.788 0.000 1.181 302 A CA 2.277 53.624 52.037 -1.151 0.000 0.620 302 A CB -1.292 16.380 19.000 -2.214 0.000 0.819 302 A HN 0.424 nan 8.150 nan 0.000 0.442 303 T N 0.237 114.474 114.554 -0.529 0.000 2.708 303 T HA -0.117 4.225 4.350 -0.012 0.000 0.266 303 T C 1.730 176.185 174.700 -0.409 0.000 1.037 303 T CA 1.618 63.530 62.100 -0.313 0.000 1.146 303 T CB -0.320 68.360 68.868 -0.313 0.000 0.865 303 T HN 0.209 nan 8.240 nan 0.000 0.435 304 L N 1.054 122.077 121.223 -0.333 0.000 2.141 304 L HA -0.022 4.310 4.340 -0.012 0.000 0.209 304 L C 2.626 179.391 176.870 -0.174 0.000 1.094 304 L CA 1.534 56.225 54.840 -0.249 0.000 0.763 304 L CB -0.768 41.181 42.059 -0.185 0.000 0.908 304 L HN 0.298 nan 8.230 nan 0.000 0.437 305 Q N -0.982 118.714 119.800 -0.174 0.000 2.084 305 Q HA -0.237 4.095 4.340 -0.012 0.000 0.202 305 Q C 1.803 177.786 176.000 -0.029 0.000 0.978 305 Q CA 1.604 57.355 55.803 -0.087 0.000 0.844 305 Q CB -0.161 28.514 28.738 -0.105 0.000 0.898 305 Q HN 0.422 nan 8.270 nan 0.000 0.426 306 D N 0.604 120.983 120.400 -0.036 0.000 2.097 306 D HA -0.119 4.514 4.640 -0.012 0.000 0.195 306 D C 1.700 177.962 176.300 -0.063 0.000 0.989 306 D CA 0.927 54.953 54.000 0.042 0.000 0.827 306 D CB -0.069 40.855 40.800 0.206 0.000 0.966 306 D HN 0.150 nan 8.370 nan 0.000 0.456 307 I N 0.194 120.612 120.570 -0.254 0.000 2.127 307 I HA -0.270 3.893 4.170 -0.012 0.000 0.241 307 I C 2.364 178.492 176.117 0.017 0.000 1.075 307 I CA 0.862 61.952 61.300 -0.349 0.000 1.334 307 I CB -0.198 37.437 38.000 -0.608 0.000 1.040 307 I HN 0.055 nan 8.210 nan 0.000 0.405 308 I N 0.205 120.843 120.570 0.114 0.000 2.226 308 I HA -0.302 3.860 4.170 -0.012 0.000 0.245 308 I C 2.776 179.060 176.117 0.278 0.000 1.100 308 I CA 1.225 62.706 61.300 0.301 0.000 1.374 308 I CB -0.423 37.711 38.000 0.223 0.000 1.057 308 I HN 0.199 nan 8.210 nan 0.000 0.413 309 R N 1.242 121.840 120.500 0.164 0.000 2.083 309 R HA -0.236 4.096 4.340 -0.012 0.000 0.237 309 R C 2.508 178.895 176.300 0.144 0.000 1.137 309 R CA 1.836 58.023 56.100 0.145 0.000 0.951 309 R CB -0.294 30.082 30.300 0.128 0.000 0.851 309 R HN 0.196 nan 8.270 nan 0.000 0.434 310 R N -0.655 119.927 120.500 0.136 0.000 2.096 310 R HA -0.167 4.166 4.340 -0.012 0.000 0.235 310 R C 2.146 178.542 176.300 0.160 0.000 1.127 310 R CA 1.683 57.865 56.100 0.135 0.000 0.968 310 R CB -0.365 29.998 30.300 0.106 0.000 0.861 310 R HN 0.323 nan 8.270 nan 0.000 0.440 311 F N 1.431 121.414 119.950 0.056 0.000 2.146 311 F HA -0.106 4.413 4.527 -0.013 0.000 0.298 311 F C 1.698 177.500 175.800 0.003 0.000 1.096 311 F CA 1.524 59.544 58.000 0.033 0.000 1.275 311 F CB 0.041 39.105 39.000 0.108 0.000 1.008 311 F HN -0.128 nan 8.300 nan 0.000 0.480 312 K N -0.288 120.077 120.400 -0.059 0.000 2.103 312 K HA -0.020 4.292 4.320 -0.012 0.000 0.204 312 K C 1.425 177.941 176.600 -0.139 0.000 1.052 312 K CA 1.228 57.408 56.287 -0.179 0.000 0.945 312 K CB -0.305 32.197 32.500 0.004 0.000 0.722 312 K HN 0.075 nan 8.250 nan 0.000 0.443 313 S N 1.575 117.259 115.700 -0.028 0.000 2.871 313 S HA 0.099 4.561 4.470 -0.012 0.000 0.254 313 S C -0.074 174.535 174.600 0.016 0.000 1.088 313 S CA -0.222 57.998 58.200 0.035 0.000 1.166 313 S CB 0.010 63.281 63.200 0.119 0.000 0.826 313 S HN 0.116 nan 8.310 nan 0.000 0.471 325 N N 0.715 119.388 118.700 -0.045 0.000 2.527 325 N HA 0.323 5.055 4.740 -0.012 0.000 0.236 325 N C -0.617 174.957 175.510 0.106 0.000 0.999 325 N CA -0.153 52.935 53.050 0.063 0.000 0.935 325 N CB 0.389 38.909 38.487 0.056 0.000 1.132 325 N HN 0.110 nan 8.380 nan 0.000 0.511 326 F N 1.828 121.889 119.950 0.184 0.000 2.811 326 F HA 0.096 4.615 4.527 -0.013 0.000 0.301 326 F C 1.381 177.245 175.800 0.106 0.000 1.151 326 F CA -0.011 58.069 58.000 0.133 0.000 1.412 326 F CB 0.352 39.311 39.000 -0.067 0.000 1.113 326 F HN 0.474 nan 8.300 nan 0.000 0.579 327 D N 0.467 121.008 120.400 0.234 0.000 2.144 327 D HA -0.169 4.464 4.640 -0.012 0.000 0.199 327 D C 2.194 178.586 176.300 0.154 0.000 0.984 327 D CA 1.327 55.422 54.000 0.157 0.000 0.834 327 D CB -0.074 40.794 40.800 0.114 0.000 0.955 327 D HN 0.233 nan 8.370 nan 0.000 0.465 328 A N -0.750 122.190 122.820 0.200 0.000 2.251 328 A HA 0.089 4.402 4.320 -0.012 0.000 0.209 328 A C 1.574 179.280 177.584 0.203 0.000 1.187 328 A CA -0.233 51.920 52.037 0.194 0.000 0.823 328 A CB -0.759 18.361 19.000 0.201 0.000 0.846 328 A HN 0.225 nan 8.150 nan 0.000 0.486 329 F N 1.973 121.887 119.950 -0.061 0.000 2.065 329 F HA -0.147 4.373 4.527 -0.012 0.000 0.298 329 F C -0.769 174.917 175.800 -0.190 0.000 1.112 329 F CA 2.591 60.336 58.000 -0.426 0.000 1.212 329 F CB -0.537 38.203 39.000 -0.433 0.000 0.975 329 F HN 0.203 nan 8.300 nan 0.000 0.476 330 P HA -0.080 nan 4.420 nan 0.000 0.226 330 P C 0.653 177.906 177.300 -0.079 0.000 1.153 330 P CA 1.321 64.384 63.100 -0.062 0.000 0.777 330 P CB -0.078 31.613 31.700 -0.014 0.000 0.794 331 D N -0.671 119.705 120.400 -0.039 0.000 2.317 331 D HA -0.033 4.600 4.640 -0.012 0.000 0.211 331 D C 1.488 177.772 176.300 -0.027 0.000 0.966 331 D CA 0.916 54.906 54.000 -0.016 0.000 0.876 331 D CB 0.131 40.944 40.800 0.021 0.000 0.927 331 D HN 0.136 nan 8.370 nan 0.000 0.519 332 K N -0.076 120.284 120.400 -0.066 0.000 2.412 332 K HA 0.216 4.529 4.320 -0.012 0.000 0.202 332 K C -0.136 176.380 176.600 -0.140 0.000 1.102 332 K CA 0.059 56.319 56.287 -0.046 0.000 1.027 332 K CB 2.362 34.933 32.500 0.119 0.000 0.931 332 K HN -0.073 nan 8.250 nan 0.000 0.557 333 V N 1.136 120.877 119.914 -0.287 0.000 2.623 333 V HA 0.606 4.718 4.120 -0.012 0.000 0.304 333 V C -1.076 174.922 176.094 -0.160 0.000 1.054 333 V CA -1.259 60.867 62.300 -0.289 0.000 0.882 333 V CB 1.781 33.119 31.823 -0.807 0.000 1.002 333 V HN 0.118 nan 8.190 nan 0.000 0.424 334 A N 5.915 128.695 122.820 -0.068 0.000 2.343 334 A HA 0.925 5.237 4.320 -0.012 0.000 0.316 334 A C -0.923 176.677 177.584 0.026 0.000 1.104 334 A CA -0.487 51.538 52.037 -0.020 0.000 0.768 334 A CB 0.955 19.898 19.000 -0.095 0.000 1.213 334 A HN 0.772 nan 8.150 nan 0.000 0.456 335 I N 1.900 122.530 120.570 0.100 0.000 2.382 335 I HA 0.286 4.448 4.170 -0.012 0.000 0.286 335 I C -0.317 175.884 176.117 0.140 0.000 1.002 335 I CA -0.538 60.834 61.300 0.119 0.000 1.135 335 I CB 1.909 39.964 38.000 0.091 0.000 1.288 335 I HN 0.695 nan 8.210 nan 0.000 0.448 336 Q N 6.775 126.650 119.800 0.125 0.000 2.314 336 Q HA 0.500 4.832 4.340 -0.012 0.000 0.259 336 Q C -1.310 174.671 176.000 -0.032 0.000 0.951 336 Q CA -0.238 55.663 55.803 0.164 0.000 0.909 336 Q CB 1.303 30.248 28.738 0.345 0.000 1.236 336 Q HN 0.571 nan 8.270 nan 0.000 0.444 337 L N 3.877 125.127 121.223 0.045 0.000 2.261 337 L HA 0.383 4.716 4.340 -0.012 0.000 0.289 337 L C 0.063 176.946 176.870 0.022 0.000 1.059 337 L CA -0.724 54.135 54.840 0.032 0.000 0.816 337 L CB 0.636 42.769 42.059 0.123 0.000 1.191 337 L HN 0.567 nan 8.230 nan 0.000 0.431 338 N N 4.284 122.920 118.700 -0.106 0.000 2.466 338 N HA 0.042 4.774 4.740 -0.012 0.000 0.263 338 N C -0.123 175.396 175.510 0.016 0.000 1.178 338 N CA 0.556 53.600 53.050 -0.010 0.000 0.983 338 N CB -0.187 38.235 38.487 -0.108 0.000 1.331 338 N HN 0.607 nan 8.380 nan 0.000 0.500 339 D N -0.306 120.186 120.400 0.154 0.000 4.160 339 D HA -0.227 4.405 4.640 -0.012 0.000 0.291 339 D C 0.478 176.871 176.300 0.156 0.000 2.226 339 D CA 1.607 55.682 54.000 0.124 0.000 1.157 339 D CB -0.571 40.033 40.800 -0.326 0.000 1.020 339 D HN 0.488 nan 8.370 nan 0.000 1.219 340 T N -2.529 112.062 114.554 0.062 0.000 3.148 340 T HA 0.063 4.406 4.350 -0.012 0.000 0.253 340 T C 1.658 176.440 174.700 0.136 0.000 1.134 340 T CA 1.657 63.779 62.100 0.036 0.000 1.051 340 T CB -0.533 68.329 68.868 -0.011 0.000 0.959 340 T HN 0.520 nan 8.240 nan 0.000 0.525 341 H N 2.595 121.754 119.070 0.149 0.000 2.352 341 H HA 0.002 4.551 4.556 -0.012 0.000 0.299 341 H C -0.877 174.541 175.328 0.151 0.000 1.097 341 H CA 0.922 57.071 56.048 0.167 0.000 1.311 341 H CB -0.920 28.941 29.762 0.165 0.000 1.377 341 H HN 0.443 nan 8.280 nan 0.000 0.504 342 P HA 0.077 nan 4.420 nan 0.000 0.254 342 P C 0.770 178.117 177.300 0.080 0.000 1.620 342 P CA 0.326 63.508 63.100 0.137 0.000 1.050 342 P CB 0.304 32.073 31.700 0.114 0.000 1.539 343 S N -0.278 115.464 115.700 0.069 0.000 2.440 343 S HA -0.138 4.325 4.470 -0.012 0.000 0.238 343 S C 1.748 176.355 174.600 0.010 0.000 1.010 343 S CA 0.789 58.991 58.200 0.003 0.000 0.972 343 S CB -1.484 61.691 63.200 -0.042 0.000 0.774 343 S HN 0.153 nan 8.310 nan 0.000 0.501 344 L N 0.988 122.231 121.223 0.034 0.000 2.450 344 L HA -0.024 4.309 4.340 -0.012 0.000 0.224 344 L C 2.979 179.886 176.870 0.061 0.000 1.149 344 L CA 0.671 55.533 54.840 0.037 0.000 0.816 344 L CB -0.812 41.272 42.059 0.040 0.000 0.932 344 L HN 0.486 nan 8.230 nan 0.000 0.449 345 A N 0.611 123.448 122.820 0.030 0.000 1.948 345 A HA -0.226 4.086 4.320 -0.012 0.000 0.220 345 A C 2.167 179.751 177.584 0.001 0.000 1.177 345 A CA 1.661 53.700 52.037 0.004 0.000 0.636 345 A CB -0.508 18.487 19.000 -0.008 0.000 0.815 345 A HN 0.381 nan 8.150 nan 0.000 0.449 346 I N 0.206 120.778 120.570 0.003 0.000 2.113 346 I HA -0.144 4.019 4.170 -0.012 0.000 0.238 346 I C -0.356 175.779 176.117 0.030 0.000 1.070 346 I CA 1.599 62.897 61.300 -0.002 0.000 1.332 346 I CB -0.954 37.046 38.000 -0.000 0.000 1.044 346 I HN 0.248 nan 8.210 nan 0.000 0.402 347 P HA -0.159 nan 4.420 nan 0.000 0.221 347 P C 1.262 178.591 177.300 0.048 0.000 1.150 347 P CA 1.420 64.558 63.100 0.062 0.000 0.800 347 P CB 0.038 31.796 31.700 0.096 0.000 0.787 348 E N 0.298 120.589 120.200 0.151 0.000 2.072 348 E HA -0.151 4.191 4.350 -0.012 0.000 0.191 348 E C 1.910 178.500 176.600 -0.017 0.000 0.985 348 E CA 0.687 57.189 56.400 0.171 0.000 0.801 348 E CB -1.191 28.660 29.700 0.251 0.000 0.750 348 E HN 0.002 nan 8.360 nan 0.000 0.452 349 L N -0.041 121.141 121.223 -0.069 0.000 2.046 349 L HA -0.094 4.239 4.340 -0.012 0.000 0.208 349 L C 2.084 178.815 176.870 -0.232 0.000 1.077 349 L CA 1.717 56.456 54.840 -0.167 0.000 0.747 349 L CB -0.527 41.434 42.059 -0.164 0.000 0.896 349 L HN 0.237 nan 8.230 nan 0.000 0.432 350 M N -0.825 118.654 119.600 -0.201 0.000 2.117 350 M HA -0.217 4.255 4.480 -0.012 0.000 0.262 350 M C 2.430 178.569 176.300 -0.268 0.000 1.065 350 M CA 1.537 56.666 55.300 -0.284 0.000 1.114 350 M CB -1.210 31.207 32.600 -0.304 0.000 1.361 350 M HN 0.332 nan 8.290 nan 0.000 0.408 351 R N 0.042 120.410 120.500 -0.219 0.000 2.083 351 R HA -0.134 4.198 4.340 -0.012 0.000 0.237 351 R C 2.078 178.274 176.300 -0.173 0.000 1.137 351 R CA 1.678 57.650 56.100 -0.214 0.000 0.951 351 R CB -0.189 29.931 30.300 -0.300 0.000 0.851 351 R HN 0.209 nan 8.270 nan 0.000 0.434 352 V N 1.435 121.244 119.914 -0.174 0.000 2.295 352 V HA -0.253 3.859 4.120 -0.012 0.000 0.246 352 V C 2.416 178.345 176.094 -0.275 0.000 1.049 352 V CA 1.715 63.904 62.300 -0.185 0.000 1.024 352 V CB -0.399 31.314 31.823 -0.183 0.000 0.648 352 V HN 0.345 nan 8.190 nan 0.000 0.447 353 L N -0.673 120.326 121.223 -0.373 0.000 2.056 353 L HA -0.128 4.204 4.340 -0.012 0.000 0.207 353 L C 2.386 179.069 176.870 -0.311 0.000 1.078 353 L CA 1.137 55.688 54.840 -0.481 0.000 0.749 353 L CB -0.566 41.169 42.059 -0.539 0.000 0.901 353 L HN 0.209 nan 8.230 nan 0.000 0.433 354 V N -0.591 119.187 119.914 -0.228 0.000 2.300 354 V HA -0.179 3.934 4.120 -0.012 0.000 0.241 354 V C 1.938 177.989 176.094 -0.072 0.000 1.034 354 V CA 1.672 63.901 62.300 -0.118 0.000 1.021 354 V CB -0.344 31.442 31.823 -0.061 0.000 0.662 354 V HN 0.342 nan 8.190 nan 0.000 0.458 355 D N -0.090 120.263 120.400 -0.078 0.000 2.194 355 D HA -0.004 4.629 4.640 -0.012 0.000 0.204 355 D C 2.002 178.274 176.300 -0.047 0.000 0.964 355 D CA 1.127 55.099 54.000 -0.047 0.000 0.846 355 D CB 0.097 40.868 40.800 -0.049 0.000 0.962 355 D HN 0.334 nan 8.370 nan 0.000 0.490 356 L N 0.078 121.256 121.223 -0.075 0.000 2.349 356 L HA 0.131 4.464 4.340 -0.012 0.000 0.200 356 L C 1.841 178.678 176.870 -0.056 0.000 1.064 356 L CA 0.450 55.256 54.840 -0.057 0.000 0.821 356 L CB 0.059 42.084 42.059 -0.057 0.000 1.027 356 L HN -0.197 nan 8.230 nan 0.000 0.476 357 E N 0.420 120.551 120.200 -0.115 0.000 2.442 357 E HA 0.030 4.372 4.350 -0.012 0.000 0.195 357 E C 0.130 176.690 176.600 -0.066 0.000 1.030 357 E CA -0.033 56.305 56.400 -0.103 0.000 0.869 357 E CB 0.384 29.901 29.700 -0.305 0.000 0.857 357 E HN 0.201 nan 8.360 nan 0.000 0.505 358 R N -0.442 120.017 120.500 -0.069 0.000 3.878 358 R HA -0.184 4.148 4.340 -0.012 0.000 0.330 358 R C -0.257 176.028 176.300 -0.025 0.000 1.186 358 R CA 0.253 56.337 56.100 -0.028 0.000 0.885 358 R CB -2.801 27.500 30.300 0.003 0.000 1.377 358 R HN 0.086 nan 8.270 nan 0.000 0.523 359 L N 2.546 123.726 121.223 -0.073 0.000 2.452 359 L HA 0.117 4.450 4.340 -0.012 0.000 0.267 359 L C 1.497 178.358 176.870 -0.014 0.000 1.188 359 L CA 0.311 55.118 54.840 -0.055 0.000 0.821 359 L CB 0.349 42.327 42.059 -0.136 0.000 1.102 359 L HN 0.133 nan 8.230 nan 0.000 0.470 360 D N 1.156 121.573 120.400 0.028 0.000 2.362 360 D HA -0.142 4.491 4.640 -0.012 0.000 0.242 360 D C 0.947 177.316 176.300 0.114 0.000 1.132 360 D CA -0.519 53.532 54.000 0.085 0.000 0.907 360 D CB 0.710 41.565 40.800 0.092 0.000 1.195 360 D HN 0.622 nan 8.370 nan 0.000 0.429 361 W N 1.998 123.301 121.300 0.005 0.000 2.317 361 W HA -0.226 4.426 4.660 -0.012 0.000 0.318 361 W C 1.065 177.630 176.519 0.076 0.000 1.227 361 W CA 1.849 59.205 57.345 0.018 0.000 1.269 361 W CB -0.212 29.239 29.460 -0.015 0.000 1.155 361 W HN 0.476 nan 8.180 nan 0.000 0.484 362 D N 0.218 120.808 120.400 0.316 0.000 2.144 362 D HA -0.181 4.451 4.640 -0.012 0.000 0.199 362 D C 1.884 178.284 176.300 0.167 0.000 0.984 362 D CA 1.738 55.902 54.000 0.273 0.000 0.834 362 D CB -0.313 40.622 40.800 0.224 0.000 0.955 362 D HN 0.107 nan 8.370 nan 0.000 0.465 363 K N 1.307 121.763 120.400 0.094 0.000 2.062 363 K HA 0.030 4.343 4.320 -0.012 0.000 0.205 363 K C 1.864 178.453 176.600 -0.019 0.000 1.051 363 K CA 1.334 57.648 56.287 0.045 0.000 0.941 363 K CB -0.478 32.045 32.500 0.039 0.000 0.719 363 K HN -0.025 nan 8.250 nan 0.000 0.440 364 A N 0.738 123.506 122.820 -0.087 0.000 1.908 364 A HA -0.195 4.117 4.320 -0.012 0.000 0.218 364 A C 2.244 179.727 177.584 -0.169 0.000 1.181 364 A CA 1.545 53.461 52.037 -0.202 0.000 0.627 364 A CB -1.254 17.564 19.000 -0.304 0.000 0.818 364 A HN 0.702 nan 8.150 nan 0.000 0.445 365 W N 0.638 121.723 121.300 -0.358 0.000 2.358 365 W HA -0.177 4.475 4.660 -0.012 0.000 0.303 365 W C 1.989 178.444 176.519 -0.108 0.000 1.208 365 W CA 1.866 59.048 57.345 -0.271 0.000 1.274 365 W CB -0.128 29.203 29.460 -0.214 0.000 1.138 365 W HN 0.620 nan 8.180 nan 0.000 0.515 366 E N 0.089 120.268 120.200 -0.035 0.000 2.085 366 E HA -0.225 4.117 4.350 -0.012 0.000 0.194 366 E C 2.051 178.567 176.600 -0.141 0.000 0.994 366 E CA 1.933 58.281 56.400 -0.087 0.000 0.801 366 E CB -0.310 29.401 29.700 0.019 0.000 0.743 366 E HN 0.055 nan 8.360 nan 0.000 0.453 367 V N 0.734 120.581 119.914 -0.112 0.000 2.295 367 V HA -0.263 3.850 4.120 -0.012 0.000 0.246 367 V C 2.391 178.412 176.094 -0.123 0.000 1.049 367 V CA 2.189 64.441 62.300 -0.080 0.000 1.024 367 V CB -0.783 30.988 31.823 -0.086 0.000 0.648 367 V HN 0.388 nan 8.190 nan 0.000 0.447 368 T N 0.062 114.469 114.554 -0.245 0.000 2.652 368 T HA -0.184 4.158 4.350 -0.012 0.000 0.267 368 T C 1.960 176.473 174.700 -0.312 0.000 1.039 368 T CA 1.798 63.727 62.100 -0.286 0.000 1.153 368 T CB -0.318 68.320 68.868 -0.385 0.000 0.863 368 T HN 0.270 nan 8.240 nan 0.000 0.428 369 V N 1.468 121.078 119.914 -0.506 0.000 2.287 369 V HA -0.200 3.912 4.120 -0.012 0.000 0.248 369 V C 2.355 178.391 176.094 -0.096 0.000 1.053 369 V CA 1.719 63.785 62.300 -0.390 0.000 1.027 369 V CB -0.510 31.012 31.823 -0.502 0.000 0.646 369 V HN 0.467 nan 8.190 nan 0.000 0.447 370 K N -0.538 119.784 120.400 -0.130 0.000 2.362 370 K HA -0.087 4.226 4.320 -0.012 0.000 0.200 370 K C 2.052 178.579 176.600 -0.121 0.000 1.046 370 K CA 1.481 57.661 56.287 -0.178 0.000 0.952 370 K CB -0.201 32.209 32.500 -0.150 0.000 0.753 370 K HN 0.485 nan 8.250 nan 0.000 0.466 371 T N 0.056 114.614 114.554 0.007 0.000 2.976 371 T HA 0.026 4.369 4.350 -0.012 0.000 0.257 371 T C 0.868 175.665 174.700 0.161 0.000 1.051 371 T CA 0.393 62.541 62.100 0.080 0.000 1.141 371 T CB 0.129 69.086 68.868 0.147 0.000 0.881 371 T HN 0.162 nan 8.240 nan 0.000 0.461 372 C N 2.257 121.645 119.300 0.147 0.000 2.365 372 C HA 0.895 5.348 4.460 -0.012 0.000 0.351 372 C C 0.521 175.592 174.990 0.136 0.000 1.240 372 C CA -1.205 57.887 59.018 0.124 0.000 2.062 372 C CB 0.267 28.016 27.740 0.016 0.000 2.387 372 C HN 0.593 nan 8.230 nan 0.000 0.537 373 A N 2.011 124.900 122.820 0.115 0.000 2.515 373 A HA 0.771 5.084 4.320 -0.012 0.000 0.298 373 A C -1.593 176.067 177.584 0.127 0.000 1.059 373 A CA -0.421 51.632 52.037 0.027 0.000 0.698 373 A CB 1.070 20.083 19.000 0.023 0.000 1.289 373 A HN 0.951 nan 8.150 nan 0.000 0.404 374 Y N 1.039 121.291 120.300 -0.080 0.000 2.376 374 Y HA 0.649 5.191 4.550 -0.012 0.000 0.340 374 Y C -0.564 175.314 175.900 -0.036 0.000 0.965 374 Y CA -0.313 57.749 58.100 -0.064 0.000 1.078 374 Y CB 2.097 40.476 38.460 -0.135 0.000 1.193 374 Y HN 0.574 nan 8.280 nan 0.000 0.452 375 T N 6.502 120.801 114.554 -0.425 0.000 2.770 375 T HA 0.200 4.543 4.350 -0.012 0.000 0.283 375 T C -0.826 173.387 174.700 -0.812 0.000 0.988 375 T CA -0.830 60.968 62.100 -0.503 0.000 0.957 375 T CB 0.538 69.362 68.868 -0.074 0.000 0.930 375 T HN 0.657 nan 8.240 nan 0.000 0.443 376 N N 1.658 119.891 118.700 -0.780 0.000 2.498 376 N HA 0.144 4.876 4.740 -0.012 0.000 0.287 376 N C 0.002 175.367 175.510 -0.241 0.000 1.097 376 N CA -0.323 52.511 53.050 -0.359 0.000 0.973 376 N CB 0.803 39.265 38.487 -0.041 0.000 1.153 376 N HN 0.672 nan 8.380 nan 0.000 0.472 377 H N 0.813 119.914 119.070 0.052 0.000 3.058 377 H HA 0.174 4.722 4.556 -0.013 0.000 0.266 377 H C -0.226 175.027 175.328 -0.125 0.000 1.135 377 H CA -0.018 56.011 56.048 -0.032 0.000 1.174 377 H CB 1.181 30.927 29.762 -0.026 0.000 1.581 377 H HN 0.519 nan 8.280 nan 0.000 0.553 378 T N 0.299 114.881 114.554 0.046 0.000 2.886 378 T HA 0.214 4.557 4.350 -0.012 0.000 0.330 378 T C 0.430 175.147 174.700 0.029 0.000 1.488 378 T CA -0.344 61.726 62.100 -0.049 0.000 1.054 378 T CB 1.348 70.167 68.868 -0.081 0.000 1.348 378 T HN -0.039 nan 8.240 nan 0.000 0.489 379 V N 1.699 121.594 119.914 -0.031 0.000 3.578 379 V HA 0.554 4.666 4.120 -0.012 0.000 0.290 379 V C 0.652 176.705 176.094 -0.068 0.000 1.376 379 V CA 0.038 62.306 62.300 -0.053 0.000 1.083 379 V CB -0.380 31.413 31.823 -0.050 0.000 0.911 379 V HN 0.683 nan 8.190 nan 0.000 0.433 380 L N 3.199 124.374 121.223 -0.080 0.000 2.500 380 L HA 0.241 4.574 4.340 -0.012 0.000 0.272 380 L C -0.667 176.191 176.870 -0.021 0.000 1.149 380 L CA -1.066 53.749 54.840 -0.042 0.000 0.897 380 L CB 0.928 42.952 42.059 -0.059 0.000 1.178 380 L HN 0.142 nan 8.230 nan 0.000 0.473 381 P HA -0.197 nan 4.420 nan 0.000 0.218 381 P C 1.008 178.283 177.300 -0.041 0.000 1.149 381 P CA 1.128 64.214 63.100 -0.024 0.000 0.817 381 P CB 0.092 31.786 31.700 -0.009 0.000 0.785 382 E N 0.552 120.749 120.200 -0.005 0.000 2.347 382 E HA -0.073 4.270 4.350 -0.012 0.000 0.196 382 E C 1.637 178.158 176.600 -0.132 0.000 1.008 382 E CA 1.133 57.495 56.400 -0.063 0.000 0.852 382 E CB -0.791 28.997 29.700 0.147 0.000 0.783 382 E HN 0.192 nan 8.360 nan 0.000 0.505 383 A N 1.317 124.113 122.820 -0.040 0.000 2.132 383 A HA 0.218 4.530 4.320 -0.012 0.000 0.213 383 A C 1.409 178.961 177.584 -0.053 0.000 1.154 383 A CA -0.246 51.788 52.037 -0.006 0.000 0.753 383 A CB -0.125 18.896 19.000 0.034 0.000 0.826 383 A HN 0.159 nan 8.150 nan 0.000 0.469 384 L N 1.415 122.565 121.223 -0.122 0.000 2.416 384 L HA 0.129 4.462 4.340 -0.012 0.000 0.272 384 L C -0.073 176.476 176.870 -0.534 0.000 1.161 384 L CA -0.178 54.541 54.840 -0.202 0.000 0.845 384 L CB 0.528 42.503 42.059 -0.140 0.000 1.119 384 L HN 0.339 nan 8.230 nan 0.000 0.464 385 E N 4.102 123.898 120.200 -0.673 0.000 2.217 385 E HA 0.193 4.535 4.350 -0.012 0.000 0.279 385 E C -0.620 175.359 176.600 -1.035 0.000 1.068 385 E CA -0.114 55.435 56.400 -1.417 0.000 0.882 385 E CB 0.629 29.831 29.700 -0.829 0.000 1.039 385 E HN 0.397 nan 8.360 nan 0.000 0.418 386 R N 3.747 123.518 120.500 -1.216 0.000 2.407 386 R HA 0.197 4.530 4.340 -0.012 0.000 0.298 386 R C -1.217 174.925 176.300 -0.263 0.000 1.166 386 R CA -0.577 55.234 56.100 -0.481 0.000 1.006 386 R CB 0.820 30.963 30.300 -0.262 0.000 1.145 386 R HN 0.447 nan 8.270 nan 0.000 0.538 387 W N 4.567 125.830 121.300 -0.062 0.000 2.311 387 W HA 0.251 4.903 4.660 -0.013 0.000 0.310 387 W C -1.867 174.638 176.519 -0.023 0.000 1.274 387 W CA -2.059 55.315 57.345 0.048 0.000 1.215 387 W CB 0.676 30.139 29.460 0.004 0.000 1.227 387 W HN 0.261 nan 8.180 nan 0.000 0.523 388 P HA -0.111 nan 4.420 nan 0.000 0.262 388 P C 0.807 178.046 177.300 -0.100 0.000 1.182 388 P CA 0.281 63.354 63.100 -0.044 0.000 0.761 388 P CB 0.714 32.222 31.700 -0.320 0.000 0.795 389 V N 3.243 123.141 119.914 -0.027 0.000 2.407 389 V HA -0.280 3.833 4.120 -0.012 0.000 0.248 389 V C 2.127 178.226 176.094 0.008 0.000 1.055 389 V CA 2.519 64.831 62.300 0.021 0.000 1.049 389 V CB -1.669 30.230 31.823 0.128 0.000 0.662 389 V HN 0.759 nan 8.190 nan 0.000 0.455 390 H N -1.091 118.043 119.070 0.106 0.000 2.456 390 H HA -0.078 4.471 4.556 -0.012 0.000 0.296 390 H C 2.007 177.389 175.328 0.090 0.000 1.079 390 H CA 1.578 57.683 56.048 0.095 0.000 1.322 390 H CB -0.614 29.204 29.762 0.093 0.000 1.388 390 H HN 0.349 nan 8.280 nan 0.000 0.538 391 L N -0.039 121.082 121.223 -0.170 0.000 2.027 391 L HA -0.099 4.234 4.340 -0.012 0.000 0.206 391 L C 2.364 179.205 176.870 -0.048 0.000 1.074 391 L CA 1.097 55.922 54.840 -0.025 0.000 0.745 391 L CB -0.274 41.766 42.059 -0.031 0.000 0.898 391 L HN 0.318 nan 8.230 nan 0.000 0.433 392 L N -0.616 120.550 121.223 -0.095 0.000 2.141 392 L HA -0.211 4.121 4.340 -0.012 0.000 0.209 392 L C 2.480 179.293 176.870 -0.095 0.000 1.094 392 L CA 0.990 55.742 54.840 -0.147 0.000 0.763 392 L CB -0.369 41.589 42.059 -0.169 0.000 0.908 392 L HN 0.300 nan 8.230 nan 0.000 0.437 393 E N -0.365 119.822 120.200 -0.021 0.000 2.085 393 E HA -0.211 4.132 4.350 -0.012 0.000 0.194 393 E C 1.930 178.571 176.600 0.068 0.000 0.994 393 E CA 1.911 58.329 56.400 0.029 0.000 0.801 393 E CB 0.145 29.901 29.700 0.093 0.000 0.743 393 E HN 0.402 nan 8.360 nan 0.000 0.453 394 T N 0.673 115.292 114.554 0.109 0.000 2.809 394 T HA -0.082 4.261 4.350 -0.012 0.000 0.260 394 T C 1.727 176.550 174.700 0.205 0.000 1.039 394 T CA 0.818 63.034 62.100 0.194 0.000 1.141 394 T CB -0.145 68.868 68.868 0.242 0.000 0.869 394 T HN 0.074 nan 8.240 nan 0.000 0.437 395 L N -0.010 121.234 121.223 0.036 0.000 2.127 395 L HA 0.343 4.676 4.340 -0.012 0.000 0.203 395 L C 0.409 177.227 176.870 -0.086 0.000 1.080 395 L CA 1.582 56.328 54.840 -0.158 0.000 0.768 395 L CB 0.029 41.950 42.059 -0.229 0.000 0.924 395 L HN 0.169 nan 8.230 nan 0.000 0.444 396 L N 0.750 121.878 121.223 -0.157 0.000 2.551 396 L HA 0.295 4.628 4.340 -0.012 0.000 0.248 396 L C -1.691 174.996 176.870 -0.305 0.000 1.509 396 L CA -0.982 53.672 54.840 -0.310 0.000 0.842 396 L CB 0.888 42.614 42.059 -0.555 0.000 1.087 396 L HN -0.047 nan 8.230 nan 0.000 0.512 397 P HA -0.198 nan 4.420 nan 0.000 0.216 397 P C 1.453 178.562 177.300 -0.318 0.000 1.150 397 P CA 1.140 64.119 63.100 -0.201 0.000 0.837 397 P CB 0.387 32.042 31.700 -0.075 0.000 0.786 398 R N -0.208 119.923 120.500 -0.615 0.000 2.090 398 R HA -0.121 4.212 4.340 -0.012 0.000 0.228 398 R C 2.299 178.301 176.300 -0.497 0.000 1.110 398 R CA 1.594 57.340 56.100 -0.590 0.000 0.973 398 R CB -1.637 28.148 30.300 -0.858 0.000 0.869 398 R HN 0.239 nan 8.270 nan 0.000 0.440 399 H N -0.258 118.506 119.070 -0.511 0.000 2.387 399 H HA -0.057 4.492 4.556 -0.012 0.000 0.299 399 H C 1.813 176.968 175.328 -0.290 0.000 1.090 399 H CA 1.671 57.502 56.048 -0.362 0.000 1.332 399 H CB -0.134 29.379 29.762 -0.416 0.000 1.386 399 H HN 0.075 nan 8.280 nan 0.000 0.516 400 L N 0.583 121.678 121.223 -0.213 0.000 2.012 400 L HA -0.272 4.061 4.340 -0.012 0.000 0.210 400 L C 1.947 178.602 176.870 -0.358 0.000 1.073 400 L CA 1.699 56.336 54.840 -0.338 0.000 0.748 400 L CB -0.356 41.518 42.059 -0.308 0.000 0.891 400 L HN 0.454 nan 8.230 nan 0.000 0.431 401 Q N -0.335 119.368 119.800 -0.162 0.000 2.096 401 Q HA -0.252 4.081 4.340 -0.012 0.000 0.204 401 Q C 2.158 178.167 176.000 0.016 0.000 0.982 401 Q CA 1.770 57.570 55.803 -0.004 0.000 0.850 401 Q CB -0.129 28.618 28.738 0.016 0.000 0.901 401 Q HN 0.575 nan 8.270 nan 0.000 0.422 402 I N 0.259 120.820 120.570 -0.015 0.000 2.315 402 I HA -0.257 3.906 4.170 -0.012 0.000 0.248 402 I C 2.133 178.323 176.117 0.121 0.000 1.117 402 I CA 0.926 62.301 61.300 0.125 0.000 1.404 402 I CB -0.131 37.903 38.000 0.055 0.000 1.071 402 I HN 0.198 nan 8.210 nan 0.000 0.419 403 I N -0.363 120.197 120.570 -0.018 0.000 2.226 403 I HA -0.320 3.843 4.170 -0.012 0.000 0.245 403 I C 2.405 178.541 176.117 0.032 0.000 1.100 403 I CA 1.439 62.719 61.300 -0.033 0.000 1.374 403 I CB -0.384 37.531 38.000 -0.140 0.000 1.057 403 I HN 0.153 nan 8.210 nan 0.000 0.413 404 Y N 0.810 121.117 120.300 0.011 0.000 2.181 404 Y HA -0.270 4.273 4.550 -0.012 0.000 0.288 404 Y C 2.601 178.470 175.900 -0.052 0.000 1.146 404 Y CA 1.478 59.571 58.100 -0.012 0.000 1.164 404 Y CB -0.800 37.645 38.460 -0.024 0.000 0.982 404 Y HN 0.194 nan 8.280 nan 0.000 0.515 405 E N 0.368 120.611 120.200 0.071 0.000 2.072 405 E HA -0.132 4.210 4.350 -0.012 0.000 0.191 405 E C 2.092 178.619 176.600 -0.123 0.000 0.985 405 E CA 1.180 57.486 56.400 -0.156 0.000 0.801 405 E CB -0.528 28.918 29.700 -0.423 0.000 0.750 405 E HN 0.464 nan 8.360 nan 0.000 0.452 406 I N 0.717 121.317 120.570 0.050 0.000 2.163 406 I HA -0.309 3.854 4.170 -0.012 0.000 0.243 406 I C 2.274 178.396 176.117 0.009 0.000 1.085 406 I CA 1.439 62.719 61.300 -0.033 0.000 1.347 406 I CB -0.433 37.546 38.000 -0.034 0.000 1.044 406 I HN 0.206 nan 8.210 nan 0.000 0.408 407 N N 0.674 119.425 118.700 0.085 0.000 2.069 407 N HA -0.270 4.462 4.740 -0.012 0.000 0.191 407 N C 1.864 177.459 175.510 0.142 0.000 1.031 407 N CA 1.580 54.727 53.050 0.161 0.000 0.852 407 N CB -0.171 38.430 38.487 0.190 0.000 1.018 407 N HN 0.348 nan 8.380 nan 0.000 0.423 408 Q N 0.092 119.922 119.800 0.049 0.000 2.050 408 Q HA -0.127 4.206 4.340 -0.012 0.000 0.202 408 Q C 2.033 178.020 176.000 -0.021 0.000 0.980 408 Q CA 1.314 57.112 55.803 -0.008 0.000 0.840 408 Q CB -0.026 28.668 28.738 -0.073 0.000 0.898 408 Q HN 0.363 nan 8.270 nan 0.000 0.424 409 R N -0.612 119.853 120.500 -0.058 0.000 2.096 409 R HA -0.141 4.192 4.340 -0.012 0.000 0.235 409 R C 2.191 178.516 176.300 0.041 0.000 1.127 409 R CA 1.457 57.521 56.100 -0.060 0.000 0.968 409 R CB -0.390 29.825 30.300 -0.142 0.000 0.861 409 R HN 0.284 nan 8.270 nan 0.000 0.440 410 F N 1.351 121.272 119.950 -0.047 0.000 2.102 410 F HA -0.115 4.404 4.527 -0.013 0.000 0.298 410 F C 1.837 177.656 175.800 0.032 0.000 1.105 410 F CA 1.383 59.402 58.000 0.031 0.000 1.239 410 F CB -0.184 38.864 39.000 0.080 0.000 0.991 410 F HN -0.107 nan 8.300 nan 0.000 0.474 411 L N -0.055 121.182 121.223 0.023 0.000 2.201 411 L HA -0.218 4.114 4.340 -0.012 0.000 0.212 411 L C 1.955 178.763 176.870 -0.103 0.000 1.105 411 L CA 1.467 56.260 54.840 -0.078 0.000 0.775 411 L CB -0.874 41.200 42.059 0.025 0.000 0.913 411 L HN 0.249 nan 8.230 nan 0.000 0.440 412 N N -0.162 118.495 118.700 -0.072 0.000 2.166 412 N HA -0.158 4.574 4.740 -0.012 0.000 0.186 412 N C 1.905 177.362 175.510 -0.088 0.000 1.019 412 N CA 0.788 53.796 53.050 -0.069 0.000 0.856 412 N CB 0.002 38.455 38.487 -0.056 0.000 0.993 412 N HN 0.283 nan 8.380 nan 0.000 0.426 413 R N 0.507 120.935 120.500 -0.119 0.000 2.092 413 R HA -0.036 4.296 4.340 -0.012 0.000 0.231 413 R C 2.146 178.345 176.300 -0.168 0.000 1.119 413 R CA 0.814 56.835 56.100 -0.130 0.000 0.970 413 R CB -0.287 29.941 30.300 -0.120 0.000 0.864 413 R HN 0.094 nan 8.270 nan 0.000 0.440 414 V N 0.978 120.741 119.914 -0.252 0.000 2.307 414 V HA -0.225 3.887 4.120 -0.012 0.000 0.245 414 V C 2.446 178.535 176.094 -0.010 0.000 1.045 414 V CA 1.967 64.180 62.300 -0.146 0.000 1.024 414 V CB -0.714 30.951 31.823 -0.263 0.000 0.651 414 V HN 0.390 nan 8.190 nan 0.000 0.449 415 A N 0.001 122.791 122.820 -0.051 0.000 1.940 415 A HA -0.115 4.197 4.320 -0.012 0.000 0.219 415 A C 2.361 179.926 177.584 -0.033 0.000 1.176 415 A CA 2.101 54.125 52.037 -0.022 0.000 0.631 415 A CB -0.669 18.310 19.000 -0.035 0.000 0.814 415 A HN 0.582 nan 8.150 nan 0.000 0.446 416 A N -0.684 122.098 122.820 -0.064 0.000 2.014 416 A HA 0.332 4.645 4.320 -0.012 0.000 0.218 416 A C 2.340 179.843 177.584 -0.135 0.000 1.163 416 A CA 1.630 53.618 52.037 -0.081 0.000 0.652 416 A CB -0.605 18.350 19.000 -0.075 0.000 0.808 416 A HN 0.937 nan 8.150 nan 0.000 0.449 417 A N -1.601 121.102 122.820 -0.194 0.000 1.984 417 A HA 0.403 4.716 4.320 -0.012 0.000 0.214 417 A C 0.404 177.580 177.584 -0.681 0.000 1.173 417 A CA 0.472 52.240 52.037 -0.448 0.000 0.673 417 A CB -0.111 18.564 19.000 -0.541 0.000 0.830 417 A HN 0.402 nan 8.150 nan 0.000 0.453 418 F N 0.213 120.116 119.950 -0.079 0.000 2.622 418 F HA 0.349 4.868 4.527 -0.013 0.000 0.338 418 F C -2.803 172.960 175.800 -0.061 0.000 1.334 418 F CA -2.775 55.184 58.000 -0.069 0.000 1.179 418 F CB 0.930 39.881 39.000 -0.082 0.000 1.471 418 F HN -0.059 nan 8.300 nan 0.000 0.576 419 P HA 0.240 nan 4.420 nan 0.000 0.267 419 P C 0.956 178.275 177.300 0.032 0.000 1.205 419 P CA 0.729 63.841 63.100 0.020 0.000 0.765 419 P CB 1.012 32.706 31.700 -0.011 0.000 0.828 420 G N 2.454 111.267 108.800 0.021 0.000 2.176 420 G HA2 -0.228 3.724 3.960 -0.012 0.000 0.253 420 G HA3 -0.228 3.724 3.960 -0.012 0.000 0.253 420 G C 0.237 175.146 174.900 0.014 0.000 0.979 420 G CA -0.070 45.038 45.100 0.013 0.000 0.641 420 G HN 0.596 nan 8.290 nan 0.000 0.530 421 D N 1.381 121.797 120.400 0.027 0.000 2.558 421 D HA 0.398 5.031 4.640 -0.012 0.000 0.221 421 D C 2.108 178.397 176.300 -0.018 0.000 1.143 421 D CA 0.349 54.350 54.000 0.002 0.000 1.010 421 D CB 0.401 41.200 40.800 -0.002 0.000 1.068 421 D HN 0.556 nan 8.370 nan 0.000 0.511 422 V N 0.709 120.614 119.914 -0.014 0.000 2.407 422 V HA -0.170 3.943 4.120 -0.012 0.000 0.248 422 V C 1.800 177.882 176.094 -0.020 0.000 1.055 422 V CA 1.639 63.930 62.300 -0.015 0.000 1.049 422 V CB -0.511 31.307 31.823 -0.009 0.000 0.662 422 V HN 0.230 nan 8.190 nan 0.000 0.455 423 D N 0.254 120.638 120.400 -0.026 0.000 2.149 423 D HA -0.156 4.476 4.640 -0.012 0.000 0.201 423 D C 2.347 178.619 176.300 -0.046 0.000 0.972 423 D CA 1.247 55.232 54.000 -0.026 0.000 0.835 423 D CB -0.201 40.585 40.800 -0.024 0.000 0.966 423 D HN 0.419 nan 8.370 nan 0.000 0.476 424 R N -0.095 120.353 120.500 -0.086 0.000 2.091 424 R HA -0.114 4.218 4.340 -0.012 0.000 0.238 424 R C 2.278 178.510 176.300 -0.113 0.000 1.136 424 R CA 0.986 56.998 56.100 -0.146 0.000 0.959 424 R CB -0.297 29.854 30.300 -0.247 0.000 0.856 424 R HN 0.264 nan 8.270 nan 0.000 0.437 425 L N 0.509 121.690 121.223 -0.072 0.000 2.042 425 L HA -0.225 4.107 4.340 -0.012 0.000 0.210 425 L C 2.684 179.557 176.870 0.006 0.000 1.076 425 L CA 1.934 56.751 54.840 -0.038 0.000 0.749 425 L CB -0.450 41.595 42.059 -0.022 0.000 0.893 425 L HN 0.309 nan 8.230 nan 0.000 0.432 426 R N -0.080 120.429 120.500 0.014 0.000 2.119 426 R HA -0.068 4.265 4.340 -0.012 0.000 0.222 426 R C 2.160 178.510 176.300 0.083 0.000 1.088 426 R CA 0.849 56.978 56.100 0.050 0.000 0.984 426 R CB -0.452 29.871 30.300 0.039 0.000 0.884 426 R HN 0.167 nan 8.270 nan 0.000 0.447 427 R N 0.149 120.681 120.500 0.053 0.000 2.092 427 R HA 0.101 4.433 4.340 -0.012 0.000 0.231 427 R C 1.966 178.353 176.300 0.145 0.000 1.119 427 R CA 1.780 57.937 56.100 0.095 0.000 0.970 427 R CB -0.178 30.139 30.300 0.029 0.000 0.864 427 R HN 0.331 nan 8.270 nan 0.000 0.440 428 M N 0.030 119.638 119.600 0.014 0.000 2.509 428 M HA 0.052 4.525 4.480 -0.012 0.000 0.250 428 M C 0.804 177.251 176.300 0.245 0.000 1.132 428 M CA -0.021 55.228 55.300 -0.085 0.000 1.080 428 M CB 0.511 32.896 32.600 -0.357 0.000 1.408 428 M HN -0.093 nan 8.290 nan 0.000 0.484 429 S N 1.207 117.066 115.700 0.265 0.000 2.558 429 S HA 0.050 4.513 4.470 -0.012 0.000 0.293 429 S C 1.196 176.046 174.600 0.417 0.000 1.292 429 S CA -0.232 58.150 58.200 0.303 0.000 1.063 429 S CB 0.529 63.851 63.200 0.203 0.000 0.831 429 S HN 0.362 nan 8.310 nan 0.000 0.499 430 L N 4.337 125.759 121.223 0.332 0.000 2.217 430 L HA 0.057 4.390 4.340 -0.012 0.000 0.211 430 L C 0.436 177.418 176.870 0.186 0.000 1.107 430 L CA 0.442 55.438 54.840 0.259 0.000 0.783 430 L CB -0.500 41.654 42.059 0.158 0.000 0.919 430 L HN 0.415 nan 8.230 nan 0.000 0.442 431 V N 0.941 120.975 119.914 0.200 0.000 2.383 431 V HA 0.147 4.260 4.120 -0.012 0.000 0.275 431 V C 0.103 176.285 176.094 0.147 0.000 1.036 431 V CA -0.560 61.847 62.300 0.178 0.000 0.889 431 V CB 1.240 33.201 31.823 0.230 0.000 0.985 431 V HN 0.184 nan 8.190 nan 0.000 0.459 432 E N 3.395 123.661 120.200 0.111 0.000 2.174 432 E HA 0.397 4.739 4.350 -0.012 0.000 0.282 432 E C -0.662 175.989 176.600 0.085 0.000 0.992 432 E CA -0.547 55.907 56.400 0.090 0.000 0.803 432 E CB 1.809 31.542 29.700 0.054 0.000 1.090 432 E HN 0.615 nan 8.360 nan 0.000 0.396 433 E N 0.933 121.179 120.200 0.078 0.000 2.345 433 E HA 0.608 4.950 4.350 -0.012 0.000 0.259 433 E C 0.196 176.832 176.600 0.060 0.000 1.117 433 E CA 0.336 56.776 56.400 0.067 0.000 0.913 433 E CB 1.438 31.172 29.700 0.055 0.000 1.057 433 E HN 0.647 nan 8.360 nan 0.000 0.432 434 G N -0.350 108.485 108.800 0.058 0.000 2.332 434 G HA2 0.268 4.221 3.960 -0.012 0.000 0.265 434 G HA3 0.268 4.221 3.960 -0.012 0.000 0.265 434 G C 0.366 175.300 174.900 0.057 0.000 1.329 434 G CA 0.133 45.265 45.100 0.053 0.000 0.949 434 G HN 0.581 nan 8.290 nan 0.000 0.476 435 A N -0.756 122.098 122.820 0.056 0.000 1.852 435 A HA 0.294 4.606 4.320 -0.012 0.000 0.217 435 A C 1.717 179.347 177.584 0.077 0.000 1.215 435 A CA 3.735 55.807 52.037 0.059 0.000 0.641 435 A CB -1.384 17.650 19.000 0.056 0.000 0.838 435 A HN 2.276 nan 8.150 nan 0.000 0.450 436 V N -2.691 117.281 119.914 0.096 0.000 2.472 436 V HA 0.500 4.613 4.120 -0.012 0.000 0.290 436 V C -0.288 175.877 176.094 0.118 0.000 1.037 436 V CA -1.364 61.017 62.300 0.134 0.000 0.908 436 V CB 1.263 33.196 31.823 0.183 0.000 0.985 436 V HN 0.345 nan 8.190 nan 0.000 0.454 437 K N 3.972 124.451 120.400 0.131 0.000 2.326 437 K HA 0.488 4.800 4.320 -0.012 0.000 0.275 437 K C -0.356 176.311 176.600 0.111 0.000 1.018 437 K CA -0.166 56.193 56.287 0.120 0.000 0.962 437 K CB 0.870 33.454 32.500 0.139 0.000 0.953 437 K HN 0.735 nan 8.250 nan 0.000 0.475 438 R N 1.640 122.196 120.500 0.094 0.000 2.771 438 R HA 0.443 4.776 4.340 -0.012 0.000 0.274 438 R C -0.677 175.664 176.300 0.069 0.000 0.987 438 R CA -0.979 55.166 56.100 0.074 0.000 0.908 438 R CB 1.355 31.680 30.300 0.042 0.000 1.213 438 R HN 0.382 nan 8.270 nan 0.000 0.468 439 I N 2.131 122.740 120.570 0.064 0.000 2.315 439 I HA 0.137 4.299 4.170 -0.012 0.000 0.291 439 I C 0.007 176.113 176.117 -0.018 0.000 1.006 439 I CA -0.662 60.663 61.300 0.042 0.000 1.265 439 I CB 0.909 38.932 38.000 0.040 0.000 1.387 439 I HN 0.491 nan 8.210 nan 0.000 0.475 440 N N 7.183 125.842 118.700 -0.068 0.000 2.402 440 N HA 0.081 4.814 4.740 -0.012 0.000 0.252 440 N C 0.809 176.222 175.510 -0.162 0.000 1.118 440 N CA -0.300 52.629 53.050 -0.201 0.000 0.945 440 N CB 0.937 39.161 38.487 -0.439 0.000 1.147 440 N HN 0.372 nan 8.380 nan 0.000 0.495 441 M N 2.434 121.940 119.600 -0.157 0.000 2.296 441 M HA -0.045 4.428 4.480 -0.012 0.000 0.265 441 M C 1.909 178.063 176.300 -0.242 0.000 1.064 441 M CA 0.649 55.872 55.300 -0.128 0.000 1.109 441 M CB -1.522 31.049 32.600 -0.049 0.000 1.396 441 M HN 0.603 nan 8.290 nan 0.000 0.430 442 A N -0.489 122.178 122.820 -0.254 0.000 1.930 442 A HA -0.167 4.145 4.320 -0.012 0.000 0.217 442 A C 1.992 179.333 177.584 -0.406 0.000 1.175 442 A CA 1.422 53.255 52.037 -0.341 0.000 0.627 442 A CB -1.095 17.903 19.000 -0.004 0.000 0.815 442 A HN 0.589 nan 8.150 nan 0.000 0.443 443 H N -1.059 117.784 119.070 -0.378 0.000 2.389 443 H HA -0.024 4.524 4.556 -0.013 0.000 0.299 443 H C 2.123 177.227 175.328 -0.374 0.000 1.081 443 H CA 0.933 56.730 56.048 -0.419 0.000 1.345 443 H CB -0.055 29.676 29.762 -0.052 0.000 1.393 443 H HN 0.364 nan 8.280 nan 0.000 0.520 444 L N 0.387 121.525 121.223 -0.141 0.000 2.012 444 L HA -0.240 4.093 4.340 -0.012 0.000 0.210 444 L C 2.306 179.040 176.870 -0.226 0.000 1.073 444 L CA 1.335 56.090 54.840 -0.142 0.000 0.748 444 L CB -0.399 41.606 42.059 -0.091 0.000 0.891 444 L HN 0.450 nan 8.230 nan 0.000 0.431 445 C N -0.041 119.023 119.300 -0.394 0.000 2.429 445 C HA -0.172 4.281 4.460 -0.012 0.000 0.277 445 C C 2.656 177.391 174.990 -0.424 0.000 1.262 445 C CA 0.621 59.328 59.018 -0.518 0.000 1.733 445 C CB -0.744 26.309 27.740 -1.146 0.000 2.010 445 C HN 0.508 nan 8.230 nan 0.000 0.483 446 I N 1.356 121.625 120.570 -0.501 0.000 2.202 446 I HA -0.174 3.988 4.170 -0.012 0.000 0.242 446 I C 2.762 178.739 176.117 -0.233 0.000 1.091 446 I CA 1.591 62.644 61.300 -0.411 0.000 1.368 446 I CB -0.600 37.018 38.000 -0.637 0.000 1.058 446 I HN 0.251 nan 8.210 nan 0.000 0.410 447 A N 0.682 123.338 122.820 -0.273 0.000 1.908 447 A HA -0.126 4.187 4.320 -0.012 0.000 0.218 447 A C 2.234 179.880 177.584 0.103 0.000 1.181 447 A CA 1.964 53.896 52.037 -0.175 0.000 0.627 447 A CB -1.248 17.445 19.000 -0.512 0.000 0.818 447 A HN 0.484 nan 8.150 nan 0.000 0.445 448 G N -1.270 107.524 108.800 -0.010 0.000 3.284 448 G HA2 0.406 4.359 3.960 -0.012 0.000 0.236 448 G HA3 0.406 4.359 3.960 -0.012 0.000 0.236 448 G C 0.130 174.873 174.900 -0.261 0.000 1.158 448 G CA 0.516 45.490 45.100 -0.211 0.000 0.774 448 G HN 0.353 nan 8.290 nan 0.000 0.545 449 S N -0.308 115.296 115.700 -0.160 0.000 2.536 449 S HA 0.317 4.779 4.470 -0.012 0.000 0.298 449 S C 0.745 175.305 174.600 -0.067 0.000 1.083 449 S CA -0.704 57.432 58.200 -0.107 0.000 0.995 449 S CB 1.289 64.426 63.200 -0.105 0.000 1.058 449 S HN 0.502 nan 8.310 nan 0.000 0.488 450 H N 0.087 119.119 119.070 -0.063 0.000 2.548 450 H HA 0.467 5.015 4.556 -0.013 0.000 0.268 450 H C 0.122 175.437 175.328 -0.022 0.000 0.975 450 H CA 0.339 56.378 56.048 -0.015 0.000 1.195 450 H CB 0.117 29.885 29.762 0.009 0.000 1.397 450 H HN 0.507 nan 8.280 nan 0.000 0.572 451 A N 0.922 123.427 122.820 -0.524 0.000 2.488 451 A HA 0.560 4.872 4.320 -0.012 0.000 0.298 451 A C -1.438 175.939 177.584 -0.346 0.000 1.044 451 A CA -0.573 51.200 52.037 -0.440 0.000 0.693 451 A CB 2.195 20.879 19.000 -0.527 0.000 1.272 451 A HN 0.095 nan 8.150 nan 0.000 0.402 452 V N 4.214 123.891 119.914 -0.394 0.000 2.525 452 V HA 0.519 4.631 4.120 -0.012 0.000 0.299 452 V C -0.800 175.108 176.094 -0.310 0.000 1.034 452 V CA -0.790 61.276 62.300 -0.390 0.000 0.863 452 V CB 1.813 33.249 31.823 -0.645 0.000 0.999 452 V HN 1.011 nan 8.190 nan 0.000 0.423 453 N N 3.202 121.741 118.700 -0.269 0.000 2.240 453 N HA 0.612 5.344 4.740 -0.012 0.000 0.302 453 N C -0.205 175.200 175.510 -0.175 0.000 1.106 453 N CA -0.365 52.566 53.050 -0.197 0.000 0.778 453 N CB 2.873 41.219 38.487 -0.235 0.000 1.431 453 N HN 0.628 nan 8.380 nan 0.000 0.479 454 G N -0.729 108.000 108.800 -0.118 0.000 2.535 454 G HA2 0.413 4.366 3.960 -0.012 0.000 0.303 454 G HA3 0.413 4.366 3.960 -0.012 0.000 0.303 454 G C 0.759 175.707 174.900 0.081 0.000 1.237 454 G CA -0.456 44.618 45.100 -0.044 0.000 0.986 454 G HN 0.633 nan 8.290 nan 0.000 0.494 455 V N -3.829 116.251 119.914 0.278 0.000 3.427 455 V HA 0.699 4.811 4.120 -0.012 0.000 0.305 455 V C 0.545 176.719 176.094 0.133 0.000 1.412 455 V CA 0.395 62.780 62.300 0.142 0.000 1.086 455 V CB -0.753 31.109 31.823 0.065 0.000 0.964 455 V HN 1.355 nan 8.190 nan 0.000 0.439 456 A N -0.016 122.892 122.820 0.146 0.000 2.599 456 A HA 0.635 4.947 4.320 -0.012 0.000 0.294 456 A C 0.682 178.314 177.584 0.081 0.000 1.055 456 A CA -0.090 52.011 52.037 0.107 0.000 0.683 456 A CB 1.165 20.218 19.000 0.089 0.000 1.278 456 A HN 0.022 nan 8.150 nan 0.000 0.412 457 R N 0.788 121.316 120.500 0.046 0.000 2.096 457 R HA -0.146 4.187 4.340 -0.012 0.000 0.240 457 R C 1.609 177.908 176.300 -0.002 0.000 1.139 457 R CA 2.256 58.361 56.100 0.009 0.000 0.952 457 R CB -0.217 30.083 30.300 -0.000 0.000 0.854 457 R HN 0.818 nan 8.270 nan 0.000 0.436 458 I N 0.292 120.870 120.570 0.013 0.000 2.315 458 I HA -0.282 3.880 4.170 -0.012 0.000 0.248 458 I C 2.339 178.469 176.117 0.020 0.000 1.117 458 I CA 1.699 62.999 61.300 0.001 0.000 1.404 458 I CB -0.230 37.768 38.000 -0.002 0.000 1.071 458 I HN 0.340 nan 8.210 nan 0.000 0.419 459 H N 0.442 119.483 119.070 -0.049 0.000 2.293 459 H HA -0.139 4.410 4.556 -0.013 0.000 0.300 459 H C 2.292 177.585 175.328 -0.060 0.000 1.082 459 H CA 2.251 58.264 56.048 -0.058 0.000 1.308 459 H CB -0.331 29.402 29.762 -0.048 0.000 1.375 459 H HN 0.238 nan 8.280 nan 0.000 0.495 460 S N 0.433 116.016 115.700 -0.194 0.000 2.383 460 S HA -0.135 4.327 4.470 -0.012 0.000 0.229 460 S C 1.913 176.396 174.600 -0.195 0.000 1.030 460 S CA 1.268 59.334 58.200 -0.223 0.000 1.002 460 S CB -0.085 63.051 63.200 -0.106 0.000 0.829 460 S HN 0.492 nan 8.310 nan 0.000 0.467 461 E N 1.154 121.261 120.200 -0.154 0.000 2.072 461 E HA -0.005 4.338 4.350 -0.012 0.000 0.191 461 E C 2.032 178.522 176.600 -0.184 0.000 0.985 461 E CA 0.656 56.955 56.400 -0.168 0.000 0.801 461 E CB -0.382 29.250 29.700 -0.114 0.000 0.750 461 E HN 0.512 nan 8.360 nan 0.000 0.452 462 I N 0.998 121.475 120.570 -0.155 0.000 2.286 462 I HA -0.269 3.893 4.170 -0.012 0.000 0.248 462 I C 2.387 178.381 176.117 -0.205 0.000 1.115 462 I CA 0.765 61.977 61.300 -0.146 0.000 1.392 462 I CB -0.224 37.726 38.000 -0.085 0.000 1.065 462 I HN 0.059 nan 8.210 nan 0.000 0.418 463 L N 0.392 121.455 121.223 -0.267 0.000 2.017 463 L HA -0.222 4.111 4.340 -0.012 0.000 0.208 463 L C 2.471 179.217 176.870 -0.206 0.000 1.073 463 L CA 1.565 56.252 54.840 -0.255 0.000 0.745 463 L CB -0.588 41.385 42.059 -0.143 0.000 0.894 463 L HN 0.190 nan 8.230 nan 0.000 0.432 464 K N 0.001 120.209 120.400 -0.320 0.000 2.217 464 K HA -0.118 4.195 4.320 -0.012 0.000 0.202 464 K C 1.953 178.340 176.600 -0.355 0.000 1.051 464 K CA 0.953 56.905 56.287 -0.559 0.000 0.952 464 K CB 0.068 31.996 32.500 -0.953 0.000 0.736 464 K HN 0.313 nan 8.250 nan 0.000 0.453 465 K N -0.200 120.058 120.400 -0.236 0.000 2.308 465 K HA -0.004 4.309 4.320 -0.012 0.000 0.197 465 K C 1.868 178.412 176.600 -0.093 0.000 1.049 465 K CA 1.208 57.410 56.287 -0.142 0.000 0.991 465 K CB 0.597 33.023 32.500 -0.122 0.000 0.836 465 K HN 0.223 nan 8.250 nan 0.000 0.500 466 T N -1.074 113.414 114.554 -0.109 0.000 3.330 466 T HA 0.073 4.416 4.350 -0.012 0.000 0.185 466 T C 1.955 176.611 174.700 -0.074 0.000 0.874 466 T CA -0.045 62.004 62.100 -0.084 0.000 1.268 466 T CB -0.735 68.077 68.868 -0.093 0.000 1.866 466 T HN 0.101 nan 8.240 nan 0.000 0.395 467 I N -0.992 119.475 120.570 -0.173 0.000 2.394 467 I HA 0.234 4.397 4.170 -0.012 0.000 0.251 467 I C 1.540 177.664 176.117 0.012 0.000 1.136 467 I CA 1.324 62.509 61.300 -0.192 0.000 1.425 467 I CB -0.618 37.124 38.000 -0.430 0.000 1.079 467 I HN 0.229 nan 8.210 nan 0.000 0.425 468 F N 0.955 120.979 119.950 0.123 0.000 2.708 468 F HA 0.326 4.845 4.527 -0.013 0.000 0.300 468 F C 2.071 177.962 175.800 0.151 0.000 1.118 468 F CA -0.622 57.520 58.000 0.236 0.000 1.307 468 F CB 0.120 39.266 39.000 0.242 0.000 0.986 468 F HN -0.076 nan 8.300 nan 0.000 0.522 469 K N 1.152 121.666 120.400 0.190 0.000 2.059 469 K HA -0.233 4.080 4.320 -0.012 0.000 0.212 469 K C 1.364 178.020 176.600 0.095 0.000 1.050 469 K CA 2.281 58.621 56.287 0.088 0.000 0.927 469 K CB -0.051 32.466 32.500 0.028 0.000 0.714 469 K HN 0.148 nan 8.250 nan 0.000 0.447 470 D N -0.176 120.257 120.400 0.055 0.000 2.123 470 D HA -0.168 4.465 4.640 -0.012 0.000 0.196 470 D C 1.823 178.041 176.300 -0.137 0.000 0.992 470 D CA 1.277 55.184 54.000 -0.154 0.000 0.833 470 D CB -0.307 40.306 40.800 -0.312 0.000 0.954 470 D HN 0.255 nan 8.370 nan 0.000 0.455 471 F N -0.247 119.776 119.950 0.121 0.000 2.186 471 F HA -0.135 4.384 4.527 -0.012 0.000 0.299 471 F C 2.341 178.285 175.800 0.240 0.000 1.090 471 F CA 0.497 58.647 58.000 0.250 0.000 1.307 471 F CB -0.651 38.568 39.000 0.365 0.000 1.019 471 F HN -0.035 nan 8.300 nan 0.000 0.489 472 Y N 1.336 121.606 120.300 -0.050 0.000 2.224 472 Y HA -0.198 4.345 4.550 -0.012 0.000 0.289 472 Y C 2.125 178.005 175.900 -0.032 0.000 1.146 472 Y CA 1.635 59.525 58.100 -0.350 0.000 1.182 472 Y CB -0.586 37.479 38.460 -0.658 0.000 0.983 472 Y HN 0.128 nan 8.280 nan 0.000 0.524 473 E N -0.402 119.748 120.200 -0.083 0.000 2.106 473 E HA -0.193 4.149 4.350 -0.012 0.000 0.192 473 E C 1.997 178.656 176.600 0.099 0.000 0.984 473 E CA 1.184 57.550 56.400 -0.057 0.000 0.806 473 E CB -0.262 29.442 29.700 0.006 0.000 0.750 473 E HN 0.428 nan 8.360 nan 0.000 0.458 474 L N 0.969 122.289 121.223 0.161 0.000 2.044 474 L HA -0.066 4.266 4.340 -0.012 0.000 0.205 474 L C 0.252 177.203 176.870 0.135 0.000 1.075 474 L CA 1.706 56.673 54.840 0.212 0.000 0.747 474 L CB 0.339 42.516 42.059 0.196 0.000 0.903 474 L HN -0.092 nan 8.230 nan 0.000 0.435 475 E N -0.225 120.054 120.200 0.132 0.000 3.132 475 E HA 0.182 4.525 4.350 -0.012 0.000 0.241 475 E C -1.994 174.562 176.600 -0.074 0.000 1.196 475 E CA -1.265 55.139 56.400 0.006 0.000 0.869 475 E CB 0.829 30.535 29.700 0.009 0.000 1.387 475 E HN 0.214 nan 8.360 nan 0.000 0.393 476 P HA -0.232 nan 4.420 nan 0.000 0.218 476 P C 1.248 178.641 177.300 0.156 0.000 1.149 476 P CA 1.319 64.326 63.100 -0.155 0.000 0.817 476 P CB -0.052 31.411 31.700 -0.394 0.000 0.785 477 H N 0.365 119.536 119.070 0.167 0.000 2.489 477 H HA 0.027 4.575 4.556 -0.013 0.000 0.293 477 H C 1.449 176.866 175.328 0.147 0.000 1.066 477 H CA 0.886 57.021 56.048 0.146 0.000 1.305 477 H CB -0.705 29.114 29.762 0.096 0.000 1.386 477 H HN 0.156 nan 8.280 nan 0.000 0.551 478 K N 0.270 120.547 120.400 -0.206 0.000 2.217 478 K HA 0.020 4.333 4.320 -0.012 0.000 0.202 478 K C -0.114 176.349 176.600 -0.229 0.000 1.051 478 K CA 0.341 56.501 56.287 -0.211 0.000 0.952 478 K CB 0.073 32.334 32.500 -0.398 0.000 0.736 478 K HN 0.114 nan 8.250 nan 0.000 0.453 479 F N 1.718 121.690 119.950 0.037 0.000 2.424 479 F HA 0.180 4.699 4.527 -0.013 0.000 0.356 479 F C 0.457 176.259 175.800 0.002 0.000 1.110 479 F CA -0.234 57.793 58.000 0.045 0.000 1.161 479 F CB 0.991 40.078 39.000 0.146 0.000 1.115 479 F HN -0.109 nan 8.300 nan 0.000 0.507 480 Q N 1.822 121.650 119.800 0.047 0.000 2.528 480 Q HA 0.343 4.675 4.340 -0.012 0.000 0.289 480 Q C -1.150 174.809 176.000 -0.068 0.000 1.091 480 Q CA -1.245 54.538 55.803 -0.033 0.000 0.797 480 Q CB 3.093 31.756 28.738 -0.125 0.000 1.466 480 Q HN 0.603 nan 8.270 nan 0.000 0.436 481 N N 0.810 119.454 118.700 -0.093 0.000 2.314 481 N HA 0.262 4.994 4.740 -0.012 0.000 0.304 481 N C -1.402 174.009 175.510 -0.166 0.000 1.073 481 N CA -0.368 52.622 53.050 -0.101 0.000 0.822 481 N CB 0.940 39.390 38.487 -0.061 0.000 1.280 481 N HN 0.282 nan 8.380 nan 0.000 0.489 482 K N 2.769 123.072 120.400 -0.162 0.000 2.675 482 K HA 0.179 4.492 4.320 -0.012 0.000 0.224 482 K C -0.941 175.667 176.600 0.012 0.000 1.003 482 K CA -0.496 55.676 56.287 -0.192 0.000 1.034 482 K CB 1.229 33.393 32.500 -0.560 0.000 1.218 482 K HN 0.532 nan 8.250 nan 0.000 0.507 483 T N 2.165 116.743 114.554 0.040 0.000 2.871 483 T HA 0.036 4.378 4.350 -0.012 0.000 0.296 483 T C 0.790 175.614 174.700 0.205 0.000 0.998 483 T CA 0.394 62.566 62.100 0.121 0.000 1.162 483 T CB 0.192 69.130 68.868 0.117 0.000 0.947 483 T HN 0.361 nan 8.240 nan 0.000 0.536 484 N N 0.751 119.593 118.700 0.236 0.000 2.267 484 N HA 0.370 5.103 4.740 -0.012 0.000 0.226 484 N C 0.503 176.191 175.510 0.297 0.000 1.314 484 N CA -0.070 53.147 53.050 0.279 0.000 0.887 484 N CB 0.366 38.959 38.487 0.178 0.000 1.120 484 N HN 0.764 nan 8.380 nan 0.000 0.440 485 G N -0.619 108.360 108.800 0.299 0.000 2.687 485 G HA2 0.603 4.555 3.960 -0.012 0.000 0.291 485 G HA3 0.603 4.555 3.960 -0.012 0.000 0.291 485 G C -1.418 173.602 174.900 0.200 0.000 1.420 485 G CA -0.748 44.515 45.100 0.271 0.000 0.796 485 G HN 0.602 nan 8.290 nan 0.000 0.485 486 I N -2.320 118.356 120.570 0.177 0.000 2.828 486 I HA 0.738 4.901 4.170 -0.012 0.000 0.302 486 I C -0.184 176.080 176.117 0.244 0.000 1.101 486 I CA -0.938 60.458 61.300 0.160 0.000 1.031 486 I CB 2.460 40.447 38.000 -0.022 0.000 1.231 486 I HN 0.489 nan 8.210 nan 0.000 0.427 487 T N 4.559 119.309 114.554 0.327 0.000 2.814 487 T HA 0.334 4.676 4.350 -0.012 0.000 0.297 487 T C -1.392 173.422 174.700 0.191 0.000 0.956 487 T CA -1.507 60.718 62.100 0.207 0.000 1.123 487 T CB 0.705 69.642 68.868 0.115 0.000 0.902 487 T HN 0.632 nan 8.240 nan 0.000 0.528 488 P HA 0.038 nan 4.420 nan 0.000 0.233 488 P C 1.100 178.366 177.300 -0.056 0.000 1.167 488 P CA 0.362 63.496 63.100 0.057 0.000 0.770 488 P CB 0.344 32.061 31.700 0.028 0.000 0.837 489 R N 0.422 120.842 120.500 -0.134 0.000 2.070 489 R HA 0.004 4.336 4.340 -0.012 0.000 0.227 489 R C 2.679 178.857 176.300 -0.203 0.000 1.147 489 R CA 1.539 57.515 56.100 -0.206 0.000 0.924 489 R CB -1.260 28.917 30.300 -0.206 0.000 0.827 489 R HN 0.039 nan 8.270 nan 0.000 0.431 490 R N -0.765 119.559 120.500 -0.293 0.000 2.081 490 R HA -0.137 4.196 4.340 -0.012 0.000 0.235 490 R C 1.127 177.086 176.300 -0.568 0.000 1.131 490 R CA 1.771 57.541 56.100 -0.550 0.000 0.960 490 R CB -0.185 29.582 30.300 -0.888 0.000 0.856 490 R HN 0.312 nan 8.270 nan 0.000 0.436 491 W N -0.516 120.735 121.300 -0.081 0.000 3.353 491 W HA 0.156 4.808 4.660 -0.013 0.000 0.304 491 W C 1.004 177.488 176.519 -0.058 0.000 1.273 491 W CA -0.713 56.584 57.345 -0.080 0.000 1.773 491 W CB 0.445 29.861 29.460 -0.074 0.000 1.095 491 W HN 0.220 nan 8.180 nan 0.000 0.676 492 L N -2.195 119.081 121.223 0.088 0.000 2.865 492 L HA 0.197 4.530 4.340 -0.012 0.000 0.167 492 L C 1.785 178.666 176.870 0.019 0.000 1.135 492 L CA 0.816 55.701 54.840 0.075 0.000 0.895 492 L CB -0.871 41.259 42.059 0.119 0.000 1.643 492 L HN -0.247 nan 8.230 nan 0.000 0.518 493 V N 1.083 120.985 119.914 -0.020 0.000 2.287 493 V HA -0.279 3.833 4.120 -0.012 0.000 0.248 493 V C 2.469 178.531 176.094 -0.053 0.000 1.053 493 V CA 2.493 64.771 62.300 -0.037 0.000 1.027 493 V CB -0.677 31.093 31.823 -0.089 0.000 0.646 493 V HN 0.512 nan 8.190 nan 0.000 0.447 494 L N 0.442 121.604 121.223 -0.102 0.000 2.023 494 L HA -0.185 4.147 4.340 -0.012 0.000 0.205 494 L C 2.500 179.304 176.870 -0.110 0.000 1.073 494 L CA 2.419 57.183 54.840 -0.126 0.000 0.745 494 L CB -0.271 41.662 42.059 -0.209 0.000 0.900 494 L HN 0.656 nan 8.230 nan 0.000 0.435 495 C N -1.816 117.414 119.300 -0.117 0.000 2.533 495 C HA 0.197 4.650 4.460 -0.012 0.000 0.272 495 C C 1.228 176.199 174.990 -0.033 0.000 1.371 495 C CA -0.263 58.704 59.018 -0.086 0.000 1.758 495 C CB -0.954 26.733 27.740 -0.087 0.000 1.972 495 C HN 0.596 nan 8.230 nan 0.000 0.522 496 N N 1.208 119.900 118.700 -0.013 0.000 2.733 496 N HA 0.288 5.021 4.740 -0.012 0.000 0.271 496 N C -1.806 173.714 175.510 0.017 0.000 1.720 496 N CA -1.586 51.468 53.050 0.008 0.000 0.803 496 N CB 0.776 39.276 38.487 0.022 0.000 1.208 496 N HN 0.248 nan 8.380 nan 0.000 0.498 497 P HA -0.044 nan 4.420 nan 0.000 0.217 497 P C 1.419 178.735 177.300 0.026 0.000 1.150 497 P CA 0.925 64.035 63.100 0.017 0.000 0.832 497 P CB 0.217 31.919 31.700 0.004 0.000 0.787 498 G N 0.623 109.434 108.800 0.018 0.000 2.440 498 G HA2 -0.258 3.695 3.960 -0.012 0.000 0.218 498 G HA3 -0.258 3.695 3.960 -0.012 0.000 0.218 498 G C 1.534 176.445 174.900 0.019 0.000 1.154 498 G CA 0.753 45.862 45.100 0.015 0.000 0.767 498 G HN 0.252 nan 8.290 nan 0.000 0.552 499 L N 1.233 122.469 121.223 0.022 0.000 2.072 499 L HA 0.271 4.604 4.340 -0.012 0.000 0.205 499 L C 3.093 179.999 176.870 0.060 0.000 1.079 499 L CA 2.003 56.858 54.840 0.025 0.000 0.752 499 L CB -0.782 41.290 42.059 0.021 0.000 0.906 499 L HN 0.231 nan 8.230 nan 0.000 0.436 500 A N -0.728 122.147 122.820 0.092 0.000 1.948 500 A HA -0.282 4.030 4.320 -0.012 0.000 0.220 500 A C 2.256 179.942 177.584 0.171 0.000 1.177 500 A CA 1.974 54.118 52.037 0.178 0.000 0.636 500 A CB -0.687 18.405 19.000 0.154 0.000 0.815 500 A HN 0.557 nan 8.150 nan 0.000 0.449 501 E N 0.478 120.737 120.200 0.099 0.000 2.072 501 E HA -0.130 4.213 4.350 -0.012 0.000 0.190 501 E C 1.833 178.475 176.600 0.070 0.000 0.982 501 E CA 1.425 57.873 56.400 0.080 0.000 0.803 501 E CB -0.492 29.236 29.700 0.048 0.000 0.755 501 E HN 0.748 nan 8.360 nan 0.000 0.453 502 I N -1.703 118.906 120.570 0.064 0.000 2.394 502 I HA -0.131 4.032 4.170 -0.012 0.000 0.251 502 I C 2.109 178.293 176.117 0.112 0.000 1.136 502 I CA 1.079 62.431 61.300 0.087 0.000 1.425 502 I CB -0.348 37.697 38.000 0.075 0.000 1.079 502 I HN 0.009 nan 8.210 nan 0.000 0.425 503 I N 1.999 122.611 120.570 0.069 0.000 2.202 503 I HA -0.197 3.966 4.170 -0.012 0.000 0.242 503 I C 3.004 179.059 176.117 -0.103 0.000 1.091 503 I CA 1.367 62.618 61.300 -0.083 0.000 1.368 503 I CB -0.511 37.317 38.000 -0.287 0.000 1.058 503 I HN 0.301 nan 8.210 nan 0.000 0.410 504 A N 0.345 123.208 122.820 0.071 0.000 1.972 504 A HA -0.222 4.090 4.320 -0.012 0.000 0.219 504 A C 2.171 179.783 177.584 0.048 0.000 1.169 504 A CA 1.577 53.708 52.037 0.157 0.000 0.635 504 A CB -0.582 18.545 19.000 0.211 0.000 0.810 504 A HN 0.448 nan 8.150 nan 0.000 0.446 505 E N -0.726 119.481 120.200 0.012 0.000 2.118 505 E HA -0.201 4.142 4.350 -0.012 0.000 0.195 505 E C 2.226 178.786 176.600 -0.068 0.000 0.992 505 E CA 1.079 57.472 56.400 -0.013 0.000 0.804 505 E CB -0.051 29.648 29.700 -0.002 0.000 0.741 505 E HN 0.402 nan 8.360 nan 0.000 0.458 506 R N 0.141 120.538 120.500 -0.172 0.000 2.075 506 R HA 0.058 4.390 4.340 -0.012 0.000 0.220 506 R C 2.288 178.488 176.300 -0.166 0.000 1.118 506 R CA 0.906 56.821 56.100 -0.309 0.000 0.986 506 R CB -0.347 29.436 30.300 -0.861 0.000 0.884 506 R HN 0.339 nan 8.270 nan 0.000 0.439 507 I N -3.305 117.186 120.570 -0.131 0.000 4.147 507 I HA 0.456 4.619 4.170 -0.012 0.000 0.329 507 I C 0.442 176.591 176.117 0.054 0.000 1.424 507 I CA 0.066 61.345 61.300 -0.036 0.000 1.127 507 I CB 0.778 38.736 38.000 -0.069 0.000 1.128 507 I HN 0.172 nan 8.210 nan 0.000 0.417 508 G N 1.998 110.840 108.800 0.070 0.000 2.681 508 G HA2 -0.236 3.717 3.960 -0.012 0.000 0.220 508 G HA3 -0.236 3.717 3.960 -0.012 0.000 0.220 508 G C 0.038 175.064 174.900 0.209 0.000 1.353 508 G CA 0.290 45.455 45.100 0.108 0.000 0.872 508 G HN 0.445 nan 8.290 nan 0.000 0.557 509 E N -0.489 119.787 120.200 0.127 0.000 2.476 509 E HA 0.064 4.407 4.350 -0.012 0.000 0.199 509 E C 1.869 178.423 176.600 -0.077 0.000 1.021 509 E CA -0.037 56.385 56.400 0.035 0.000 0.907 509 E CB 0.213 29.923 29.700 0.017 0.000 0.974 509 E HN 0.455 nan 8.360 nan 0.000 0.489 510 E N 0.488 120.710 120.200 0.037 0.000 2.338 510 E HA -0.161 4.181 4.350 -0.012 0.000 0.197 510 E C 1.598 178.197 176.600 -0.001 0.000 1.007 510 E CA 0.648 57.061 56.400 0.021 0.000 0.849 510 E CB 0.043 29.776 29.700 0.055 0.000 0.774 510 E HN 0.497 nan 8.360 nan 0.000 0.506 511 Y N -1.282 119.023 120.300 0.009 0.000 2.421 511 Y HA -0.029 4.514 4.550 -0.011 0.000 0.292 511 Y C 1.928 177.807 175.900 -0.034 0.000 1.136 511 Y CA 0.565 58.661 58.100 -0.006 0.000 1.255 511 Y CB -0.740 37.718 38.460 -0.003 0.000 0.991 511 Y HN -0.093 nan 8.280 nan 0.000 0.552 512 I N 0.942 121.072 120.570 -0.734 0.000 2.361 512 I HA -0.227 3.936 4.170 -0.012 0.000 0.251 512 I C 1.717 177.588 176.117 -0.409 0.000 1.133 512 I CA 1.786 62.687 61.300 -0.664 0.000 1.413 512 I CB -0.351 37.154 38.000 -0.825 0.000 1.073 512 I HN 0.468 nan 8.210 nan 0.000 0.424 513 S N -2.065 113.502 115.700 -0.221 0.000 2.663 513 S HA 0.186 4.649 4.470 -0.012 0.000 0.243 513 S C 0.123 174.713 174.600 -0.017 0.000 1.009 513 S CA -0.487 57.661 58.200 -0.086 0.000 0.988 513 S CB 0.289 63.514 63.200 0.042 0.000 0.896 513 S HN 0.285 nan 8.310 nan 0.000 0.502 514 D N 0.669 121.066 120.400 -0.005 0.000 2.934 514 D HA 0.234 4.866 4.640 -0.012 0.000 0.249 514 D C 0.297 176.640 176.300 0.071 0.000 1.293 514 D CA -0.376 53.643 54.000 0.032 0.000 0.812 514 D CB 0.406 41.230 40.800 0.039 0.000 1.439 514 D HN 0.104 nan 8.370 nan 0.000 0.555 515 L N 1.195 122.460 121.223 0.069 0.000 2.353 515 L HA 0.016 4.349 4.340 -0.012 0.000 0.220 515 L C 1.390 178.313 176.870 0.087 0.000 1.133 515 L CA 1.480 56.389 54.840 0.115 0.000 0.798 515 L CB -0.049 42.072 42.059 0.103 0.000 0.922 515 L HN 0.252 nan 8.230 nan 0.000 0.445 516 D N -0.680 119.748 120.400 0.048 0.000 2.265 516 D HA -0.213 4.420 4.640 -0.012 0.000 0.208 516 D C 1.944 178.265 176.300 0.036 0.000 0.977 516 D CA 0.816 54.831 54.000 0.024 0.000 0.871 516 D CB 0.043 40.844 40.800 0.003 0.000 0.925 516 D HN 0.538 nan 8.370 nan 0.000 0.485 517 Q N -0.070 119.768 119.800 0.063 0.000 2.364 517 Q HA -0.060 4.273 4.340 -0.012 0.000 0.209 517 Q C 2.264 178.283 176.000 0.031 0.000 0.977 517 Q CA 0.265 56.106 55.803 0.063 0.000 0.885 517 Q CB 0.013 28.817 28.738 0.110 0.000 0.941 517 Q HN 0.395 nan 8.270 nan 0.000 0.464 518 L N 0.157 121.392 121.223 0.021 0.000 2.261 518 L HA -0.202 4.131 4.340 -0.012 0.000 0.216 518 L C 2.292 179.157 176.870 -0.009 0.000 1.114 518 L CA 0.920 55.738 54.840 -0.036 0.000 0.777 518 L CB -0.382 41.667 42.059 -0.016 0.000 0.910 518 L HN 0.227 nan 8.230 nan 0.000 0.440 519 R N 0.368 120.874 120.500 0.010 0.000 2.139 519 R HA -0.199 4.134 4.340 -0.012 0.000 0.243 519 R C 2.110 178.419 176.300 0.015 0.000 1.145 519 R CA 1.171 57.279 56.100 0.014 0.000 0.976 519 R CB -0.273 30.032 30.300 0.009 0.000 0.866 519 R HN 0.414 nan 8.270 nan 0.000 0.449 520 K N 0.630 121.038 120.400 0.014 0.000 2.286 520 K HA -0.125 4.187 4.320 -0.012 0.000 0.203 520 K C 1.897 178.546 176.600 0.083 0.000 1.045 520 K CA 0.946 57.252 56.287 0.033 0.000 0.935 520 K CB -0.132 32.391 32.500 0.037 0.000 0.737 520 K HN 0.241 nan 8.250 nan 0.000 0.460 521 L N 0.491 121.740 121.223 0.043 0.000 2.376 521 L HA -0.139 4.193 4.340 -0.012 0.000 0.219 521 L C 1.877 178.822 176.870 0.125 0.000 1.133 521 L CA 0.049 54.927 54.840 0.063 0.000 0.816 521 L CB -0.286 41.763 42.059 -0.017 0.000 0.933 521 L HN 0.119 nan 8.230 nan 0.000 0.449 522 L N 0.150 121.414 121.223 0.069 0.000 2.131 522 L HA -0.178 4.154 4.340 -0.012 0.000 0.210 522 L C 2.663 179.532 176.870 -0.001 0.000 1.092 522 L CA 1.893 56.758 54.840 0.043 0.000 0.759 522 L CB -0.942 41.127 42.059 0.017 0.000 0.903 522 L HN 0.356 nan 8.230 nan 0.000 0.435 523 S N -2.735 112.922 115.700 -0.073 0.000 2.660 523 S HA -0.058 4.405 4.470 -0.012 0.000 0.223 523 S C 1.113 175.451 174.600 -0.436 0.000 0.963 523 S CA 0.167 58.220 58.200 -0.245 0.000 0.932 523 S CB -0.550 62.459 63.200 -0.317 0.000 0.775 523 S HN 0.462 nan 8.310 nan 0.000 0.531 524 Y N -0.537 119.708 120.300 -0.091 0.000 2.557 524 Y HA 0.429 4.978 4.550 -0.003 0.000 0.247 524 Y C 1.873 177.825 175.900 0.088 0.000 1.164 524 Y CA -0.579 57.473 58.100 -0.080 0.000 1.218 524 Y CB 0.212 38.437 38.460 -0.391 0.000 1.210 524 Y HN 0.253 nan 8.280 nan 0.000 0.529 525 V N 0.496 120.509 119.914 0.165 0.000 2.594 525 V HA -0.202 3.910 4.120 -0.012 0.000 0.253 525 V C 0.888 177.054 176.094 0.119 0.000 1.069 525 V CA 2.188 64.581 62.300 0.155 0.000 1.082 525 V CB -0.007 31.869 31.823 0.088 0.000 0.680 525 V HN 0.352 nan 8.190 nan 0.000 0.469 526 D N -0.548 119.902 120.400 0.083 0.000 2.402 526 D HA 0.119 4.752 4.640 -0.012 0.000 0.216 526 D C 0.263 176.611 176.300 0.080 0.000 1.128 526 D CA -0.017 54.020 54.000 0.062 0.000 0.833 526 D CB 0.133 40.948 40.800 0.024 0.000 0.971 526 D HN 0.443 nan 8.370 nan 0.000 0.503 527 D N 1.497 121.982 120.400 0.141 0.000 2.339 527 D HA -0.005 4.627 4.640 -0.012 0.000 0.241 527 D C 1.102 177.509 176.300 0.178 0.000 1.183 527 D CA -0.072 54.032 54.000 0.174 0.000 0.859 527 D CB 1.644 42.620 40.800 0.293 0.000 1.067 527 D HN -0.180 nan 8.370 nan 0.000 0.484 528 E N 3.152 123.420 120.200 0.114 0.000 2.110 528 E HA -0.157 4.186 4.350 -0.012 0.000 0.193 528 E C 1.788 178.441 176.600 0.089 0.000 0.988 528 E CA 1.437 57.888 56.400 0.084 0.000 0.804 528 E CB 0.017 29.749 29.700 0.054 0.000 0.745 528 E HN 0.602 nan 8.360 nan 0.000 0.458 529 A N -0.266 122.623 122.820 0.114 0.000 1.877 529 A HA -0.156 4.157 4.320 -0.012 0.000 0.216 529 A C 2.219 179.889 177.584 0.142 0.000 1.186 529 A CA 1.381 53.484 52.037 0.109 0.000 0.620 529 A CB -0.959 18.108 19.000 0.112 0.000 0.822 529 A HN 0.453 nan 8.150 nan 0.000 0.443 530 F N 0.342 120.311 119.950 0.032 0.000 2.146 530 F HA -0.139 4.381 4.527 -0.012 0.000 0.298 530 F C 2.026 177.833 175.800 0.013 0.000 1.096 530 F CA 1.569 59.573 58.000 0.007 0.000 1.275 530 F CB -0.116 38.897 39.000 0.023 0.000 1.008 530 F HN 0.166 nan 8.300 nan 0.000 0.480 531 I N 0.357 120.940 120.570 0.022 0.000 2.151 531 I HA -0.368 3.794 4.170 -0.012 0.000 0.243 531 I C 2.610 178.667 176.117 -0.100 0.000 1.080 531 I CA 1.826 63.088 61.300 -0.063 0.000 1.339 531 I CB -0.534 37.480 38.000 0.025 0.000 1.039 531 I HN 0.116 nan 8.210 nan 0.000 0.409 532 R N 0.826 121.295 120.500 -0.051 0.000 2.081 532 R HA -0.189 4.144 4.340 -0.012 0.000 0.235 532 R C 1.844 178.094 176.300 -0.083 0.000 1.131 532 R CA 1.909 57.979 56.100 -0.050 0.000 0.960 532 R CB -0.160 30.131 30.300 -0.015 0.000 0.856 532 R HN 0.287 nan 8.270 nan 0.000 0.436 533 D N -0.078 120.254 120.400 -0.112 0.000 2.097 533 D HA -0.115 4.518 4.640 -0.012 0.000 0.197 533 D C 1.996 178.172 176.300 -0.208 0.000 0.984 533 D CA 1.287 55.209 54.000 -0.131 0.000 0.826 533 D CB -0.225 40.520 40.800 -0.091 0.000 0.973 533 D HN 0.082 nan 8.370 nan 0.000 0.460 534 V N 1.581 121.267 119.914 -0.381 0.000 2.287 534 V HA -0.273 3.840 4.120 -0.012 0.000 0.248 534 V C 2.525 178.521 176.094 -0.164 0.000 1.053 534 V CA 2.017 64.106 62.300 -0.352 0.000 1.027 534 V CB -0.837 30.683 31.823 -0.505 0.000 0.646 534 V HN 0.197 nan 8.190 nan 0.000 0.447 535 A N -0.611 122.133 122.820 -0.126 0.000 1.969 535 A HA -0.234 4.079 4.320 -0.012 0.000 0.218 535 A C 2.348 179.894 177.584 -0.063 0.000 1.169 535 A CA 2.009 54.007 52.037 -0.065 0.000 0.635 535 A CB -0.442 18.525 19.000 -0.056 0.000 0.810 535 A HN 0.548 nan 8.150 nan 0.000 0.445 536 K N -0.222 120.136 120.400 -0.070 0.000 2.057 536 K HA -0.068 4.245 4.320 -0.012 0.000 0.206 536 K C 1.805 178.379 176.600 -0.044 0.000 1.050 536 K CA 1.470 57.726 56.287 -0.052 0.000 0.935 536 K CB -0.244 32.228 32.500 -0.046 0.000 0.715 536 K HN 0.207 nan 8.250 nan 0.000 0.439 537 V N 1.819 121.702 119.914 -0.051 0.000 2.287 537 V HA -0.259 3.854 4.120 -0.012 0.000 0.248 537 V C 2.390 178.469 176.094 -0.024 0.000 1.053 537 V CA 2.052 64.331 62.300 -0.035 0.000 1.027 537 V CB -0.486 31.312 31.823 -0.043 0.000 0.646 537 V HN 0.362 nan 8.190 nan 0.000 0.447 538 K N 0.368 120.751 120.400 -0.028 0.000 2.032 538 K HA -0.248 4.064 4.320 -0.012 0.000 0.209 538 K C 2.172 178.745 176.600 -0.046 0.000 1.048 538 K CA 1.922 58.197 56.287 -0.019 0.000 0.927 538 K CB -0.549 31.954 32.500 0.006 0.000 0.712 538 K HN 0.387 nan 8.250 nan 0.000 0.441 539 Q N 0.896 120.663 119.800 -0.054 0.000 2.084 539 Q HA -0.120 4.212 4.340 -0.012 0.000 0.202 539 Q C 1.728 177.705 176.000 -0.038 0.000 0.978 539 Q CA 2.037 57.799 55.803 -0.068 0.000 0.844 539 Q CB -0.086 28.617 28.738 -0.059 0.000 0.898 539 Q HN 0.511 nan 8.270 nan 0.000 0.426 540 E N -0.507 119.683 120.200 -0.017 0.000 2.077 540 E HA -0.172 4.170 4.350 -0.012 0.000 0.193 540 E C 1.753 178.372 176.600 0.031 0.000 0.989 540 E CA 1.029 57.433 56.400 0.007 0.000 0.800 540 E CB -0.096 29.608 29.700 0.006 0.000 0.746 540 E HN 0.397 nan 8.360 nan 0.000 0.452 541 N N 0.975 119.690 118.700 0.024 0.000 2.120 541 N HA -0.133 4.600 4.740 -0.012 0.000 0.188 541 N C 1.508 177.081 175.510 0.105 0.000 1.024 541 N CA 1.066 54.149 53.050 0.055 0.000 0.852 541 N CB -0.084 38.420 38.487 0.030 0.000 1.003 541 N HN 0.134 nan 8.380 nan 0.000 0.424 542 K N 0.478 120.895 120.400 0.029 0.000 2.097 542 K HA 0.040 4.352 4.320 -0.012 0.000 0.205 542 K C 2.084 178.777 176.600 0.154 0.000 1.050 542 K CA 0.564 56.856 56.287 0.007 0.000 0.938 542 K CB -0.098 32.151 32.500 -0.417 0.000 0.718 542 K HN 0.110 nan 8.250 nan 0.000 0.442 543 L N 1.173 122.449 121.223 0.087 0.000 2.027 543 L HA -0.192 4.141 4.340 -0.012 0.000 0.206 543 L C 2.626 179.587 176.870 0.151 0.000 1.074 543 L CA 1.302 56.208 54.840 0.109 0.000 0.745 543 L CB -0.331 41.764 42.059 0.060 0.000 0.898 543 L HN 0.168 nan 8.230 nan 0.000 0.433 544 K N -0.179 120.314 120.400 0.154 0.000 2.032 544 K HA -0.254 4.059 4.320 -0.012 0.000 0.209 544 K C 2.197 178.951 176.600 0.257 0.000 1.048 544 K CA 1.752 58.143 56.287 0.173 0.000 0.927 544 K CB -0.200 32.387 32.500 0.144 0.000 0.712 544 K HN 0.084 nan 8.250 nan 0.000 0.441 545 F N 1.136 121.186 119.950 0.167 0.000 2.186 545 F HA -0.041 4.479 4.527 -0.012 0.000 0.299 545 F C 1.981 177.941 175.800 0.267 0.000 1.090 545 F CA 1.178 59.307 58.000 0.215 0.000 1.307 545 F CB -0.390 38.740 39.000 0.218 0.000 1.019 545 F HN 0.089 nan 8.300 nan 0.000 0.489 546 A N 0.076 123.051 122.820 0.259 0.000 1.972 546 A HA -0.037 4.276 4.320 -0.012 0.000 0.219 546 A C 2.357 179.976 177.584 0.059 0.000 1.169 546 A CA 1.641 53.766 52.037 0.146 0.000 0.635 546 A CB -1.367 17.784 19.000 0.252 0.000 0.810 546 A HN 0.443 nan 8.150 nan 0.000 0.446 547 A N -1.784 121.091 122.820 0.091 0.000 1.930 547 A HA 0.022 4.335 4.320 -0.012 0.000 0.215 547 A C 2.062 179.674 177.584 0.047 0.000 1.176 547 A CA 1.299 53.379 52.037 0.070 0.000 0.632 547 A CB -0.696 18.357 19.000 0.088 0.000 0.819 547 A HN 0.699 nan 8.150 nan 0.000 0.445 548 Y N 0.570 120.828 120.300 -0.070 0.000 2.224 548 Y HA -0.149 4.393 4.550 -0.012 0.000 0.289 548 Y C 1.871 177.698 175.900 -0.122 0.000 1.146 548 Y CA 1.765 59.811 58.100 -0.090 0.000 1.182 548 Y CB -0.189 38.221 38.460 -0.083 0.000 0.983 548 Y HN 0.208 nan 8.280 nan 0.000 0.524 549 L N -0.064 121.053 121.223 -0.176 0.000 2.093 549 L HA -0.191 4.141 4.340 -0.012 0.000 0.208 549 L C 2.333 179.131 176.870 -0.119 0.000 1.085 549 L CA 1.654 56.388 54.840 -0.176 0.000 0.755 549 L CB -0.442 41.466 42.059 -0.252 0.000 0.904 549 L HN 0.328 nan 8.230 nan 0.000 0.435 550 E N -0.232 119.913 120.200 -0.092 0.000 2.046 550 E HA -0.170 4.173 4.350 -0.012 0.000 0.190 550 E C 2.330 178.875 176.600 -0.092 0.000 0.982 550 E CA 0.765 57.135 56.400 -0.050 0.000 0.800 550 E CB 0.024 29.751 29.700 0.044 0.000 0.756 550 E HN 0.386 nan 8.360 nan 0.000 0.449 551 R N 0.576 120.999 120.500 -0.128 0.000 2.096 551 R HA -0.141 4.192 4.340 -0.012 0.000 0.235 551 R C 1.795 177.937 176.300 -0.264 0.000 1.127 551 R CA 1.227 57.234 56.100 -0.154 0.000 0.968 551 R CB 0.006 30.231 30.300 -0.124 0.000 0.861 551 R HN 0.021 nan 8.270 nan 0.000 0.440 552 E N -1.893 118.037 120.200 -0.450 0.000 2.431 552 E HA 0.041 4.384 4.350 -0.012 0.000 0.200 552 E C 0.046 176.141 176.600 -0.843 0.000 0.995 552 E CA 0.536 56.521 56.400 -0.692 0.000 0.915 552 E CB 0.613 29.688 29.700 -1.042 0.000 0.930 552 E HN 0.302 nan 8.360 nan 0.000 0.496 553 Y N -0.442 119.717 120.300 -0.234 0.000 2.666 553 Y HA 0.241 4.784 4.550 -0.013 0.000 0.260 553 Y C -0.135 175.675 175.900 -0.151 0.000 1.089 553 Y CA -0.609 57.397 58.100 -0.158 0.000 1.246 553 Y CB 0.871 39.245 38.460 -0.144 0.000 1.353 553 Y HN -0.273 nan 8.280 nan 0.000 0.558 554 K N 0.530 120.892 120.400 -0.064 0.000 3.077 554 K HA -0.143 4.170 4.320 -0.012 0.000 0.264 554 K C -0.386 176.022 176.600 -0.319 0.000 1.008 554 K CA 0.877 57.091 56.287 -0.121 0.000 0.740 554 K CB -2.351 30.113 32.500 -0.059 0.000 1.273 554 K HN 0.282 nan 8.250 nan 0.000 0.477 555 V N -2.382 117.350 119.914 -0.303 0.000 2.581 555 V HA 0.581 4.693 4.120 -0.012 0.000 0.303 555 V C 0.151 176.012 176.094 -0.390 0.000 1.041 555 V CA -0.917 61.142 62.300 -0.401 0.000 0.907 555 V CB 1.681 33.393 31.823 -0.185 0.000 0.994 555 V HN 0.318 nan 8.190 nan 0.000 0.442 556 H N 5.050 124.106 119.070 -0.023 0.000 2.551 556 H HA 0.774 5.323 4.556 -0.013 0.000 0.321 556 H C -0.124 175.191 175.328 -0.021 0.000 1.028 556 H CA -0.464 55.574 56.048 -0.016 0.000 1.215 556 H CB 1.564 31.321 29.762 -0.009 0.000 1.414 556 H HN 0.930 nan 8.280 nan 0.000 0.480 557 I N -0.434 120.197 120.570 0.102 0.000 2.689 557 I HA 0.461 4.624 4.170 -0.012 0.000 0.299 557 I C -0.413 175.779 176.117 0.125 0.000 1.059 557 I CA -1.345 59.998 61.300 0.071 0.000 1.055 557 I CB 2.121 40.125 38.000 0.007 0.000 1.243 557 I HN 0.347 nan 8.210 nan 0.000 0.425 558 N N 5.269 124.044 118.700 0.124 0.000 2.405 558 N HA 0.346 5.078 4.740 -0.012 0.000 0.260 558 N C -1.966 173.686 175.510 0.237 0.000 1.152 558 N CA -2.186 50.948 53.050 0.139 0.000 0.948 558 N CB 0.946 39.489 38.487 0.093 0.000 1.111 558 N HN 0.399 nan 8.380 nan 0.000 0.485 559 P HA 0.070 nan 4.420 nan 0.000 0.237 559 P C -0.172 177.132 177.300 0.006 0.000 1.178 559 P CA 0.866 64.058 63.100 0.153 0.000 0.766 559 P CB 0.222 31.981 31.700 0.098 0.000 0.876 560 N N -0.978 117.753 118.700 0.053 0.000 2.336 560 N HA 0.006 4.738 4.740 -0.012 0.000 0.189 560 N C 0.344 175.897 175.510 0.072 0.000 1.113 560 N CA -0.084 52.986 53.050 0.034 0.000 0.858 560 N CB 0.020 38.531 38.487 0.040 0.000 0.970 560 N HN 0.143 nan 8.380 nan 0.000 0.471 561 S N 0.092 115.851 115.700 0.098 0.000 2.632 561 S HA 0.220 4.682 4.470 -0.012 0.000 0.267 561 S C 0.033 174.625 174.600 -0.014 0.000 1.276 561 S CA -0.948 57.293 58.200 0.069 0.000 0.998 561 S CB 1.131 64.394 63.200 0.105 0.000 0.953 561 S HN 0.180 nan 8.310 nan 0.000 0.547 562 L N 1.919 122.964 121.223 -0.296 0.000 2.410 562 L HA 0.366 4.698 4.340 -0.012 0.000 0.273 562 L C -0.908 175.956 176.870 -0.009 0.000 1.144 562 L CA -0.509 53.982 54.840 -0.583 0.000 0.863 562 L CB -0.190 41.246 42.059 -1.038 0.000 1.140 562 L HN 0.705 nan 8.230 nan 0.000 0.463 563 F N 4.298 124.120 119.950 -0.213 0.000 2.405 563 F HA 0.109 4.629 4.527 -0.011 0.000 0.358 563 F C 0.397 176.135 175.800 -0.104 0.000 1.151 563 F CA -0.798 57.145 58.000 -0.095 0.000 1.161 563 F CB 0.528 39.520 39.000 -0.012 0.000 1.245 563 F HN 0.521 nan 8.300 nan 0.000 0.545 564 D N 4.879 125.275 120.400 -0.006 0.000 2.412 564 D HA 0.237 4.870 4.640 -0.012 0.000 0.224 564 D C -1.117 175.121 176.300 -0.103 0.000 1.093 564 D CA -0.082 53.873 54.000 -0.075 0.000 0.850 564 D CB 1.457 42.197 40.800 -0.099 0.000 1.046 564 D HN 0.267 nan 8.370 nan 0.000 0.507 565 V N 3.471 123.306 119.914 -0.132 0.000 2.588 565 V HA 0.540 4.653 4.120 -0.012 0.000 0.304 565 V C -1.457 174.484 176.094 -0.256 0.000 1.042 565 V CA -0.643 61.562 62.300 -0.159 0.000 0.877 565 V CB 1.834 33.619 31.823 -0.065 0.000 0.996 565 V HN 0.549 nan 8.190 nan 0.000 0.425 566 Q N 4.935 124.602 119.800 -0.221 0.000 2.394 566 Q HA 0.660 4.992 4.340 -0.012 0.000 0.261 566 Q C -1.461 174.375 176.000 -0.273 0.000 1.023 566 Q CA -0.631 55.029 55.803 -0.238 0.000 0.720 566 Q CB 1.837 30.464 28.738 -0.184 0.000 1.241 566 Q HN 1.080 nan 8.270 nan 0.000 0.483 567 V N 1.595 121.332 119.914 -0.294 0.000 2.487 567 V HA 0.876 4.988 4.120 -0.012 0.000 0.298 567 V C -0.981 174.847 176.094 -0.442 0.000 1.028 567 V CA -0.545 61.398 62.300 -0.595 0.000 0.860 567 V CB 1.169 32.380 31.823 -1.019 0.000 0.991 567 V HN 0.833 nan 8.190 nan 0.000 0.427 568 K N 2.493 122.686 120.400 -0.345 0.000 2.960 568 K HA 0.408 4.720 4.320 -0.012 0.000 0.296 568 K C -1.197 175.435 176.600 0.052 0.000 1.092 568 K CA -1.189 55.091 56.287 -0.012 0.000 0.847 568 K CB 0.785 33.265 32.500 -0.033 0.000 1.458 568 K HN 0.453 nan 8.250 nan 0.000 0.359 569 R N 0.961 121.558 120.500 0.161 0.000 2.697 569 R HA 0.119 4.451 4.340 -0.012 0.000 0.265 569 R C 0.347 176.693 176.300 0.077 0.000 1.009 569 R CA -0.228 55.972 56.100 0.167 0.000 1.099 569 R CB -0.150 30.323 30.300 0.289 0.000 0.965 569 R HN 0.491 nan 8.270 nan 0.000 0.428 570 I N 5.006 125.545 120.570 -0.051 0.000 2.421 570 I HA 0.114 4.276 4.170 -0.012 0.000 0.291 570 I C 0.732 176.614 176.117 -0.391 0.000 1.089 570 I CA 0.509 61.713 61.300 -0.161 0.000 1.354 570 I CB -0.317 37.600 38.000 -0.140 0.000 1.413 570 I HN 0.269 nan 8.210 nan 0.000 0.513 571 H N 4.510 123.489 119.070 -0.152 0.000 2.930 571 H HA 0.251 4.799 4.556 -0.013 0.000 0.371 571 H C 0.450 175.658 175.328 -0.199 0.000 1.169 571 H CA -0.525 55.473 56.048 -0.083 0.000 1.157 571 H CB 2.153 31.811 29.762 -0.172 0.000 1.789 571 H HN 0.485 nan 8.280 nan 0.000 0.547 572 E N 1.062 121.315 120.200 0.089 0.000 2.085 572 E HA -0.223 4.119 4.350 -0.012 0.000 0.194 572 E C 1.544 177.904 176.600 -0.401 0.000 0.994 572 E CA 1.699 58.089 56.400 -0.016 0.000 0.801 572 E CB -0.039 29.847 29.700 0.310 0.000 0.743 572 E HN 0.584 nan 8.360 nan 0.000 0.453 573 Y N 0.776 120.561 120.300 -0.858 0.000 2.352 573 Y HA -0.052 4.490 4.550 -0.013 0.000 0.292 573 Y C 1.528 177.169 175.900 -0.431 0.000 1.136 573 Y CA 0.899 58.324 58.100 -1.125 0.000 1.227 573 Y CB -0.139 37.694 38.460 -1.045 0.000 0.991 573 Y HN -0.203 nan 8.280 nan 0.000 0.545 574 K N 0.706 120.614 120.400 -0.820 0.000 2.432 574 K HA 0.063 4.375 4.320 -0.012 0.000 0.196 574 K C 0.154 176.581 176.600 -0.289 0.000 1.038 574 K CA 0.510 56.460 56.287 -0.563 0.000 0.986 574 K CB -0.051 32.118 32.500 -0.553 0.000 0.782 574 K HN 0.260 nan 8.250 nan 0.000 0.485 575 R N 0.429 120.785 120.500 -0.239 0.000 3.336 575 R HA -0.237 4.095 4.340 -0.012 0.000 0.260 575 R C 0.309 176.528 176.300 -0.135 0.000 1.032 575 R CA 0.236 56.248 56.100 -0.146 0.000 0.693 575 R CB -1.896 28.336 30.300 -0.114 0.000 1.134 575 R HN 0.309 nan 8.270 nan 0.000 0.433 576 Q N 0.342 120.061 119.800 -0.135 0.000 2.248 576 Q HA -0.096 4.237 4.340 -0.012 0.000 0.208 576 Q C 2.044 177.994 176.000 -0.083 0.000 0.984 576 Q CA 1.582 57.322 55.803 -0.107 0.000 0.875 576 Q CB -0.021 28.657 28.738 -0.100 0.000 0.910 576 Q HN 0.585 nan 8.270 nan 0.000 0.433 577 L N -0.644 120.533 121.223 -0.078 0.000 2.083 577 L HA -0.185 4.147 4.340 -0.012 0.000 0.209 577 L C 2.025 178.894 176.870 -0.002 0.000 1.083 577 L CA 0.555 55.363 54.840 -0.053 0.000 0.752 577 L CB -0.315 41.721 42.059 -0.037 0.000 0.899 577 L HN 0.311 nan 8.230 nan 0.000 0.433 578 L N 0.018 121.234 121.223 -0.012 0.000 2.046 578 L HA -0.241 4.092 4.340 -0.012 0.000 0.208 578 L C 2.034 178.961 176.870 0.095 0.000 1.077 578 L CA 1.916 56.764 54.840 0.013 0.000 0.747 578 L CB -0.787 41.175 42.059 -0.162 0.000 0.896 578 L HN 0.274 nan 8.230 nan 0.000 0.432 579 N N -1.619 117.101 118.700 0.033 0.000 2.061 579 N HA -0.259 4.473 4.740 -0.012 0.000 0.193 579 N C 1.948 177.538 175.510 0.133 0.000 1.030 579 N CA 1.820 54.963 53.050 0.156 0.000 0.856 579 N CB -0.165 38.343 38.487 0.036 0.000 1.023 579 N HN 0.501 nan 8.380 nan 0.000 0.424 580 C N 0.460 119.775 119.300 0.025 0.000 2.413 580 C HA -0.083 4.370 4.460 -0.012 0.000 0.277 580 C C 2.553 177.532 174.990 -0.017 0.000 1.265 580 C CA 0.407 59.393 59.018 -0.053 0.000 1.752 580 C CB -1.257 26.399 27.740 -0.140 0.000 1.998 580 C HN 0.503 nan 8.230 nan 0.000 0.489 581 L N -0.455 120.820 121.223 0.087 0.000 2.093 581 L HA -0.172 4.161 4.340 -0.012 0.000 0.208 581 L C 2.753 179.774 176.870 0.252 0.000 1.085 581 L CA 1.649 56.588 54.840 0.165 0.000 0.755 581 L CB -1.059 41.162 42.059 0.270 0.000 0.904 581 L HN 0.580 nan 8.230 nan 0.000 0.435 582 H N 0.099 119.272 119.070 0.172 0.000 2.353 582 H HA -0.132 4.417 4.556 -0.012 0.000 0.300 582 H C 2.237 177.553 175.328 -0.020 0.000 1.090 582 H CA 1.861 57.925 56.048 0.026 0.000 1.327 582 H CB 0.340 30.038 29.762 -0.107 0.000 1.383 582 H HN 0.086 nan 8.280 nan 0.000 0.508 583 V N 1.589 121.427 119.914 -0.127 0.000 2.287 583 V HA -0.290 3.823 4.120 -0.012 0.000 0.248 583 V C 2.843 178.874 176.094 -0.106 0.000 1.053 583 V CA 2.028 64.222 62.300 -0.177 0.000 1.027 583 V CB -0.545 31.215 31.823 -0.105 0.000 0.646 583 V HN 0.383 nan 8.190 nan 0.000 0.447 584 I N -0.218 120.325 120.570 -0.045 0.000 2.286 584 I HA -0.224 3.939 4.170 -0.012 0.000 0.248 584 I C 2.506 178.677 176.117 0.090 0.000 1.115 584 I CA 1.735 63.079 61.300 0.073 0.000 1.392 584 I CB -0.728 37.292 38.000 0.033 0.000 1.065 584 I HN 0.328 nan 8.210 nan 0.000 0.418 585 T N 1.239 115.803 114.554 0.016 0.000 2.684 585 T HA -0.167 4.175 4.350 -0.012 0.000 0.267 585 T C 1.882 176.532 174.700 -0.083 0.000 1.036 585 T CA 1.292 63.390 62.100 -0.003 0.000 1.148 585 T CB -0.301 68.589 68.868 0.037 0.000 0.863 585 T HN 0.079 nan 8.240 nan 0.000 0.436 586 L N 0.098 121.202 121.223 -0.199 0.000 2.012 586 L HA -0.051 4.282 4.340 -0.012 0.000 0.210 586 L C 2.136 178.965 176.870 -0.069 0.000 1.073 586 L CA 1.640 56.361 54.840 -0.197 0.000 0.748 586 L CB -1.064 40.807 42.059 -0.313 0.000 0.891 586 L HN 0.369 nan 8.230 nan 0.000 0.431 587 Y N 0.153 120.387 120.300 -0.109 0.000 2.181 587 Y HA -0.293 4.249 4.550 -0.013 0.000 0.288 587 Y C 2.436 178.316 175.900 -0.033 0.000 1.146 587 Y CA 1.842 59.918 58.100 -0.041 0.000 1.164 587 Y CB -0.098 38.381 38.460 0.033 0.000 0.982 587 Y HN 0.283 nan 8.280 nan 0.000 0.515 588 N N 0.434 119.072 118.700 -0.104 0.000 2.188 588 N HA -0.132 4.600 4.740 -0.012 0.000 0.184 588 N C 1.826 177.218 175.510 -0.197 0.000 1.018 588 N CA 1.468 54.398 53.050 -0.200 0.000 0.858 588 N CB -0.352 38.084 38.487 -0.085 0.000 0.989 588 N HN 0.437 nan 8.380 nan 0.000 0.426 589 R N 0.422 120.837 120.500 -0.143 0.000 2.081 589 R HA 0.057 4.389 4.340 -0.012 0.000 0.235 589 R C 2.225 178.439 176.300 -0.142 0.000 1.131 589 R CA 0.793 56.819 56.100 -0.124 0.000 0.960 589 R CB -0.270 29.969 30.300 -0.102 0.000 0.856 589 R HN 0.240 nan 8.270 nan 0.000 0.436 590 I N 0.954 121.420 120.570 -0.173 0.000 2.179 590 I HA -0.279 3.883 4.170 -0.012 0.000 0.242 590 I C 2.118 178.118 176.117 -0.195 0.000 1.088 590 I CA 1.221 62.419 61.300 -0.169 0.000 1.357 590 I CB -0.199 37.707 38.000 -0.156 0.000 1.051 590 I HN 0.030 nan 8.210 nan 0.000 0.409 591 K N 0.866 121.083 120.400 -0.305 0.000 2.147 591 K HA -0.195 4.118 4.320 -0.012 0.000 0.205 591 K C 2.004 178.504 176.600 -0.167 0.000 1.049 591 K CA 1.174 57.297 56.287 -0.274 0.000 0.936 591 K CB -0.333 31.921 32.500 -0.410 0.000 0.722 591 K HN 0.336 nan 8.250 nan 0.000 0.446 592 K N 1.093 121.401 120.400 -0.152 0.000 2.062 592 K HA -0.081 4.231 4.320 -0.012 0.000 0.205 592 K C -0.018 176.535 176.600 -0.079 0.000 1.051 592 K CA 1.055 57.279 56.287 -0.104 0.000 0.941 592 K CB 0.335 32.778 32.500 -0.096 0.000 0.719 592 K HN 0.080 nan 8.250 nan 0.000 0.440 593 E N 0.169 120.321 120.200 -0.080 0.000 3.108 593 E HA 0.121 4.464 4.350 -0.012 0.000 0.228 593 E C -2.323 174.243 176.600 -0.057 0.000 1.176 593 E CA -1.592 54.774 56.400 -0.057 0.000 0.881 593 E CB 1.745 31.418 29.700 -0.045 0.000 1.354 593 E HN 0.130 nan 8.360 nan 0.000 0.400 594 P HA -0.110 nan 4.420 nan 0.000 0.218 594 P C 0.309 177.592 177.300 -0.028 0.000 1.149 594 P CA 1.132 64.201 63.100 -0.051 0.000 0.817 594 P CB 0.223 31.897 31.700 -0.043 0.000 0.785 595 N N -1.203 117.488 118.700 -0.013 0.000 2.322 595 N HA 0.008 4.741 4.740 -0.012 0.000 0.194 595 N C 0.601 176.127 175.510 0.028 0.000 1.126 595 N CA -0.085 52.970 53.050 0.008 0.000 0.845 595 N CB 0.072 38.563 38.487 0.008 0.000 0.976 595 N HN 0.015 nan 8.380 nan 0.000 0.475 596 K N 1.216 121.626 120.400 0.016 0.000 2.174 596 K HA 0.107 4.419 4.320 -0.012 0.000 0.275 596 K C -0.860 175.780 176.600 0.066 0.000 1.015 596 K CA -0.474 55.838 56.287 0.042 0.000 0.933 596 K CB 0.543 33.048 32.500 0.009 0.000 1.025 596 K HN -0.054 nan 8.250 nan 0.000 0.463 597 F N 4.722 124.659 119.950 -0.021 0.000 2.456 597 F HA 0.195 4.714 4.527 -0.013 0.000 0.358 597 F C -0.359 175.427 175.800 -0.023 0.000 1.095 597 F CA -0.190 57.799 58.000 -0.019 0.000 1.216 597 F CB 0.625 39.616 39.000 -0.014 0.000 1.125 597 F HN 0.191 nan 8.300 nan 0.000 0.549 598 V N 4.239 123.623 119.914 -0.884 0.000 2.876 598 V HA 0.564 4.676 4.120 -0.012 0.000 0.312 598 V C -0.704 174.768 176.094 -1.037 0.000 1.085 598 V CA -1.214 60.664 62.300 -0.705 0.000 0.945 598 V CB 1.070 32.680 31.823 -0.356 0.000 1.017 598 V HN 0.566 nan 8.190 nan 0.000 0.428 599 V N 4.608 124.200 119.914 -0.537 0.000 2.485 599 V HA 0.202 4.314 4.120 -0.012 0.000 0.287 599 V C -1.841 174.088 176.094 -0.275 0.000 1.022 599 V CA -0.512 61.607 62.300 -0.301 0.000 1.067 599 V CB 0.355 32.128 31.823 -0.084 0.000 0.967 599 V HN 0.903 nan 8.190 nan 0.000 0.479 600 P HA 0.333 nan 4.420 nan 0.000 0.271 600 P C -0.424 176.789 177.300 -0.146 0.000 1.216 600 P CA -0.091 62.919 63.100 -0.151 0.000 0.776 600 P CB 0.546 32.204 31.700 -0.069 0.000 0.881 601 R N 1.023 121.449 120.500 -0.123 0.000 2.686 601 R HA 0.515 4.847 4.340 -0.012 0.000 0.283 601 R C -0.781 175.474 176.300 -0.075 0.000 0.978 601 R CA -0.615 55.414 56.100 -0.118 0.000 0.897 601 R CB 1.967 32.182 30.300 -0.141 0.000 1.192 601 R HN 0.312 nan 8.270 nan 0.000 0.457 602 T N 2.234 116.754 114.554 -0.057 0.000 2.770 602 T HA 0.238 4.581 4.350 -0.012 0.000 0.297 602 T C -0.193 174.407 174.700 -0.167 0.000 0.997 602 T CA -0.466 61.550 62.100 -0.140 0.000 0.949 602 T CB 1.132 69.830 68.868 -0.284 0.000 0.941 602 T HN 0.132 nan 8.240 nan 0.000 0.457 603 V N 5.858 125.688 119.914 -0.140 0.000 2.364 603 V HA 0.396 4.509 4.120 -0.012 0.000 0.272 603 V C 0.055 176.067 176.094 -0.138 0.000 1.036 603 V CA -0.425 61.801 62.300 -0.123 0.000 0.880 603 V CB 0.667 32.436 31.823 -0.091 0.000 0.991 603 V HN 0.866 nan 8.190 nan 0.000 0.460 604 M N 6.584 126.092 119.600 -0.153 0.000 2.167 604 M HA 0.606 5.078 4.480 -0.012 0.000 0.333 604 M C -0.958 175.235 176.300 -0.178 0.000 1.030 604 M CA -0.116 55.086 55.300 -0.163 0.000 0.963 604 M CB 1.846 34.348 32.600 -0.164 0.000 1.589 604 M HN 0.433 nan 8.290 nan 0.000 0.431 605 I N 1.988 122.437 120.570 -0.201 0.000 2.465 605 I HA 0.822 4.985 4.170 -0.012 0.000 0.291 605 I C 0.120 175.921 176.117 -0.527 0.000 1.014 605 I CA -0.650 60.503 61.300 -0.244 0.000 1.093 605 I CB 2.236 40.181 38.000 -0.091 0.000 1.267 605 I HN 0.775 nan 8.210 nan 0.000 0.431 606 G N 2.948 111.402 108.800 -0.577 0.000 2.690 606 G HA2 0.833 4.785 3.960 -0.012 0.000 0.293 606 G HA3 0.833 4.785 3.960 -0.012 0.000 0.293 606 G C -1.011 173.597 174.900 -0.488 0.000 1.399 606 G CA -0.804 43.810 45.100 -0.810 0.000 0.890 606 G HN 0.989 nan 8.290 nan 0.000 0.485 607 G N -0.295 108.357 108.800 -0.247 0.000 2.352 607 G HA2 0.402 4.354 3.960 -0.012 0.000 0.303 607 G HA3 0.402 4.354 3.960 -0.012 0.000 0.303 607 G C -1.203 173.827 174.900 0.216 0.000 1.593 607 G CA -1.049 44.089 45.100 0.064 0.000 0.963 607 G HN 0.615 nan 8.290 nan 0.000 0.685 608 K N -0.072 120.450 120.400 0.204 0.000 2.098 608 K HA 0.737 5.050 4.320 -0.012 0.000 0.261 608 K C 0.297 177.017 176.600 0.199 0.000 0.987 608 K CA -0.132 56.293 56.287 0.229 0.000 0.916 608 K CB 1.950 34.493 32.500 0.071 0.000 1.039 608 K HN 0.860 nan 8.250 nan 0.000 0.455 609 A N 1.380 124.352 122.820 0.254 0.000 2.317 609 A HA 0.618 4.930 4.320 -0.012 0.000 0.327 609 A C -0.440 177.314 177.584 0.285 0.000 1.178 609 A CA -0.759 51.365 52.037 0.145 0.000 0.817 609 A CB 1.011 20.030 19.000 0.032 0.000 1.189 609 A HN 0.774 nan 8.150 nan 0.000 0.489 610 A N 3.723 126.695 122.820 0.254 0.000 2.546 610 A HA 0.447 4.760 4.320 -0.012 0.000 0.243 610 A C -1.366 176.334 177.584 0.194 0.000 1.063 610 A CA -0.722 51.488 52.037 0.288 0.000 0.757 610 A CB -0.388 18.784 19.000 0.288 0.000 0.991 610 A HN 0.602 nan 8.150 nan 0.000 0.503 611 P HA -0.160 nan 4.420 nan 0.000 0.217 611 P C 1.321 178.636 177.300 0.025 0.000 1.148 611 P CA 2.030 65.098 63.100 -0.053 0.000 0.834 611 P CB 0.215 31.829 31.700 -0.143 0.000 0.783 612 G N -3.203 105.647 108.800 0.083 0.000 3.088 612 G HA2 -0.075 3.878 3.960 -0.012 0.000 0.217 612 G HA3 -0.075 3.878 3.960 -0.012 0.000 0.217 612 G C -0.194 174.798 174.900 0.153 0.000 1.159 612 G CA -0.121 45.029 45.100 0.083 0.000 0.760 612 G HN 0.305 nan 8.290 nan 0.000 0.550 613 Y N 1.777 122.102 120.300 0.041 0.000 2.650 613 Y HA 0.186 4.729 4.550 -0.013 0.000 0.343 613 Y C 1.657 177.597 175.900 0.068 0.000 1.078 613 Y CA -1.049 57.080 58.100 0.049 0.000 1.356 613 Y CB 0.160 38.642 38.460 0.037 0.000 1.204 613 Y HN 0.301 nan 8.280 nan 0.000 0.508 614 H N 4.281 123.510 119.070 0.264 0.000 2.321 614 H HA -0.209 4.340 4.556 -0.012 0.000 0.300 614 H C 1.804 177.192 175.328 0.101 0.000 1.087 614 H CA 2.251 58.383 56.048 0.138 0.000 1.319 614 H CB 0.364 30.186 29.762 0.101 0.000 1.379 614 H HN 0.731 nan 8.280 nan 0.000 0.501 615 M N 1.120 120.741 119.600 0.035 0.000 2.149 615 M HA -0.080 4.392 4.480 -0.012 0.000 0.261 615 M C 2.529 178.635 176.300 -0.324 0.000 1.064 615 M CA 1.810 57.045 55.300 -0.109 0.000 1.102 615 M CB -0.698 31.983 32.600 0.133 0.000 1.369 615 M HN 0.349 nan 8.290 nan 0.000 0.408 616 A N -0.391 122.030 122.820 -0.665 0.000 1.933 616 A HA -0.186 4.127 4.320 -0.012 0.000 0.218 616 A C 2.183 179.583 177.584 -0.308 0.000 1.175 616 A CA 1.829 53.470 52.037 -0.661 0.000 0.628 616 A CB -0.634 17.740 19.000 -1.043 0.000 0.814 616 A HN 0.586 nan 8.150 nan 0.000 0.444 617 K N -1.083 119.195 120.400 -0.202 0.000 2.148 617 K HA -0.033 4.280 4.320 -0.012 0.000 0.204 617 K C 1.892 178.472 176.600 -0.034 0.000 1.050 617 K CA 1.160 57.413 56.287 -0.057 0.000 0.942 617 K CB -0.202 32.326 32.500 0.046 0.000 0.724 617 K HN 0.349 nan 8.250 nan 0.000 0.446 618 M N 0.501 120.030 119.600 -0.119 0.000 2.175 618 M HA -0.071 4.401 4.480 -0.012 0.000 0.264 618 M C 2.121 178.368 176.300 -0.088 0.000 1.063 618 M CA 1.366 56.635 55.300 -0.051 0.000 1.119 618 M CB -0.599 31.943 32.600 -0.096 0.000 1.377 618 M HN 0.119 nan 8.290 nan 0.000 0.415 619 I N -0.049 120.428 120.570 -0.156 0.000 2.226 619 I HA -0.305 3.857 4.170 -0.012 0.000 0.245 619 I C 2.281 178.269 176.117 -0.215 0.000 1.100 619 I CA 1.084 62.276 61.300 -0.181 0.000 1.374 619 I CB -0.284 37.609 38.000 -0.178 0.000 1.057 619 I HN 0.170 nan 8.210 nan 0.000 0.413 620 I N 0.582 121.007 120.570 -0.241 0.000 2.179 620 I HA -0.317 3.846 4.170 -0.012 0.000 0.242 620 I C 2.607 178.435 176.117 -0.482 0.000 1.088 620 I CA 1.286 62.339 61.300 -0.411 0.000 1.357 620 I CB -0.346 37.391 38.000 -0.437 0.000 1.051 620 I HN 0.148 nan 8.210 nan 0.000 0.409 621 K N 1.543 121.680 120.400 -0.438 0.000 2.063 621 K HA -0.181 4.132 4.320 -0.012 0.000 0.208 621 K C 2.065 178.500 176.600 -0.275 0.000 1.048 621 K CA 1.599 57.548 56.287 -0.563 0.000 0.928 621 K CB -0.645 31.261 32.500 -0.991 0.000 0.713 621 K HN 0.230 nan 8.250 nan 0.000 0.442 622 L N 0.383 121.472 121.223 -0.224 0.000 2.012 622 L HA -0.200 4.133 4.340 -0.012 0.000 0.210 622 L C 2.235 178.867 176.870 -0.397 0.000 1.073 622 L CA 1.830 56.367 54.840 -0.507 0.000 0.748 622 L CB -0.317 41.351 42.059 -0.652 0.000 0.891 622 L HN 0.295 nan 8.230 nan 0.000 0.431 623 I N -0.229 120.158 120.570 -0.305 0.000 2.163 623 I HA -0.342 3.821 4.170 -0.012 0.000 0.243 623 I C 2.640 178.649 176.117 -0.181 0.000 1.085 623 I CA 1.958 63.133 61.300 -0.209 0.000 1.347 623 I CB -0.589 37.367 38.000 -0.072 0.000 1.044 623 I HN 0.434 nan 8.210 nan 0.000 0.408 624 T N -0.795 113.620 114.554 -0.232 0.000 2.788 624 T HA -0.096 4.247 4.350 -0.012 0.000 0.268 624 T C 1.977 176.608 174.700 -0.115 0.000 1.044 624 T CA 0.984 62.979 62.100 -0.175 0.000 1.139 624 T CB -0.506 68.210 68.868 -0.254 0.000 0.867 624 T HN 0.345 nan 8.240 nan 0.000 0.454 625 A N 1.545 124.297 122.820 -0.114 0.000 1.898 625 A HA 0.140 4.452 4.320 -0.012 0.000 0.216 625 A C 2.386 179.991 177.584 0.036 0.000 1.181 625 A CA 1.297 53.339 52.037 0.008 0.000 0.620 625 A CB -0.818 18.287 19.000 0.176 0.000 0.819 625 A HN 0.590 nan 8.150 nan 0.000 0.442 626 I N -0.238 120.251 120.570 -0.135 0.000 2.179 626 I HA -0.220 3.943 4.170 -0.012 0.000 0.242 626 I C 2.745 178.828 176.117 -0.056 0.000 1.088 626 I CA 1.220 62.425 61.300 -0.158 0.000 1.357 626 I CB -0.722 37.059 38.000 -0.365 0.000 1.051 626 I HN 0.389 nan 8.210 nan 0.000 0.409 627 G N 0.436 109.192 108.800 -0.073 0.000 2.469 627 G HA2 -0.278 3.674 3.960 -0.012 0.000 0.219 627 G HA3 -0.278 3.674 3.960 -0.012 0.000 0.219 627 G C 1.267 176.170 174.900 0.004 0.000 1.150 627 G CA 1.111 46.178 45.100 -0.053 0.000 0.763 627 G HN 0.294 nan 8.290 nan 0.000 0.561 628 D N 0.011 120.446 120.400 0.057 0.000 2.149 628 D HA -0.090 4.543 4.640 -0.012 0.000 0.198 628 D C 2.729 179.138 176.300 0.183 0.000 0.990 628 D CA 0.787 54.878 54.000 0.151 0.000 0.839 628 D CB -0.268 40.569 40.800 0.061 0.000 0.948 628 D HN 0.248 nan 8.370 nan 0.000 0.460 629 V N 0.203 120.159 119.914 0.069 0.000 2.302 629 V HA -0.145 3.968 4.120 -0.012 0.000 0.243 629 V C 2.605 178.650 176.094 -0.081 0.000 1.036 629 V CA 0.820 63.104 62.300 -0.027 0.000 1.020 629 V CB -0.298 31.472 31.823 -0.087 0.000 0.657 629 V HN 0.032 nan 8.190 nan 0.000 0.453 630 V N 0.903 120.716 119.914 -0.168 0.000 2.307 630 V HA -0.196 3.917 4.120 -0.012 0.000 0.245 630 V C 2.164 178.208 176.094 -0.084 0.000 1.045 630 V CA 2.021 64.196 62.300 -0.209 0.000 1.024 630 V CB -0.846 30.851 31.823 -0.211 0.000 0.651 630 V HN 0.569 nan 8.190 nan 0.000 0.449 631 N N -0.274 118.335 118.700 -0.151 0.000 2.520 631 N HA -0.098 4.634 4.740 -0.012 0.000 0.185 631 N C 1.215 176.459 175.510 -0.443 0.000 1.068 631 N CA 0.953 53.820 53.050 -0.305 0.000 0.911 631 N CB -0.277 37.958 38.487 -0.420 0.000 0.961 631 N HN 0.688 nan 8.380 nan 0.000 0.446 632 H N -1.508 117.563 119.070 0.002 0.000 2.784 632 H HA 0.206 4.754 4.556 -0.012 0.000 0.273 632 H C -0.452 174.892 175.328 0.026 0.000 1.112 632 H CA -0.488 55.566 56.048 0.010 0.000 1.162 632 H CB 0.629 30.387 29.762 -0.007 0.000 1.586 632 H HN -0.014 nan 8.280 nan 0.000 0.548 633 D N 1.814 122.287 120.400 0.121 0.000 2.325 633 D HA 0.034 4.666 4.640 -0.012 0.000 0.251 633 D C -1.605 174.753 176.300 0.096 0.000 1.196 633 D CA -1.934 52.150 54.000 0.139 0.000 0.866 633 D CB 1.684 42.640 40.800 0.260 0.000 1.101 633 D HN 0.113 nan 8.370 nan 0.000 0.476 634 P HA -0.108 nan 4.420 nan 0.000 0.218 634 P C 1.587 178.910 177.300 0.038 0.000 1.149 634 P CA 0.342 63.472 63.100 0.049 0.000 0.817 634 P CB 0.419 32.143 31.700 0.040 0.000 0.785 635 V N -0.553 119.385 119.914 0.040 0.000 2.515 635 V HA -0.170 3.942 4.120 -0.012 0.000 0.250 635 V C 2.459 178.561 176.094 0.014 0.000 1.058 635 V CA 1.486 63.797 62.300 0.018 0.000 1.064 635 V CB -1.032 30.792 31.823 0.002 0.000 0.675 635 V HN -0.020 nan 8.190 nan 0.000 0.461 636 V N -0.205 119.735 119.914 0.044 0.000 2.307 636 V HA 0.083 4.195 4.120 -0.012 0.000 0.245 636 V C 1.785 177.889 176.094 0.015 0.000 1.045 636 V CA 1.668 63.994 62.300 0.043 0.000 1.024 636 V CB -1.260 30.635 31.823 0.120 0.000 0.651 636 V HN 0.747 nan 8.190 nan 0.000 0.449 637 G N 1.448 110.260 108.800 0.020 0.000 2.547 637 G HA2 -0.364 3.588 3.960 -0.012 0.000 0.271 637 G HA3 -0.364 3.588 3.960 -0.012 0.000 0.271 637 G C 0.296 175.196 174.900 0.000 0.000 1.209 637 G CA 0.423 45.529 45.100 0.009 0.000 0.959 637 G HN 0.661 nan 8.290 nan 0.000 0.563 638 D N 0.474 120.874 120.400 -0.000 0.000 2.319 638 D HA 0.113 4.746 4.640 -0.012 0.000 0.230 638 D C 1.926 178.217 176.300 -0.015 0.000 1.094 638 D CA 0.368 54.367 54.000 -0.000 0.000 0.856 638 D CB -0.157 40.652 40.800 0.014 0.000 0.915 638 D HN 0.617 nan 8.370 nan 0.000 0.517 639 R N -0.782 119.699 120.500 -0.033 0.000 2.161 639 R HA 0.201 4.533 4.340 -0.012 0.000 0.213 639 R C 0.009 176.265 176.300 -0.074 0.000 1.055 639 R CA 0.227 56.285 56.100 -0.071 0.000 0.996 639 R CB 0.255 30.495 30.300 -0.099 0.000 0.901 639 R HN 0.122 nan 8.270 nan 0.000 0.456 640 L N 0.687 121.883 121.223 -0.046 0.000 2.505 640 L HA 0.390 4.723 4.340 -0.012 0.000 0.266 640 L C -1.548 175.293 176.870 -0.047 0.000 0.954 640 L CA -0.495 54.316 54.840 -0.049 0.000 0.852 640 L CB 1.836 43.880 42.059 -0.025 0.000 1.282 640 L HN -0.170 nan 8.230 nan 0.000 0.403 641 R N 3.984 124.443 120.500 -0.069 0.000 2.575 641 R HA 0.749 5.081 4.340 -0.012 0.000 0.293 641 R C -1.641 174.600 176.300 -0.099 0.000 0.983 641 R CA -0.770 55.279 56.100 -0.084 0.000 0.887 641 R CB 2.392 32.642 30.300 -0.083 0.000 1.184 641 R HN 0.419 nan 8.270 nan 0.000 0.445 642 V N 4.983 124.838 119.914 -0.099 0.000 2.378 642 V HA 0.492 4.604 4.120 -0.012 0.000 0.288 642 V C -0.274 175.772 176.094 -0.079 0.000 1.016 642 V CA -0.724 61.520 62.300 -0.093 0.000 0.840 642 V CB 1.592 33.359 31.823 -0.093 0.000 0.994 642 V HN 0.537 nan 8.190 nan 0.000 0.431 643 I N 4.885 125.407 120.570 -0.079 0.000 2.466 643 I HA 0.429 4.591 4.170 -0.012 0.000 0.289 643 I C -0.657 175.442 176.117 -0.030 0.000 1.026 643 I CA -0.318 60.944 61.300 -0.064 0.000 1.078 643 I CB 1.908 39.843 38.000 -0.108 0.000 1.249 643 I HN 0.552 nan 8.210 nan 0.000 0.429 644 F N 7.138 127.016 119.950 -0.120 0.000 2.404 644 F HA 0.453 4.973 4.527 -0.012 0.000 0.358 644 F C -0.443 175.288 175.800 -0.115 0.000 1.120 644 F CA -0.616 57.317 58.000 -0.112 0.000 1.144 644 F CB 0.607 39.544 39.000 -0.104 0.000 1.133 644 F HN 0.176 nan 8.300 nan 0.000 0.495 645 L N 6.198 127.030 121.223 -0.651 0.000 2.407 645 L HA 0.149 4.481 4.340 -0.012 0.000 0.282 645 L C 0.260 176.866 176.870 -0.440 0.000 1.110 645 L CA 0.180 54.761 54.840 -0.432 0.000 0.863 645 L CB 0.104 41.989 42.059 -0.289 0.000 1.207 645 L HN 0.600 nan 8.230 nan 0.000 0.454 646 E N 3.351 123.432 120.200 -0.198 0.000 2.373 646 E HA -0.004 4.338 4.350 -0.012 0.000 0.267 646 E C 0.502 177.157 176.600 0.092 0.000 1.032 646 E CA -0.210 56.210 56.400 0.033 0.000 0.889 646 E CB 0.320 30.027 29.700 0.013 0.000 0.984 646 E HN 0.533 nan 8.360 nan 0.000 0.425 647 N N 2.615 121.424 118.700 0.182 0.000 2.738 647 N HA -0.279 4.453 4.740 -0.012 0.000 0.249 647 N C -1.547 174.055 175.510 0.155 0.000 1.047 647 N CA 0.519 53.676 53.050 0.178 0.000 0.707 647 N CB -1.633 36.974 38.487 0.201 0.000 0.937 647 N HN 0.491 nan 8.380 nan 0.000 0.545 648 Y N 1.603 121.909 120.300 0.011 0.000 2.721 648 Y HA 0.175 4.717 4.550 -0.013 0.000 0.329 648 Y C 1.130 177.051 175.900 0.035 0.000 1.211 648 Y CA 0.715 58.812 58.100 -0.006 0.000 1.512 648 Y CB 0.309 38.732 38.460 -0.061 0.000 1.249 648 Y HN 0.375 nan 8.280 nan 0.000 0.549 649 R N 2.477 122.630 120.500 -0.578 0.000 2.741 649 R HA 0.414 4.746 4.340 -0.012 0.000 0.274 649 R C -0.638 175.353 176.300 -0.515 0.000 1.029 649 R CA -0.595 55.275 56.100 -0.384 0.000 0.880 649 R CB 0.307 30.564 30.300 -0.072 0.000 1.264 649 R HN 0.362 nan 8.270 nan 0.000 0.465 650 V N 1.113 120.752 119.914 -0.459 0.000 2.287 650 V HA -0.289 3.824 4.120 -0.012 0.000 0.248 650 V C 2.576 178.547 176.094 -0.205 0.000 1.053 650 V CA 2.849 64.925 62.300 -0.374 0.000 1.027 650 V CB -0.788 30.758 31.823 -0.462 0.000 0.646 650 V HN 0.921 nan 8.190 nan 0.000 0.447 651 S N -0.026 115.574 115.700 -0.166 0.000 2.399 651 S HA -0.171 4.291 4.470 -0.012 0.000 0.231 651 S C 1.917 176.467 174.600 -0.083 0.000 1.022 651 S CA 1.633 59.764 58.200 -0.116 0.000 0.983 651 S CB -0.500 62.660 63.200 -0.068 0.000 0.803 651 S HN 0.397 nan 8.310 nan 0.000 0.480 652 L N 1.897 123.082 121.223 -0.065 0.000 2.109 652 L HA 0.332 4.665 4.340 -0.012 0.000 0.207 652 L C 2.679 179.570 176.870 0.035 0.000 1.086 652 L CA 1.341 56.186 54.840 0.008 0.000 0.760 652 L CB -1.261 40.863 42.059 0.109 0.000 0.910 652 L HN 0.344 nan 8.230 nan 0.000 0.437 653 A N -0.566 122.258 122.820 0.005 0.000 1.908 653 A HA -0.258 4.055 4.320 -0.012 0.000 0.218 653 A C 2.132 179.783 177.584 0.112 0.000 1.181 653 A CA 1.947 54.062 52.037 0.130 0.000 0.627 653 A CB -0.663 18.401 19.000 0.106 0.000 0.818 653 A HN 0.596 nan 8.150 nan 0.000 0.445 654 E N -0.462 119.785 120.200 0.078 0.000 2.265 654 E HA -0.177 4.166 4.350 -0.012 0.000 0.196 654 E C 1.926 178.494 176.600 -0.053 0.000 0.996 654 E CA 1.260 57.656 56.400 -0.006 0.000 0.832 654 E CB -0.063 29.534 29.700 -0.171 0.000 0.756 654 E HN 0.633 nan 8.360 nan 0.000 0.491 655 K N 0.043 120.396 120.400 -0.079 0.000 2.121 655 K HA 0.021 4.333 4.320 -0.012 0.000 0.203 655 K C 2.181 178.624 176.600 -0.261 0.000 1.041 655 K CA 0.481 56.708 56.287 -0.101 0.000 0.969 655 K CB -0.074 32.368 32.500 -0.097 0.000 0.799 655 K HN -0.046 nan 8.250 nan 0.000 0.456 656 V N 1.966 121.637 119.914 -0.406 0.000 2.453 656 V HA -0.148 3.965 4.120 -0.012 0.000 0.247 656 V C 1.920 177.780 176.094 -0.390 0.000 1.048 656 V CA 1.278 63.120 62.300 -0.763 0.000 1.049 656 V CB -0.186 31.274 31.823 -0.604 0.000 0.672 656 V HN 0.248 nan 8.190 nan 0.000 0.457 657 I N 0.661 121.051 120.570 -0.299 0.000 2.163 657 I HA -0.143 4.019 4.170 -0.012 0.000 0.243 657 I C -0.172 175.827 176.117 -0.196 0.000 1.085 657 I CA 1.730 62.778 61.300 -0.420 0.000 1.347 657 I CB -1.586 36.020 38.000 -0.657 0.000 1.044 657 I HN 0.360 nan 8.210 nan 0.000 0.408 658 P HA -0.150 nan 4.420 nan 0.000 0.221 658 P C 0.998 178.294 177.300 -0.007 0.000 1.145 658 P CA 1.407 64.484 63.100 -0.039 0.000 0.795 658 P CB -0.006 31.679 31.700 -0.024 0.000 0.775 659 A N -1.245 121.558 122.820 -0.029 0.000 2.238 659 A HA 0.443 4.756 4.320 -0.012 0.000 0.210 659 A C 1.197 178.874 177.584 0.156 0.000 1.179 659 A CA 0.177 52.247 52.037 0.054 0.000 0.827 659 A CB -0.693 18.362 19.000 0.092 0.000 0.856 659 A HN 0.206 nan 8.150 nan 0.000 0.488 660 A N -0.051 122.868 122.820 0.166 0.000 2.388 660 A HA 0.463 4.776 4.320 -0.012 0.000 0.257 660 A C 0.358 178.090 177.584 0.247 0.000 1.095 660 A CA -0.139 52.062 52.037 0.273 0.000 0.791 660 A CB 0.333 19.591 19.000 0.431 0.000 1.029 660 A HN 0.282 nan 8.150 nan 0.000 0.489 661 D N 0.466 121.014 120.400 0.248 0.000 2.394 661 D HA 0.122 4.755 4.640 -0.012 0.000 0.226 661 D C 0.004 176.520 176.300 0.360 0.000 0.990 661 D CA 0.718 54.919 54.000 0.336 0.000 0.902 661 D CB 0.326 41.259 40.800 0.222 0.000 1.038 661 D HN 0.356 nan 8.370 nan 0.000 0.499 662 L N 1.158 122.478 121.223 0.162 0.000 2.376 662 L HA 0.286 4.619 4.340 -0.012 0.000 0.275 662 L C -0.873 175.883 176.870 -0.190 0.000 0.987 662 L CA -0.286 54.571 54.840 0.028 0.000 0.828 662 L CB 2.099 44.151 42.059 -0.013 0.000 1.249 662 L HN -0.189 nan 8.230 nan 0.000 0.409 663 S N 4.350 119.851 115.700 -0.330 0.000 2.422 663 S HA 0.339 4.801 4.470 -0.012 0.000 0.308 663 S C -0.398 173.937 174.600 -0.440 0.000 1.097 663 S CA -0.662 57.106 58.200 -0.720 0.000 1.099 663 S CB 0.679 63.386 63.200 -0.822 0.000 0.976 663 S HN 0.555 nan 8.310 nan 0.000 0.471 664 E N 4.101 124.053 120.200 -0.414 0.000 2.089 664 E HA 0.214 4.557 4.350 -0.012 0.000 0.284 664 E C -0.543 175.946 176.600 -0.184 0.000 1.023 664 E CA -0.401 55.875 56.400 -0.207 0.000 0.819 664 E CB 1.019 30.625 29.700 -0.156 0.000 1.076 664 E HN 0.608 nan 8.360 nan 0.000 0.396 665 Q N 2.868 122.615 119.800 -0.088 0.000 3.064 665 Q HA 0.274 4.607 4.340 -0.012 0.000 0.258 665 Q C 0.573 176.561 176.000 -0.020 0.000 0.972 665 Q CA -0.121 55.643 55.803 -0.064 0.000 0.761 665 Q CB 0.287 28.998 28.738 -0.045 0.000 1.281 665 Q HN 0.617 nan 8.270 nan 0.000 0.455 666 I N -1.743 118.800 120.570 -0.045 0.000 3.569 666 I HA 0.275 4.437 4.170 -0.012 0.000 0.334 666 I C 0.429 176.496 176.117 -0.083 0.000 1.570 666 I CA -0.693 60.594 61.300 -0.021 0.000 1.082 666 I CB 0.537 38.527 38.000 -0.018 0.000 1.323 666 I HN 0.016 nan 8.210 nan 0.000 0.489 667 S N 0.511 116.160 115.700 -0.086 0.000 2.573 667 S HA 0.170 4.633 4.470 -0.012 0.000 0.277 667 S C 0.574 175.151 174.600 -0.038 0.000 1.346 667 S CA -0.205 57.961 58.200 -0.056 0.000 1.034 667 S CB 0.287 63.503 63.200 0.026 0.000 0.879 667 S HN 0.387 nan 8.310 nan 0.000 0.528 668 T N 2.792 117.355 114.554 0.015 0.000 2.902 668 T HA 0.390 4.733 4.350 -0.012 0.000 0.301 668 T C 0.753 175.462 174.700 0.016 0.000 1.012 668 T CA 0.236 62.354 62.100 0.031 0.000 1.151 668 T CB 0.017 68.972 68.868 0.145 0.000 0.946 668 T HN 1.022 nan 8.240 nan 0.000 0.542 669 A N 2.699 125.499 122.820 -0.035 0.000 2.566 669 A HA 0.452 4.764 4.320 -0.012 0.000 0.245 669 A C 1.636 179.214 177.584 -0.010 0.000 1.056 669 A CA 0.292 52.305 52.037 -0.040 0.000 0.757 669 A CB -0.891 18.072 19.000 -0.062 0.000 0.979 669 A HN 1.732 nan 8.150 nan 0.000 0.508 670 G N 1.367 110.160 108.800 -0.012 0.000 2.176 670 G HA2 -0.234 3.718 3.960 -0.012 0.000 0.232 670 G HA3 -0.234 3.718 3.960 -0.012 0.000 0.232 670 G C 0.830 175.720 174.900 -0.017 0.000 0.986 670 G CA 1.136 46.231 45.100 -0.008 0.000 0.643 670 G HN 1.996 nan 8.290 nan 0.000 0.522 671 T N -2.574 111.968 114.554 -0.020 0.000 3.038 671 T HA 0.409 4.752 4.350 -0.012 0.000 0.244 671 T C 0.739 175.292 174.700 -0.244 0.000 1.016 671 T CA 1.034 63.064 62.100 -0.116 0.000 1.098 671 T CB 0.547 69.399 68.868 -0.025 0.000 0.954 671 T HN 0.285 nan 8.240 nan 0.000 0.469 672 E N 1.544 121.726 120.200 -0.031 0.000 2.052 672 E HA 0.659 5.001 4.350 -0.012 0.000 0.283 672 E C 1.165 177.705 176.600 -0.099 0.000 1.071 672 E CA 0.100 56.517 56.400 0.029 0.000 0.851 672 E CB 0.839 30.619 29.700 0.135 0.000 1.066 672 E HN 0.354 nan 8.360 nan 0.000 0.396 673 A N 3.464 126.143 122.820 -0.236 0.000 1.892 673 A HA -0.220 4.093 4.320 -0.012 0.000 0.218 673 A C 2.004 179.452 177.584 -0.227 0.000 1.188 673 A CA 2.288 54.038 52.037 -0.478 0.000 0.631 673 A CB -0.321 18.165 19.000 -0.857 0.000 0.822 673 A HN 0.607 nan 8.150 nan 0.000 0.447 674 S N -3.812 111.820 115.700 -0.113 0.000 3.624 674 S HA 0.450 4.913 4.470 -0.012 0.000 0.244 674 S C 0.761 175.349 174.600 -0.021 0.000 1.115 674 S CA 1.449 59.630 58.200 -0.031 0.000 0.820 674 S CB -0.152 63.055 63.200 0.012 0.000 0.964 674 S HN 2.268 nan 8.310 nan 0.000 0.508 675 G N 0.359 109.152 108.800 -0.012 0.000 2.716 675 G HA2 -0.083 3.870 3.960 -0.012 0.000 0.686 675 G HA3 -0.083 3.870 3.960 -0.012 0.000 0.686 675 G C 0.266 175.147 174.900 -0.031 0.000 1.337 675 G CA 0.460 45.551 45.100 -0.015 0.000 0.829 675 G HN 1.316 nan 8.290 nan 0.000 0.599 676 T N -2.029 112.493 114.554 -0.053 0.000 3.051 676 T HA 0.378 4.720 4.350 -0.012 0.000 0.254 676 T C 2.426 177.030 174.700 -0.160 0.000 0.916 676 T CA 1.278 63.318 62.100 -0.100 0.000 0.894 676 T CB 0.153 68.952 68.868 -0.115 0.000 1.251 676 T HN 1.945 nan 8.240 nan 0.000 0.517 677 G N 3.305 112.037 108.800 -0.113 0.000 2.469 677 G HA2 -0.332 3.620 3.960 -0.012 0.000 0.219 677 G HA3 -0.332 3.620 3.960 -0.012 0.000 0.219 677 G C 1.457 176.419 174.900 0.102 0.000 1.150 677 G CA 1.367 46.433 45.100 -0.057 0.000 0.763 677 G HN 0.848 nan 8.290 nan 0.000 0.561 678 N N -0.042 118.691 118.700 0.056 0.000 2.061 678 N HA -0.121 4.612 4.740 -0.012 0.000 0.193 678 N C 1.460 176.977 175.510 0.010 0.000 1.030 678 N CA 0.751 53.830 53.050 0.048 0.000 0.856 678 N CB -0.360 38.111 38.487 -0.027 0.000 1.023 678 N HN 0.352 nan 8.380 nan 0.000 0.424 682 M N 0.309 119.992 119.600 0.139 0.000 2.117 682 M HA -0.159 4.314 4.480 -0.012 0.000 0.262 682 M C 1.990 178.339 176.300 0.082 0.000 1.065 682 M CA 1.818 57.168 55.300 0.084 0.000 1.114 682 M CB -0.066 32.574 32.600 0.065 0.000 1.361 682 M HN 0.322 nan 8.290 nan 0.000 0.408 683 L N 0.730 121.998 121.223 0.076 0.000 2.201 683 L HA -0.089 4.243 4.340 -0.012 0.000 0.212 683 L C 1.375 178.287 176.870 0.070 0.000 1.105 683 L CA 1.659 56.550 54.840 0.086 0.000 0.775 683 L CB -0.615 41.503 42.059 0.098 0.000 0.913 683 L HN 0.351 nan 8.230 nan 0.000 0.440 684 N N -0.387 118.345 118.700 0.054 0.000 2.235 684 N HA 0.173 4.905 4.740 -0.012 0.000 0.209 684 N C 0.820 176.364 175.510 0.057 0.000 1.122 684 N CA 0.793 53.869 53.050 0.043 0.000 0.845 684 N CB 0.626 39.116 38.487 0.005 0.000 1.004 684 N HN 0.400 nan 8.380 nan 0.000 0.499 685 G N 0.578 109.418 108.800 0.067 0.000 2.140 685 G HA2 -0.185 3.767 3.960 -0.012 0.000 0.211 685 G HA3 -0.185 3.767 3.960 -0.012 0.000 0.211 685 G C -0.027 174.940 174.900 0.113 0.000 1.013 685 G CA 0.081 45.221 45.100 0.067 0.000 0.705 685 G HN 0.501 nan 8.290 nan 0.000 0.508 686 A N -0.211 122.688 122.820 0.132 0.000 2.312 686 A HA 0.873 5.186 4.320 -0.012 0.000 0.328 686 A C 0.473 178.063 177.584 0.010 0.000 1.158 686 A CA -0.581 51.548 52.037 0.154 0.000 0.821 686 A CB 0.926 20.074 19.000 0.247 0.000 1.170 686 A HN 0.728 nan 8.150 nan 0.000 0.490 687 L N 0.882 122.072 121.223 -0.055 0.000 2.421 687 L HA 0.428 4.760 4.340 -0.012 0.000 0.263 687 L C 0.206 176.955 176.870 -0.201 0.000 1.122 687 L CA -0.293 54.417 54.840 -0.215 0.000 0.804 687 L CB 1.410 43.252 42.059 -0.362 0.000 1.150 687 L HN 0.681 nan 8.230 nan 0.000 0.457 688 T N 2.813 117.123 114.554 -0.407 0.000 2.779 688 T HA 0.438 4.780 4.350 -0.012 0.000 0.280 688 T C -0.359 174.189 174.700 -0.254 0.000 0.987 688 T CA -0.257 61.567 62.100 -0.460 0.000 0.966 688 T CB 1.403 69.796 68.868 -0.791 0.000 0.933 688 T HN 0.347 nan 8.240 nan 0.000 0.442 689 I N 3.220 123.750 120.570 -0.067 0.000 2.321 689 I HA 0.692 4.854 4.170 -0.012 0.000 0.291 689 I C 0.167 176.421 176.117 0.228 0.000 0.998 689 I CA 0.121 61.499 61.300 0.130 0.000 1.227 689 I CB 0.216 38.236 38.000 0.035 0.000 1.368 689 I HN 0.767 nan 8.210 nan 0.000 0.466 690 G N 4.034 113.048 108.800 0.357 0.000 2.677 690 G HA2 0.475 4.428 3.960 -0.012 0.000 0.291 690 G HA3 0.475 4.428 3.960 -0.012 0.000 0.291 690 G C -0.880 173.964 174.900 -0.093 0.000 1.435 690 G CA -0.466 44.761 45.100 0.211 0.000 0.826 690 G HN 0.573 nan 8.290 nan 0.000 0.491 691 T N -1.256 113.103 114.554 -0.325 0.000 2.874 691 T HA 0.500 4.842 4.350 -0.012 0.000 0.281 691 T C 0.732 175.315 174.700 -0.195 0.000 0.994 691 T CA -0.703 61.120 62.100 -0.461 0.000 1.015 691 T CB 1.120 69.728 68.868 -0.434 0.000 1.028 691 T HN 0.251 nan 8.240 nan 0.000 0.523 692 M N 2.913 122.408 119.600 -0.176 0.000 3.237 692 M HA 0.325 4.798 4.480 -0.012 0.000 0.266 692 M C -0.460 175.786 176.300 -0.091 0.000 1.456 692 M CA 0.003 55.236 55.300 -0.112 0.000 1.593 692 M CB -1.752 30.790 32.600 -0.097 0.000 1.129 692 M HN 0.743 nan 8.290 nan 0.000 0.547 693 D N 0.088 120.442 120.400 -0.078 0.000 2.732 693 D HA 0.668 5.301 4.640 -0.012 0.000 0.229 693 D C 0.663 176.940 176.300 -0.038 0.000 1.152 693 D CA 0.733 54.701 54.000 -0.053 0.000 0.854 693 D CB 1.711 42.482 40.800 -0.050 0.000 1.590 693 D HN 0.608 nan 8.370 nan 0.000 0.468 694 G N 1.764 110.550 108.800 -0.023 0.000 2.614 694 G HA2 -0.246 3.706 3.960 -0.012 0.000 0.303 694 G HA3 -0.246 3.706 3.960 -0.012 0.000 0.303 694 G C 1.052 175.944 174.900 -0.013 0.000 1.270 694 G CA 1.114 46.204 45.100 -0.016 0.000 0.988 694 G HN 1.096 nan 8.290 nan 0.000 0.551 695 A N -0.336 122.473 122.820 -0.018 0.000 2.167 695 A HA 0.092 4.404 4.320 -0.012 0.000 0.214 695 A C 2.118 179.643 177.584 -0.100 0.000 1.151 695 A CA 1.824 53.846 52.037 -0.024 0.000 0.735 695 A CB -0.460 18.521 19.000 -0.031 0.000 0.802 695 A HN 0.639 nan 8.150 nan 0.000 0.467 696 N N 0.628 119.275 118.700 -0.088 0.000 2.091 696 N HA -0.168 4.565 4.740 -0.012 0.000 0.193 696 N C 1.595 176.972 175.510 -0.222 0.000 1.021 696 N CA 1.665 54.653 53.050 -0.104 0.000 0.862 696 N CB -0.683 37.794 38.487 -0.016 0.000 1.018 696 N HN 0.296 nan 8.380 nan 0.000 0.429 697 V N 1.247 121.077 119.914 -0.140 0.000 2.287 697 V HA -0.219 3.893 4.120 -0.012 0.000 0.248 697 V C 1.995 178.011 176.094 -0.131 0.000 1.053 697 V CA 1.728 63.944 62.300 -0.139 0.000 1.027 697 V CB -0.505 31.274 31.823 -0.075 0.000 0.646 697 V HN 0.358 nan 8.190 nan 0.000 0.447 698 E N -0.591 119.588 120.200 -0.036 0.000 2.152 698 E HA -0.131 4.212 4.350 -0.012 0.000 0.192 698 E C 2.218 178.918 176.600 0.168 0.000 0.983 698 E CA 1.053 57.508 56.400 0.092 0.000 0.818 698 E CB -0.193 29.647 29.700 0.234 0.000 0.758 698 E HN 0.541 nan 8.360 nan 0.000 0.467 699 M N 0.556 120.140 119.600 -0.026 0.000 2.086 699 M HA -0.157 4.316 4.480 -0.012 0.000 0.261 699 M C 2.513 178.575 176.300 -0.396 0.000 1.067 699 M CA 1.589 56.796 55.300 -0.155 0.000 1.116 699 M CB -0.237 32.172 32.600 -0.318 0.000 1.348 699 M HN 0.143 nan 8.290 nan 0.000 0.407 700 A N -0.075 122.220 122.820 -0.875 0.000 1.902 700 A HA -0.228 4.084 4.320 -0.012 0.000 0.217 700 A C 2.000 179.393 177.584 -0.317 0.000 1.181 700 A CA 2.018 53.525 52.037 -0.883 0.000 0.623 700 A CB -0.842 17.666 19.000 -0.819 0.000 0.818 700 A HN 0.588 nan 8.150 nan 0.000 0.443 701 E N -0.445 119.636 120.200 -0.199 0.000 2.077 701 E HA -0.225 4.118 4.350 -0.012 0.000 0.193 701 E C 1.839 178.414 176.600 -0.042 0.000 0.989 701 E CA 1.336 57.682 56.400 -0.090 0.000 0.800 701 E CB -0.074 29.592 29.700 -0.057 0.000 0.746 701 E HN 0.566 nan 8.360 nan 0.000 0.452 702 E N 0.070 120.274 120.200 0.006 0.000 2.047 702 E HA -0.137 4.205 4.350 -0.012 0.000 0.191 702 E C 1.897 178.523 176.600 0.043 0.000 0.987 702 E CA 1.139 57.565 56.400 0.043 0.000 0.799 702 E CB -0.228 29.552 29.700 0.134 0.000 0.752 702 E HN 0.363 nan 8.360 nan 0.000 0.449 703 A N 0.442 123.294 122.820 0.053 0.000 2.021 703 A HA 0.301 4.614 4.320 -0.012 0.000 0.216 703 A C 1.095 178.698 177.584 0.032 0.000 1.163 703 A CA 1.190 53.272 52.037 0.074 0.000 0.676 703 A CB -0.091 19.011 19.000 0.170 0.000 0.818 703 A HN 0.273 nan 8.150 nan 0.000 0.453 704 G N -0.698 108.097 108.800 -0.008 0.000 3.055 704 G HA2 -0.088 3.865 3.960 -0.012 0.000 0.686 704 G HA3 -0.088 3.865 3.960 -0.012 0.000 0.686 704 G C -0.040 174.848 174.900 -0.021 0.000 1.087 704 G CA 0.002 45.090 45.100 -0.021 0.000 0.779 704 G HN 0.241 nan 8.290 nan 0.000 0.599 705 E N 0.899 121.074 120.200 -0.041 0.000 2.204 705 E HA -0.153 4.189 4.350 -0.012 0.000 0.195 705 E C 1.992 178.581 176.600 -0.018 0.000 0.990 705 E CA 1.689 58.072 56.400 -0.029 0.000 0.821 705 E CB 0.096 29.774 29.700 -0.036 0.000 0.750 705 E HN 0.765 nan 8.360 nan 0.000 0.477 706 E N 0.661 120.837 120.200 -0.039 0.000 2.338 706 E HA -0.078 4.264 4.350 -0.012 0.000 0.197 706 E C 0.916 177.433 176.600 -0.139 0.000 1.007 706 E CA 0.600 56.955 56.400 -0.076 0.000 0.849 706 E CB 0.012 29.679 29.700 -0.055 0.000 0.774 706 E HN 0.136 nan 8.360 nan 0.000 0.506 707 N N -0.331 118.316 118.700 -0.089 0.000 2.238 707 N HA 0.159 4.892 4.740 -0.012 0.000 0.222 707 N C -1.034 174.403 175.510 -0.121 0.000 1.133 707 N CA 0.043 53.013 53.050 -0.133 0.000 0.854 707 N CB 0.443 38.902 38.487 -0.046 0.000 1.041 707 N HN 0.045 nan 8.380 nan 0.000 0.510 708 F N -0.238 119.506 119.950 -0.343 0.000 2.578 708 F HA 0.393 4.912 4.527 -0.013 0.000 0.311 708 F C -0.910 174.693 175.800 -0.329 0.000 1.094 708 F CA -1.048 56.792 58.000 -0.266 0.000 0.923 708 F CB 1.330 40.258 39.000 -0.120 0.000 1.230 708 F HN -0.210 nan 8.300 nan 0.000 0.450 709 F N 5.864 125.803 119.950 -0.019 0.000 2.384 709 F HA 0.420 4.940 4.527 -0.012 0.000 0.359 709 F C -0.055 175.873 175.800 0.214 0.000 1.143 709 F CA -0.353 57.685 58.000 0.063 0.000 1.216 709 F CB -0.054 38.932 39.000 -0.024 0.000 1.512 709 F HN 0.088 nan 8.300 nan 0.000 0.573 710 I N 4.147 124.927 120.570 0.350 0.000 2.396 710 I HA 0.401 4.563 4.170 -0.012 0.000 0.292 710 I C -0.269 176.040 176.117 0.320 0.000 0.999 710 I CA -0.656 60.816 61.300 0.287 0.000 1.310 710 I CB 0.899 38.991 38.000 0.153 0.000 1.404 710 I HN 0.349 nan 8.210 nan 0.000 0.496 711 F N 3.526 123.545 119.950 0.114 0.000 2.685 711 F HA 0.935 5.454 4.527 -0.013 0.000 0.315 711 F C -0.012 175.828 175.800 0.066 0.000 1.126 711 F CA -0.628 57.427 58.000 0.092 0.000 0.950 711 F CB 1.007 40.075 39.000 0.114 0.000 1.360 711 F HN 0.777 nan 8.300 nan 0.000 0.469 712 G N 0.998 109.864 108.800 0.110 0.000 2.685 712 G HA2 -0.064 3.889 3.960 -0.012 0.000 0.387 712 G HA3 -0.064 3.889 3.960 -0.012 0.000 0.387 712 G C -0.936 173.937 174.900 -0.045 0.000 1.324 712 G CA -0.651 44.454 45.100 0.009 0.000 0.878 712 G HN 0.954 nan 8.290 nan 0.000 0.527 713 M N 0.982 120.564 119.600 -0.030 0.000 2.248 713 M HA 0.207 4.679 4.480 -0.012 0.000 0.345 713 M C 1.258 177.520 176.300 -0.062 0.000 1.243 713 M CA 0.075 55.362 55.300 -0.021 0.000 1.090 713 M CB 0.294 32.891 32.600 -0.007 0.000 1.683 713 M HN 0.513 nan 8.290 nan 0.000 0.450 714 R N 1.844 122.321 120.500 -0.038 0.000 2.541 714 R HA 0.250 4.582 4.340 -0.012 0.000 0.263 714 R C 1.225 177.505 176.300 -0.032 0.000 1.112 714 R CA -0.533 55.540 56.100 -0.045 0.000 1.170 714 R CB 0.024 30.305 30.300 -0.032 0.000 1.167 714 R HN 0.567 nan 8.270 nan 0.000 0.582 715 V N 1.593 121.487 119.914 -0.033 0.000 2.317 715 V HA -0.295 3.817 4.120 -0.012 0.000 0.251 715 V C 1.917 178.001 176.094 -0.016 0.000 1.065 715 V CA 2.125 64.409 62.300 -0.025 0.000 1.049 715 V CB -0.461 31.345 31.823 -0.028 0.000 0.651 715 V HN 0.641 nan 8.190 nan 0.000 0.450 716 E N -0.030 120.162 120.200 -0.013 0.000 2.110 716 E HA -0.180 4.162 4.350 -0.012 0.000 0.193 716 E C 1.968 178.572 176.600 0.007 0.000 0.988 716 E CA 1.370 57.767 56.400 -0.004 0.000 0.804 716 E CB -0.360 29.338 29.700 -0.003 0.000 0.745 716 E HN 0.632 nan 8.360 nan 0.000 0.458 717 D N -0.063 120.343 120.400 0.010 0.000 2.144 717 D HA -0.109 4.524 4.640 -0.012 0.000 0.200 717 D C 2.003 178.320 176.300 0.028 0.000 0.978 717 D CA 0.887 54.903 54.000 0.026 0.000 0.833 717 D CB -0.150 40.668 40.800 0.030 0.000 0.961 717 D HN 0.064 nan 8.370 nan 0.000 0.470 718 V N 1.863 121.782 119.914 0.007 0.000 2.295 718 V HA -0.221 3.892 4.120 -0.012 0.000 0.246 718 V C 1.989 178.086 176.094 0.005 0.000 1.049 718 V CA 1.728 64.026 62.300 -0.003 0.000 1.024 718 V CB -0.442 31.369 31.823 -0.019 0.000 0.648 718 V HN 0.023 nan 8.190 nan 0.000 0.447 719 D N -0.111 120.291 120.400 0.004 0.000 2.104 719 D HA -0.168 4.464 4.640 -0.012 0.000 0.194 719 D C 2.414 178.727 176.300 0.021 0.000 0.994 719 D CA 1.328 55.332 54.000 0.007 0.000 0.830 719 D CB -0.278 40.523 40.800 0.000 0.000 0.959 719 D HN 0.340 nan 8.370 nan 0.000 0.452 720 R N 0.002 120.520 120.500 0.029 0.000 2.091 720 R HA -0.032 4.301 4.340 -0.012 0.000 0.238 720 R C 2.489 178.826 176.300 0.062 0.000 1.136 720 R CA 0.548 56.673 56.100 0.042 0.000 0.959 720 R CB -0.348 29.979 30.300 0.044 0.000 0.856 720 R HN 0.204 nan 8.270 nan 0.000 0.437 721 L N 0.521 121.790 121.223 0.076 0.000 2.093 721 L HA -0.196 4.136 4.340 -0.012 0.000 0.208 721 L C 1.421 178.359 176.870 0.113 0.000 1.085 721 L CA 1.288 56.200 54.840 0.121 0.000 0.755 721 L CB -0.239 41.907 42.059 0.146 0.000 0.904 721 L HN 0.237 nan 8.230 nan 0.000 0.435 722 D N -0.520 119.921 120.400 0.068 0.000 2.117 722 D HA -0.200 4.432 4.640 -0.012 0.000 0.198 722 D C 2.204 178.536 176.300 0.053 0.000 0.982 722 D CA 1.076 55.109 54.000 0.055 0.000 0.828 722 D CB -0.018 40.794 40.800 0.020 0.000 0.967 722 D HN 0.426 nan 8.370 nan 0.000 0.464 723 Q N 0.125 119.952 119.800 0.045 0.000 2.050 723 Q HA -0.112 4.220 4.340 -0.012 0.000 0.202 723 Q C 2.289 178.316 176.000 0.046 0.000 0.980 723 Q CA 0.997 56.823 55.803 0.038 0.000 0.840 723 Q CB 0.011 28.768 28.738 0.031 0.000 0.898 723 Q HN 0.138 nan 8.270 nan 0.000 0.424 724 R N -0.351 120.184 120.500 0.058 0.000 2.073 724 R HA -0.014 4.318 4.340 -0.012 0.000 0.229 724 R C -0.052 176.289 176.300 0.068 0.000 1.120 724 R CA 0.992 57.128 56.100 0.061 0.000 0.967 724 R CB 0.159 30.503 30.300 0.073 0.000 0.862 724 R HN 0.302 nan 8.270 nan 0.000 0.436 725 G N -0.535 108.321 108.800 0.093 0.000 3.367 725 G HA2 -0.237 3.716 3.960 -0.012 0.000 0.686 725 G HA3 -0.237 3.716 3.960 -0.012 0.000 0.686 725 G C -1.494 173.505 174.900 0.163 0.000 1.146 725 G CA -0.429 44.735 45.100 0.107 0.000 0.913 725 G HN 0.264 nan 8.290 nan 0.000 0.554 726 Y N 3.153 123.491 120.300 0.063 0.000 2.486 726 Y HA 0.596 5.138 4.550 -0.012 0.000 0.348 726 Y C 0.259 176.221 175.900 0.104 0.000 1.000 726 Y CA -1.207 56.951 58.100 0.096 0.000 1.253 726 Y CB 1.094 39.594 38.460 0.066 0.000 1.140 726 Y HN 0.621 nan 8.280 nan 0.000 0.526 727 N N 4.759 123.264 118.700 -0.325 0.000 2.558 727 N HA 0.366 5.098 4.740 -0.012 0.000 0.242 727 N C 0.280 175.551 175.510 -0.398 0.000 0.979 727 N CA 0.233 53.095 53.050 -0.314 0.000 0.931 727 N CB 1.249 39.667 38.487 -0.114 0.000 1.122 727 N HN 0.747 nan 8.380 nan 0.000 0.508 728 A N 2.878 125.387 122.820 -0.518 0.000 1.969 728 A HA -0.170 4.143 4.320 -0.012 0.000 0.218 728 A C 1.879 179.598 177.584 0.224 0.000 1.169 728 A CA 1.315 53.267 52.037 -0.142 0.000 0.635 728 A CB -0.470 18.367 19.000 -0.271 0.000 0.810 728 A HN 0.718 nan 8.150 nan 0.000 0.445 729 Q N 0.337 120.163 119.800 0.042 0.000 2.152 729 Q HA -0.239 4.094 4.340 -0.012 0.000 0.206 729 Q C 1.864 177.932 176.000 0.114 0.000 0.985 729 Q CA 2.312 58.159 55.803 0.072 0.000 0.863 729 Q CB -0.373 28.363 28.738 -0.003 0.000 0.904 729 Q HN 0.767 nan 8.270 nan 0.000 0.422 730 E N -1.375 118.827 120.200 0.003 0.000 2.070 730 E HA -0.255 4.087 4.350 -0.012 0.000 0.197 730 E C 1.632 178.143 176.600 -0.148 0.000 1.004 730 E CA 1.654 57.977 56.400 -0.129 0.000 0.805 730 E CB -0.245 29.273 29.700 -0.303 0.000 0.744 730 E HN 0.597 nan 8.360 nan 0.000 0.451 731 Y N -1.152 119.213 120.300 0.108 0.000 2.200 731 Y HA -0.218 4.325 4.550 -0.012 0.000 0.290 731 Y C 2.252 178.141 175.900 -0.019 0.000 1.137 731 Y CA 1.525 59.674 58.100 0.081 0.000 1.163 731 Y CB -0.730 37.834 38.460 0.174 0.000 0.988 731 Y HN 0.232 nan 8.280 nan 0.000 0.518 732 Y N 1.388 121.704 120.300 0.026 0.000 2.151 732 Y HA -0.294 4.249 4.550 -0.012 0.000 0.284 732 Y C 1.800 177.661 175.900 -0.065 0.000 1.166 732 Y CA 1.903 59.944 58.100 -0.097 0.000 1.163 732 Y CB -0.393 38.065 38.460 -0.004 0.000 0.974 732 Y HN 0.099 nan 8.280 nan 0.000 0.511 733 D N -0.458 120.023 120.400 0.135 0.000 2.183 733 D HA -0.084 4.549 4.640 -0.012 0.000 0.203 733 D C 1.809 178.082 176.300 -0.046 0.000 0.969 733 D CA 1.215 55.243 54.000 0.046 0.000 0.842 733 D CB -0.081 40.764 40.800 0.074 0.000 0.957 733 D HN 0.481 nan 8.370 nan 0.000 0.484 734 R N -0.256 120.216 120.500 -0.046 0.000 2.365 734 R HA 0.297 4.629 4.340 -0.012 0.000 0.223 734 R C 0.305 176.584 176.300 -0.035 0.000 0.899 734 R CA 0.052 56.127 56.100 -0.042 0.000 1.059 734 R CB 1.221 31.495 30.300 -0.043 0.000 1.086 734 R HN 0.136 nan 8.270 nan 0.000 0.522 735 I N 2.205 122.735 120.570 -0.066 0.000 2.464 735 I HA 0.235 4.397 4.170 -0.012 0.000 0.277 735 I C -1.976 174.049 176.117 -0.153 0.000 1.040 735 I CA -2.335 58.930 61.300 -0.059 0.000 1.153 735 I CB 2.082 40.083 38.000 0.002 0.000 1.274 735 I HN -0.293 nan 8.210 nan 0.000 0.469 736 P HA -0.147 nan 4.420 nan 0.000 0.216 736 P C 1.200 178.407 177.300 -0.154 0.000 1.150 736 P CA 1.318 64.328 63.100 -0.149 0.000 0.837 736 P CB 0.320 31.965 31.700 -0.093 0.000 0.786 737 E N -0.965 119.181 120.200 -0.090 0.000 2.153 737 E HA -0.157 4.185 4.350 -0.012 0.000 0.194 737 E C 1.831 178.340 176.600 -0.150 0.000 0.988 737 E CA 0.690 57.053 56.400 -0.061 0.000 0.811 737 E CB -0.550 29.183 29.700 0.055 0.000 0.746 737 E HN 0.127 nan 8.360 nan 0.000 0.466 738 L N 1.098 122.145 121.223 -0.294 0.000 2.109 738 L HA -0.092 4.241 4.340 -0.012 0.000 0.207 738 L C 2.314 178.916 176.870 -0.447 0.000 1.086 738 L CA 1.508 56.010 54.840 -0.563 0.000 0.760 738 L CB -0.244 41.310 42.059 -0.841 0.000 0.910 738 L HN -0.102 nan 8.230 nan 0.000 0.437 739 R N -0.817 119.402 120.500 -0.467 0.000 2.081 739 R HA -0.234 4.099 4.340 -0.012 0.000 0.235 739 R C 2.384 178.515 176.300 -0.281 0.000 1.131 739 R CA 1.931 57.680 56.100 -0.585 0.000 0.960 739 R CB -0.321 29.560 30.300 -0.698 0.000 0.856 739 R HN 0.594 nan 8.270 nan 0.000 0.436 740 Q N 0.474 120.147 119.800 -0.212 0.000 2.061 740 Q HA -0.200 4.133 4.340 -0.012 0.000 0.204 740 Q C 2.066 178.008 176.000 -0.095 0.000 0.984 740 Q CA 2.097 57.817 55.803 -0.138 0.000 0.846 740 Q CB -0.130 28.529 28.738 -0.131 0.000 0.902 740 Q HN 0.465 nan 8.270 nan 0.000 0.421 741 I N 0.572 121.085 120.570 -0.094 0.000 2.179 741 I HA -0.293 3.869 4.170 -0.012 0.000 0.242 741 I C 2.152 178.289 176.117 0.034 0.000 1.088 741 I CA 0.715 62.001 61.300 -0.024 0.000 1.357 741 I CB -0.350 37.611 38.000 -0.066 0.000 1.051 741 I HN 0.310 nan 8.210 nan 0.000 0.409 742 I N 0.845 121.431 120.570 0.027 0.000 2.286 742 I HA -0.240 3.922 4.170 -0.012 0.000 0.248 742 I C 2.448 178.661 176.117 0.159 0.000 1.115 742 I CA 1.667 63.051 61.300 0.140 0.000 1.392 742 I CB -1.294 36.873 38.000 0.278 0.000 1.065 742 I HN 0.344 nan 8.210 nan 0.000 0.418 743 E N 0.343 120.615 120.200 0.120 0.000 2.106 743 E HA -0.230 4.113 4.350 -0.012 0.000 0.192 743 E C 2.193 178.852 176.600 0.098 0.000 0.984 743 E CA 0.933 57.397 56.400 0.106 0.000 0.806 743 E CB -0.105 29.628 29.700 0.054 0.000 0.750 743 E HN 0.567 nan 8.360 nan 0.000 0.458 744 Q N 0.431 120.272 119.800 0.067 0.000 2.084 744 Q HA -0.144 4.189 4.340 -0.012 0.000 0.202 744 Q C 2.352 178.532 176.000 0.301 0.000 0.978 744 Q CA 1.023 56.881 55.803 0.092 0.000 0.844 744 Q CB -0.063 28.643 28.738 -0.052 0.000 0.898 744 Q HN 0.299 nan 8.270 nan 0.000 0.426 745 L N -0.003 121.406 121.223 0.310 0.000 2.017 745 L HA -0.214 4.119 4.340 -0.012 0.000 0.208 745 L C 2.469 179.525 176.870 0.309 0.000 1.073 745 L CA 1.140 56.182 54.840 0.337 0.000 0.745 745 L CB -0.415 41.756 42.059 0.187 0.000 0.894 745 L HN 0.155 nan 8.230 nan 0.000 0.432 746 S N -0.365 115.469 115.700 0.224 0.000 2.382 746 S HA -0.160 4.302 4.470 -0.012 0.000 0.228 746 S C 2.074 176.775 174.600 0.169 0.000 1.027 746 S CA 1.545 59.855 58.200 0.184 0.000 0.991 746 S CB -0.259 63.028 63.200 0.145 0.000 0.823 746 S HN 0.616 nan 8.310 nan 0.000 0.469 747 S N 0.346 116.148 115.700 0.169 0.000 2.527 747 S HA 0.332 4.794 4.470 -0.012 0.000 0.222 747 S C 1.415 176.104 174.600 0.147 0.000 0.985 747 S CA 0.712 58.996 58.200 0.140 0.000 0.921 747 S CB 0.014 63.290 63.200 0.126 0.000 0.772 747 S HN 0.833 nan 8.310 nan 0.000 0.529 748 G N 0.470 109.390 108.800 0.199 0.000 2.135 748 G HA2 -0.256 3.697 3.960 -0.012 0.000 0.183 748 G HA3 -0.256 3.697 3.960 -0.012 0.000 0.183 748 G C 0.170 175.161 174.900 0.152 0.000 1.004 748 G CA 0.073 45.277 45.100 0.173 0.000 0.677 748 G HN 0.487 nan 8.290 nan 0.000 0.512 749 F N 0.320 120.277 119.950 0.012 0.000 2.161 749 F HA 0.177 4.697 4.527 -0.013 0.000 0.300 749 F C 1.914 177.526 175.800 -0.314 0.000 1.089 749 F CA 2.038 59.922 58.000 -0.192 0.000 1.282 749 F CB -0.036 38.769 39.000 -0.325 0.000 1.010 749 F HN 0.179 nan 8.300 nan 0.000 0.485 750 F N -0.472 119.619 119.950 0.236 0.000 2.727 750 F HA 0.192 4.712 4.527 -0.012 0.000 0.302 750 F C 0.670 176.576 175.800 0.177 0.000 1.097 750 F CA 0.245 58.341 58.000 0.160 0.000 1.330 750 F CB -0.092 39.020 39.000 0.186 0.000 1.084 750 F HN -0.056 nan 8.300 nan 0.000 0.578 751 S N -1.684 114.162 115.700 0.244 0.000 2.440 751 S HA 0.322 4.784 4.470 -0.012 0.000 0.142 751 S C -2.474 172.140 174.600 0.023 0.000 1.578 751 S CA -1.040 57.221 58.200 0.100 0.000 1.260 751 S CB 0.948 64.151 63.200 0.006 0.000 1.407 751 S HN -0.182 nan 8.310 nan 0.000 0.392 752 P HA -0.027 nan 4.420 nan 0.000 0.218 752 P C 0.945 178.231 177.300 -0.023 0.000 1.149 752 P CA 1.133 64.207 63.100 -0.042 0.000 0.817 752 P CB 0.093 31.742 31.700 -0.085 0.000 0.785 753 K N -1.275 119.112 120.400 -0.022 0.000 2.361 753 K HA 0.071 4.384 4.320 -0.012 0.000 0.196 753 K C 0.553 177.146 176.600 -0.011 0.000 1.039 753 K CA 0.568 56.845 56.287 -0.016 0.000 1.001 753 K CB 0.180 32.670 32.500 -0.016 0.000 0.795 753 K HN 0.252 nan 8.250 nan 0.000 0.495 754 Q N -0.083 119.708 119.800 -0.016 0.000 3.064 754 Q HA 0.158 4.490 4.340 -0.012 0.000 0.258 754 Q C -2.387 173.600 176.000 -0.023 0.000 0.972 754 Q CA -1.637 54.153 55.803 -0.023 0.000 0.761 754 Q CB 1.541 30.257 28.738 -0.037 0.000 1.281 754 Q HN -0.095 nan 8.270 nan 0.000 0.455 755 P HA -0.204 nan 4.420 nan 0.000 0.219 755 P C 0.565 177.895 177.300 0.051 0.000 1.146 755 P CA 1.391 64.514 63.100 0.038 0.000 0.808 755 P CB 0.230 31.953 31.700 0.039 0.000 0.779 756 D N -1.324 119.091 120.400 0.024 0.000 2.388 756 D HA 0.006 4.638 4.640 -0.012 0.000 0.221 756 D C 1.523 177.821 176.300 -0.003 0.000 1.133 756 D CA -0.305 53.718 54.000 0.039 0.000 0.831 756 D CB -0.644 40.182 40.800 0.043 0.000 0.962 756 D HN 0.012 nan 8.370 nan 0.000 0.502 757 L N -0.129 121.026 121.223 -0.114 0.000 2.081 757 L HA -0.037 4.296 4.340 -0.012 0.000 0.212 757 L C 1.131 177.815 176.870 -0.310 0.000 1.080 757 L CA 1.678 56.342 54.840 -0.293 0.000 0.754 757 L CB -0.584 41.121 42.059 -0.588 0.000 0.893 757 L HN 0.001 nan 8.230 nan 0.000 0.433 758 F N -0.669 119.339 119.950 0.097 0.000 2.668 758 F HA 0.132 4.651 4.527 -0.012 0.000 0.297 758 F C 1.850 177.701 175.800 0.085 0.000 1.124 758 F CA -0.161 57.886 58.000 0.077 0.000 1.353 758 F CB -0.251 38.783 39.000 0.057 0.000 0.992 758 F HN 0.106 nan 8.300 nan 0.000 0.524 759 K N -0.374 120.146 120.400 0.200 0.000 2.097 759 K HA -0.181 4.132 4.320 -0.012 0.000 0.206 759 K C 0.963 177.662 176.600 0.164 0.000 1.049 759 K CA 1.940 58.325 56.287 0.162 0.000 0.933 759 K CB -0.235 32.336 32.500 0.120 0.000 0.717 759 K HN 0.060 nan 8.250 nan 0.000 0.442 760 D N 1.301 121.814 120.400 0.189 0.000 2.144 760 D HA -0.081 4.552 4.640 -0.012 0.000 0.199 760 D C 2.023 178.423 176.300 0.167 0.000 0.984 760 D CA 1.114 55.237 54.000 0.206 0.000 0.834 760 D CB -0.102 40.870 40.800 0.286 0.000 0.955 760 D HN 0.308 nan 8.370 nan 0.000 0.465 761 I N 0.360 121.028 120.570 0.163 0.000 2.202 761 I HA -0.211 3.951 4.170 -0.012 0.000 0.242 761 I C 2.409 178.554 176.117 0.046 0.000 1.091 761 I CA 0.601 61.958 61.300 0.096 0.000 1.368 761 I CB -0.267 37.787 38.000 0.089 0.000 1.058 761 I HN -0.110 nan 8.210 nan 0.000 0.410 762 V N 1.278 121.242 119.914 0.084 0.000 2.287 762 V HA -0.309 3.803 4.120 -0.012 0.000 0.248 762 V C 2.255 178.336 176.094 -0.022 0.000 1.053 762 V CA 2.437 64.770 62.300 0.056 0.000 1.027 762 V CB -0.994 30.890 31.823 0.102 0.000 0.646 762 V HN 0.477 nan 8.190 nan 0.000 0.447 763 N N -0.145 118.570 118.700 0.025 0.000 2.084 763 N HA -0.215 4.518 4.740 -0.012 0.000 0.190 763 N C 1.865 177.241 175.510 -0.223 0.000 1.030 763 N CA 1.879 54.952 53.050 0.039 0.000 0.849 763 N CB -0.299 38.290 38.487 0.170 0.000 1.012 763 N HN 0.328 nan 8.380 nan 0.000 0.423 764 M N -0.157 119.258 119.600 -0.308 0.000 2.080 764 M HA -0.121 4.351 4.480 -0.012 0.000 0.260 764 M C 1.437 177.472 176.300 -0.442 0.000 1.068 764 M CA 1.347 56.268 55.300 -0.633 0.000 1.109 764 M CB -0.687 31.820 32.600 -0.154 0.000 1.342 764 M HN 0.214 nan 8.290 nan 0.000 0.405 765 L N 0.662 121.704 121.223 -0.302 0.000 2.042 765 L HA -0.217 4.115 4.340 -0.012 0.000 0.210 765 L C 2.473 178.999 176.870 -0.573 0.000 1.076 765 L CA 1.676 56.257 54.840 -0.431 0.000 0.749 765 L CB -1.186 40.674 42.059 -0.332 0.000 0.893 765 L HN 0.354 nan 8.230 nan 0.000 0.432 766 M N -1.962 117.360 119.600 -0.464 0.000 2.288 766 M HA -0.072 4.400 4.480 -0.012 0.000 0.266 766 M C 1.883 177.782 176.300 -0.668 0.000 1.072 766 M CA 1.431 56.381 55.300 -0.584 0.000 1.132 766 M CB -0.788 31.360 32.600 -0.753 0.000 1.386 766 M HN 0.337 nan 8.290 nan 0.000 0.432 767 H N -1.989 116.968 119.070 -0.190 0.000 2.926 767 H HA 0.188 4.736 4.556 -0.012 0.000 0.249 767 H C 0.152 175.484 175.328 0.005 0.000 0.963 767 H CA 0.670 56.671 56.048 -0.078 0.000 1.158 767 H CB 0.224 29.996 29.762 0.017 0.000 1.445 767 H HN 0.560 nan 8.280 nan 0.000 0.452 768 H N -1.150 117.977 119.070 0.095 0.000 2.825 768 H HA 0.292 4.841 4.556 -0.012 0.000 0.226 768 H C -1.119 174.231 175.328 0.037 0.000 1.414 768 H CA -0.619 55.471 56.048 0.070 0.000 1.198 768 H CB 0.049 29.853 29.762 0.070 0.000 2.013 768 H HN -0.131 nan 8.280 nan 0.000 0.530 769 D N 1.486 121.899 120.400 0.022 0.000 2.411 769 D HA 0.123 4.756 4.640 -0.012 0.000 0.225 769 D C 0.878 177.125 176.300 -0.088 0.000 1.156 769 D CA -0.412 53.582 54.000 -0.010 0.000 0.874 769 D CB 0.692 41.464 40.800 -0.048 0.000 1.034 769 D HN 0.480 nan 8.370 nan 0.000 0.502 770 R N 2.258 122.612 120.500 -0.243 0.000 2.237 770 R HA -0.061 4.272 4.340 -0.012 0.000 0.219 770 R C 0.552 176.368 176.300 -0.807 0.000 1.080 770 R CA 0.899 56.637 56.100 -0.603 0.000 0.995 770 R CB 0.093 29.822 30.300 -0.950 0.000 0.875 770 R HN 0.405 nan 8.270 nan 0.000 0.462 771 F N 0.222 120.128 119.950 -0.074 0.000 2.683 771 F HA 0.280 4.800 4.527 -0.012 0.000 0.306 771 F C 0.013 175.690 175.800 -0.204 0.000 1.102 771 F CA -0.732 57.211 58.000 -0.095 0.000 1.244 771 F CB 0.249 39.252 39.000 0.005 0.000 1.029 771 F HN -0.250 nan 8.300 nan 0.000 0.545 772 K N -0.354 119.856 120.400 -0.316 0.000 3.148 772 K HA -0.176 4.137 4.320 -0.012 0.000 0.267 772 K C 0.963 177.443 176.600 -0.200 0.000 0.996 772 K CA 0.220 56.139 56.287 -0.613 0.000 0.737 772 K CB -1.870 30.211 32.500 -0.699 0.000 1.308 772 K HN 0.223 nan 8.250 nan 0.000 0.470 773 V N -0.097 119.777 119.914 -0.066 0.000 2.332 773 V HA -0.272 3.841 4.120 -0.012 0.000 0.248 773 V C 1.946 178.181 176.094 0.234 0.000 1.055 773 V CA 2.223 64.564 62.300 0.068 0.000 1.038 773 V CB -0.497 31.364 31.823 0.064 0.000 0.651 773 V HN 0.487 nan 8.190 nan 0.000 0.450 774 F N 0.171 120.125 119.950 0.007 0.000 2.234 774 F HA -0.136 4.383 4.527 -0.013 0.000 0.299 774 F C 2.500 178.093 175.800 -0.346 0.000 1.087 774 F CA 0.582 58.532 58.000 -0.084 0.000 1.340 774 F CB -0.307 38.664 39.000 -0.047 0.000 1.031 774 F HN 0.198 nan 8.300 nan 0.000 0.500 775 A N -0.579 122.081 122.820 -0.266 0.000 2.067 775 A HA -0.176 4.136 4.320 -0.012 0.000 0.219 775 A C 1.423 178.989 177.584 -0.030 0.000 1.158 775 A CA 1.724 53.506 52.037 -0.425 0.000 0.661 775 A CB -0.410 18.488 19.000 -0.170 0.000 0.801 775 A HN 0.207 nan 8.150 nan 0.000 0.452 776 D N -2.842 117.607 120.400 0.081 0.000 2.369 776 D HA 0.091 4.724 4.640 -0.012 0.000 0.211 776 D C 1.165 177.619 176.300 0.256 0.000 1.077 776 D CA -0.043 54.078 54.000 0.202 0.000 0.842 776 D CB -0.116 40.819 40.800 0.224 0.000 0.947 776 D HN 0.571 nan 8.370 nan 0.000 0.509 777 Y N 2.050 122.423 120.300 0.122 0.000 2.097 777 Y HA -0.220 4.323 4.550 -0.012 0.000 0.282 777 Y C 2.077 178.052 175.900 0.125 0.000 1.152 777 Y CA 1.903 60.085 58.100 0.136 0.000 1.136 777 Y CB 0.181 38.693 38.460 0.085 0.000 0.975 777 Y HN -0.105 nan 8.280 nan 0.000 0.498 778 E N -0.026 120.223 120.200 0.081 0.000 2.038 778 E HA -0.246 4.096 4.350 -0.012 0.000 0.195 778 E C 2.182 178.744 176.600 -0.062 0.000 1.000 778 E CA 1.594 57.977 56.400 -0.028 0.000 0.803 778 E CB -0.182 29.601 29.700 0.138 0.000 0.750 778 E HN 0.634 nan 8.360 nan 0.000 0.448 779 E N -0.184 120.053 120.200 0.061 0.000 2.110 779 E HA -0.205 4.137 4.350 -0.012 0.000 0.193 779 E C 1.943 178.529 176.600 -0.024 0.000 0.988 779 E CA 0.808 57.266 56.400 0.097 0.000 0.804 779 E CB -0.149 29.700 29.700 0.249 0.000 0.745 779 E HN 0.269 nan 8.360 nan 0.000 0.458 780 Y N 1.392 121.491 120.300 -0.335 0.000 2.114 780 Y HA -0.234 4.309 4.550 -0.013 0.000 0.284 780 Y C 2.189 177.706 175.900 -0.639 0.000 1.143 780 Y CA 1.029 58.627 58.100 -0.837 0.000 1.135 780 Y CB -0.565 37.430 38.460 -0.775 0.000 0.980 780 Y HN -0.210 nan 8.280 nan 0.000 0.499 781 V N 0.435 119.989 119.914 -0.600 0.000 2.287 781 V HA -0.330 3.782 4.120 -0.012 0.000 0.248 781 V C 2.374 178.240 176.094 -0.381 0.000 1.053 781 V CA 2.388 64.359 62.300 -0.548 0.000 1.027 781 V CB -0.700 30.827 31.823 -0.494 0.000 0.646 781 V HN 0.228 nan 8.190 nan 0.000 0.447 782 K N -0.590 119.651 120.400 -0.265 0.000 2.032 782 K HA -0.203 4.110 4.320 -0.012 0.000 0.209 782 K C 2.284 178.792 176.600 -0.153 0.000 1.048 782 K CA 1.928 58.124 56.287 -0.150 0.000 0.927 782 K CB -0.891 31.569 32.500 -0.068 0.000 0.712 782 K HN 0.549 nan 8.250 nan 0.000 0.441 783 C N 0.902 120.089 119.300 -0.187 0.000 2.425 783 C HA -0.098 4.354 4.460 -0.012 0.000 0.277 783 C C 2.493 177.306 174.990 -0.295 0.000 1.280 783 C CA 0.790 59.725 59.018 -0.138 0.000 1.744 783 C CB -0.755 26.935 27.740 -0.084 0.000 1.989 783 C HN 0.476 nan 8.230 nan 0.000 0.491 784 Q N 0.449 119.936 119.800 -0.522 0.000 2.170 784 Q HA -0.177 4.156 4.340 -0.012 0.000 0.203 784 Q C 1.989 177.796 176.000 -0.323 0.000 0.976 784 Q CA 1.677 57.131 55.803 -0.583 0.000 0.858 784 Q CB -0.409 27.742 28.738 -0.978 0.000 0.907 784 Q HN 0.765 nan 8.270 nan 0.000 0.433 785 E N 0.188 120.258 120.200 -0.218 0.000 2.106 785 E HA -0.134 4.208 4.350 -0.012 0.000 0.192 785 E C 2.063 178.624 176.600 -0.064 0.000 0.984 785 E CA 0.558 56.892 56.400 -0.110 0.000 0.806 785 E CB -0.032 29.622 29.700 -0.076 0.000 0.750 785 E HN 0.274 nan 8.360 nan 0.000 0.458 786 R N 0.489 120.959 120.500 -0.051 0.000 2.115 786 R HA -0.082 4.251 4.340 -0.012 0.000 0.230 786 R C 2.389 178.713 176.300 0.039 0.000 1.111 786 R CA 0.852 56.993 56.100 0.067 0.000 0.976 786 R CB -0.302 30.110 30.300 0.186 0.000 0.870 786 R HN 0.070 nan 8.270 nan 0.000 0.445 787 V N 0.593 120.322 119.914 -0.307 0.000 2.270 787 V HA -0.231 3.881 4.120 -0.012 0.000 0.245 787 V C 2.209 178.295 176.094 -0.013 0.000 1.043 787 V CA 1.962 63.983 62.300 -0.465 0.000 1.014 787 V CB -0.387 31.032 31.823 -0.673 0.000 0.645 787 V HN 0.272 nan 8.190 nan 0.000 0.447 788 S N 0.132 115.792 115.700 -0.067 0.000 2.383 788 S HA -0.188 4.274 4.470 -0.012 0.000 0.229 788 S C 2.212 176.873 174.600 0.100 0.000 1.030 788 S CA 1.422 59.618 58.200 -0.008 0.000 1.002 788 S CB -0.525 62.642 63.200 -0.054 0.000 0.829 788 S HN 0.649 nan 8.310 nan 0.000 0.467 789 A N 1.459 124.341 122.820 0.104 0.000 1.883 789 A HA -0.041 4.271 4.320 -0.012 0.000 0.217 789 A C 2.111 179.813 177.584 0.196 0.000 1.186 789 A CA 1.190 53.309 52.037 0.136 0.000 0.624 789 A CB -0.776 18.294 19.000 0.116 0.000 0.822 789 A HN 0.460 nan 8.150 nan 0.000 0.444 790 L N -2.081 119.320 121.223 0.297 0.000 2.093 790 L HA -0.169 4.164 4.340 -0.012 0.000 0.208 790 L C 2.498 179.641 176.870 0.454 0.000 1.085 790 L CA 1.886 56.976 54.840 0.418 0.000 0.755 790 L CB -0.430 41.998 42.059 0.616 0.000 0.904 790 L HN 0.612 nan 8.230 nan 0.000 0.435 791 Y N 0.939 121.367 120.300 0.213 0.000 2.333 791 Y HA -0.259 4.284 4.550 -0.011 0.000 0.290 791 Y C 2.400 178.230 175.900 -0.116 0.000 1.144 791 Y CA 1.552 59.517 58.100 -0.226 0.000 1.228 791 Y CB -0.041 38.072 38.460 -0.579 0.000 0.985 791 Y HN 0.067 nan 8.280 nan 0.000 0.542 792 K N -0.137 120.310 120.400 0.079 0.000 2.360 792 K HA -0.142 4.171 4.320 -0.012 0.000 0.201 792 K C 0.390 176.980 176.600 -0.017 0.000 1.046 792 K CA 0.804 57.117 56.287 0.042 0.000 0.945 792 K CB -0.097 32.467 32.500 0.106 0.000 0.750 792 K HN 0.051 nan 8.250 nan 0.000 0.464 793 N N 0.463 119.170 118.700 0.012 0.000 2.936 793 N HA 0.134 4.866 4.740 -0.012 0.000 0.243 793 N C -2.428 173.089 175.510 0.010 0.000 1.149 793 N CA -2.181 50.881 53.050 0.020 0.000 0.914 793 N CB 1.156 39.686 38.487 0.071 0.000 1.179 793 N HN -0.180 nan 8.380 nan 0.000 0.502 794 P HA -0.157 nan 4.420 nan 0.000 0.216 794 P C 1.387 178.694 177.300 0.012 0.000 1.153 794 P CA 1.082 64.110 63.100 -0.121 0.000 0.858 794 P CB 0.420 32.023 31.700 -0.161 0.000 0.789 795 R N 0.021 120.530 120.500 0.016 0.000 2.075 795 R HA -0.138 4.195 4.340 -0.012 0.000 0.232 795 R C 1.953 178.293 176.300 0.067 0.000 1.126 795 R CA 1.354 57.475 56.100 0.034 0.000 0.963 795 R CB -0.349 29.962 30.300 0.019 0.000 0.858 795 R HN 0.065 nan 8.270 nan 0.000 0.435 796 E N 0.009 120.259 120.200 0.084 0.000 2.152 796 E HA -0.217 4.125 4.350 -0.012 0.000 0.192 796 E C 1.586 178.262 176.600 0.127 0.000 0.983 796 E CA 0.628 57.082 56.400 0.089 0.000 0.818 796 E CB -0.436 29.315 29.700 0.085 0.000 0.758 796 E HN 0.507 nan 8.360 nan 0.000 0.467 797 W N 2.174 123.471 121.300 -0.004 0.000 2.333 797 W HA -0.209 4.443 4.660 -0.014 0.000 0.316 797 W C 1.650 178.173 176.519 0.006 0.000 1.215 797 W CA 2.231 59.587 57.345 0.018 0.000 1.278 797 W CB -0.437 29.006 29.460 -0.030 0.000 1.154 797 W HN 0.043 nan 8.180 nan 0.000 0.486 798 T N 1.092 115.779 114.554 0.222 0.000 2.788 798 T HA -0.167 4.175 4.350 -0.012 0.000 0.268 798 T C 1.844 176.549 174.700 0.010 0.000 1.044 798 T CA 1.672 63.834 62.100 0.103 0.000 1.139 798 T CB -0.315 68.597 68.868 0.073 0.000 0.867 798 T HN 0.180 nan 8.240 nan 0.000 0.454 799 R N 0.440 120.952 120.500 0.020 0.000 2.096 799 R HA 0.090 4.422 4.340 -0.012 0.000 0.235 799 R C 2.515 178.801 176.300 -0.023 0.000 1.127 799 R CA 1.213 57.323 56.100 0.016 0.000 0.968 799 R CB -0.344 29.973 30.300 0.028 0.000 0.861 799 R HN 0.360 nan 8.270 nan 0.000 0.440 800 M N 0.494 120.044 119.600 -0.084 0.000 2.175 800 M HA -0.146 4.327 4.480 -0.012 0.000 0.264 800 M C 1.960 178.162 176.300 -0.164 0.000 1.063 800 M CA 1.381 56.592 55.300 -0.149 0.000 1.119 800 M CB 0.151 32.603 32.600 -0.247 0.000 1.377 800 M HN -0.012 nan 8.290 nan 0.000 0.415 801 V N 0.945 120.740 119.914 -0.199 0.000 2.287 801 V HA -0.326 3.787 4.120 -0.012 0.000 0.248 801 V C 2.206 178.277 176.094 -0.038 0.000 1.053 801 V CA 2.120 64.338 62.300 -0.136 0.000 1.027 801 V CB -0.637 31.127 31.823 -0.099 0.000 0.646 801 V HN 0.510 nan 8.190 nan 0.000 0.447 802 I N -0.552 120.017 120.570 -0.002 0.000 2.264 802 I HA -0.265 3.897 4.170 -0.012 0.000 0.248 802 I C 2.688 178.853 176.117 0.080 0.000 1.111 802 I CA 1.593 62.941 61.300 0.080 0.000 1.382 802 I CB -0.438 37.660 38.000 0.162 0.000 1.060 802 I HN 0.221 nan 8.210 nan 0.000 0.418 803 R N 0.461 120.985 120.500 0.040 0.000 2.120 803 R HA -0.124 4.208 4.340 -0.012 0.000 0.234 803 R C 2.023 178.351 176.300 0.047 0.000 1.123 803 R CA 1.220 57.341 56.100 0.036 0.000 0.975 803 R CB -0.453 29.852 30.300 0.009 0.000 0.866 803 R HN 0.540 nan 8.270 nan 0.000 0.446 804 N N 0.666 119.385 118.700 0.033 0.000 2.109 804 N HA -0.073 4.659 4.740 -0.012 0.000 0.188 804 N C 1.977 177.540 175.510 0.088 0.000 1.034 804 N CA 1.087 54.176 53.050 0.065 0.000 0.846 804 N CB -0.039 38.459 38.487 0.019 0.000 1.010 804 N HN 0.111 nan 8.380 nan 0.000 0.425 805 I N 1.702 122.314 120.570 0.070 0.000 2.194 805 I HA -0.258 3.905 4.170 -0.012 0.000 0.246 805 I C 2.444 178.609 176.117 0.081 0.000 1.093 805 I CA 1.027 62.374 61.300 0.078 0.000 1.355 805 I CB -0.327 37.714 38.000 0.068 0.000 1.046 805 I HN 0.101 nan 8.210 nan 0.000 0.413 806 A N 0.220 123.088 122.820 0.079 0.000 2.067 806 A HA -0.155 4.158 4.320 -0.012 0.000 0.219 806 A C 2.079 179.700 177.584 0.062 0.000 1.158 806 A CA 2.008 54.083 52.037 0.063 0.000 0.661 806 A CB -0.831 18.210 19.000 0.069 0.000 0.801 806 A HN 0.541 nan 8.150 nan 0.000 0.452 807 T N -3.046 111.559 114.554 0.085 0.000 3.174 807 T HA 0.184 4.527 4.350 -0.012 0.000 0.269 807 T C 1.133 175.928 174.700 0.159 0.000 1.017 807 T CA 0.627 62.783 62.100 0.093 0.000 0.899 807 T CB -0.185 68.737 68.868 0.090 0.000 1.077 807 T HN 0.474 nan 8.240 nan 0.000 0.552 808 S N 0.099 115.907 115.700 0.181 0.000 2.593 808 S HA 0.248 4.711 4.470 -0.012 0.000 0.217 808 S C 2.185 176.927 174.600 0.238 0.000 0.966 808 S CA 0.277 58.659 58.200 0.304 0.000 0.914 808 S CB -0.612 62.730 63.200 0.237 0.000 0.776 808 S HN 0.523 nan 8.310 nan 0.000 0.523 809 G N 2.659 111.514 108.800 0.093 0.000 2.469 809 G HA2 -0.277 3.676 3.960 -0.012 0.000 0.220 809 G HA3 -0.277 3.676 3.960 -0.012 0.000 0.220 809 G C 1.321 176.178 174.900 -0.072 0.000 1.136 809 G CA 0.997 46.116 45.100 0.031 0.000 0.759 809 G HN 0.604 nan 8.290 nan 0.000 0.562 810 K N -0.162 120.075 120.400 -0.272 0.000 2.218 810 K HA -0.076 4.237 4.320 -0.012 0.000 0.205 810 K C 1.278 177.564 176.600 -0.522 0.000 1.046 810 K CA 0.952 56.928 56.287 -0.518 0.000 0.933 810 K CB -0.276 31.707 32.500 -0.861 0.000 0.728 810 K HN 0.427 nan 8.250 nan 0.000 0.454 811 F N 0.692 120.670 119.950 0.048 0.000 2.645 811 F HA 0.153 4.672 4.527 -0.013 0.000 0.300 811 F C 0.767 176.610 175.800 0.072 0.000 1.115 811 F CA -0.636 57.398 58.000 0.057 0.000 1.355 811 F CB 0.474 39.504 39.000 0.050 0.000 1.026 811 F HN -0.130 nan 8.300 nan 0.000 0.536 812 S N 0.476 116.264 115.700 0.147 0.000 2.531 812 S HA 0.041 4.504 4.470 -0.012 0.000 0.279 812 S C 1.479 176.162 174.600 0.137 0.000 1.305 812 S CA -0.121 58.158 58.200 0.131 0.000 1.058 812 S CB 0.735 63.982 63.200 0.079 0.000 0.899 812 S HN 0.374 nan 8.310 nan 0.000 0.493 813 S N 3.361 119.166 115.700 0.176 0.000 2.507 813 S HA -0.088 4.375 4.470 -0.012 0.000 0.235 813 S C 0.969 175.633 174.600 0.107 0.000 0.988 813 S CA 0.774 59.103 58.200 0.215 0.000 0.944 813 S CB -0.347 63.051 63.200 0.329 0.000 0.762 813 S HN 0.792 nan 8.310 nan 0.000 0.526 814 D N 1.890 122.333 120.400 0.072 0.000 2.117 814 D HA -0.081 4.551 4.640 -0.012 0.000 0.197 814 D C 2.099 178.408 176.300 0.015 0.000 0.987 814 D CA 0.801 54.820 54.000 0.032 0.000 0.829 814 D CB -0.329 40.485 40.800 0.025 0.000 0.961 814 D HN 0.292 nan 8.370 nan 0.000 0.460 815 R N 0.760 121.270 120.500 0.018 0.000 2.066 815 R HA -0.082 4.251 4.340 -0.012 0.000 0.232 815 R C 1.897 178.193 176.300 -0.005 0.000 1.131 815 R CA 1.391 57.486 56.100 -0.007 0.000 0.955 815 R CB -0.770 29.512 30.300 -0.031 0.000 0.851 815 R HN 0.130 nan 8.270 nan 0.000 0.432 816 T N 2.143 116.720 114.554 0.038 0.000 2.684 816 T HA -0.124 4.218 4.350 -0.012 0.000 0.267 816 T C 1.918 176.633 174.700 0.025 0.000 1.036 816 T CA 1.357 63.502 62.100 0.076 0.000 1.148 816 T CB -0.110 68.893 68.868 0.224 0.000 0.863 816 T HN 0.105 nan 8.240 nan 0.000 0.436 817 I N 1.600 122.111 120.570 -0.100 0.000 2.315 817 I HA -0.055 4.108 4.170 -0.012 0.000 0.248 817 I C 2.925 178.998 176.117 -0.074 0.000 1.117 817 I CA 0.876 62.071 61.300 -0.175 0.000 1.404 817 I CB -1.609 36.283 38.000 -0.180 0.000 1.071 817 I HN 0.194 nan 8.210 nan 0.000 0.419 818 A N 0.257 123.054 122.820 -0.039 0.000 1.940 818 A HA -0.241 4.072 4.320 -0.012 0.000 0.219 818 A C 2.245 179.786 177.584 -0.072 0.000 1.176 818 A CA 1.469 53.489 52.037 -0.029 0.000 0.631 818 A CB -0.546 18.443 19.000 -0.018 0.000 0.814 818 A HN 0.515 nan 8.150 nan 0.000 0.446 819 Q N -1.792 117.947 119.800 -0.100 0.000 2.046 819 Q HA -0.170 4.162 4.340 -0.012 0.000 0.200 819 Q C 1.959 177.783 176.000 -0.293 0.000 0.975 819 Q CA 1.666 57.368 55.803 -0.168 0.000 0.836 819 Q CB -0.339 28.295 28.738 -0.174 0.000 0.896 819 Q HN 0.817 nan 8.270 nan 0.000 0.428 820 Y N 0.725 120.729 120.300 -0.493 0.000 2.081 820 Y HA -0.314 4.228 4.550 -0.013 0.000 0.280 820 Y C 2.531 177.854 175.900 -0.963 0.000 1.163 820 Y CA 1.332 58.875 58.100 -0.929 0.000 1.135 820 Y CB -0.506 37.063 38.460 -1.485 0.000 0.970 820 Y HN 0.169 nan 8.280 nan 0.000 0.498 821 A N 0.251 122.834 122.820 -0.395 0.000 1.883 821 A HA -0.247 4.065 4.320 -0.012 0.000 0.217 821 A C 2.223 179.819 177.584 0.020 0.000 1.186 821 A CA 2.197 54.259 52.037 0.041 0.000 0.624 821 A CB -0.585 18.513 19.000 0.162 0.000 0.822 821 A HN 0.457 nan 8.150 nan 0.000 0.444 822 R N -0.855 119.615 120.500 -0.051 0.000 2.100 822 R HA 0.003 4.335 4.340 -0.012 0.000 0.220 822 R C 1.749 178.023 176.300 -0.044 0.000 1.091 822 R CA 1.397 57.481 56.100 -0.027 0.000 0.986 822 R CB -0.125 30.155 30.300 -0.032 0.000 0.888 822 R HN 0.656 nan 8.270 nan 0.000 0.444 823 E N -0.536 119.596 120.200 -0.113 0.000 2.431 823 E HA 0.113 4.455 4.350 -0.012 0.000 0.200 823 E C 1.323 177.867 176.600 -0.093 0.000 0.995 823 E CA 0.367 56.705 56.400 -0.104 0.000 0.915 823 E CB 0.604 30.216 29.700 -0.147 0.000 0.930 823 E HN 0.282 nan 8.360 nan 0.000 0.496 824 I N -1.126 119.354 120.570 -0.149 0.000 3.739 824 I HA 0.031 4.193 4.170 -0.012 0.000 0.272 824 I C 1.279 177.534 176.117 0.230 0.000 1.167 824 I CA -0.063 61.208 61.300 -0.049 0.000 1.386 824 I CB 0.265 38.093 38.000 -0.286 0.000 1.490 824 I HN 0.106 nan 8.210 nan 0.000 0.452 825 W N 1.508 122.897 121.300 0.149 0.000 2.737 825 W HA 0.341 4.994 4.660 -0.012 0.000 0.262 825 W C 1.482 178.037 176.519 0.060 0.000 1.282 825 W CA 0.763 58.178 57.345 0.118 0.000 1.386 825 W CB -1.064 28.453 29.460 0.096 0.000 1.099 825 W HN 0.312 nan 8.180 nan 0.000 0.621 826 G N 1.252 110.190 108.800 0.231 0.000 2.256 826 G HA2 -0.109 3.844 3.960 -0.012 0.000 0.272 826 G HA3 -0.109 3.844 3.960 -0.012 0.000 0.272 826 G C -0.312 174.660 174.900 0.119 0.000 1.076 826 G CA 0.251 45.429 45.100 0.130 0.000 0.882 826 G HN 0.400 nan 8.290 nan 0.000 0.497 827 V N -4.246 115.757 119.914 0.150 0.000 2.962 827 V HA 0.907 5.020 4.120 -0.012 0.000 0.313 827 V C -0.367 175.785 176.094 0.096 0.000 1.099 827 V CA -1.696 60.673 62.300 0.115 0.000 0.971 827 V CB 2.351 34.249 31.823 0.125 0.000 1.028 827 V HN 0.123 nan 8.190 nan 0.000 0.430 828 E N 3.858 124.098 120.200 0.067 0.000 2.146 828 E HA 0.499 4.842 4.350 -0.012 0.000 0.282 828 E C -2.480 174.155 176.600 0.058 0.000 0.989 828 E CA -1.777 54.655 56.400 0.054 0.000 0.799 828 E CB 1.703 31.427 29.700 0.040 0.000 1.088 828 E HN 0.741 nan 8.360 nan 0.000 0.397 829 P HA 0.057 nan 4.420 nan 0.000 0.269 829 P C -0.459 176.869 177.300 0.047 0.000 1.215 829 P CA -0.229 62.904 63.100 0.054 0.000 0.780 829 P CB 0.854 32.581 31.700 0.046 0.000 0.898 830 S N 0.933 116.662 115.700 0.049 0.000 2.575 830 S HA 0.317 4.780 4.470 -0.012 0.000 0.278 830 S C 0.454 175.079 174.600 0.041 0.000 1.139 830 S CA -0.747 57.480 58.200 0.046 0.000 0.954 830 S CB 0.988 64.222 63.200 0.057 0.000 1.054 830 S HN 0.273 nan 8.310 nan 0.000 0.483 831 R N 2.316 122.836 120.500 0.033 0.000 2.334 831 R HA 0.182 4.514 4.340 -0.012 0.000 0.220 831 R C -0.008 176.304 176.300 0.019 0.000 0.917 831 R CA 0.085 56.202 56.100 0.030 0.000 1.073 831 R CB 0.083 30.401 30.300 0.030 0.000 1.056 831 R HN 0.693 nan 8.270 nan 0.000 0.506 832 Q N 0.895 120.706 119.800 0.018 0.000 2.364 832 Q HA 0.092 4.425 4.340 -0.012 0.000 0.267 832 Q C -0.231 175.761 176.000 -0.013 0.000 0.999 832 Q CA 0.173 55.979 55.803 0.005 0.000 0.886 832 Q CB 0.798 29.543 28.738 0.012 0.000 1.243 832 Q HN -0.191 nan 8.270 nan 0.000 0.415 833 R N 1.367 121.850 120.500 -0.028 0.000 2.594 833 R HA 0.218 4.550 4.340 -0.012 0.000 0.272 833 R C -0.500 175.756 176.300 -0.073 0.000 1.074 833 R CA 0.046 56.116 56.100 -0.050 0.000 1.105 833 R CB 0.385 30.655 30.300 -0.050 0.000 1.008 833 R HN 0.494 nan 8.270 nan 0.000 0.472 834 L N 5.160 126.322 121.223 -0.102 0.000 2.375 834 L HA 0.412 4.744 4.340 -0.012 0.000 0.271 834 L C -1.734 175.076 176.870 -0.099 0.000 1.107 834 L CA -2.130 52.622 54.840 -0.147 0.000 0.806 834 L CB 1.245 43.183 42.059 -0.201 0.000 1.146 834 L HN 0.472 nan 8.230 nan 0.000 0.447 835 P HA 0.062 nan 4.420 nan 0.000 0.268 835 P C -0.644 176.627 177.300 -0.048 0.000 1.204 835 P CA -0.209 62.857 63.100 -0.057 0.000 0.768 835 P CB 0.825 32.498 31.700 -0.045 0.000 0.842 836 A N 0.000 122.800 122.820 -0.034 0.000 2.254 836 A HA 0.000 4.313 4.320 -0.012 0.000 0.244 836 A CA 0.000 52.024 52.037 -0.021 0.000 0.836 836 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486