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 1j0z_1_C DATA FIRST_RESID 1 DATA SEQUENCE AVNGKGMNPD YKAYLMAPLK KIPEVTNWET FENDLRWAKQ NGFYAITVDF DATA SEQUENCE WWGDMEKNGD QQFDFSYAQR FAQSVKNAGM KMIPIISTHQ cGGNVGDDcN DATA SEQUENCE VPIPSWVWNQ KSDDSLYFKS ETGTVNKETL NPLASDVIRK EYGELYTAFA DATA SEQUENCE AAMKPYKDVI AKIYLSGGPA GELRYPSYTT SDGTGYPSRG KFQAYTEFAK DATA SEQUENCE SKFRLWVLNK YGSLNEVNKA WGTKLISELA ILPPSDGEQF LMNGYLSMYG DATA SEQUENCE KDYLEWYQGI LENHTKLIGE LAHNAFDTTF QVPIGAKIAG VHWQYNNPTI DATA SEQUENCE PHGAEKPAGY NDYSHLLDAF KSAKLDVTFT CLEMTDKGSY PEYSMPKTLV DATA SEQUENCE QNIATLANEK GIVLNGENAL SIGNEEEYKR VAEMAFNYNF AGFTLLRYQD DATA SEQUENCE VMYNNSLMGK FKDLLGVTPV MQTIVVKNVP TTIGDTVYIT GNRAELGSWD DATA SEQUENCE TKQYPIQLYY DSHSNDWRGN VVLPAERNIE FKAFIKSKDG TVKSWQTIQQ DATA SEQUENCE SWNPVPLKTT SHTSSW 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.580 177.584 -0.007 0.000 1.274 1 A CA 0.000 51.975 52.037 -0.103 0.000 0.836 1 A CB 0.000 18.942 19.000 -0.096 0.000 0.831 2 V N 1.751 121.609 119.914 -0.094 0.000 2.788 2 V HA 0.281 4.401 4.120 -0.001 0.000 0.307 2 V C 0.596 176.709 176.094 0.031 0.000 1.069 2 V CA 1.336 63.630 62.300 -0.010 0.000 1.173 2 V CB -0.119 31.617 31.823 -0.144 0.000 0.925 2 V HN 1.260 nan 8.190 nan 0.000 0.492 3 N N 4.177 122.920 118.700 0.071 0.000 2.754 3 N HA -0.188 4.552 4.740 -0.001 0.000 0.248 3 N C 0.927 176.505 175.510 0.114 0.000 1.093 3 N CA 1.581 54.684 53.050 0.089 0.000 0.699 3 N CB -1.576 36.952 38.487 0.068 0.000 1.016 3 N HN 1.743 nan 8.380 nan 0.000 0.552 4 G N -0.945 107.943 108.800 0.148 0.000 2.189 4 G HA2 -0.413 3.547 3.960 -0.001 0.000 0.267 4 G HA3 -0.413 3.547 3.960 -0.001 0.000 0.267 4 G C 0.274 175.226 174.900 0.086 0.000 0.975 4 G CA 1.452 46.645 45.100 0.155 0.000 0.644 4 G HN 0.891 nan 8.290 nan 0.000 0.537 5 K N 0.048 120.488 120.400 0.067 0.000 2.179 5 K HA 0.727 5.046 4.320 -0.001 0.000 0.238 5 K C 0.950 177.559 176.600 0.014 0.000 1.033 5 K CA -0.303 56.009 56.287 0.042 0.000 0.926 5 K CB 0.989 33.509 32.500 0.034 0.000 1.151 5 K HN 0.448 nan 8.250 nan 0.000 0.492 6 G N -0.058 108.742 108.800 -0.000 0.000 2.971 6 G HA2 0.399 4.359 3.960 -0.001 0.000 0.235 6 G HA3 0.399 4.359 3.960 -0.001 0.000 0.235 6 G C -0.283 174.602 174.900 -0.026 0.000 1.351 6 G CA -1.225 43.857 45.100 -0.030 0.000 1.039 6 G HN 0.796 nan 8.290 nan 0.000 0.563 7 M N -0.051 119.520 119.600 -0.047 0.000 2.228 7 M HA 0.331 4.811 4.480 -0.001 0.000 0.326 7 M C 0.107 176.428 176.300 0.036 0.000 1.122 7 M CA -0.653 54.647 55.300 0.000 0.000 1.161 7 M CB 0.521 33.071 32.600 -0.084 0.000 1.437 7 M HN 0.368 nan 8.290 nan 0.000 0.465 8 N N 3.286 122.049 118.700 0.105 0.000 2.440 8 N HA 0.101 4.841 4.740 -0.001 0.000 0.265 8 N C -1.763 173.812 175.510 0.110 0.000 1.239 8 N CA -1.363 51.756 53.050 0.115 0.000 0.909 8 N CB 0.731 39.322 38.487 0.173 0.000 1.066 8 N HN 0.519 nan 8.380 nan 0.000 0.474 9 P HA -0.062 nan 4.420 nan 0.000 0.225 9 P C -0.151 177.174 177.300 0.042 0.000 1.148 9 P CA 0.999 64.120 63.100 0.035 0.000 0.779 9 P CB 0.466 32.174 31.700 0.013 0.000 0.780 10 D N -1.707 118.728 120.400 0.058 0.000 2.340 10 D HA -0.008 4.631 4.640 -0.001 0.000 0.217 10 D C 0.539 176.851 176.300 0.020 0.000 1.081 10 D CA -0.366 53.646 54.000 0.020 0.000 0.842 10 D CB -0.582 40.227 40.800 0.016 0.000 0.934 10 D HN 0.223 nan 8.370 nan 0.000 0.511 11 Y N 2.460 122.755 120.300 -0.008 0.000 2.717 11 Y HA -0.011 4.539 4.550 -0.001 0.000 0.330 11 Y C 0.011 175.858 175.900 -0.089 0.000 1.217 11 Y CA 0.413 58.516 58.100 0.005 0.000 1.506 11 Y CB 0.276 38.797 38.460 0.103 0.000 1.268 11 Y HN -0.309 nan 8.280 nan 0.000 0.561 12 K N 4.384 124.136 120.400 -1.081 0.000 2.527 12 K HA 0.757 5.077 4.320 -0.001 0.000 0.260 12 K C -1.483 174.336 176.600 -1.301 0.000 0.937 12 K CA -1.011 54.688 56.287 -0.981 0.000 0.826 12 K CB 1.949 34.010 32.500 -0.731 0.000 1.359 12 K HN 0.651 nan 8.250 nan 0.000 0.434 13 A N 2.068 124.412 122.820 -0.794 0.000 2.312 13 A HA 0.726 5.046 4.320 -0.001 0.000 0.326 13 A C -1.397 176.025 177.584 -0.269 0.000 1.172 13 A CA -0.360 51.410 52.037 -0.445 0.000 0.821 13 A CB 0.283 19.242 19.000 -0.067 0.000 1.166 13 A HN 0.644 nan 8.150 nan 0.000 0.493 14 Y N 0.287 120.762 120.300 0.292 0.000 2.576 14 Y HA 0.624 5.174 4.550 -0.001 0.000 0.346 14 Y C -0.469 175.592 175.900 0.267 0.000 1.018 14 Y CA -1.118 57.155 58.100 0.289 0.000 1.050 14 Y CB 2.109 40.652 38.460 0.138 0.000 1.280 14 Y HN 0.599 nan 8.280 nan 0.000 0.474 15 L N 2.726 124.075 121.223 0.210 0.000 2.341 15 L HA 0.538 4.878 4.340 -0.001 0.000 0.278 15 L C -0.972 175.887 176.870 -0.019 0.000 1.005 15 L CA -0.813 53.937 54.840 -0.150 0.000 0.818 15 L CB 1.551 43.157 42.059 -0.755 0.000 1.259 15 L HN 0.674 nan 8.230 nan 0.000 0.418 16 M N 4.236 123.823 119.600 -0.021 0.000 2.188 16 M HA 0.417 4.897 4.480 -0.001 0.000 0.354 16 M C 0.385 176.718 176.300 0.055 0.000 1.342 16 M CA -0.209 55.092 55.300 0.002 0.000 1.117 16 M CB 1.157 33.747 32.600 -0.016 0.000 1.670 16 M HN 0.853 nan 8.290 nan 0.000 0.466 17 A N 6.260 129.095 122.820 0.025 0.000 2.313 17 A HA 0.578 4.898 4.320 -0.001 0.000 0.261 17 A C -2.447 175.094 177.584 -0.073 0.000 1.090 17 A CA -1.310 50.716 52.037 -0.018 0.000 0.807 17 A CB -0.401 18.603 19.000 0.008 0.000 1.055 17 A HN 0.472 nan 8.150 nan 0.000 0.492 18 P HA 0.022 nan 4.420 nan 0.000 0.270 18 P C 0.610 177.902 177.300 -0.013 0.000 1.221 18 P CA -0.263 62.785 63.100 -0.087 0.000 0.788 18 P CB 0.336 31.934 31.700 -0.170 0.000 0.904 19 L N 0.344 121.594 121.223 0.045 0.000 2.209 19 L HA 0.051 4.391 4.340 -0.001 0.000 0.207 19 L C 0.985 177.940 176.870 0.141 0.000 1.094 19 L CA 1.684 56.608 54.840 0.141 0.000 0.790 19 L CB -0.796 41.332 42.059 0.115 0.000 0.932 19 L HN 0.283 nan 8.230 nan 0.000 0.447 20 K N 0.077 120.495 120.400 0.030 0.000 2.087 20 K HA 0.213 4.533 4.320 -0.001 0.000 0.255 20 K C 0.061 176.631 176.600 -0.050 0.000 0.988 20 K CA -0.746 55.529 56.287 -0.020 0.000 0.915 20 K CB 0.922 33.387 32.500 -0.057 0.000 1.043 20 K HN -0.081 nan 8.250 nan 0.000 0.457 21 K N 1.727 122.055 120.400 -0.120 0.000 2.485 21 K HA -0.029 4.291 4.320 -0.001 0.000 0.277 21 K C 1.348 177.846 176.600 -0.170 0.000 0.990 21 K CA -0.313 55.860 56.287 -0.190 0.000 0.994 21 K CB 0.301 32.531 32.500 -0.449 0.000 0.906 21 K HN 0.411 nan 8.250 nan 0.000 0.488 22 I N 4.779 125.235 120.570 -0.189 0.000 2.145 22 I HA -0.233 3.936 4.170 -0.001 0.000 0.244 22 I C -0.593 175.188 176.117 -0.561 0.000 1.075 22 I CA 1.654 62.623 61.300 -0.551 0.000 1.332 22 I CB -2.004 35.312 38.000 -1.139 0.000 1.033 22 I HN 0.624 nan 8.210 nan 0.000 0.410 23 P HA -0.165 nan 4.420 nan 0.000 0.222 23 P C 0.725 177.894 177.300 -0.219 0.000 1.147 23 P CA 1.347 64.189 63.100 -0.430 0.000 0.790 23 P CB -0.294 31.242 31.700 -0.274 0.000 0.780 24 E N -0.786 119.304 120.200 -0.183 0.000 2.423 24 E HA 0.235 4.584 4.350 -0.001 0.000 0.198 24 E C 0.702 177.241 176.600 -0.101 0.000 1.038 24 E CA -0.255 56.074 56.400 -0.118 0.000 1.011 24 E CB 0.163 29.802 29.700 -0.102 0.000 1.118 24 E HN 0.005 nan 8.360 nan 0.000 0.451 25 V N -0.969 118.875 119.914 -0.117 0.000 3.119 25 V HA 0.118 4.238 4.120 -0.001 0.000 0.245 25 V C 0.376 176.449 176.094 -0.036 0.000 1.598 25 V CA 0.915 63.178 62.300 -0.063 0.000 1.116 25 V CB 1.483 33.266 31.823 -0.066 0.000 0.981 25 V HN 0.430 nan 8.190 nan 0.000 0.430 26 T N 0.271 114.771 114.554 -0.091 0.000 2.646 26 T HA 0.378 4.727 4.350 -0.001 0.000 0.297 26 T C -1.967 172.656 174.700 -0.129 0.000 1.363 26 T CA 0.226 62.299 62.100 -0.044 0.000 1.056 26 T CB 1.385 70.298 68.868 0.076 0.000 1.779 26 T HN 0.496 nan 8.240 nan 0.000 0.459 27 N N -0.874 117.784 118.700 -0.071 0.000 2.265 27 N HA 0.425 5.165 4.740 -0.001 0.000 0.300 27 N C 0.321 175.834 175.510 0.005 0.000 1.148 27 N CA -0.927 52.065 53.050 -0.098 0.000 0.772 27 N CB 0.635 39.131 38.487 0.016 0.000 1.434 27 N HN 0.769 nan 8.380 nan 0.000 0.481 28 W N 0.100 121.468 121.300 0.115 0.000 2.325 28 W HA -0.143 4.517 4.660 -0.000 0.000 0.299 28 W C 1.529 178.150 176.519 0.170 0.000 1.215 28 W CA 0.845 58.285 57.345 0.158 0.000 1.244 28 W CB -0.111 29.411 29.460 0.104 0.000 1.140 28 W HN 0.668 nan 8.180 nan 0.000 0.523 29 E N -0.490 119.907 120.200 0.328 0.000 2.031 29 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 29 E C 2.012 178.723 176.600 0.184 0.000 0.994 29 E CA 1.959 58.484 56.400 0.209 0.000 0.800 29 E CB -0.724 29.063 29.700 0.146 0.000 0.752 29 E HN 0.153 nan 8.360 nan 0.000 0.447 30 T N 1.283 115.946 114.554 0.182 0.000 2.746 30 T HA -0.173 4.177 4.350 -0.001 0.000 0.267 30 T C 1.514 176.359 174.700 0.242 0.000 1.039 30 T CA 1.064 63.268 62.100 0.174 0.000 1.142 30 T CB -0.399 68.564 68.868 0.159 0.000 0.866 30 T HN 0.133 nan 8.240 nan 0.000 0.444 31 F N 2.271 122.298 119.950 0.128 0.000 2.095 31 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 31 F C 2.167 178.049 175.800 0.136 0.000 1.104 31 F CA 1.363 59.448 58.000 0.142 0.000 1.232 31 F CB -0.495 38.559 39.000 0.090 0.000 0.987 31 F HN 0.218 nan 8.300 nan 0.000 0.475 32 E N -0.084 120.112 120.200 -0.006 0.000 2.077 32 E HA -0.237 4.112 4.350 -0.001 0.000 0.193 32 E C 1.895 178.448 176.600 -0.077 0.000 0.989 32 E CA 1.568 57.889 56.400 -0.132 0.000 0.800 32 E CB -0.403 29.298 29.700 0.002 0.000 0.746 32 E HN 0.611 nan 8.360 nan 0.000 0.452 33 N N 0.657 119.366 118.700 0.016 0.000 2.188 33 N HA -0.139 4.600 4.740 -0.001 0.000 0.184 33 N C 1.356 176.909 175.510 0.072 0.000 1.018 33 N CA 1.033 54.109 53.050 0.044 0.000 0.858 33 N CB 0.065 38.584 38.487 0.054 0.000 0.989 33 N HN 0.065 nan 8.380 nan 0.000 0.426 34 D N 0.945 121.388 120.400 0.073 0.000 2.117 34 D HA -0.104 4.535 4.640 -0.001 0.000 0.197 34 D C 1.955 178.266 176.300 0.018 0.000 0.987 34 D CA 0.764 54.824 54.000 0.098 0.000 0.829 34 D CB -0.254 40.645 40.800 0.165 0.000 0.961 34 D HN 0.270 nan 8.370 nan 0.000 0.460 35 L N 0.243 121.389 121.223 -0.128 0.000 2.093 35 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 35 L C 2.539 179.375 176.870 -0.055 0.000 1.085 35 L CA 0.952 55.688 54.840 -0.173 0.000 0.755 35 L CB -0.213 41.626 42.059 -0.366 0.000 0.904 35 L HN -0.044 nan 8.230 nan 0.000 0.435 36 R N -0.817 119.683 120.500 -0.001 0.000 2.092 36 R HA -0.198 4.142 4.340 -0.001 0.000 0.231 36 R C 2.182 178.571 176.300 0.149 0.000 1.119 36 R CA 1.619 57.753 56.100 0.057 0.000 0.970 36 R CB -0.441 29.897 30.300 0.063 0.000 0.864 36 R HN 0.536 nan 8.270 nan 0.000 0.440 37 W N 1.449 122.732 121.300 -0.027 0.000 2.358 37 W HA -0.198 4.462 4.660 -0.001 0.000 0.303 37 W C 1.881 178.416 176.519 0.027 0.000 1.208 37 W CA 1.246 58.589 57.345 -0.004 0.000 1.274 37 W CB -0.069 29.378 29.460 -0.023 0.000 1.138 37 W HN 0.143 nan 8.180 nan 0.000 0.515 38 A N 0.850 123.624 122.820 -0.076 0.000 1.902 38 A HA -0.258 4.062 4.320 -0.001 0.000 0.217 38 A C 1.974 179.598 177.584 0.066 0.000 1.181 38 A CA 2.022 53.994 52.037 -0.109 0.000 0.623 38 A CB -1.014 17.856 19.000 -0.217 0.000 0.818 38 A HN 0.370 nan 8.150 nan 0.000 0.443 39 K N -0.412 120.010 120.400 0.036 0.000 2.103 39 K HA -0.201 4.119 4.320 -0.001 0.000 0.207 39 K C 2.135 178.745 176.600 0.017 0.000 1.048 39 K CA 1.682 58.002 56.287 0.055 0.000 0.930 39 K CB -0.180 32.337 32.500 0.028 0.000 0.716 39 K HN 0.638 nan 8.250 nan 0.000 0.444 40 Q N -0.219 119.559 119.800 -0.037 0.000 2.291 40 Q HA -0.050 4.290 4.340 -0.001 0.000 0.205 40 Q C 0.837 176.737 176.000 -0.168 0.000 0.970 40 Q CA 0.731 56.487 55.803 -0.077 0.000 0.876 40 Q CB 0.131 28.843 28.738 -0.044 0.000 0.935 40 Q HN 0.347 nan 8.270 nan 0.000 0.455 41 N N -0.851 117.717 118.700 -0.220 0.000 2.268 41 N HA 0.062 4.801 4.740 -0.001 0.000 0.204 41 N C 0.537 175.959 175.510 -0.146 0.000 1.124 41 N CA 0.795 53.719 53.050 -0.210 0.000 0.838 41 N CB 1.476 39.790 38.487 -0.287 0.000 0.994 41 N HN 0.352 nan 8.380 nan 0.000 0.489 42 G N 0.592 109.335 108.800 -0.095 0.000 2.176 42 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.232 42 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.232 42 G C -0.175 174.665 174.900 -0.100 0.000 0.986 42 G CA -0.536 44.501 45.100 -0.105 0.000 0.643 42 G HN 0.211 nan 8.290 nan 0.000 0.522 43 F N 0.279 120.271 119.950 0.069 0.000 2.427 43 F HA 0.574 5.101 4.527 -0.001 0.000 0.352 43 F C 1.317 177.191 175.800 0.123 0.000 1.100 43 F CA -0.363 57.685 58.000 0.080 0.000 1.191 43 F CB 0.818 39.814 39.000 -0.008 0.000 1.128 43 F HN 0.090 nan 8.300 nan 0.000 0.533 44 Y N 2.774 123.205 120.300 0.217 0.000 2.301 44 Y HA 0.500 5.049 4.550 -0.001 0.000 0.295 44 Y C 0.750 176.794 175.900 0.240 0.000 1.126 44 Y CA 0.815 59.024 58.100 0.182 0.000 1.154 44 Y CB 0.075 38.619 38.460 0.140 0.000 1.075 44 Y HN 0.501 nan 8.280 nan 0.000 0.534 45 A N 0.002 123.085 122.820 0.439 0.000 2.530 45 A HA 0.607 4.927 4.320 -0.001 0.000 0.288 45 A C -1.827 175.899 177.584 0.237 0.000 1.172 45 A CA -0.678 51.491 52.037 0.221 0.000 0.733 45 A CB 0.967 20.071 19.000 0.173 0.000 1.320 45 A HN 0.221 nan 8.150 nan 0.000 0.419 46 I N 1.398 122.050 120.570 0.136 0.000 2.439 46 I HA 0.479 4.649 4.170 -0.001 0.000 0.285 46 I C 0.168 176.336 176.117 0.084 0.000 1.021 46 I CA -0.235 61.149 61.300 0.140 0.000 1.091 46 I CB 1.736 39.865 38.000 0.214 0.000 1.242 46 I HN 0.850 nan 8.210 nan 0.000 0.439 47 T N 4.427 118.997 114.554 0.027 0.000 2.910 47 T HA 0.576 4.925 4.350 -0.001 0.000 0.293 47 T C -0.555 174.050 174.700 -0.159 0.000 1.015 47 T CA -0.525 61.538 62.100 -0.063 0.000 1.094 47 T CB 1.722 70.574 68.868 -0.028 0.000 0.968 47 T HN 0.464 nan 8.240 nan 0.000 0.521 48 V N 1.896 121.592 119.914 -0.365 0.000 2.932 48 V HA 0.365 4.485 4.120 -0.001 0.000 0.307 48 V C -1.524 174.039 176.094 -0.885 0.000 1.147 48 V CA -0.955 60.964 62.300 -0.636 0.000 0.951 48 V CB 2.238 33.456 31.823 -1.008 0.000 1.031 48 V HN 1.091 nan 8.190 nan 0.000 0.426 49 D N 5.527 125.427 120.400 -0.834 0.000 2.312 49 D HA 0.319 4.959 4.640 -0.001 0.000 0.252 49 D C -1.002 174.583 176.300 -1.191 0.000 1.150 49 D CA 0.472 53.831 54.000 -1.068 0.000 0.870 49 D CB 1.220 41.195 40.800 -1.375 0.000 1.153 49 D HN 0.451 nan 8.370 nan 0.000 0.457 50 F N 1.884 121.396 119.950 -0.731 0.000 2.366 50 F HA 0.242 4.769 4.527 -0.001 0.000 0.366 50 F C -0.076 175.474 175.800 -0.416 0.000 1.096 50 F CA -1.257 56.499 58.000 -0.408 0.000 1.060 50 F CB 0.725 39.614 39.000 -0.185 0.000 1.282 50 F HN 0.236 nan 8.300 nan 0.000 0.450 51 W N 3.635 125.025 121.300 0.151 0.000 2.251 51 W HA -0.003 4.657 4.660 -0.000 0.000 0.327 51 W C 0.933 177.570 176.519 0.197 0.000 1.361 51 W CA -0.599 56.792 57.345 0.076 0.000 1.234 51 W CB 0.375 29.838 29.460 0.005 0.000 1.212 51 W HN 0.643 nan 8.180 nan 0.000 0.557 52 W N 2.948 124.357 121.300 0.182 0.000 2.350 52 W HA -0.121 4.539 4.660 -0.001 0.000 0.289 52 W C 1.852 178.452 176.519 0.135 0.000 1.215 52 W CA 1.827 59.248 57.345 0.126 0.000 1.236 52 W CB -0.894 28.590 29.460 0.039 0.000 1.130 52 W HN 0.477 nan 8.180 nan 0.000 0.541 53 G N -0.223 108.717 108.800 0.233 0.000 2.470 53 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.220 53 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.220 53 G C 1.223 176.176 174.900 0.087 0.000 1.121 53 G CA 1.312 46.432 45.100 0.033 0.000 0.766 53 G HN 0.227 nan 8.290 nan 0.000 0.553 54 D N 0.085 120.605 120.400 0.201 0.000 2.269 54 D HA 0.061 4.700 4.640 -0.001 0.000 0.220 54 D C 2.721 179.117 176.300 0.160 0.000 0.962 54 D CA 0.343 54.443 54.000 0.167 0.000 0.884 54 D CB -0.223 40.709 40.800 0.219 0.000 1.023 54 D HN 0.250 nan 8.370 nan 0.000 0.484 55 M N 0.124 119.858 119.600 0.224 0.000 2.213 55 M HA -0.097 4.383 4.480 -0.001 0.000 0.263 55 M C 1.023 177.437 176.300 0.190 0.000 1.062 55 M CA 1.247 56.632 55.300 0.141 0.000 1.105 55 M CB 0.075 32.808 32.600 0.221 0.000 1.385 55 M HN -0.111 nan 8.290 nan 0.000 0.417 56 E N 0.247 120.635 120.200 0.314 0.000 4.017 56 E HA 0.061 4.411 4.350 -0.001 0.000 0.205 56 E C 0.814 177.577 176.600 0.271 0.000 1.054 56 E CA -0.120 56.456 56.400 0.293 0.000 1.398 56 E CB 0.536 30.599 29.700 0.605 0.000 1.164 56 E HN 0.209 nan 8.360 nan 0.000 0.445 57 K N 0.520 121.010 120.400 0.151 0.000 1.973 57 K HA -0.156 4.164 4.320 -0.001 0.000 0.212 57 K C 1.167 177.879 176.600 0.187 0.000 1.047 57 K CA 2.070 58.434 56.287 0.129 0.000 0.937 57 K CB 0.062 32.597 32.500 0.060 0.000 0.721 57 K HN 0.117 nan 8.250 nan 0.000 0.440 58 N N -0.450 118.283 118.700 0.056 0.000 2.289 58 N HA -0.005 4.735 4.740 -0.001 0.000 0.184 58 N C 0.331 175.735 175.510 -0.177 0.000 1.016 58 N CA 1.116 54.152 53.050 -0.023 0.000 0.872 58 N CB 0.448 38.898 38.487 -0.062 0.000 0.973 58 N HN 0.435 nan 8.380 nan 0.000 0.433 59 G N -1.146 107.375 108.800 -0.463 0.000 2.313 59 G HA2 0.055 4.015 3.960 -0.001 0.000 0.296 59 G HA3 0.055 4.015 3.960 -0.001 0.000 0.296 59 G C -2.004 172.006 174.900 -1.484 0.000 1.356 59 G CA -0.934 43.461 45.100 -1.175 0.000 0.833 59 G HN -0.042 nan 8.290 nan 0.000 0.552 60 D N 0.683 120.059 120.400 -1.706 0.000 2.450 60 D HA 0.358 4.997 4.640 -0.001 0.000 0.247 60 D C 1.022 176.913 176.300 -0.681 0.000 1.162 60 D CA 0.973 54.234 54.000 -1.230 0.000 0.879 60 D CB 0.529 40.855 40.800 -0.790 0.000 1.163 60 D HN 0.466 nan 8.370 nan 0.000 0.472 61 Q N 1.379 120.782 119.800 -0.663 0.000 2.416 61 Q HA -0.261 4.078 4.340 -0.001 0.000 0.235 61 Q C -0.535 174.984 176.000 -0.802 0.000 0.773 61 Q CA 0.913 56.252 55.803 -0.774 0.000 1.286 61 Q CB -1.807 26.761 28.738 -0.284 0.000 1.556 61 Q HN 0.752 nan 8.270 nan 0.000 0.650 62 Q N 0.230 119.604 119.800 -0.709 0.000 2.810 62 Q HA 0.417 4.757 4.340 -0.001 0.000 0.236 62 Q C -0.262 175.522 176.000 -0.359 0.000 1.278 62 Q CA -0.177 55.381 55.803 -0.408 0.000 1.065 62 Q CB 0.053 28.608 28.738 -0.304 0.000 1.364 62 Q HN 0.148 nan 8.270 nan 0.000 0.570 63 F N 0.612 120.524 119.950 -0.065 0.000 2.378 63 F HA 0.234 4.761 4.527 -0.001 0.000 0.319 63 F C 0.713 176.352 175.800 -0.269 0.000 1.155 63 F CA -0.458 57.410 58.000 -0.220 0.000 1.157 63 F CB 0.817 39.656 39.000 -0.268 0.000 1.252 63 F HN 0.238 nan 8.300 nan 0.000 0.550 64 D N 0.910 121.158 120.400 -0.254 0.000 2.319 64 D HA 0.232 4.871 4.640 -0.001 0.000 0.237 64 D C -0.797 175.346 176.300 -0.261 0.000 1.353 64 D CA -0.315 53.595 54.000 -0.150 0.000 0.992 64 D CB 0.108 40.897 40.800 -0.017 0.000 1.368 64 D HN 0.335 nan 8.370 nan 0.000 0.564 65 F N 1.260 121.290 119.950 0.133 0.000 2.639 65 F HA 0.093 4.620 4.527 -0.001 0.000 0.302 65 F C 2.337 178.137 175.800 -0.000 0.000 1.097 65 F CA -0.175 57.849 58.000 0.041 0.000 1.294 65 F CB 0.485 39.460 39.000 -0.043 0.000 1.027 65 F HN 0.275 nan 8.300 nan 0.000 0.550 66 S N -0.085 115.725 115.700 0.182 0.000 2.374 66 S HA -0.343 4.127 4.470 -0.001 0.000 0.227 66 S C 1.943 176.625 174.600 0.137 0.000 1.037 66 S CA 1.446 59.728 58.200 0.137 0.000 1.024 66 S CB -1.023 62.259 63.200 0.138 0.000 0.861 66 S HN 0.536 nan 8.310 nan 0.000 0.456 67 Y N 2.871 123.239 120.300 0.114 0.000 2.200 67 Y HA 0.104 4.654 4.550 -0.001 0.000 0.290 67 Y C 2.644 178.640 175.900 0.159 0.000 1.137 67 Y CA 0.680 58.897 58.100 0.194 0.000 1.163 67 Y CB -1.036 37.577 38.460 0.255 0.000 0.988 67 Y HN 0.313 nan 8.280 nan 0.000 0.518 68 A N 0.173 122.910 122.820 -0.138 0.000 1.902 68 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 68 A C 2.114 179.434 177.584 -0.441 0.000 1.181 68 A CA 2.035 53.712 52.037 -0.599 0.000 0.623 68 A CB -0.698 17.820 19.000 -0.804 0.000 0.818 68 A HN 0.670 nan 8.150 nan 0.000 0.443 69 Q N -1.460 118.124 119.800 -0.360 0.000 2.083 69 Q HA -0.142 4.197 4.340 -0.001 0.000 0.198 69 Q C 2.346 178.067 176.000 -0.464 0.000 0.969 69 Q CA 1.391 56.875 55.803 -0.532 0.000 0.838 69 Q CB -0.142 28.449 28.738 -0.244 0.000 0.900 69 Q HN 0.539 nan 8.270 nan 0.000 0.436 70 R N 0.642 120.955 120.500 -0.311 0.000 2.096 70 R HA -0.136 4.204 4.340 -0.001 0.000 0.235 70 R C 1.711 177.646 176.300 -0.608 0.000 1.127 70 R CA 1.314 57.152 56.100 -0.438 0.000 0.968 70 R CB -0.668 29.413 30.300 -0.366 0.000 0.861 70 R HN 0.271 nan 8.270 nan 0.000 0.440 71 F N 0.342 119.962 119.950 -0.550 0.000 2.102 71 F HA -0.067 4.460 4.527 -0.001 0.000 0.298 71 F C 2.045 177.764 175.800 -0.135 0.000 1.105 71 F CA 1.714 59.558 58.000 -0.261 0.000 1.239 71 F CB -0.508 38.407 39.000 -0.141 0.000 0.991 71 F HN 0.143 nan 8.300 nan 0.000 0.474 72 A N -0.277 122.567 122.820 0.039 0.000 1.940 72 A HA -0.283 4.037 4.320 -0.001 0.000 0.219 72 A C 2.024 179.534 177.584 -0.124 0.000 1.176 72 A CA 1.874 53.867 52.037 -0.074 0.000 0.631 72 A CB -0.970 17.744 19.000 -0.477 0.000 0.814 72 A HN 0.541 nan 8.150 nan 0.000 0.446 73 Q N 0.233 119.896 119.800 -0.228 0.000 2.030 73 Q HA -0.126 4.213 4.340 -0.001 0.000 0.204 73 Q C 2.317 178.254 176.000 -0.105 0.000 0.986 73 Q CA 2.405 58.147 55.803 -0.102 0.000 0.843 73 Q CB -0.592 28.053 28.738 -0.155 0.000 0.904 73 Q HN 0.552 nan 8.270 nan 0.000 0.420 74 S N -0.870 114.718 115.700 -0.187 0.000 2.370 74 S HA -0.131 4.338 4.470 -0.001 0.000 0.226 74 S C 1.927 176.472 174.600 -0.092 0.000 1.033 74 S CA 1.177 59.323 58.200 -0.091 0.000 1.011 74 S CB -0.414 62.834 63.200 0.080 0.000 0.852 74 S HN 0.260 nan 8.310 nan 0.000 0.457 75 V N 1.870 121.724 119.914 -0.101 0.000 2.332 75 V HA -0.226 3.894 4.120 -0.001 0.000 0.248 75 V C 2.380 178.444 176.094 -0.050 0.000 1.055 75 V CA 2.090 64.336 62.300 -0.090 0.000 1.038 75 V CB -0.513 31.325 31.823 0.024 0.000 0.651 75 V HN 0.464 nan 8.190 nan 0.000 0.450 76 K N 0.429 120.824 120.400 -0.009 0.000 2.097 76 K HA -0.163 4.156 4.320 -0.001 0.000 0.205 76 K C 1.796 178.389 176.600 -0.012 0.000 1.050 76 K CA 1.981 58.274 56.287 0.010 0.000 0.938 76 K CB -0.309 32.227 32.500 0.060 0.000 0.718 76 K HN 0.609 nan 8.250 nan 0.000 0.442 77 N N -0.215 118.471 118.700 -0.024 0.000 2.289 77 N HA -0.120 4.619 4.740 -0.001 0.000 0.184 77 N C 1.221 176.712 175.510 -0.032 0.000 1.016 77 N CA 0.736 53.772 53.050 -0.023 0.000 0.872 77 N CB -0.017 38.456 38.487 -0.023 0.000 0.973 77 N HN 0.254 nan 8.380 nan 0.000 0.433 78 A N 0.230 123.015 122.820 -0.058 0.000 2.275 78 A HA 0.382 4.701 4.320 -0.001 0.000 0.212 78 A C 1.513 179.067 177.584 -0.051 0.000 1.201 78 A CA 0.479 52.475 52.037 -0.068 0.000 0.843 78 A CB -0.193 18.726 19.000 -0.136 0.000 0.873 78 A HN 0.272 nan 8.150 nan 0.000 0.492 79 G N -1.249 107.527 108.800 -0.041 0.000 2.160 79 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.251 79 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.251 79 G C 0.172 175.038 174.900 -0.056 0.000 1.008 79 G CA 0.775 45.854 45.100 -0.035 0.000 0.724 79 G HN 0.308 nan 8.290 nan 0.000 0.514 80 M N -0.980 118.578 119.600 -0.070 0.000 2.649 80 M HA 0.557 5.036 4.480 -0.001 0.000 0.294 80 M C 0.540 176.781 176.300 -0.098 0.000 1.206 80 M CA -0.439 54.805 55.300 -0.094 0.000 0.928 80 M CB 1.388 33.934 32.600 -0.089 0.000 1.571 80 M HN -0.035 nan 8.290 nan 0.000 0.501 81 K N 1.399 121.710 120.400 -0.149 0.000 2.258 81 K HA 0.777 5.097 4.320 -0.001 0.000 0.236 81 K C -0.570 176.017 176.600 -0.022 0.000 1.008 81 K CA -0.513 55.696 56.287 -0.130 0.000 0.869 81 K CB 2.064 34.371 32.500 -0.321 0.000 1.171 81 K HN 0.820 nan 8.250 nan 0.000 0.447 82 M N -1.063 118.547 119.600 0.017 0.000 2.622 82 M HA 0.576 5.056 4.480 -0.001 0.000 0.276 82 M C -1.339 174.949 176.300 -0.020 0.000 1.265 82 M CA -0.812 54.528 55.300 0.066 0.000 0.850 82 M CB 1.943 34.666 32.600 0.204 0.000 1.720 82 M HN 0.383 nan 8.290 nan 0.000 0.465 83 I N 2.917 123.450 120.570 -0.062 0.000 2.563 83 I HA 0.389 4.559 4.170 -0.001 0.000 0.276 83 I C -2.415 173.623 176.117 -0.132 0.000 1.074 83 I CA -1.719 59.492 61.300 -0.148 0.000 1.124 83 I CB 1.834 39.690 38.000 -0.240 0.000 1.225 83 I HN 0.465 nan 8.210 nan 0.000 0.482 84 P HA 0.217 nan 4.420 nan 0.000 0.271 84 P C -0.564 176.614 177.300 -0.203 0.000 1.216 84 P CA 0.128 63.174 63.100 -0.089 0.000 0.776 84 P CB 1.427 33.267 31.700 0.234 0.000 0.881 85 I N 3.843 124.235 120.570 -0.297 0.000 2.354 85 I HA 0.198 4.368 4.170 -0.001 0.000 0.286 85 I C 0.395 176.299 176.117 -0.355 0.000 1.007 85 I CA -1.040 60.094 61.300 -0.276 0.000 1.167 85 I CB 1.044 38.857 38.000 -0.311 0.000 1.320 85 I HN 0.132 nan 8.210 nan 0.000 0.458 86 I N 5.581 125.923 120.570 -0.380 0.000 2.455 86 I HA -0.020 4.150 4.170 -0.001 0.000 0.303 86 I C 0.687 176.656 176.117 -0.247 0.000 1.180 86 I CA 0.752 61.815 61.300 -0.395 0.000 1.469 86 I CB -0.308 37.418 38.000 -0.457 0.000 1.480 86 I HN 0.438 nan 8.210 nan 0.000 0.669 87 S N 3.683 119.207 115.700 -0.293 0.000 3.065 87 S HA 0.050 4.520 4.470 -0.001 0.000 0.311 87 S C 1.333 175.901 174.600 -0.053 0.000 1.204 87 S CA -0.337 57.689 58.200 -0.291 0.000 1.040 87 S CB -0.454 62.204 63.200 -0.904 0.000 1.436 87 S HN 0.732 nan 8.310 nan 0.000 0.532 88 T N 0.001 114.585 114.554 0.051 0.000 3.324 88 T HA 0.073 4.423 4.350 -0.001 0.000 0.250 88 T C 0.444 175.393 174.700 0.416 0.000 1.059 88 T CA -0.383 61.812 62.100 0.160 0.000 0.951 88 T CB -0.552 68.091 68.868 -0.375 0.000 1.030 88 T HN 0.750 nan 8.240 nan 0.000 0.576 89 H N -1.106 118.178 119.070 0.357 0.000 2.797 89 H HA 0.511 5.066 4.556 -0.001 0.000 0.362 89 H C -0.793 174.743 175.328 0.346 0.000 1.183 89 H CA -1.126 55.123 56.048 0.335 0.000 1.197 89 H CB 1.285 31.210 29.762 0.272 0.000 1.835 89 H HN 0.211 nan 8.280 nan 0.000 0.567 90 Q N 0.822 120.792 119.800 0.284 0.000 2.314 90 Q HA 0.265 4.605 4.340 -0.001 0.000 0.258 90 Q C -0.922 175.026 176.000 -0.087 0.000 0.954 90 Q CA -0.509 55.327 55.803 0.055 0.000 0.890 90 Q CB 0.759 29.537 28.738 0.068 0.000 1.210 90 Q HN 0.577 nan 8.270 nan 0.000 0.410 91 c N 4.224 122.500 118.600 -0.539 0.000 2.307 91 c HA 0.855 5.424 4.570 -0.001 0.000 0.340 91 c C 0.200 174.065 174.090 -0.375 0.000 1.275 91 c CA 1.090 56.965 56.329 -0.757 0.000 1.811 91 c CB -0.896 40.585 42.510 -1.714 0.000 2.372 91 c HN 1.008 nan 8.230 nan 0.000 0.531 92 G N 3.779 112.464 108.800 -0.193 0.000 2.770 92 G HA2 0.462 4.421 3.960 -0.001 0.000 0.686 92 G HA3 0.462 4.421 3.960 -0.001 0.000 0.686 92 G C 0.450 175.312 174.900 -0.063 0.000 1.180 92 G CA 0.199 45.226 45.100 -0.123 0.000 0.767 92 G HN 2.372 nan 8.290 nan 0.000 0.646 93 G N 0.547 109.323 108.800 -0.041 0.000 2.232 93 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.226 93 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.226 93 G C 0.282 175.178 174.900 -0.007 0.000 0.996 93 G CA 0.753 45.838 45.100 -0.024 0.000 0.626 93 G HN 1.231 nan 8.290 nan 0.000 0.509 94 N N -0.233 118.470 118.700 0.005 0.000 2.483 94 N HA 0.462 5.201 4.740 -0.001 0.000 0.285 94 N C 0.175 175.702 175.510 0.029 0.000 1.210 94 N CA -0.101 52.964 53.050 0.025 0.000 0.931 94 N CB 2.224 40.735 38.487 0.040 0.000 1.220 94 N HN 0.308 nan 8.380 nan 0.000 0.542 95 V N 1.195 121.135 119.914 0.043 0.000 2.506 95 V HA 0.131 4.251 4.120 -0.001 0.000 0.296 95 V C 1.199 177.309 176.094 0.027 0.000 1.004 95 V CA 1.542 63.859 62.300 0.028 0.000 1.150 95 V CB -0.847 30.991 31.823 0.025 0.000 0.911 95 V HN 0.972 nan 8.190 nan 0.000 0.476 96 G N 4.434 113.244 108.800 0.015 0.000 2.143 96 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.248 96 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.248 96 G C -0.202 174.711 174.900 0.022 0.000 0.991 96 G CA 0.219 45.331 45.100 0.019 0.000 0.689 96 G HN 0.836 nan 8.290 nan 0.000 0.522 97 D N 0.633 121.041 120.400 0.013 0.000 2.316 97 D HA 0.482 5.122 4.640 -0.001 0.000 0.245 97 D C -0.268 176.019 176.300 -0.021 0.000 1.171 97 D CA 0.021 54.021 54.000 -0.001 0.000 0.856 97 D CB 1.415 42.206 40.800 -0.015 0.000 1.090 97 D HN 0.180 nan 8.370 nan 0.000 0.476 98 D N 2.200 122.587 120.400 -0.022 0.000 2.456 98 D HA 0.310 4.949 4.640 -0.001 0.000 0.287 98 D C -1.069 175.195 176.300 -0.061 0.000 1.186 98 D CA -0.432 53.548 54.000 -0.033 0.000 0.916 98 D CB -0.282 40.512 40.800 -0.011 0.000 1.029 98 D HN 0.436 nan 8.370 nan 0.000 0.498 99 c N 0.869 119.406 118.600 -0.104 0.000 3.165 99 c HA 0.732 5.301 4.570 -0.001 0.000 0.345 99 c C -1.310 172.660 174.090 -0.200 0.000 1.367 99 c CA -1.190 55.038 56.329 -0.168 0.000 1.205 99 c CB 1.030 43.392 42.510 -0.247 0.000 1.447 99 c HN 0.414 nan 8.230 nan 0.000 0.451 100 N N -0.185 118.368 118.700 -0.244 0.000 2.732 100 N HA 0.564 5.304 4.740 -0.001 0.000 0.247 100 N C -1.610 173.737 175.510 -0.271 0.000 1.305 100 N CA -0.198 52.718 53.050 -0.223 0.000 0.762 100 N CB 1.310 39.710 38.487 -0.145 0.000 1.361 100 N HN 0.877 nan 8.380 nan 0.000 0.545 101 V N 4.335 124.015 119.914 -0.389 0.000 2.454 101 V HA 0.488 4.608 4.120 -0.001 0.000 0.267 101 V C -2.090 173.833 176.094 -0.285 0.000 0.993 101 V CA -1.116 60.953 62.300 -0.384 0.000 0.836 101 V CB 1.101 32.526 31.823 -0.665 0.000 1.055 101 V HN 0.454 nan 8.190 nan 0.000 0.452 102 P HA 0.386 nan 4.420 nan 0.000 0.276 102 P C 0.167 177.418 177.300 -0.080 0.000 1.261 102 P CA -0.370 62.683 63.100 -0.078 0.000 0.800 102 P CB 1.476 33.152 31.700 -0.040 0.000 1.066 103 I N -2.879 117.656 120.570 -0.057 0.000 2.779 103 I HA 0.326 4.496 4.170 -0.001 0.000 0.285 103 I C -2.351 173.481 176.117 -0.475 0.000 1.134 103 I CA -2.671 58.467 61.300 -0.270 0.000 1.398 103 I CB -0.758 37.082 38.000 -0.267 0.000 1.404 103 I HN 0.082 nan 8.210 nan 0.000 0.587 104 P HA -0.071 nan 4.420 nan 0.000 0.259 104 P C 0.696 177.493 177.300 -0.837 0.000 1.163 104 P CA 0.398 62.977 63.100 -0.869 0.000 0.760 104 P CB 0.595 31.467 31.700 -1.380 0.000 0.762 105 S N 4.153 119.639 115.700 -0.355 0.000 2.399 105 S HA -0.156 4.313 4.470 -0.001 0.000 0.231 105 S C 1.677 176.221 174.600 -0.093 0.000 1.022 105 S CA 0.544 58.705 58.200 -0.065 0.000 0.983 105 S CB -1.087 62.150 63.200 0.062 0.000 0.803 105 S HN 0.681 nan 8.310 nan 0.000 0.480 106 W N 1.721 122.957 121.300 -0.106 0.000 2.392 106 W HA 0.022 4.682 4.660 -0.001 0.000 0.279 106 W C 1.411 177.840 176.519 -0.149 0.000 1.225 106 W CA 0.593 57.882 57.345 -0.092 0.000 1.233 106 W CB -1.163 28.235 29.460 -0.103 0.000 1.122 106 W HN 0.165 nan 8.180 nan 0.000 0.561 107 V N 1.156 120.456 119.914 -1.024 0.000 2.380 107 V HA -0.329 3.791 4.120 -0.001 0.000 0.251 107 V C 2.099 177.862 176.094 -0.551 0.000 1.063 107 V CA 2.509 64.203 62.300 -1.010 0.000 1.055 107 V CB -1.206 29.705 31.823 -1.520 0.000 0.657 107 V HN 0.235 nan 8.190 nan 0.000 0.455 108 W N 0.175 121.376 121.300 -0.165 0.000 2.465 108 W HA -0.072 4.588 4.660 -0.000 0.000 0.268 108 W C 2.099 178.623 176.519 0.007 0.000 1.242 108 W CA 0.750 58.063 57.345 -0.053 0.000 1.248 108 W CB -0.654 28.767 29.460 -0.064 0.000 1.118 108 W HN 0.280 nan 8.180 nan 0.000 0.587 109 N N -0.112 118.699 118.700 0.186 0.000 2.467 109 N HA -0.115 4.625 4.740 -0.001 0.000 0.184 109 N C 1.585 177.171 175.510 0.127 0.000 1.106 109 N CA 0.519 53.665 53.050 0.160 0.000 0.892 109 N CB -0.107 38.476 38.487 0.160 0.000 0.969 109 N HN 0.042 nan 8.380 nan 0.000 0.454 110 Q N 0.247 120.114 119.800 0.111 0.000 2.436 110 Q HA 0.087 4.427 4.340 -0.001 0.000 0.209 110 Q C -0.085 175.949 176.000 0.057 0.000 0.965 110 Q CA 1.004 56.861 55.803 0.089 0.000 0.910 110 Q CB 0.330 29.120 28.738 0.087 0.000 0.980 110 Q HN 0.226 nan 8.270 nan 0.000 0.491 111 K N -0.670 119.769 120.400 0.064 0.000 2.469 111 K HA 0.386 4.705 4.320 -0.001 0.000 0.254 111 K C 0.208 176.844 176.600 0.059 0.000 0.939 111 K CA -0.403 55.904 56.287 0.033 0.000 0.812 111 K CB 2.047 34.536 32.500 -0.018 0.000 1.301 111 K HN -0.270 nan 8.250 nan 0.000 0.433 112 S N 0.280 116.002 115.700 0.037 0.000 2.535 112 S HA -0.019 4.451 4.470 -0.001 0.000 0.214 112 S C 0.301 174.931 174.600 0.049 0.000 0.980 112 S CA 0.110 58.341 58.200 0.051 0.000 0.907 112 S CB 0.053 63.278 63.200 0.043 0.000 0.790 112 S HN 0.700 nan 8.310 nan 0.000 0.510 113 D N 1.248 121.656 120.400 0.013 0.000 2.595 113 D HA 0.274 4.913 4.640 -0.001 0.000 0.268 113 D C -0.358 175.916 176.300 -0.042 0.000 1.181 113 D CA -0.683 53.316 54.000 -0.002 0.000 1.085 113 D CB 0.021 40.807 40.800 -0.024 0.000 1.186 113 D HN -0.009 nan 8.370 nan 0.000 0.621 114 D N -1.853 118.472 120.400 -0.124 0.000 2.491 114 D HA 0.042 4.681 4.640 -0.001 0.000 0.228 114 D C 0.987 176.956 176.300 -0.552 0.000 1.183 114 D CA -0.176 53.559 54.000 -0.441 0.000 0.827 114 D CB -0.300 40.275 40.800 -0.375 0.000 0.989 114 D HN 0.232 nan 8.370 nan 0.000 0.494 115 S N -0.100 115.317 115.700 -0.472 0.000 2.447 115 S HA -0.087 4.382 4.470 -0.001 0.000 0.233 115 S C 1.763 176.109 174.600 -0.422 0.000 1.006 115 S CA 0.265 58.043 58.200 -0.703 0.000 0.957 115 S CB -0.575 61.725 63.200 -1.500 0.000 0.773 115 S HN 0.348 nan 8.310 nan 0.000 0.507 116 L N -0.007 121.063 121.223 -0.255 0.000 2.341 116 L HA 0.206 4.546 4.340 -0.001 0.000 0.214 116 L C 1.104 178.068 176.870 0.156 0.000 1.115 116 L CA 0.211 55.055 54.840 0.007 0.000 0.820 116 L CB -0.411 41.797 42.059 0.247 0.000 0.944 116 L HN 0.534 nan 8.230 nan 0.000 0.452 117 Y N -2.979 117.345 120.300 0.041 0.000 2.730 117 Y HA 0.687 5.236 4.550 -0.001 0.000 0.325 117 Y C -0.500 175.284 175.900 -0.193 0.000 1.132 117 Y CA -2.099 55.979 58.100 -0.036 0.000 1.206 117 Y CB 0.307 38.757 38.460 -0.017 0.000 1.390 117 Y HN -0.311 nan 8.280 nan 0.000 0.555 118 F N 0.293 120.479 119.950 0.393 0.000 2.523 118 F HA 0.639 5.165 4.527 -0.001 0.000 0.329 118 F C -0.123 175.875 175.800 0.330 0.000 1.061 118 F CA -0.998 57.182 58.000 0.300 0.000 0.967 118 F CB 2.107 41.266 39.000 0.264 0.000 1.218 118 F HN 0.380 nan 8.300 nan 0.000 0.480 119 K N 1.159 121.859 120.400 0.500 0.000 2.535 119 K HA 0.424 4.744 4.320 -0.001 0.000 0.250 119 K C -0.668 176.172 176.600 0.400 0.000 0.948 119 K CA -0.492 56.026 56.287 0.386 0.000 0.796 119 K CB 1.682 34.391 32.500 0.347 0.000 1.216 119 K HN 0.824 nan 8.250 nan 0.000 0.432 120 S N 2.182 118.036 115.700 0.257 0.000 2.641 120 S HA 0.122 4.592 4.470 -0.001 0.000 0.261 120 S C 0.957 175.492 174.600 -0.108 0.000 1.257 120 S CA -0.227 58.077 58.200 0.173 0.000 0.983 120 S CB 0.889 64.134 63.200 0.075 0.000 0.990 120 S HN 0.718 nan 8.310 nan 0.000 0.572 121 E N 0.373 120.354 120.200 -0.365 0.000 2.160 121 E HA -0.119 4.230 4.350 -0.001 0.000 0.195 121 E C 1.538 177.884 176.600 -0.424 0.000 0.991 121 E CA 1.649 57.561 56.400 -0.814 0.000 0.810 121 E CB -0.476 28.971 29.700 -0.423 0.000 0.742 121 E HN 0.903 nan 8.360 nan 0.000 0.466 122 T N -3.236 111.200 114.554 -0.196 0.000 3.163 122 T HA 0.378 4.727 4.350 -0.001 0.000 0.252 122 T C 1.286 175.956 174.700 -0.051 0.000 1.056 122 T CA 0.171 62.208 62.100 -0.105 0.000 0.947 122 T CB 0.791 69.622 68.868 -0.062 0.000 1.016 122 T HN 0.272 nan 8.240 nan 0.000 0.554 123 G N 1.216 109.998 108.800 -0.031 0.000 2.176 123 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.253 123 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.253 123 G C 0.134 175.067 174.900 0.056 0.000 0.979 123 G CA -0.055 45.065 45.100 0.034 0.000 0.641 123 G HN 0.680 nan 8.290 nan 0.000 0.530 124 T N 1.418 116.001 114.554 0.048 0.000 2.799 124 T HA 0.437 4.787 4.350 -0.001 0.000 0.296 124 T C 0.692 175.450 174.700 0.097 0.000 0.947 124 T CA -0.048 62.082 62.100 0.050 0.000 1.141 124 T CB 2.136 71.026 68.868 0.035 0.000 0.891 124 T HN 0.392 nan 8.240 nan 0.000 0.533 125 V N 5.078 125.030 119.914 0.064 0.000 2.546 125 V HA 0.299 4.419 4.120 -0.001 0.000 0.284 125 V C 0.526 176.656 176.094 0.060 0.000 1.050 125 V CA -0.679 61.669 62.300 0.080 0.000 0.981 125 V CB 1.168 32.941 31.823 -0.083 0.000 0.990 125 V HN 0.820 nan 8.190 nan 0.000 0.474 126 N N 3.945 122.751 118.700 0.177 0.000 2.346 126 N HA 0.402 5.141 4.740 -0.001 0.000 0.289 126 N C -0.509 175.145 175.510 0.239 0.000 1.027 126 N CA -0.556 52.596 53.050 0.171 0.000 0.864 126 N CB 1.932 40.532 38.487 0.188 0.000 1.370 126 N HN 0.625 nan 8.380 nan 0.000 0.481 127 K N 2.158 122.609 120.400 0.084 0.000 2.792 127 K HA 0.101 4.420 4.320 -0.001 0.000 0.207 127 K C 0.527 177.317 176.600 0.317 0.000 1.103 127 K CA -0.041 56.297 56.287 0.085 0.000 1.048 127 K CB 0.653 32.817 32.500 -0.560 0.000 0.777 127 K HN 0.625 nan 8.250 nan 0.000 0.468 128 E N 0.022 120.393 120.200 0.285 0.000 2.502 128 E HA -0.006 4.343 4.350 -0.001 0.000 0.194 128 E C 0.377 177.186 176.600 0.349 0.000 1.062 128 E CA 0.417 56.971 56.400 0.258 0.000 0.867 128 E CB 0.456 30.247 29.700 0.151 0.000 0.888 128 E HN -0.077 nan 8.360 nan 0.000 0.510 129 T N -0.309 114.521 114.554 0.459 0.000 2.786 129 T HA 0.339 4.689 4.350 -0.001 0.000 0.316 129 T C -1.539 173.462 174.700 0.501 0.000 1.503 129 T CA -0.793 61.584 62.100 0.462 0.000 1.019 129 T CB 1.012 70.124 68.868 0.408 0.000 1.415 129 T HN 0.129 nan 8.240 nan 0.000 0.496 130 L N 3.201 124.641 121.223 0.362 0.000 2.371 130 L HA 0.426 4.766 4.340 -0.001 0.000 0.272 130 L C 0.837 177.734 176.870 0.046 0.000 1.124 130 L CA -0.822 54.132 54.840 0.189 0.000 0.816 130 L CB 0.614 42.751 42.059 0.130 0.000 1.129 130 L HN 0.600 nan 8.230 nan 0.000 0.448 131 N N 5.028 123.589 118.700 -0.232 0.000 2.452 131 N HA 0.059 4.799 4.740 -0.001 0.000 0.266 131 N C -1.566 173.787 175.510 -0.262 0.000 1.175 131 N CA -1.499 51.222 53.050 -0.548 0.000 0.945 131 N CB 1.257 39.306 38.487 -0.731 0.000 1.063 131 N HN 0.329 nan 8.380 nan 0.000 0.472 132 P HA -0.135 nan 4.420 nan 0.000 0.226 132 P C 1.391 178.614 177.300 -0.128 0.000 1.146 132 P CA 0.822 63.706 63.100 -0.359 0.000 0.773 132 P CB 0.417 31.755 31.700 -0.604 0.000 0.772 133 L N -0.723 120.476 121.223 -0.039 0.000 2.291 133 L HA 0.004 4.344 4.340 -0.001 0.000 0.214 133 L C 1.743 178.755 176.870 0.237 0.000 1.120 133 L CA 0.597 55.526 54.840 0.148 0.000 0.799 133 L CB -0.550 41.701 42.059 0.319 0.000 0.925 133 L HN -0.093 nan 8.230 nan 0.000 0.446 134 A N -0.400 122.453 122.820 0.055 0.000 3.202 134 A HA 0.183 4.502 4.320 -0.001 0.000 0.258 134 A C 1.637 179.199 177.584 -0.036 0.000 1.572 134 A CA 0.182 52.200 52.037 -0.033 0.000 1.241 134 A CB -0.390 18.520 19.000 -0.151 0.000 1.127 134 A HN 0.386 nan 8.150 nan 0.000 0.648 135 S N 0.664 116.371 115.700 0.012 0.000 2.419 135 S HA -0.205 4.265 4.470 -0.001 0.000 0.233 135 S C 1.452 176.030 174.600 -0.037 0.000 1.016 135 S CA 1.218 59.407 58.200 -0.017 0.000 0.974 135 S CB -0.304 62.908 63.200 0.021 0.000 0.786 135 S HN 0.763 nan 8.310 nan 0.000 0.492 136 D N 2.046 122.441 120.400 -0.009 0.000 2.117 136 D HA -0.081 4.559 4.640 -0.001 0.000 0.198 136 D C 1.896 178.182 176.300 -0.025 0.000 0.982 136 D CA 1.002 54.997 54.000 -0.008 0.000 0.828 136 D CB -0.814 39.994 40.800 0.014 0.000 0.967 136 D HN 0.425 nan 8.370 nan 0.000 0.464 137 V N 0.924 120.815 119.914 -0.038 0.000 2.591 137 V HA -0.126 3.994 4.120 -0.001 0.000 0.249 137 V C 2.614 178.672 176.094 -0.061 0.000 1.053 137 V CA 0.626 62.913 62.300 -0.022 0.000 1.068 137 V CB -0.230 31.578 31.823 -0.024 0.000 0.689 137 V HN 0.149 nan 8.190 nan 0.000 0.462 138 I N 0.364 120.835 120.570 -0.164 0.000 2.142 138 I HA -0.233 3.937 4.170 -0.001 0.000 0.240 138 I C 2.605 178.503 176.117 -0.366 0.000 1.078 138 I CA 1.798 62.843 61.300 -0.425 0.000 1.343 138 I CB -1.208 36.509 38.000 -0.472 0.000 1.046 138 I HN 0.322 nan 8.210 nan 0.000 0.405 139 R N 1.305 121.680 120.500 -0.208 0.000 2.083 139 R HA -0.240 4.100 4.340 -0.001 0.000 0.237 139 R C 2.381 178.631 176.300 -0.083 0.000 1.137 139 R CA 2.077 58.093 56.100 -0.139 0.000 0.951 139 R CB -0.167 30.087 30.300 -0.077 0.000 0.851 139 R HN 0.304 nan 8.270 nan 0.000 0.434 140 K N 0.146 120.525 120.400 -0.034 0.000 1.973 140 K HA -0.173 4.147 4.320 -0.001 0.000 0.212 140 K C 1.886 178.523 176.600 0.062 0.000 1.047 140 K CA 1.805 58.106 56.287 0.024 0.000 0.937 140 K CB -0.061 32.473 32.500 0.056 0.000 0.721 140 K HN 0.122 nan 8.250 nan 0.000 0.440 141 E N 0.024 120.289 120.200 0.108 0.000 2.051 141 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 141 E C 2.192 178.816 176.600 0.040 0.000 0.991 141 E CA 1.335 57.850 56.400 0.193 0.000 0.799 141 E CB -0.467 29.438 29.700 0.341 0.000 0.748 141 E HN 0.440 nan 8.360 nan 0.000 0.449 142 Y N 0.789 120.851 120.300 -0.396 0.000 2.242 142 Y HA -0.005 4.544 4.550 -0.001 0.000 0.291 142 Y C 2.577 178.003 175.900 -0.791 0.000 1.137 142 Y CA 0.829 58.469 58.100 -0.766 0.000 1.181 142 Y CB -1.147 36.808 38.460 -0.841 0.000 0.989 142 Y HN 0.089 nan 8.280 nan 0.000 0.527 143 G N -0.179 108.466 108.800 -0.257 0.000 2.421 143 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.216 143 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.216 143 G C 1.538 176.400 174.900 -0.064 0.000 1.171 143 G CA 1.029 46.031 45.100 -0.163 0.000 0.775 143 G HN 0.416 nan 8.290 nan 0.000 0.543 144 E N -0.331 119.885 120.200 0.025 0.000 2.077 144 E HA -0.090 4.260 4.350 -0.001 0.000 0.193 144 E C 2.392 179.100 176.600 0.180 0.000 0.989 144 E CA 0.751 57.246 56.400 0.158 0.000 0.800 144 E CB -0.170 29.696 29.700 0.277 0.000 0.746 144 E HN 0.335 nan 8.360 nan 0.000 0.452 145 L N 0.260 121.555 121.223 0.120 0.000 2.027 145 L HA -0.166 4.173 4.340 -0.001 0.000 0.206 145 L C 2.014 178.983 176.870 0.165 0.000 1.074 145 L CA 1.652 56.565 54.840 0.121 0.000 0.745 145 L CB -0.467 41.533 42.059 -0.099 0.000 0.898 145 L HN 0.214 nan 8.230 nan 0.000 0.433 146 Y N -0.970 119.299 120.300 -0.052 0.000 2.145 146 Y HA -0.265 4.285 4.550 -0.001 0.000 0.286 146 Y C 2.475 178.248 175.900 -0.211 0.000 1.145 146 Y CA 1.011 59.063 58.100 -0.079 0.000 1.148 146 Y CB -0.660 37.677 38.460 -0.204 0.000 0.981 146 Y HN 0.212 nan 8.280 nan 0.000 0.507 147 T N 0.308 114.844 114.554 -0.030 0.000 2.652 147 T HA -0.253 4.097 4.350 -0.001 0.000 0.267 147 T C 2.122 176.763 174.700 -0.099 0.000 1.039 147 T CA 1.354 63.396 62.100 -0.096 0.000 1.153 147 T CB -0.614 68.227 68.868 -0.046 0.000 0.863 147 T HN 0.462 nan 8.240 nan 0.000 0.428 148 A N 0.816 123.558 122.820 -0.129 0.000 1.940 148 A HA -0.047 4.273 4.320 -0.001 0.000 0.219 148 A C 2.039 179.312 177.584 -0.518 0.000 1.176 148 A CA 1.443 53.305 52.037 -0.292 0.000 0.631 148 A CB -0.955 17.619 19.000 -0.709 0.000 0.814 148 A HN 0.499 nan 8.150 nan 0.000 0.446 149 F N 0.842 120.441 119.950 -0.584 0.000 2.146 149 F HA 0.015 4.541 4.527 -0.001 0.000 0.298 149 F C 2.496 178.089 175.800 -0.345 0.000 1.096 149 F CA 1.069 58.606 58.000 -0.772 0.000 1.275 149 F CB -0.398 38.437 39.000 -0.276 0.000 1.008 149 F HN 0.244 nan 8.300 nan 0.000 0.480 150 A N 0.502 123.341 122.820 0.031 0.000 1.908 150 A HA -0.107 4.212 4.320 -0.001 0.000 0.218 150 A C 2.413 180.045 177.584 0.079 0.000 1.181 150 A CA 1.916 54.117 52.037 0.273 0.000 0.627 150 A CB -1.574 17.564 19.000 0.230 0.000 0.818 150 A HN 0.508 nan 8.150 nan 0.000 0.445 151 A N -0.219 122.538 122.820 -0.106 0.000 1.877 151 A HA 0.180 4.500 4.320 -0.001 0.000 0.216 151 A C 2.516 180.001 177.584 -0.165 0.000 1.186 151 A CA 2.096 54.060 52.037 -0.122 0.000 0.620 151 A CB -1.047 17.888 19.000 -0.108 0.000 0.822 151 A HN 1.088 nan 8.150 nan 0.000 0.443 152 A N -1.284 121.339 122.820 -0.329 0.000 1.969 152 A HA -0.040 4.280 4.320 -0.001 0.000 0.218 152 A C 1.926 179.376 177.584 -0.224 0.000 1.169 152 A CA 1.799 53.646 52.037 -0.317 0.000 0.635 152 A CB -0.349 18.288 19.000 -0.606 0.000 0.810 152 A HN 0.411 nan 8.150 nan 0.000 0.445 153 M N -0.759 118.643 119.600 -0.331 0.000 2.495 153 M HA 0.127 4.607 4.480 -0.001 0.000 0.237 153 M C 1.566 178.017 176.300 0.252 0.000 1.131 153 M CA 0.477 55.724 55.300 -0.087 0.000 1.032 153 M CB -0.768 31.517 32.600 -0.526 0.000 1.513 153 M HN 0.514 nan 8.290 nan 0.000 0.488 154 K N 1.475 121.923 120.400 0.081 0.000 2.074 154 K HA -0.155 4.164 4.320 -0.001 0.000 0.209 154 K C -0.998 175.503 176.600 -0.166 0.000 1.048 154 K CA 1.523 57.728 56.287 -0.137 0.000 0.926 154 K CB -0.636 31.750 32.500 -0.189 0.000 0.713 154 K HN 0.140 nan 8.250 nan 0.000 0.444 155 P HA -0.106 nan 4.420 nan 0.000 0.226 155 P C -0.195 176.763 177.300 -0.569 0.000 1.153 155 P CA 1.089 63.910 63.100 -0.465 0.000 0.777 155 P CB 0.090 31.365 31.700 -0.709 0.000 0.794 156 Y N -0.734 119.552 120.300 -0.023 0.000 2.636 156 Y HA 0.193 4.742 4.550 -0.001 0.000 0.260 156 Y C 1.833 177.782 175.900 0.082 0.000 1.177 156 Y CA -0.578 57.528 58.100 0.010 0.000 1.209 156 Y CB -0.528 37.928 38.460 -0.007 0.000 1.166 156 Y HN -0.026 nan 8.280 nan 0.000 0.531 157 K N 0.349 120.863 120.400 0.189 0.000 2.281 157 K HA -0.216 4.104 4.320 -0.001 0.000 0.203 157 K C 0.883 177.585 176.600 0.169 0.000 1.046 157 K CA 1.999 58.439 56.287 0.254 0.000 0.938 157 K CB -0.348 32.105 32.500 -0.078 0.000 0.737 157 K HN 0.444 nan 8.250 nan 0.000 0.458 158 D N 1.898 122.351 120.400 0.088 0.000 2.219 158 D HA -0.125 4.515 4.640 -0.001 0.000 0.205 158 D C 1.896 178.238 176.300 0.070 0.000 0.970 158 D CA 1.513 55.549 54.000 0.060 0.000 0.851 158 D CB -0.086 40.727 40.800 0.022 0.000 0.943 158 D HN 0.368 nan 8.370 nan 0.000 0.488 159 V N -1.660 118.312 119.914 0.097 0.000 3.647 159 V HA 0.282 4.402 4.120 -0.001 0.000 0.279 159 V C 1.040 177.172 176.094 0.063 0.000 1.314 159 V CA -0.461 61.880 62.300 0.069 0.000 1.125 159 V CB -0.561 31.312 31.823 0.083 0.000 0.907 159 V HN -0.034 nan 8.190 nan 0.000 0.434 160 I N 1.493 122.117 120.570 0.090 0.000 2.325 160 I HA 0.553 4.723 4.170 -0.001 0.000 0.291 160 I C 1.254 177.388 176.117 0.028 0.000 1.019 160 I CA 0.207 61.530 61.300 0.039 0.000 1.302 160 I CB 1.639 39.647 38.000 0.014 0.000 1.401 160 I HN 0.178 nan 8.210 nan 0.000 0.485 161 A N 6.418 129.231 122.820 -0.012 0.000 2.140 161 A HA 0.215 4.535 4.320 -0.001 0.000 0.209 161 A C 0.694 178.241 177.584 -0.062 0.000 1.181 161 A CA 0.523 52.575 52.037 0.024 0.000 0.824 161 A CB 0.389 19.468 19.000 0.132 0.000 0.879 161 A HN 0.710 nan 8.150 nan 0.000 0.480 162 K N -0.381 119.911 120.400 -0.180 0.000 2.625 162 K HA 0.460 4.780 4.320 -0.001 0.000 0.284 162 K C -2.259 174.105 176.600 -0.393 0.000 0.984 162 K CA -0.716 55.397 56.287 -0.290 0.000 0.865 162 K CB 1.037 33.308 32.500 -0.382 0.000 1.468 162 K HN -0.001 nan 8.250 nan 0.000 0.407 163 I N 2.885 123.173 120.570 -0.471 0.000 2.433 163 I HA 0.330 4.500 4.170 -0.001 0.000 0.292 163 I C -0.912 174.924 176.117 -0.469 0.000 1.001 163 I CA -0.575 60.398 61.300 -0.546 0.000 1.119 163 I CB 1.294 38.795 38.000 -0.831 0.000 1.289 163 I HN 0.622 nan 8.210 nan 0.000 0.438 164 Y N 5.455 125.537 120.300 -0.364 0.000 2.341 164 Y HA 0.524 5.073 4.550 -0.000 0.000 0.337 164 Y C 0.066 175.793 175.900 -0.288 0.000 1.014 164 Y CA -0.746 57.194 58.100 -0.267 0.000 1.111 164 Y CB 2.051 40.382 38.460 -0.215 0.000 1.194 164 Y HN 0.336 nan 8.280 nan 0.000 0.462 165 L N 2.373 123.606 121.223 0.015 0.000 2.344 165 L HA 0.467 4.807 4.340 -0.001 0.000 0.272 165 L C 0.022 176.918 176.870 0.043 0.000 1.035 165 L CA -0.845 53.968 54.840 -0.044 0.000 0.807 165 L CB 1.698 43.738 42.059 -0.032 0.000 1.237 165 L HN 0.462 nan 8.230 nan 0.000 0.442 166 S N 0.133 115.879 115.700 0.077 0.000 2.422 166 S HA 0.427 4.897 4.470 -0.001 0.000 0.308 166 S C 0.727 175.461 174.600 0.223 0.000 1.097 166 S CA -0.409 57.877 58.200 0.142 0.000 1.099 166 S CB 1.090 64.454 63.200 0.272 0.000 0.976 166 S HN 0.792 nan 8.310 nan 0.000 0.471 167 G N 2.744 111.659 108.800 0.191 0.000 3.088 167 G HA2 0.552 4.512 3.960 -0.001 0.000 0.217 167 G HA3 0.552 4.512 3.960 -0.001 0.000 0.217 167 G C 0.642 175.689 174.900 0.245 0.000 1.159 167 G CA 0.201 45.467 45.100 0.277 0.000 0.760 167 G HN 1.178 nan 8.290 nan 0.000 0.550 168 G N -0.667 108.227 108.800 0.157 0.000 2.404 168 G HA2 0.357 4.317 3.960 -0.001 0.000 0.253 168 G HA3 0.357 4.317 3.960 -0.001 0.000 0.253 168 G C -3.282 171.621 174.900 0.004 0.000 1.253 168 G CA -0.761 44.394 45.100 0.091 0.000 0.917 168 G HN -0.048 nan 8.290 nan 0.000 0.480 169 P HA 0.376 nan 4.420 nan 0.000 0.265 169 P C 0.636 177.820 177.300 -0.193 0.000 1.193 169 P CA 1.941 64.993 63.100 -0.080 0.000 0.765 169 P CB 1.133 32.746 31.700 -0.146 0.000 0.823 170 A N 3.633 126.310 122.820 -0.237 0.000 2.829 170 A HA -0.091 4.229 4.320 -0.001 0.000 0.267 170 A C 1.454 178.695 177.584 -0.571 0.000 1.370 170 A CA 1.373 53.256 52.037 -0.256 0.000 0.900 170 A CB -2.458 16.508 19.000 -0.056 0.000 1.044 170 A HN 1.108 nan 8.150 nan 0.000 0.691 171 G N -2.018 106.116 108.800 -1.110 0.000 2.147 171 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.244 171 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.244 171 G C -0.317 174.473 174.900 -0.183 0.000 1.005 171 G CA 0.905 45.649 45.100 -0.595 0.000 0.713 171 G HN 1.311 nan 8.290 nan 0.000 0.515 172 E N -0.911 119.220 120.200 -0.115 0.000 2.199 172 E HA 0.525 4.874 4.350 -0.001 0.000 0.269 172 E C -0.135 176.524 176.600 0.100 0.000 0.899 172 E CA -1.182 55.240 56.400 0.036 0.000 0.772 172 E CB 2.066 31.807 29.700 0.068 0.000 1.155 172 E HN 0.179 nan 8.360 nan 0.000 0.408 173 L N 5.213 126.561 121.223 0.207 0.000 2.536 173 L HA 0.146 4.486 4.340 -0.001 0.000 0.282 173 L C -0.236 176.764 176.870 0.217 0.000 1.147 173 L CA 0.881 55.858 54.840 0.228 0.000 0.936 173 L CB -0.821 41.438 42.059 0.334 0.000 1.279 173 L HN 0.608 nan 8.230 nan 0.000 0.461 174 R N 2.093 122.588 120.500 -0.007 0.000 2.855 174 R HA 0.326 4.666 4.340 -0.001 0.000 0.274 174 R C -1.561 174.524 176.300 -0.358 0.000 0.997 174 R CA -1.056 54.938 56.100 -0.176 0.000 0.856 174 R CB 0.340 30.548 30.300 -0.153 0.000 1.378 174 R HN 0.148 nan 8.270 nan 0.000 0.462 175 Y N 0.507 120.644 120.300 -0.272 0.000 2.352 175 Y HA 0.401 4.951 4.550 -0.001 0.000 0.326 175 Y C -1.648 174.002 175.900 -0.418 0.000 1.166 175 Y CA -2.204 55.669 58.100 -0.377 0.000 1.182 175 Y CB 1.518 39.834 38.460 -0.240 0.000 1.216 175 Y HN 0.376 nan 8.280 nan 0.000 0.474 176 P HA 0.019 nan 4.420 nan 0.000 0.220 176 P C 0.136 177.294 177.300 -0.238 0.000 1.806 176 P CA 0.115 62.987 63.100 -0.380 0.000 0.976 176 P CB -0.139 31.324 31.700 -0.395 0.000 1.952 177 S N -0.153 115.455 115.700 -0.153 0.000 2.561 177 S HA -0.068 4.401 4.470 -0.001 0.000 0.225 177 S C 0.567 175.257 174.600 0.149 0.000 0.977 177 S CA -0.079 58.130 58.200 0.015 0.000 0.926 177 S CB -1.019 62.221 63.200 0.065 0.000 0.769 177 S HN 0.413 nan 8.310 nan 0.000 0.533 178 Y N 1.346 121.689 120.300 0.072 0.000 2.646 178 Y HA 0.729 5.278 4.550 -0.001 0.000 0.334 178 Y C -0.307 175.643 175.900 0.083 0.000 1.004 178 Y CA -1.032 57.147 58.100 0.132 0.000 1.301 178 Y CB 0.186 38.840 38.460 0.322 0.000 1.093 178 Y HN 0.121 nan 8.280 nan 0.000 0.530 179 T N -2.024 112.595 114.554 0.108 0.000 2.906 179 T HA 0.347 4.697 4.350 -0.001 0.000 0.295 179 T C 0.581 175.310 174.700 0.048 0.000 1.075 179 T CA -0.536 61.591 62.100 0.045 0.000 1.005 179 T CB 1.800 70.663 68.868 -0.009 0.000 1.136 179 T HN 0.397 nan 8.240 nan 0.000 0.498 180 T N 1.360 115.931 114.554 0.028 0.000 2.737 180 T HA -0.076 4.274 4.350 -0.001 0.000 0.265 180 T C 2.239 176.944 174.700 0.008 0.000 1.038 180 T CA 1.835 63.945 62.100 0.015 0.000 1.144 180 T CB -0.613 68.258 68.868 0.005 0.000 0.866 180 T HN 0.688 nan 8.240 nan 0.000 0.434 181 S N 1.354 117.055 115.700 0.002 0.000 2.383 181 S HA -0.147 4.323 4.470 -0.001 0.000 0.229 181 S C 1.765 176.367 174.600 0.003 0.000 1.030 181 S CA 1.240 59.439 58.200 -0.003 0.000 1.002 181 S CB -0.371 62.823 63.200 -0.009 0.000 0.829 181 S HN 0.441 nan 8.310 nan 0.000 0.467 182 D N 0.368 120.775 120.400 0.012 0.000 2.340 182 D HA 0.155 4.795 4.640 -0.001 0.000 0.220 182 D C 1.141 177.452 176.300 0.019 0.000 1.039 182 D CA 0.571 54.582 54.000 0.017 0.000 0.866 182 D CB -0.371 40.445 40.800 0.027 0.000 0.913 182 D HN 0.386 nan 8.370 nan 0.000 0.523 183 G N 0.764 109.575 108.800 0.019 0.000 2.323 183 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.292 183 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.292 183 G C 0.724 175.643 174.900 0.031 0.000 1.040 183 G CA 0.946 46.056 45.100 0.017 0.000 0.942 183 G HN 0.447 nan 8.290 nan 0.000 0.506 184 T N -2.784 111.807 114.554 0.061 0.000 3.231 184 T HA 0.575 4.925 4.350 -0.001 0.000 0.292 184 T C 1.255 176.055 174.700 0.166 0.000 1.001 184 T CA 0.685 62.849 62.100 0.106 0.000 0.920 184 T CB 0.981 69.923 68.868 0.124 0.000 1.140 184 T HN 1.312 nan 8.240 nan 0.000 0.525 185 G N 0.830 109.690 108.800 0.100 0.000 2.636 185 G HA2 0.371 4.331 3.960 -0.001 0.000 0.246 185 G HA3 0.371 4.331 3.960 -0.001 0.000 0.246 185 G C -0.454 174.392 174.900 -0.090 0.000 1.216 185 G CA -0.771 44.374 45.100 0.075 0.000 0.854 185 G HN 0.481 nan 8.290 nan 0.000 0.572 186 Y N 1.756 121.746 120.300 -0.516 0.000 2.904 186 Y HA 0.165 4.715 4.550 -0.001 0.000 0.336 186 Y C -0.941 174.664 175.900 -0.492 0.000 1.263 186 Y CA -0.701 56.799 58.100 -0.999 0.000 1.547 186 Y CB 1.010 38.717 38.460 -1.256 0.000 1.272 186 Y HN 0.330 nan 8.280 nan 0.000 0.596 187 P HA 0.164 nan 4.420 nan 0.000 0.259 187 P C -0.683 176.416 177.300 -0.334 0.000 1.530 187 P CA -0.086 62.259 63.100 -1.259 0.000 1.022 187 P CB 0.207 31.130 31.700 -1.294 0.000 1.514 188 S N 1.275 116.866 115.700 -0.182 0.000 2.584 188 S HA 0.182 4.652 4.470 -0.001 0.000 0.270 188 S C 0.814 175.534 174.600 0.200 0.000 1.346 188 S CA -0.519 57.693 58.200 0.020 0.000 1.018 188 S CB 0.474 63.677 63.200 0.005 0.000 0.899 188 S HN 0.348 nan 8.310 nan 0.000 0.542 189 R N 0.496 121.070 120.500 0.124 0.000 2.774 189 R HA 0.513 4.852 4.340 -0.001 0.000 0.269 189 R C 0.512 176.865 176.300 0.089 0.000 1.068 189 R CA -0.417 55.738 56.100 0.092 0.000 1.180 189 R CB -0.097 30.223 30.300 0.033 0.000 1.077 189 R HN 0.581 nan 8.270 nan 0.000 0.513 190 G N 0.646 109.458 108.800 0.019 0.000 2.488 190 G HA2 0.366 4.326 3.960 -0.001 0.000 0.318 190 G HA3 0.366 4.326 3.960 -0.001 0.000 0.318 190 G C -1.029 173.801 174.900 -0.117 0.000 1.188 190 G CA -1.042 44.065 45.100 0.012 0.000 0.944 190 G HN 0.486 nan 8.290 nan 0.000 0.495 191 K N -0.211 120.136 120.400 -0.089 0.000 2.207 191 K HA 0.368 4.687 4.320 -0.001 0.000 0.255 191 K C -0.909 175.618 176.600 -0.121 0.000 0.941 191 K CA -0.459 55.766 56.287 -0.104 0.000 0.825 191 K CB 1.916 34.410 32.500 -0.011 0.000 1.119 191 K HN 0.362 nan 8.250 nan 0.000 0.430 192 F N 1.704 121.686 119.950 0.053 0.000 2.518 192 F HA -0.019 4.508 4.527 -0.001 0.000 0.359 192 F C 1.431 177.385 175.800 0.257 0.000 1.118 192 F CA 0.260 58.290 58.000 0.050 0.000 1.287 192 F CB 0.640 39.584 39.000 -0.094 0.000 1.132 192 F HN 0.259 nan 8.300 nan 0.000 0.587 193 Q N 3.087 123.131 119.800 0.407 0.000 2.404 193 Q HA 0.342 4.681 4.340 -0.001 0.000 0.368 193 Q C -0.199 176.071 176.000 0.450 0.000 0.939 193 Q CA -0.109 55.942 55.803 0.414 0.000 1.099 193 Q CB 1.129 30.038 28.738 0.285 0.000 1.284 193 Q HN 0.638 nan 8.270 nan 0.000 0.421 194 A N 0.174 123.176 122.820 0.302 0.000 3.113 194 A HA 0.394 4.713 4.320 -0.001 0.000 0.307 194 A C -0.332 177.073 177.584 -0.298 0.000 1.025 194 A CA -0.305 51.804 52.037 0.120 0.000 1.012 194 A CB -0.080 19.076 19.000 0.261 0.000 1.085 194 A HN 0.264 nan 8.150 nan 0.000 0.519 195 Y N 0.113 120.543 120.300 0.218 0.000 2.481 195 Y HA 0.113 4.663 4.550 -0.000 0.000 0.247 195 Y C 1.505 177.492 175.900 0.144 0.000 1.151 195 Y CA 0.244 58.434 58.100 0.150 0.000 1.238 195 Y CB 0.202 38.731 38.460 0.115 0.000 1.179 195 Y HN 0.431 nan 8.280 nan 0.000 0.524 196 T N -1.943 112.744 114.554 0.223 0.000 2.860 196 T HA 0.027 4.377 4.350 -0.001 0.000 0.299 196 T C 1.165 175.952 174.700 0.145 0.000 1.045 196 T CA -0.486 61.708 62.100 0.156 0.000 1.071 196 T CB 1.197 70.098 68.868 0.055 0.000 0.985 196 T HN 0.092 nan 8.240 nan 0.000 0.537 197 E N 0.329 120.608 120.200 0.133 0.000 2.160 197 E HA -0.092 4.258 4.350 -0.001 0.000 0.195 197 E C 1.447 178.141 176.600 0.156 0.000 0.991 197 E CA 0.886 57.364 56.400 0.130 0.000 0.810 197 E CB -0.454 29.318 29.700 0.120 0.000 0.742 197 E HN 0.781 nan 8.360 nan 0.000 0.466 198 F N 1.514 121.476 119.950 0.019 0.000 2.113 198 F HA -0.124 4.402 4.527 -0.001 0.000 0.297 198 F C 2.301 178.156 175.800 0.092 0.000 1.103 198 F CA 1.392 59.412 58.000 0.033 0.000 1.248 198 F CB -0.531 38.460 39.000 -0.015 0.000 0.999 198 F HN -0.003 nan 8.300 nan 0.000 0.475 199 A N 0.348 123.262 122.820 0.156 0.000 1.908 199 A HA -0.250 4.070 4.320 -0.001 0.000 0.218 199 A C 2.258 179.884 177.584 0.071 0.000 1.181 199 A CA 2.101 54.245 52.037 0.178 0.000 0.627 199 A CB -0.736 18.420 19.000 0.260 0.000 0.818 199 A HN 0.487 nan 8.150 nan 0.000 0.445 200 K N 0.242 120.660 120.400 0.029 0.000 2.026 200 K HA -0.129 4.191 4.320 -0.001 0.000 0.208 200 K C 2.435 179.023 176.600 -0.020 0.000 1.048 200 K CA 1.693 57.983 56.287 0.005 0.000 0.929 200 K CB -0.282 32.241 32.500 0.039 0.000 0.713 200 K HN 0.673 nan 8.250 nan 0.000 0.439 201 S N 1.226 116.898 115.700 -0.046 0.000 2.383 201 S HA -0.078 4.392 4.470 -0.001 0.000 0.227 201 S C 1.827 176.351 174.600 -0.127 0.000 1.026 201 S CA 0.753 58.908 58.200 -0.074 0.000 0.981 201 S CB -0.071 63.096 63.200 -0.054 0.000 0.818 201 S HN 0.090 nan 8.310 nan 0.000 0.472 202 K N 1.089 121.375 120.400 -0.191 0.000 2.026 202 K HA 0.060 4.380 4.320 -0.001 0.000 0.208 202 K C 1.760 178.318 176.600 -0.071 0.000 1.048 202 K CA 1.089 57.322 56.287 -0.092 0.000 0.929 202 K CB -1.011 31.477 32.500 -0.020 0.000 0.713 202 K HN 0.505 nan 8.250 nan 0.000 0.439 203 F N 2.420 122.024 119.950 -0.577 0.000 2.126 203 F HA -0.170 4.356 4.527 -0.001 0.000 0.299 203 F C 2.518 178.095 175.800 -0.372 0.000 1.096 203 F CA 1.480 58.792 58.000 -1.147 0.000 1.255 203 F CB -0.261 37.905 39.000 -1.390 0.000 0.997 203 F HN -0.050 nan 8.300 nan 0.000 0.479 204 R N 0.335 120.635 120.500 -0.334 0.000 2.073 204 R HA -0.154 4.186 4.340 -0.001 0.000 0.234 204 R C 2.358 178.539 176.300 -0.198 0.000 1.134 204 R CA 2.039 57.975 56.100 -0.273 0.000 0.952 204 R CB -0.527 29.707 30.300 -0.110 0.000 0.850 204 R HN 0.418 nan 8.270 nan 0.000 0.433 205 L N -0.961 120.195 121.223 -0.111 0.000 2.042 205 L HA -0.218 4.122 4.340 -0.001 0.000 0.210 205 L C 2.356 179.207 176.870 -0.033 0.000 1.076 205 L CA 1.524 56.331 54.840 -0.056 0.000 0.749 205 L CB -0.690 41.361 42.059 -0.012 0.000 0.893 205 L HN 0.402 nan 8.230 nan 0.000 0.432 206 W N 0.571 121.758 121.300 -0.187 0.000 2.335 206 W HA -0.222 4.437 4.660 -0.001 0.000 0.311 206 W C 2.341 178.739 176.519 -0.201 0.000 1.213 206 W CA 1.950 59.221 57.345 -0.125 0.000 1.274 206 W CB -0.303 29.131 29.460 -0.043 0.000 1.148 206 W HN -0.198 nan 8.180 nan 0.000 0.498 207 V N 1.076 120.935 119.914 -0.091 0.000 2.261 207 V HA -0.333 3.787 4.120 -0.001 0.000 0.246 207 V C 2.310 178.257 176.094 -0.246 0.000 1.047 207 V CA 2.114 64.296 62.300 -0.197 0.000 1.015 207 V CB -1.113 30.568 31.823 -0.236 0.000 0.642 207 V HN 0.239 nan 8.190 nan 0.000 0.446 208 L N 0.407 121.510 121.223 -0.200 0.000 2.201 208 L HA -0.157 4.183 4.340 -0.001 0.000 0.212 208 L C 2.471 179.227 176.870 -0.190 0.000 1.105 208 L CA 1.469 56.214 54.840 -0.159 0.000 0.775 208 L CB -0.681 41.305 42.059 -0.122 0.000 0.913 208 L HN 0.484 nan 8.230 nan 0.000 0.440 209 N N 0.739 119.294 118.700 -0.243 0.000 2.171 209 N HA -0.227 4.513 4.740 -0.001 0.000 0.184 209 N C 1.921 177.210 175.510 -0.370 0.000 1.021 209 N CA 1.242 54.138 53.050 -0.257 0.000 0.854 209 N CB 0.164 38.506 38.487 -0.242 0.000 0.994 209 N HN 0.301 nan 8.380 nan 0.000 0.426 210 K N -0.529 119.516 120.400 -0.592 0.000 2.057 210 K HA -0.131 4.189 4.320 -0.001 0.000 0.206 210 K C 1.358 177.512 176.600 -0.743 0.000 1.050 210 K CA 1.253 57.064 56.287 -0.794 0.000 0.935 210 K CB -0.048 31.713 32.500 -1.231 0.000 0.715 210 K HN 0.271 nan 8.250 nan 0.000 0.439 211 Y N -1.334 118.791 120.300 -0.291 0.000 2.509 211 Y HA 0.169 4.719 4.550 -0.001 0.000 0.270 211 Y C 1.740 177.526 175.900 -0.189 0.000 1.103 211 Y CA 0.212 58.167 58.100 -0.242 0.000 1.278 211 Y CB 0.944 39.220 38.460 -0.306 0.000 1.087 211 Y HN 0.374 nan 8.280 nan 0.000 0.542 212 G N 0.422 109.179 108.800 -0.071 0.000 2.458 212 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.237 212 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.237 212 G C 0.372 175.237 174.900 -0.059 0.000 1.113 212 G CA 0.479 45.538 45.100 -0.069 0.000 0.655 212 G HN 0.605 nan 8.290 nan 0.000 0.513 213 S N -1.109 114.559 115.700 -0.053 0.000 2.579 213 S HA 0.686 5.156 4.470 -0.001 0.000 0.272 213 S C 0.532 175.070 174.600 -0.102 0.000 1.141 213 S CA 0.197 58.356 58.200 -0.069 0.000 0.843 213 S CB 1.911 65.076 63.200 -0.059 0.000 1.122 213 S HN 1.209 nan 8.310 nan 0.000 0.468 214 L N 2.267 123.427 121.223 -0.105 0.000 2.191 214 L HA -0.009 4.331 4.340 -0.001 0.000 0.212 214 L C 2.253 179.033 176.870 -0.150 0.000 1.103 214 L CA 2.054 56.813 54.840 -0.136 0.000 0.769 214 L CB -0.836 41.167 42.059 -0.093 0.000 0.908 214 L HN 0.955 nan 8.230 nan 0.000 0.438 215 N N -0.661 117.971 118.700 -0.112 0.000 2.120 215 N HA -0.215 4.524 4.740 -0.001 0.000 0.188 215 N C 1.459 176.882 175.510 -0.145 0.000 1.024 215 N CA 1.424 54.411 53.050 -0.104 0.000 0.852 215 N CB 0.082 38.527 38.487 -0.071 0.000 1.003 215 N HN 0.425 nan 8.380 nan 0.000 0.424 216 E N 0.529 120.637 120.200 -0.154 0.000 2.208 216 E HA -0.066 4.283 4.350 -0.001 0.000 0.193 216 E C 2.210 178.527 176.600 -0.471 0.000 0.988 216 E CA 0.379 56.663 56.400 -0.193 0.000 0.828 216 E CB -0.142 29.520 29.700 -0.063 0.000 0.763 216 E HN 0.278 nan 8.360 nan 0.000 0.478 217 V N 2.442 122.023 119.914 -0.554 0.000 2.307 217 V HA -0.228 3.891 4.120 -0.001 0.000 0.245 217 V C 1.986 177.647 176.094 -0.722 0.000 1.045 217 V CA 1.612 63.321 62.300 -0.985 0.000 1.024 217 V CB -0.498 30.855 31.823 -0.782 0.000 0.651 217 V HN 0.201 nan 8.190 nan 0.000 0.449 218 N N 0.128 118.613 118.700 -0.357 0.000 2.166 218 N HA -0.165 4.575 4.740 -0.001 0.000 0.186 218 N C 1.858 177.295 175.510 -0.121 0.000 1.019 218 N CA 1.317 54.275 53.050 -0.153 0.000 0.856 218 N CB -0.279 38.154 38.487 -0.090 0.000 0.993 218 N HN 0.475 nan 8.380 nan 0.000 0.426 219 K N 0.676 120.974 120.400 -0.169 0.000 2.026 219 K HA -0.022 4.297 4.320 -0.001 0.000 0.208 219 K C 1.948 178.487 176.600 -0.101 0.000 1.048 219 K CA 1.304 57.524 56.287 -0.111 0.000 0.929 219 K CB -0.052 32.383 32.500 -0.108 0.000 0.713 219 K HN 0.114 nan 8.250 nan 0.000 0.439 220 A N 0.124 122.803 122.820 -0.234 0.000 1.898 220 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 220 A C 1.522 179.179 177.584 0.122 0.000 1.181 220 A CA 1.153 53.099 52.037 -0.151 0.000 0.620 220 A CB -0.646 18.049 19.000 -0.508 0.000 0.819 220 A HN 0.447 nan 8.150 nan 0.000 0.442 221 W N -1.111 120.116 121.300 -0.123 0.000 2.863 221 W HA 0.349 5.009 4.660 -0.001 0.000 0.258 221 W C 1.570 178.084 176.519 -0.009 0.000 1.298 221 W CA 0.247 57.588 57.345 -0.008 0.000 1.451 221 W CB -1.018 28.465 29.460 0.040 0.000 1.107 221 W HN 0.612 nan 8.180 nan 0.000 0.641 222 G N 1.396 110.298 108.800 0.170 0.000 2.198 222 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.257 222 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.257 222 G C 0.371 175.322 174.900 0.086 0.000 1.042 222 G CA 0.703 45.857 45.100 0.091 0.000 0.791 222 G HN 0.265 nan 8.290 nan 0.000 0.502 223 T N -3.092 111.531 114.554 0.114 0.000 2.922 223 T HA 0.781 5.130 4.350 -0.001 0.000 0.281 223 T C 0.182 174.908 174.700 0.043 0.000 1.005 223 T CA -0.736 61.419 62.100 0.091 0.000 0.982 223 T CB 2.123 71.096 68.868 0.175 0.000 1.158 223 T HN -0.016 nan 8.240 nan 0.000 0.566 224 K N 1.488 121.906 120.400 0.030 0.000 3.237 224 K HA 0.342 4.662 4.320 -0.001 0.000 0.197 224 K C -0.497 176.110 176.600 0.012 0.000 1.133 224 K CA -0.284 56.009 56.287 0.011 0.000 0.944 224 K CB 0.104 32.606 32.500 0.004 0.000 0.952 224 K HN 0.590 nan 8.250 nan 0.000 0.515 225 L N 1.343 122.578 121.223 0.020 0.000 2.462 225 L HA 0.133 4.473 4.340 -0.001 0.000 0.272 225 L C 1.508 178.378 176.870 -0.000 0.000 1.166 225 L CA -0.252 54.601 54.840 0.021 0.000 0.880 225 L CB 0.305 42.387 42.059 0.040 0.000 1.142 225 L HN 0.112 nan 8.230 nan 0.000 0.473 226 I N 1.633 122.204 120.570 0.002 0.000 3.427 226 I HA -0.020 4.150 4.170 -0.001 0.000 0.288 226 I C 0.912 177.025 176.117 -0.006 0.000 1.249 226 I CA 0.628 61.925 61.300 -0.004 0.000 1.421 226 I CB 0.248 38.247 38.000 -0.001 0.000 1.086 226 I HN 0.756 nan 8.210 nan 0.000 0.448 227 S N -2.184 113.515 115.700 -0.002 0.000 2.570 227 S HA 0.352 4.821 4.470 -0.001 0.000 0.270 227 S C 0.462 175.060 174.600 -0.003 0.000 1.149 227 S CA -0.753 57.445 58.200 -0.004 0.000 0.837 227 S CB 0.929 64.130 63.200 0.002 0.000 1.124 227 S HN 0.155 nan 8.310 nan 0.000 0.465 228 E N 0.100 120.293 120.200 -0.012 0.000 2.265 228 E HA -0.075 4.275 4.350 -0.001 0.000 0.196 228 E C 0.979 177.583 176.600 0.006 0.000 0.996 228 E CA 0.851 57.240 56.400 -0.018 0.000 0.832 228 E CB -0.397 29.284 29.700 -0.031 0.000 0.756 228 E HN 0.447 nan 8.360 nan 0.000 0.491 229 L N 0.212 121.444 121.223 0.015 0.000 2.465 229 L HA -0.049 4.290 4.340 -0.001 0.000 0.224 229 L C 2.057 178.956 176.870 0.048 0.000 1.145 229 L CA 0.973 55.831 54.840 0.030 0.000 0.834 229 L CB -0.439 41.636 42.059 0.026 0.000 0.944 229 L HN 0.054 nan 8.230 nan 0.000 0.451 230 A N -1.026 121.824 122.820 0.051 0.000 2.169 230 A HA 0.139 4.459 4.320 -0.001 0.000 0.212 230 A C 1.200 178.858 177.584 0.122 0.000 1.153 230 A CA -0.013 52.064 52.037 0.067 0.000 0.756 230 A CB -0.525 18.507 19.000 0.053 0.000 0.813 230 A HN 0.253 nan 8.150 nan 0.000 0.471 231 I N 1.563 122.220 120.570 0.144 0.000 2.406 231 I HA 0.267 4.436 4.170 -0.001 0.000 0.293 231 I C -0.620 175.668 176.117 0.286 0.000 1.101 231 I CA 0.388 61.849 61.300 0.268 0.000 1.334 231 I CB 0.100 38.190 38.000 0.149 0.000 1.421 231 I HN 0.167 nan 8.210 nan 0.000 0.513 232 L N 7.942 129.373 121.223 0.346 0.000 2.409 232 L HA 0.614 4.953 4.340 -0.001 0.000 0.255 232 L C -2.380 174.569 176.870 0.131 0.000 1.027 232 L CA -1.906 53.072 54.840 0.231 0.000 0.834 232 L CB 2.302 44.420 42.059 0.100 0.000 1.426 232 L HN 0.295 nan 8.230 nan 0.000 0.411 233 P HA 0.173 nan 4.420 nan 0.000 0.274 233 P C -2.704 174.303 177.300 -0.487 0.000 1.256 233 P CA -1.371 61.306 63.100 -0.705 0.000 0.795 233 P CB -0.527 30.660 31.700 -0.856 0.000 1.038 234 P HA -0.035 nan 4.420 nan 0.000 0.261 234 P C 0.864 178.087 177.300 -0.128 0.000 1.183 234 P CA 0.418 63.250 63.100 -0.446 0.000 0.761 234 P CB 0.128 31.366 31.700 -0.769 0.000 0.785 235 S N 0.651 116.310 115.700 -0.069 0.000 2.522 235 S HA -0.023 4.447 4.470 -0.001 0.000 0.227 235 S C 0.579 175.160 174.600 -0.032 0.000 0.986 235 S CA 0.274 58.463 58.200 -0.019 0.000 0.929 235 S CB -0.195 62.992 63.200 -0.022 0.000 0.769 235 S HN 0.469 nan 8.310 nan 0.000 0.529 236 D N 0.530 120.924 120.400 -0.010 0.000 2.358 236 D HA 0.444 5.083 4.640 -0.001 0.000 0.253 236 D C 1.038 177.399 176.300 0.102 0.000 1.288 236 D CA -0.276 53.740 54.000 0.027 0.000 0.950 236 D CB 0.968 41.784 40.800 0.027 0.000 1.197 236 D HN 0.102 nan 8.370 nan 0.000 0.550 237 G N 2.480 111.354 108.800 0.123 0.000 2.442 237 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.219 237 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.219 237 G C 1.159 176.223 174.900 0.274 0.000 1.141 237 G CA 0.861 46.124 45.100 0.271 0.000 0.763 237 G HN 0.541 nan 8.290 nan 0.000 0.554 238 E N -0.386 119.906 120.200 0.154 0.000 2.051 238 E HA -0.185 4.165 4.350 -0.001 0.000 0.192 238 E C 2.430 179.114 176.600 0.140 0.000 0.991 238 E CA 1.051 57.526 56.400 0.124 0.000 0.799 238 E CB -0.207 29.537 29.700 0.074 0.000 0.748 238 E HN 0.440 nan 8.360 nan 0.000 0.449 239 Q N 0.071 119.948 119.800 0.128 0.000 2.096 239 Q HA -0.210 4.130 4.340 -0.001 0.000 0.204 239 Q C 2.030 178.121 176.000 0.151 0.000 0.982 239 Q CA 1.514 57.381 55.803 0.106 0.000 0.850 239 Q CB -0.373 28.408 28.738 0.072 0.000 0.901 239 Q HN 0.388 nan 8.270 nan 0.000 0.422 240 F N 0.838 120.835 119.950 0.078 0.000 2.134 240 F HA -0.149 4.377 4.527 -0.001 0.000 0.299 240 F C 2.018 177.965 175.800 0.245 0.000 1.097 240 F CA 1.176 59.245 58.000 0.114 0.000 1.264 240 F CB -0.151 38.884 39.000 0.058 0.000 1.001 240 F HN 0.043 nan 8.300 nan 0.000 0.479 241 L N -0.619 120.806 121.223 0.338 0.000 2.291 241 L HA -0.184 4.156 4.340 -0.001 0.000 0.214 241 L C 2.310 179.276 176.870 0.161 0.000 1.120 241 L CA 0.813 55.775 54.840 0.203 0.000 0.799 241 L CB -0.472 41.684 42.059 0.163 0.000 0.925 241 L HN 0.264 nan 8.230 nan 0.000 0.446 242 M N -1.015 118.684 119.600 0.164 0.000 2.216 242 M HA -0.088 4.392 4.480 -0.001 0.000 0.264 242 M C 1.576 177.980 176.300 0.174 0.000 1.080 242 M CA 1.563 56.949 55.300 0.144 0.000 1.153 242 M CB -0.033 32.611 32.600 0.074 0.000 1.356 242 M HN 0.211 nan 8.290 nan 0.000 0.432 243 N N -1.174 117.551 118.700 0.042 0.000 1.983 243 N HA 0.093 4.833 4.740 -0.001 0.000 0.234 243 N C 1.223 176.524 175.510 -0.350 0.000 1.339 243 N CA 0.718 53.662 53.050 -0.176 0.000 0.826 243 N CB 0.003 38.424 38.487 -0.111 0.000 1.156 243 N HN 0.136 nan 8.380 nan 0.000 0.468 244 G N 0.365 109.005 108.800 -0.265 0.000 2.440 244 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.218 244 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.218 244 G C 1.320 175.810 174.900 -0.683 0.000 1.154 244 G CA 1.416 46.291 45.100 -0.375 0.000 0.767 244 G HN 0.553 nan 8.290 nan 0.000 0.552 245 Y N 0.317 120.012 120.300 -1.008 0.000 2.365 245 Y HA 0.049 4.599 4.550 -0.001 0.000 0.287 245 Y C 2.143 177.865 175.900 -0.296 0.000 1.162 245 Y CA 0.709 58.333 58.100 -0.793 0.000 1.260 245 Y CB -0.495 37.652 38.460 -0.522 0.000 0.976 245 Y HN 0.125 nan 8.280 nan 0.000 0.548 246 L N 0.940 121.622 121.223 -0.902 0.000 2.376 246 L HA -0.027 4.313 4.340 -0.001 0.000 0.219 246 L C 1.435 178.157 176.870 -0.248 0.000 1.133 246 L CA 0.436 54.926 54.840 -0.582 0.000 0.816 246 L CB -0.549 41.121 42.059 -0.649 0.000 0.933 246 L HN 0.376 nan 8.230 nan 0.000 0.449 247 S N -1.143 114.441 115.700 -0.193 0.000 2.645 247 S HA 0.097 4.567 4.470 -0.001 0.000 0.266 247 S C 0.874 175.479 174.600 0.009 0.000 1.258 247 S CA -0.639 57.521 58.200 -0.066 0.000 0.990 247 S CB 1.258 64.431 63.200 -0.046 0.000 0.967 247 S HN 0.073 nan 8.310 nan 0.000 0.556 248 M N 0.961 120.601 119.600 0.067 0.000 2.159 248 M HA -0.044 4.436 4.480 -0.001 0.000 0.263 248 M C 1.706 178.059 176.300 0.089 0.000 1.063 248 M CA 1.645 57.040 55.300 0.159 0.000 1.110 248 M CB -1.342 31.427 32.600 0.283 0.000 1.374 248 M HN 0.889 nan 8.290 nan 0.000 0.411 249 Y N -0.107 119.980 120.300 -0.356 0.000 2.145 249 Y HA -0.050 4.499 4.550 -0.001 0.000 0.286 249 Y C 2.020 177.821 175.900 -0.166 0.000 1.145 249 Y CA 2.099 59.695 58.100 -0.840 0.000 1.148 249 Y CB -1.005 36.803 38.460 -1.087 0.000 0.981 249 Y HN 0.253 nan 8.280 nan 0.000 0.507 250 G N 0.464 109.288 108.800 0.039 0.000 2.446 250 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.217 250 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.217 250 G C 1.644 176.638 174.900 0.157 0.000 1.168 250 G CA 1.198 46.399 45.100 0.169 0.000 0.771 250 G HN 0.426 nan 8.290 nan 0.000 0.551 251 K N 0.157 120.625 120.400 0.113 0.000 2.057 251 K HA -0.069 4.251 4.320 -0.001 0.000 0.207 251 K C 2.198 178.921 176.600 0.205 0.000 1.049 251 K CA 1.346 57.727 56.287 0.157 0.000 0.931 251 K CB -0.136 32.456 32.500 0.154 0.000 0.714 251 K HN 0.126 nan 8.250 nan 0.000 0.440 252 D N 0.017 120.581 120.400 0.273 0.000 2.097 252 D HA -0.175 4.465 4.640 -0.001 0.000 0.195 252 D C 1.755 178.226 176.300 0.285 0.000 0.989 252 D CA 1.050 55.346 54.000 0.493 0.000 0.827 252 D CB -0.333 40.969 40.800 0.837 0.000 0.966 252 D HN 0.166 nan 8.370 nan 0.000 0.456 253 Y N 1.272 121.537 120.300 -0.059 0.000 2.128 253 Y HA -0.153 4.397 4.550 -0.001 0.000 0.284 253 Y C 2.158 177.977 175.900 -0.134 0.000 1.154 253 Y CA 1.400 59.309 58.100 -0.317 0.000 1.149 253 Y CB -0.398 37.514 38.460 -0.913 0.000 0.976 253 Y HN -0.074 nan 8.280 nan 0.000 0.505 254 L N 0.106 121.305 121.223 -0.041 0.000 2.141 254 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 254 L C 2.560 179.413 176.870 -0.028 0.000 1.094 254 L CA 1.676 56.520 54.840 0.005 0.000 0.763 254 L CB -0.540 41.639 42.059 0.200 0.000 0.908 254 L HN 0.341 nan 8.230 nan 0.000 0.437 255 E N -0.220 119.971 120.200 -0.016 0.000 2.047 255 E HA -0.271 4.078 4.350 -0.001 0.000 0.191 255 E C 2.091 178.589 176.600 -0.170 0.000 0.987 255 E CA 1.446 57.834 56.400 -0.019 0.000 0.799 255 E CB -0.190 29.594 29.700 0.141 0.000 0.752 255 E HN 0.485 nan 8.360 nan 0.000 0.449 256 W N 0.361 121.272 121.300 -0.648 0.000 2.354 256 W HA -0.265 4.395 4.660 -0.001 0.000 0.315 256 W C 2.041 178.271 176.519 -0.482 0.000 1.206 256 W CA 1.886 58.688 57.345 -0.905 0.000 1.290 256 W CB -0.785 27.940 29.460 -1.225 0.000 1.152 256 W HN 0.172 nan 8.180 nan 0.000 0.489 257 Y N 1.380 121.270 120.300 -0.682 0.000 2.114 257 Y HA -0.363 4.187 4.550 -0.001 0.000 0.282 257 Y C 2.810 178.485 175.900 -0.374 0.000 1.165 257 Y CA 2.975 60.619 58.100 -0.760 0.000 1.148 257 Y CB -1.013 37.012 38.460 -0.724 0.000 0.972 257 Y HN 0.232 nan 8.280 nan 0.000 0.504 258 Q N -0.841 118.872 119.800 -0.145 0.000 2.187 258 Q HA -0.038 4.302 4.340 -0.001 0.000 0.199 258 Q C 2.403 178.335 176.000 -0.113 0.000 0.957 258 Q CA 1.007 56.776 55.803 -0.057 0.000 0.857 258 Q CB -0.456 28.315 28.738 0.054 0.000 0.929 258 Q HN 0.575 nan 8.270 nan 0.000 0.453 259 G N 1.670 110.359 108.800 -0.184 0.000 2.469 259 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.220 259 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.220 259 G C 1.337 176.121 174.900 -0.193 0.000 1.136 259 G CA 0.898 45.917 45.100 -0.135 0.000 0.759 259 G HN 0.340 nan 8.290 nan 0.000 0.562 260 I N 0.937 121.275 120.570 -0.387 0.000 2.208 260 I HA -0.110 4.060 4.170 -0.001 0.000 0.245 260 I C 2.785 178.782 176.117 -0.201 0.000 1.097 260 I CA 0.799 61.894 61.300 -0.342 0.000 1.363 260 I CB -1.161 36.547 38.000 -0.487 0.000 1.051 260 I HN 0.193 nan 8.210 nan 0.000 0.413 261 L N 0.032 121.137 121.223 -0.197 0.000 2.156 261 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 261 L C 2.422 179.307 176.870 0.025 0.000 1.095 261 L CA 1.050 55.833 54.840 -0.094 0.000 0.770 261 L CB -0.482 41.532 42.059 -0.075 0.000 0.914 261 L HN 0.277 nan 8.230 nan 0.000 0.439 262 E N 0.053 120.264 120.200 0.018 0.000 2.072 262 E HA -0.150 4.199 4.350 -0.001 0.000 0.190 262 E C 1.874 178.479 176.600 0.009 0.000 0.982 262 E CA 0.878 57.300 56.400 0.037 0.000 0.803 262 E CB -0.006 29.733 29.700 0.065 0.000 0.755 262 E HN 0.428 nan 8.360 nan 0.000 0.453 263 N N 0.383 119.088 118.700 0.008 0.000 2.166 263 N HA -0.172 4.568 4.740 -0.001 0.000 0.186 263 N C 1.690 177.209 175.510 0.014 0.000 1.019 263 N CA 1.117 54.173 53.050 0.011 0.000 0.856 263 N CB -0.430 38.064 38.487 0.012 0.000 0.993 263 N HN 0.237 nan 8.380 nan 0.000 0.426 264 H N 0.400 119.420 119.070 -0.084 0.000 2.387 264 H HA 0.026 4.582 4.556 -0.001 0.000 0.299 264 H C 1.589 176.866 175.328 -0.085 0.000 1.090 264 H CA 1.880 57.873 56.048 -0.092 0.000 1.332 264 H CB -0.274 29.426 29.762 -0.104 0.000 1.386 264 H HN 0.062 nan 8.280 nan 0.000 0.516 265 T N 0.398 114.881 114.554 -0.118 0.000 2.708 265 T HA -0.119 4.231 4.350 -0.001 0.000 0.266 265 T C 1.847 176.414 174.700 -0.221 0.000 1.037 265 T CA 1.702 63.652 62.100 -0.250 0.000 1.146 265 T CB -0.057 68.627 68.868 -0.306 0.000 0.865 265 T HN 0.385 nan 8.240 nan 0.000 0.435 266 K N 0.416 120.736 120.400 -0.133 0.000 2.097 266 K HA 0.024 4.344 4.320 -0.001 0.000 0.205 266 K C 2.129 178.688 176.600 -0.069 0.000 1.050 266 K CA 0.682 56.921 56.287 -0.080 0.000 0.938 266 K CB -0.268 32.208 32.500 -0.040 0.000 0.718 266 K HN 0.130 nan 8.250 nan 0.000 0.442 267 L N 1.937 123.100 121.223 -0.100 0.000 1.988 267 L HA -0.109 4.231 4.340 -0.001 0.000 0.207 267 L C 2.054 178.861 176.870 -0.104 0.000 1.071 267 L CA 1.445 56.226 54.840 -0.100 0.000 0.744 267 L CB -0.498 41.488 42.059 -0.121 0.000 0.893 267 L HN 0.234 nan 8.230 nan 0.000 0.433 268 I N -2.715 117.741 120.570 -0.190 0.000 2.361 268 I HA -0.066 4.104 4.170 -0.001 0.000 0.251 268 I C 2.236 178.381 176.117 0.046 0.000 1.133 268 I CA 1.473 62.745 61.300 -0.047 0.000 1.413 268 I CB -1.517 36.428 38.000 -0.092 0.000 1.073 268 I HN 0.263 nan 8.210 nan 0.000 0.424 269 G N 0.909 109.684 108.800 -0.041 0.000 2.408 269 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 269 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 269 G C 1.574 176.536 174.900 0.103 0.000 1.150 269 G CA 0.857 45.950 45.100 -0.012 0.000 0.776 269 G HN 0.609 nan 8.290 nan 0.000 0.542 270 E N 0.258 120.512 120.200 0.090 0.000 2.031 270 E HA -0.105 4.245 4.350 -0.001 0.000 0.193 270 E C 2.560 179.228 176.600 0.113 0.000 0.994 270 E CA 0.794 57.258 56.400 0.107 0.000 0.800 270 E CB -0.247 29.480 29.700 0.046 0.000 0.752 270 E HN 0.437 nan 8.360 nan 0.000 0.447 271 L N 0.502 121.784 121.223 0.098 0.000 2.042 271 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 271 L C 2.785 179.788 176.870 0.222 0.000 1.076 271 L CA 1.213 56.130 54.840 0.128 0.000 0.749 271 L CB -0.708 41.401 42.059 0.082 0.000 0.893 271 L HN 0.223 nan 8.230 nan 0.000 0.432 272 A N -0.728 122.247 122.820 0.258 0.000 1.877 272 A HA -0.222 4.098 4.320 -0.001 0.000 0.216 272 A C 2.163 179.800 177.584 0.088 0.000 1.186 272 A CA 1.435 53.559 52.037 0.145 0.000 0.620 272 A CB -0.830 18.149 19.000 -0.035 0.000 0.822 272 A HN 0.407 nan 8.150 nan 0.000 0.443 273 H N -0.135 119.011 119.070 0.126 0.000 2.387 273 H HA -0.094 4.462 4.556 -0.001 0.000 0.299 273 H C 1.970 177.332 175.328 0.057 0.000 1.090 273 H CA 1.672 57.778 56.048 0.097 0.000 1.332 273 H CB -0.382 29.414 29.762 0.057 0.000 1.386 273 H HN 0.651 nan 8.280 nan 0.000 0.516 274 N N 0.116 118.896 118.700 0.133 0.000 2.142 274 N HA -0.080 4.659 4.740 -0.001 0.000 0.186 274 N C 2.076 177.568 175.510 -0.031 0.000 1.023 274 N CA 0.950 54.030 53.050 0.050 0.000 0.852 274 N CB 0.049 38.554 38.487 0.030 0.000 0.998 274 N HN 0.230 nan 8.380 nan 0.000 0.424 275 A N -0.167 122.557 122.820 -0.159 0.000 1.970 275 A HA 0.033 4.352 4.320 -0.001 0.000 0.216 275 A C 1.320 178.634 177.584 -0.450 0.000 1.170 275 A CA 0.981 52.765 52.037 -0.421 0.000 0.645 275 A CB -0.343 18.214 19.000 -0.738 0.000 0.816 275 A HN 0.293 nan 8.150 nan 0.000 0.447 276 F N -1.111 118.916 119.950 0.129 0.000 2.727 276 F HA 0.125 4.652 4.527 -0.001 0.000 0.302 276 F C 1.603 177.533 175.800 0.216 0.000 1.107 276 F CA -0.189 57.945 58.000 0.224 0.000 1.277 276 F CB 0.176 39.222 39.000 0.077 0.000 1.079 276 F HN 0.023 nan 8.300 nan 0.000 0.594 277 D N 0.827 121.403 120.400 0.294 0.000 2.088 277 D HA -0.182 4.457 4.640 -0.001 0.000 0.191 277 D C 2.452 178.836 176.300 0.141 0.000 0.992 277 D CA 2.607 56.740 54.000 0.222 0.000 0.831 277 D CB -0.876 40.039 40.800 0.192 0.000 0.973 277 D HN 0.246 nan 8.370 nan 0.000 0.447 278 T N -1.848 112.757 114.554 0.084 0.000 2.788 278 T HA -0.113 4.237 4.350 -0.001 0.000 0.268 278 T C 1.972 176.661 174.700 -0.018 0.000 1.044 278 T CA 1.892 64.007 62.100 0.025 0.000 1.139 278 T CB -0.744 68.125 68.868 0.001 0.000 0.867 278 T HN 0.037 nan 8.240 nan 0.000 0.454 279 T N 1.278 115.813 114.554 -0.031 0.000 2.706 279 T HA 0.157 4.507 4.350 -0.001 0.000 0.255 279 T C 1.477 175.975 174.700 -0.338 0.000 1.048 279 T CA 1.113 63.069 62.100 -0.240 0.000 1.153 279 T CB -0.513 68.141 68.868 -0.357 0.000 0.865 279 T HN 0.431 nan 8.240 nan 0.000 0.414 280 F N 1.072 121.067 119.950 0.075 0.000 2.446 280 F HA 0.228 4.755 4.527 -0.001 0.000 0.292 280 F C 1.248 177.072 175.800 0.040 0.000 1.096 280 F CA -0.185 57.847 58.000 0.053 0.000 1.438 280 F CB -0.595 38.438 39.000 0.056 0.000 1.107 280 F HN 0.068 nan 8.300 nan 0.000 0.546 281 Q N 0.296 120.230 119.800 0.225 0.000 2.475 281 Q HA -0.159 4.181 4.340 -0.001 0.000 0.280 281 Q C -0.592 175.482 176.000 0.123 0.000 1.234 281 Q CA 0.448 56.336 55.803 0.142 0.000 0.873 281 Q CB -2.230 26.558 28.738 0.083 0.000 1.256 281 Q HN 0.361 nan 8.270 nan 0.000 0.475 282 V N -4.227 115.764 119.914 0.128 0.000 2.881 282 V HA 0.824 4.944 4.120 -0.001 0.000 0.316 282 V C -2.220 173.876 176.094 0.004 0.000 1.070 282 V CA -2.603 59.725 62.300 0.047 0.000 0.976 282 V CB 1.499 33.319 31.823 -0.005 0.000 1.038 282 V HN -0.115 nan 8.190 nan 0.000 0.446 283 P HA 0.444 nan 4.420 nan 0.000 0.269 283 P C -0.802 176.415 177.300 -0.139 0.000 1.209 283 P CA 0.133 63.209 63.100 -0.041 0.000 0.776 283 P CB 0.352 32.020 31.700 -0.053 0.000 0.876 284 I N 1.391 121.887 120.570 -0.123 0.000 2.465 284 I HA 0.624 4.793 4.170 -0.001 0.000 0.291 284 I C 0.656 176.682 176.117 -0.151 0.000 1.014 284 I CA -0.275 60.889 61.300 -0.228 0.000 1.093 284 I CB 2.189 39.995 38.000 -0.323 0.000 1.267 284 I HN 0.385 nan 8.210 nan 0.000 0.431 285 G N 3.615 112.310 108.800 -0.174 0.000 2.733 285 G HA2 0.890 4.849 3.960 -0.001 0.000 0.288 285 G HA3 0.890 4.849 3.960 -0.001 0.000 0.288 285 G C -1.776 173.274 174.900 0.250 0.000 1.373 285 G CA -0.643 44.475 45.100 0.030 0.000 0.895 285 G HN 0.785 nan 8.290 nan 0.000 0.479 286 A N -0.154 122.905 122.820 0.399 0.000 2.566 286 A HA 0.870 5.189 4.320 -0.001 0.000 0.292 286 A C -0.768 177.067 177.584 0.419 0.000 1.112 286 A CA -0.780 51.491 52.037 0.390 0.000 0.707 286 A CB 1.711 20.880 19.000 0.282 0.000 1.302 286 A HN 0.565 nan 8.150 nan 0.000 0.409 287 K N 0.501 121.057 120.400 0.260 0.000 2.207 287 K HA 0.689 5.009 4.320 -0.001 0.000 0.255 287 K C -1.295 175.440 176.600 0.224 0.000 0.941 287 K CA -0.212 56.179 56.287 0.173 0.000 0.825 287 K CB 2.070 34.574 32.500 0.007 0.000 1.119 287 K HN 0.554 nan 8.250 nan 0.000 0.430 288 I N 2.237 122.921 120.570 0.190 0.000 2.404 288 I HA 0.283 4.453 4.170 -0.001 0.000 0.293 288 I C 0.104 176.350 176.117 0.217 0.000 0.992 288 I CA -0.802 60.636 61.300 0.229 0.000 1.149 288 I CB 1.855 39.929 38.000 0.123 0.000 1.315 288 I HN 0.703 nan 8.210 nan 0.000 0.446 289 A N 4.135 127.173 122.820 0.364 0.000 2.386 289 A HA 0.530 4.850 4.320 -0.001 0.000 0.248 289 A C 0.657 178.331 177.584 0.150 0.000 1.082 289 A CA -0.195 51.998 52.037 0.260 0.000 0.789 289 A CB 0.255 19.490 19.000 0.391 0.000 1.025 289 A HN 0.909 nan 8.150 nan 0.000 0.490 290 G N 0.655 109.409 108.800 -0.075 0.000 3.444 290 G HA2 0.458 4.418 3.960 -0.001 0.000 0.315 290 G HA3 0.458 4.418 3.960 -0.001 0.000 0.315 290 G C -0.368 174.596 174.900 0.108 0.000 1.079 290 G CA -0.208 44.827 45.100 -0.109 0.000 1.500 290 G HN 0.619 nan 8.290 nan 0.000 0.518 291 V N 3.320 123.263 119.914 0.050 0.000 2.223 291 V HA 0.062 4.182 4.120 -0.001 0.000 0.249 291 V C 1.275 177.176 176.094 -0.321 0.000 1.233 291 V CA -0.196 61.794 62.300 -0.517 0.000 1.131 291 V CB -1.077 30.459 31.823 -0.479 0.000 1.298 291 V HN 0.915 nan 8.190 nan 0.000 0.498 292 H N 1.087 120.126 119.070 -0.052 0.000 2.535 292 H HA 0.068 4.624 4.556 -0.001 0.000 0.273 292 H C 0.709 176.208 175.328 0.285 0.000 0.983 292 H CA -0.386 55.764 56.048 0.170 0.000 1.238 292 H CB -0.178 29.703 29.762 0.199 0.000 1.412 292 H HN 0.641 nan 8.280 nan 0.000 0.562 293 W N 0.761 122.033 121.300 -0.046 0.000 2.184 293 W HA 0.378 5.038 4.660 -0.000 0.000 0.338 293 W C 0.059 176.656 176.519 0.130 0.000 1.257 293 W CA -1.026 56.386 57.345 0.112 0.000 1.243 293 W CB 0.888 30.371 29.460 0.037 0.000 1.122 293 W HN -0.000 nan 8.180 nan 0.000 0.585 294 Q N 0.248 120.239 119.800 0.318 0.000 2.452 294 Q HA -0.364 3.976 4.340 -0.001 0.000 0.248 294 Q C 0.665 176.705 176.000 0.067 0.000 0.874 294 Q CA 1.764 57.673 55.803 0.178 0.000 1.208 294 Q CB -2.818 25.968 28.738 0.079 0.000 1.569 294 Q HN 0.939 nan 8.270 nan 0.000 0.579 295 Y N 2.393 122.714 120.300 0.034 0.000 2.114 295 Y HA -0.190 4.360 4.550 -0.001 0.000 0.284 295 Y C 1.664 177.392 175.900 -0.286 0.000 1.143 295 Y CA 2.376 60.456 58.100 -0.033 0.000 1.135 295 Y CB 0.103 38.645 38.460 0.137 0.000 0.980 295 Y HN 0.443 nan 8.280 nan 0.000 0.499 296 N N 0.102 118.888 118.700 0.144 0.000 2.380 296 N HA -0.013 4.726 4.740 -0.001 0.000 0.255 296 N C -0.953 174.355 175.510 -0.336 0.000 1.158 296 N CA -0.115 52.911 53.050 -0.041 0.000 0.878 296 N CB -0.911 37.706 38.487 0.216 0.000 1.138 296 N HN 0.256 nan 8.380 nan 0.000 0.509 297 N N 2.615 120.981 118.700 -0.556 0.000 2.468 297 N HA 0.052 4.792 4.740 -0.001 0.000 0.265 297 N C -1.336 173.858 175.510 -0.528 0.000 1.199 297 N CA -1.030 51.413 53.050 -1.011 0.000 0.928 297 N CB 1.420 39.566 38.487 -0.568 0.000 1.059 297 N HN 0.101 nan 8.380 nan 0.000 0.467 298 P HA -0.091 nan 4.420 nan 0.000 0.221 298 P C 0.899 178.127 177.300 -0.121 0.000 1.150 298 P CA 1.354 64.337 63.100 -0.196 0.000 0.800 298 P CB 0.190 31.822 31.700 -0.114 0.000 0.787 299 T N -1.825 112.658 114.554 -0.118 0.000 3.033 299 T HA 0.117 4.467 4.350 -0.001 0.000 0.248 299 T C 1.363 176.042 174.700 -0.036 0.000 1.040 299 T CA 0.125 62.198 62.100 -0.045 0.000 1.133 299 T CB -0.637 68.224 68.868 -0.012 0.000 0.895 299 T HN 0.216 nan 8.240 nan 0.000 0.465 300 I N 0.274 120.792 120.570 -0.085 0.000 2.833 300 I HA 0.473 4.643 4.170 -0.001 0.000 0.286 300 I C -3.021 172.994 176.117 -0.171 0.000 1.287 300 I CA -2.922 58.329 61.300 -0.081 0.000 1.046 300 I CB 1.242 39.223 38.000 -0.032 0.000 1.612 300 I HN -0.191 nan 8.210 nan 0.000 0.585 301 P HA -0.047 nan 4.420 nan 0.000 0.263 301 P C -0.174 176.938 177.300 -0.313 0.000 1.195 301 P CA 0.811 63.698 63.100 -0.355 0.000 0.762 301 P CB 0.114 31.636 31.700 -0.296 0.000 0.799 302 H N 1.558 120.494 119.070 -0.222 0.000 2.770 302 H HA -0.143 4.413 4.556 -0.001 0.000 0.309 302 H C 1.507 176.736 175.328 -0.166 0.000 1.206 302 H CA 0.975 56.904 56.048 -0.197 0.000 1.147 302 H CB -2.182 27.451 29.762 -0.216 0.000 1.422 302 H HN 0.724 nan 8.280 nan 0.000 0.420 303 G N -0.504 108.245 108.800 -0.086 0.000 2.625 303 G HA2 0.099 4.058 3.960 -0.001 0.000 0.214 303 G HA3 0.099 4.058 3.960 -0.001 0.000 0.214 303 G C 1.464 176.298 174.900 -0.109 0.000 1.132 303 G CA 0.797 45.850 45.100 -0.079 0.000 0.782 303 G HN 0.596 nan 8.290 nan 0.000 0.538 304 A N 0.089 122.805 122.820 -0.173 0.000 2.055 304 A HA 0.357 4.677 4.320 -0.001 0.000 0.205 304 A C 1.927 179.345 177.584 -0.278 0.000 1.235 304 A CA 0.913 52.773 52.037 -0.294 0.000 0.822 304 A CB 0.178 18.707 19.000 -0.786 0.000 0.903 304 A HN 0.308 nan 8.150 nan 0.000 0.473 305 E N 0.651 120.742 120.200 -0.181 0.000 2.015 305 E HA -0.148 4.202 4.350 -0.001 0.000 0.191 305 E C 1.843 178.419 176.600 -0.040 0.000 0.991 305 E CA 1.352 57.721 56.400 -0.051 0.000 0.802 305 E CB -0.131 29.632 29.700 0.105 0.000 0.759 305 E HN 0.483 nan 8.360 nan 0.000 0.447 306 K N 0.080 120.470 120.400 -0.017 0.000 2.044 306 K HA -0.159 4.160 4.320 -0.001 0.000 0.210 306 K C -0.731 175.893 176.600 0.040 0.000 1.049 306 K CA 1.610 57.935 56.287 0.063 0.000 0.927 306 K CB -0.984 31.594 32.500 0.131 0.000 0.713 306 K HN 0.104 nan 8.250 nan 0.000 0.443 307 P HA -0.109 nan 4.420 nan 0.000 0.220 307 P C 0.784 178.095 177.300 0.019 0.000 1.148 307 P CA 1.266 64.053 63.100 -0.522 0.000 0.803 307 P CB 0.064 31.361 31.700 -0.671 0.000 0.782 308 A N -0.931 121.878 122.820 -0.018 0.000 2.119 308 A HA 0.283 4.603 4.320 -0.001 0.000 0.217 308 A C 1.814 179.371 177.584 -0.046 0.000 1.153 308 A CA 1.453 53.449 52.037 -0.067 0.000 0.692 308 A CB -1.203 17.630 19.000 -0.278 0.000 0.799 308 A HN 0.275 nan 8.150 nan 0.000 0.458 309 G N -3.116 105.760 108.800 0.127 0.000 2.192 309 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.193 309 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.193 309 G C -0.227 174.805 174.900 0.220 0.000 0.999 309 G CA 0.013 45.249 45.100 0.227 0.000 0.659 309 G HN 0.332 nan 8.290 nan 0.000 0.503 310 Y N 1.975 122.298 120.300 0.037 0.000 2.751 310 Y HA 0.464 5.014 4.550 -0.001 0.000 0.333 310 Y C 1.100 176.813 175.900 -0.311 0.000 1.122 310 Y CA -1.411 56.550 58.100 -0.232 0.000 1.367 310 Y CB 0.077 38.351 38.460 -0.309 0.000 1.242 310 Y HN 0.315 nan 8.280 nan 0.000 0.505 311 N N 0.956 119.615 118.700 -0.069 0.000 2.510 311 N HA -0.078 4.662 4.740 -0.001 0.000 0.186 311 N C -0.728 174.685 175.510 -0.162 0.000 1.051 311 N CA 0.427 53.428 53.050 -0.082 0.000 0.877 311 N CB 0.637 39.154 38.487 0.050 0.000 1.183 311 N HN 0.405 nan 8.380 nan 0.000 0.443 312 D N -0.170 120.137 120.400 -0.154 0.000 2.346 312 D HA 0.130 4.769 4.640 -0.001 0.000 0.255 312 D C 0.106 176.369 176.300 -0.061 0.000 1.276 312 D CA -0.570 53.385 54.000 -0.075 0.000 0.941 312 D CB 0.088 40.899 40.800 0.018 0.000 1.199 312 D HN 0.062 nan 8.370 nan 0.000 0.537 313 Y N 1.268 121.568 120.300 0.000 0.000 2.256 313 Y HA -0.205 4.344 4.550 -0.001 0.000 0.288 313 Y C 2.597 178.480 175.900 -0.029 0.000 1.155 313 Y CA 1.350 59.414 58.100 -0.059 0.000 1.203 313 Y CB 0.019 38.401 38.460 -0.131 0.000 0.980 313 Y HN 0.326 nan 8.280 nan 0.000 0.530 314 S N -0.881 114.912 115.700 0.156 0.000 2.345 314 S HA -0.280 4.189 4.470 -0.001 0.000 0.220 314 S C 1.893 176.566 174.600 0.122 0.000 1.031 314 S CA 1.649 59.916 58.200 0.111 0.000 0.996 314 S CB -0.464 62.800 63.200 0.106 0.000 0.882 314 S HN 0.621 nan 8.310 nan 0.000 0.445 315 H N 0.181 119.284 119.070 0.055 0.000 2.387 315 H HA 0.024 4.580 4.556 -0.001 0.000 0.299 315 H C 1.900 177.274 175.328 0.076 0.000 1.090 315 H CA 1.668 57.752 56.048 0.061 0.000 1.332 315 H CB -0.304 29.491 29.762 0.056 0.000 1.386 315 H HN 0.341 nan 8.280 nan 0.000 0.516 316 L N -0.089 121.227 121.223 0.156 0.000 2.027 316 L HA -0.092 4.248 4.340 -0.001 0.000 0.206 316 L C 1.942 178.915 176.870 0.173 0.000 1.074 316 L CA 1.451 56.378 54.840 0.145 0.000 0.745 316 L CB -0.499 41.617 42.059 0.094 0.000 0.898 316 L HN 0.343 nan 8.230 nan 0.000 0.433 317 L N -0.712 120.565 121.223 0.090 0.000 2.141 317 L HA -0.183 4.156 4.340 -0.001 0.000 0.209 317 L C 2.142 179.090 176.870 0.130 0.000 1.094 317 L CA 0.914 55.791 54.840 0.062 0.000 0.763 317 L CB -0.852 41.184 42.059 -0.039 0.000 0.908 317 L HN 0.286 nan 8.230 nan 0.000 0.437 318 D N 0.518 120.952 120.400 0.056 0.000 2.149 318 D HA -0.190 4.449 4.640 -0.001 0.000 0.198 318 D C 2.214 178.536 176.300 0.037 0.000 0.990 318 D CA 1.544 55.550 54.000 0.010 0.000 0.839 318 D CB 0.045 40.785 40.800 -0.100 0.000 0.948 318 D HN 0.329 nan 8.370 nan 0.000 0.460 319 A N -0.214 122.644 122.820 0.064 0.000 1.969 319 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 319 A C 1.978 179.599 177.584 0.062 0.000 1.169 319 A CA 0.768 52.833 52.037 0.047 0.000 0.635 319 A CB -0.775 18.253 19.000 0.047 0.000 0.810 319 A HN 0.131 nan 8.150 nan 0.000 0.445 320 F N -0.049 119.905 119.950 0.007 0.000 2.186 320 F HA -0.052 4.474 4.527 -0.001 0.000 0.299 320 F C 2.257 178.072 175.800 0.025 0.000 1.090 320 F CA 1.785 59.800 58.000 0.026 0.000 1.307 320 F CB -0.087 38.930 39.000 0.028 0.000 1.019 320 F HN 0.119 nan 8.300 nan 0.000 0.489 321 K N 0.727 121.239 120.400 0.187 0.000 2.025 321 K HA -0.135 4.184 4.320 -0.001 0.000 0.207 321 K C 2.343 178.976 176.600 0.056 0.000 1.049 321 K CA 1.805 58.153 56.287 0.102 0.000 0.933 321 K CB -0.723 31.816 32.500 0.066 0.000 0.714 321 K HN 0.201 nan 8.250 nan 0.000 0.438 322 S N -0.255 115.466 115.700 0.036 0.000 2.382 322 S HA -0.086 4.384 4.470 -0.001 0.000 0.228 322 S C 2.051 176.654 174.600 0.006 0.000 1.027 322 S CA 1.085 59.291 58.200 0.010 0.000 0.991 322 S CB -0.460 62.739 63.200 -0.002 0.000 0.823 322 S HN 0.303 nan 8.310 nan 0.000 0.469 323 A N 1.033 123.856 122.820 0.005 0.000 2.238 323 A HA 0.323 4.643 4.320 -0.001 0.000 0.208 323 A C 0.831 178.477 177.584 0.105 0.000 1.177 323 A CA 0.226 52.273 52.037 0.017 0.000 0.804 323 A CB -0.615 18.345 19.000 -0.067 0.000 0.823 323 A HN 0.571 nan 8.150 nan 0.000 0.482 324 K N -1.210 119.243 120.400 0.088 0.000 3.239 324 K HA -0.144 4.176 4.320 -0.001 0.000 0.270 324 K C -1.083 175.671 176.600 0.256 0.000 1.049 324 K CA 0.570 56.939 56.287 0.136 0.000 0.769 324 K CB -1.955 30.536 32.500 -0.014 0.000 1.305 324 K HN 0.502 nan 8.250 nan 0.000 0.469 325 L N 0.835 122.155 121.223 0.161 0.000 2.362 325 L HA 0.367 4.706 4.340 -0.001 0.000 0.275 325 L C 0.228 177.258 176.870 0.267 0.000 0.998 325 L CA -1.181 53.744 54.840 0.142 0.000 0.820 325 L CB 1.543 43.580 42.059 -0.037 0.000 1.270 325 L HN 0.018 nan 8.230 nan 0.000 0.415 326 D N 1.523 122.039 120.400 0.194 0.000 2.362 326 D HA 0.238 4.877 4.640 -0.001 0.000 0.242 326 D C -0.424 176.041 176.300 0.276 0.000 1.132 326 D CA 0.035 54.140 54.000 0.175 0.000 0.907 326 D CB 2.331 43.178 40.800 0.079 0.000 1.195 326 D HN 0.074 nan 8.370 nan 0.000 0.429 327 V N 1.401 121.407 119.914 0.154 0.000 2.513 327 V HA 0.445 4.565 4.120 -0.001 0.000 0.299 327 V C -0.557 175.604 176.094 0.111 0.000 1.035 327 V CA -0.167 62.161 62.300 0.046 0.000 0.889 327 V CB 1.854 33.483 31.823 -0.324 0.000 0.988 327 V HN 0.537 nan 8.190 nan 0.000 0.440 328 T N 7.568 122.235 114.554 0.188 0.000 2.807 328 T HA 0.573 4.922 4.350 -0.001 0.000 0.279 328 T C -1.082 173.777 174.700 0.265 0.000 0.993 328 T CA -0.021 62.230 62.100 0.253 0.000 0.970 328 T CB 1.066 70.100 68.868 0.276 0.000 0.950 328 T HN 0.527 nan 8.240 nan 0.000 0.441 329 F N 1.388 121.424 119.950 0.144 0.000 2.579 329 F HA 0.727 5.253 4.527 -0.001 0.000 0.324 329 F C 0.428 176.324 175.800 0.160 0.000 1.058 329 F CA -0.483 57.590 58.000 0.121 0.000 0.944 329 F CB 2.225 41.285 39.000 0.100 0.000 1.245 329 F HN 0.522 nan 8.300 nan 0.000 0.477 330 T N 0.203 114.395 114.554 -0.604 0.000 2.762 330 T HA 0.412 4.762 4.350 -0.001 0.000 0.272 330 T C -0.442 174.106 174.700 -0.255 0.000 0.982 330 T CA 0.124 62.048 62.100 -0.294 0.000 1.013 330 T CB 0.714 69.442 68.868 -0.233 0.000 1.309 330 T HN 0.894 nan 8.240 nan 0.000 0.572 331 C N 1.123 120.369 119.300 -0.091 0.000 4.549 331 C HA -0.087 4.373 4.460 -0.001 0.000 0.290 331 C C 1.821 176.799 174.990 -0.020 0.000 1.328 331 C CA 0.011 58.998 59.018 -0.052 0.000 2.002 331 C CB -3.046 24.660 27.740 -0.057 0.000 1.238 331 C HN 0.763 nan 8.230 nan 0.000 0.780 332 L N 1.048 122.273 121.223 0.003 0.000 2.217 332 L HA -0.079 4.261 4.340 -0.001 0.000 0.211 332 L C 2.538 179.351 176.870 -0.095 0.000 1.107 332 L CA 2.141 56.937 54.840 -0.073 0.000 0.783 332 L CB -0.398 41.582 42.059 -0.132 0.000 0.919 332 L HN 0.710 nan 8.230 nan 0.000 0.442 333 E N 0.229 120.404 120.200 -0.042 0.000 2.476 333 E HA 0.016 4.366 4.350 -0.001 0.000 0.191 333 E C 0.572 177.135 176.600 -0.061 0.000 1.064 333 E CA 0.017 56.389 56.400 -0.047 0.000 0.866 333 E CB 0.170 29.874 29.700 0.007 0.000 0.952 333 E HN 0.380 nan 8.360 nan 0.000 0.492 334 M N 0.908 120.460 119.600 -0.081 0.000 2.573 334 M HA 0.325 4.804 4.480 -0.001 0.000 0.309 334 M C 0.056 176.304 176.300 -0.087 0.000 1.202 334 M CA -0.621 54.616 55.300 -0.104 0.000 0.975 334 M CB 2.002 34.494 32.600 -0.181 0.000 1.600 334 M HN -0.088 nan 8.290 nan 0.000 0.479 335 T N -2.879 111.628 114.554 -0.079 0.000 2.924 335 T HA 0.447 4.797 4.350 -0.001 0.000 0.291 335 T C -0.696 173.973 174.700 -0.051 0.000 1.045 335 T CA -1.161 60.908 62.100 -0.052 0.000 1.015 335 T CB 1.332 70.183 68.868 -0.028 0.000 1.103 335 T HN 0.424 nan 8.240 nan 0.000 0.496 336 D N 0.825 121.204 120.400 -0.035 0.000 2.399 336 D HA 0.302 4.942 4.640 -0.001 0.000 0.241 336 D C 0.706 177.010 176.300 0.007 0.000 1.133 336 D CA -0.144 53.842 54.000 -0.022 0.000 0.890 336 D CB 1.520 42.309 40.800 -0.019 0.000 1.201 336 D HN 0.629 nan 8.370 nan 0.000 0.432 337 K N -0.002 120.418 120.400 0.032 0.000 2.524 337 K HA 0.227 4.547 4.320 -0.001 0.000 0.210 337 K C 1.059 177.699 176.600 0.067 0.000 1.340 337 K CA 0.084 56.397 56.287 0.044 0.000 0.880 337 K CB 0.164 32.694 32.500 0.051 0.000 1.616 337 K HN 0.458 nan 8.250 nan 0.000 0.457 338 G N 2.720 111.585 108.800 0.109 0.000 2.258 338 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.274 338 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.274 338 G C -0.052 174.935 174.900 0.146 0.000 1.021 338 G CA 0.785 45.995 45.100 0.184 0.000 0.798 338 G HN 0.423 nan 8.290 nan 0.000 0.507 339 S N -1.194 114.491 115.700 -0.025 0.000 2.621 339 S HA 0.680 5.150 4.470 -0.001 0.000 0.302 339 S C -0.092 174.201 174.600 -0.511 0.000 1.093 339 S CA -0.910 57.208 58.200 -0.136 0.000 1.017 339 S CB 2.109 65.280 63.200 -0.047 0.000 1.077 339 S HN 1.151 nan 8.310 nan 0.000 0.517 340 Y N 3.284 123.190 120.300 -0.657 0.000 2.578 340 Y HA 0.325 4.875 4.550 -0.001 0.000 0.339 340 Y C -1.443 174.237 175.900 -0.366 0.000 1.231 340 Y CA -1.067 56.590 58.100 -0.737 0.000 1.461 340 Y CB 0.760 39.045 38.460 -0.292 0.000 1.323 340 Y HN 0.581 nan 8.280 nan 0.000 0.590 341 P HA 0.068 nan 4.420 nan 0.000 0.257 341 P C 0.047 176.960 177.300 -0.645 0.000 1.241 341 P CA 0.696 62.958 63.100 -1.397 0.000 0.816 341 P CB 0.555 31.410 31.700 -1.408 0.000 1.150 342 E N -0.377 119.531 120.200 -0.485 0.000 2.112 342 E HA -0.080 4.270 4.350 -0.001 0.000 0.190 342 E C -0.024 176.612 176.600 0.060 0.000 0.979 342 E CA 0.391 56.659 56.400 -0.220 0.000 0.814 342 E CB -1.005 28.602 29.700 -0.155 0.000 0.762 342 E HN 0.160 nan 8.360 nan 0.000 0.460 343 Y N 0.571 120.909 120.300 0.064 0.000 3.305 343 Y HA -0.261 4.289 4.550 -0.001 0.000 0.212 343 Y C 0.052 176.076 175.900 0.207 0.000 1.248 343 Y CA 0.322 58.497 58.100 0.125 0.000 1.359 343 Y CB -2.002 36.521 38.460 0.104 0.000 1.407 343 Y HN -0.042 nan 8.280 nan 0.000 0.572 344 S N 1.482 117.370 115.700 0.312 0.000 2.448 344 S HA 0.503 4.973 4.470 -0.001 0.000 0.279 344 S C 0.356 175.085 174.600 0.215 0.000 1.195 344 S CA -0.655 57.784 58.200 0.398 0.000 1.051 344 S CB 0.204 63.702 63.200 0.496 0.000 0.948 344 S HN 0.304 nan 8.310 nan 0.000 0.493 345 M N 7.254 126.926 119.600 0.119 0.000 3.003 345 M HA 0.286 4.766 4.480 -0.001 0.000 0.221 345 M C -2.299 173.889 176.300 -0.185 0.000 1.126 345 M CA -2.198 53.008 55.300 -0.156 0.000 0.778 345 M CB 0.255 32.525 32.600 -0.550 0.000 1.380 345 M HN 0.342 nan 8.290 nan 0.000 0.508 346 P HA -0.164 nan 4.420 nan 0.000 0.213 346 P C 1.577 178.838 177.300 -0.066 0.000 1.170 346 P CA 1.488 64.534 63.100 -0.090 0.000 0.898 346 P CB 0.275 31.815 31.700 -0.267 0.000 0.787 347 K N -0.941 119.404 120.400 -0.092 0.000 2.057 347 K HA -0.125 4.195 4.320 -0.001 0.000 0.207 347 K C 1.922 178.456 176.600 -0.109 0.000 1.049 347 K CA 1.897 58.134 56.287 -0.084 0.000 0.931 347 K CB -0.661 31.800 32.500 -0.063 0.000 0.714 347 K HN 0.018 nan 8.250 nan 0.000 0.440 348 T N 1.915 116.384 114.554 -0.142 0.000 2.746 348 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 348 T C 1.705 176.315 174.700 -0.150 0.000 1.039 348 T CA 1.078 63.091 62.100 -0.146 0.000 1.142 348 T CB -0.110 68.636 68.868 -0.203 0.000 0.866 348 T HN 0.182 nan 8.240 nan 0.000 0.444 349 L N 0.874 121.982 121.223 -0.191 0.000 1.989 349 L HA -0.143 4.197 4.340 -0.001 0.000 0.211 349 L C 2.595 179.348 176.870 -0.195 0.000 1.071 349 L CA 1.449 56.231 54.840 -0.096 0.000 0.749 349 L CB -0.515 41.593 42.059 0.081 0.000 0.890 349 L HN 0.161 nan 8.230 nan 0.000 0.431 350 V N -0.287 119.593 119.914 -0.057 0.000 2.282 350 V HA -0.370 3.749 4.120 -0.001 0.000 0.249 350 V C 2.427 178.371 176.094 -0.251 0.000 1.057 350 V CA 2.023 64.272 62.300 -0.086 0.000 1.032 350 V CB -0.744 31.127 31.823 0.080 0.000 0.645 350 V HN 0.552 nan 8.190 nan 0.000 0.447 351 Q N 0.014 119.649 119.800 -0.275 0.000 2.084 351 Q HA -0.231 4.109 4.340 -0.001 0.000 0.202 351 Q C 2.146 178.049 176.000 -0.162 0.000 0.978 351 Q CA 2.041 57.654 55.803 -0.317 0.000 0.844 351 Q CB -0.357 28.266 28.738 -0.191 0.000 0.898 351 Q HN 0.764 nan 8.270 nan 0.000 0.426 352 N N 0.179 118.785 118.700 -0.158 0.000 2.084 352 N HA -0.141 4.598 4.740 -0.001 0.000 0.190 352 N C 1.735 177.101 175.510 -0.240 0.000 1.030 352 N CA 0.836 53.803 53.050 -0.137 0.000 0.849 352 N CB 0.025 38.449 38.487 -0.105 0.000 1.012 352 N HN 0.122 nan 8.380 nan 0.000 0.423 353 I N 1.583 121.889 120.570 -0.440 0.000 2.179 353 I HA -0.193 3.977 4.170 -0.001 0.000 0.242 353 I C 2.565 178.465 176.117 -0.362 0.000 1.088 353 I CA 0.927 61.895 61.300 -0.555 0.000 1.357 353 I CB -1.648 35.717 38.000 -1.058 0.000 1.051 353 I HN 0.102 nan 8.210 nan 0.000 0.409 354 A N 0.431 123.072 122.820 -0.298 0.000 1.908 354 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 354 A C 2.452 179.978 177.584 -0.096 0.000 1.181 354 A CA 2.585 54.496 52.037 -0.210 0.000 0.627 354 A CB -1.134 17.822 19.000 -0.073 0.000 0.818 354 A HN 0.440 nan 8.150 nan 0.000 0.445 355 T N 0.413 114.946 114.554 -0.035 0.000 2.708 355 T HA -0.082 4.268 4.350 -0.001 0.000 0.266 355 T C 1.805 176.488 174.700 -0.028 0.000 1.037 355 T CA 1.311 63.419 62.100 0.014 0.000 1.146 355 T CB -0.257 68.638 68.868 0.045 0.000 0.865 355 T HN 0.220 nan 8.240 nan 0.000 0.435 356 L N 1.083 122.267 121.223 -0.066 0.000 2.046 356 L HA -0.048 4.292 4.340 -0.001 0.000 0.208 356 L C 2.972 179.801 176.870 -0.068 0.000 1.077 356 L CA 1.913 56.719 54.840 -0.057 0.000 0.747 356 L CB -1.706 40.312 42.059 -0.069 0.000 0.896 356 L HN 0.266 nan 8.230 nan 0.000 0.432 357 A N -0.165 122.584 122.820 -0.118 0.000 1.933 357 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 357 A C 2.087 179.622 177.584 -0.081 0.000 1.175 357 A CA 1.611 53.575 52.037 -0.121 0.000 0.628 357 A CB -0.434 18.450 19.000 -0.194 0.000 0.814 357 A HN 0.446 nan 8.150 nan 0.000 0.444 358 N N 0.285 118.942 118.700 -0.072 0.000 2.171 358 N HA -0.141 4.598 4.740 -0.001 0.000 0.184 358 N C 1.691 177.193 175.510 -0.014 0.000 1.021 358 N CA 1.605 54.632 53.050 -0.039 0.000 0.854 358 N CB -0.409 38.066 38.487 -0.021 0.000 0.994 358 N HN 0.860 nan 8.380 nan 0.000 0.426 359 E N 0.602 120.798 120.200 -0.007 0.000 2.418 359 E HA -0.051 4.299 4.350 -0.001 0.000 0.197 359 E C 1.002 177.604 176.600 0.004 0.000 1.026 359 E CA 0.841 57.244 56.400 0.006 0.000 0.862 359 E CB -0.021 29.688 29.700 0.014 0.000 0.799 359 E HN 0.221 nan 8.360 nan 0.000 0.518 360 K N -0.058 120.340 120.400 -0.004 0.000 2.353 360 K HA 0.149 4.469 4.320 -0.001 0.000 0.195 360 K C 0.848 177.450 176.600 0.004 0.000 1.031 360 K CA 0.392 56.681 56.287 0.002 0.000 1.079 360 K CB 0.821 33.321 32.500 0.001 0.000 0.857 360 K HN 0.270 nan 8.250 nan 0.000 0.535 361 G N 2.263 111.062 108.800 -0.002 0.000 2.160 361 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.244 361 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.244 361 G C -0.005 174.897 174.900 0.004 0.000 1.022 361 G CA -0.147 44.953 45.100 0.001 0.000 0.741 361 G HN 0.218 nan 8.290 nan 0.000 0.508 362 I N 0.710 121.277 120.570 -0.006 0.000 2.365 362 I HA 0.298 4.468 4.170 -0.001 0.000 0.291 362 I C 1.076 177.183 176.117 -0.018 0.000 1.004 362 I CA -1.051 60.251 61.300 0.003 0.000 1.311 362 I CB 1.581 39.580 38.000 -0.002 0.000 1.401 362 I HN -0.126 nan 8.210 nan 0.000 0.491 363 V N 7.074 126.993 119.914 0.008 0.000 2.529 363 V HA -0.007 4.113 4.120 -0.001 0.000 0.292 363 V C 0.052 176.136 176.094 -0.018 0.000 1.028 363 V CA -0.004 62.298 62.300 0.003 0.000 1.074 363 V CB 0.985 32.827 31.823 0.030 0.000 0.958 363 V HN 0.358 nan 8.190 nan 0.000 0.481 364 L N 6.403 127.583 121.223 -0.072 0.000 2.313 364 L HA 0.600 4.939 4.340 -0.001 0.000 0.283 364 L C -0.318 176.545 176.870 -0.013 0.000 1.013 364 L CA 0.193 54.937 54.840 -0.160 0.000 0.816 364 L CB 1.487 43.264 42.059 -0.471 0.000 1.236 364 L HN 0.722 nan 8.230 nan 0.000 0.419 365 N N 2.251 121.053 118.700 0.169 0.000 2.380 365 N HA 0.905 5.645 4.740 -0.001 0.000 0.290 365 N C -0.818 175.057 175.510 0.608 0.000 1.236 365 N CA -0.551 52.748 53.050 0.415 0.000 0.780 365 N CB 2.095 40.794 38.487 0.353 0.000 1.438 365 N HN 0.752 nan 8.380 nan 0.000 0.491 366 G N -0.849 108.319 108.800 0.614 0.000 2.694 366 G HA2 0.683 4.643 3.960 -0.001 0.000 0.290 366 G HA3 0.683 4.643 3.960 -0.001 0.000 0.290 366 G C -1.739 173.324 174.900 0.271 0.000 1.386 366 G CA -0.636 44.751 45.100 0.478 0.000 0.872 366 G HN 0.661 nan 8.290 nan 0.000 0.475 367 E N -0.649 119.667 120.200 0.192 0.000 2.430 367 E HA 0.353 4.703 4.350 -0.001 0.000 0.279 367 E C -1.144 175.579 176.600 0.206 0.000 1.003 367 E CA -1.160 55.244 56.400 0.006 0.000 0.801 367 E CB 1.568 31.208 29.700 -0.101 0.000 1.313 367 E HN 0.530 nan 8.360 nan 0.000 0.459 368 N N 0.426 119.278 118.700 0.254 0.000 2.518 368 N HA 0.225 4.965 4.740 -0.001 0.000 0.283 368 N C 0.279 175.843 175.510 0.090 0.000 1.119 368 N CA 0.084 53.268 53.050 0.223 0.000 0.983 368 N CB 1.805 40.479 38.487 0.312 0.000 1.139 368 N HN 0.605 nan 8.380 nan 0.000 0.465 369 A N 2.565 125.414 122.820 0.047 0.000 1.929 369 A HA 0.132 4.452 4.320 -0.001 0.000 0.216 369 A C 0.937 178.536 177.584 0.026 0.000 1.176 369 A CA 0.675 52.727 52.037 0.025 0.000 0.628 369 A CB -0.121 18.891 19.000 0.020 0.000 0.816 369 A HN 0.676 nan 8.150 nan 0.000 0.444 370 L N -0.872 120.365 121.223 0.024 0.000 2.371 370 L HA 0.351 4.690 4.340 -0.001 0.000 0.262 370 L C -0.202 176.691 176.870 0.038 0.000 1.006 370 L CA -0.870 53.980 54.840 0.016 0.000 0.818 370 L CB 2.184 44.232 42.059 -0.018 0.000 1.354 370 L HN -0.025 nan 8.230 nan 0.000 0.415 371 S N 2.279 118.001 115.700 0.037 0.000 2.573 371 S HA 0.139 4.609 4.470 -0.001 0.000 0.297 371 S C -0.030 174.589 174.600 0.031 0.000 1.280 371 S CA -0.238 57.993 58.200 0.051 0.000 1.061 371 S CB -0.014 63.211 63.200 0.041 0.000 0.812 371 S HN 0.184 nan 8.310 nan 0.000 0.500 372 I N 3.289 123.886 120.570 0.044 0.000 2.312 372 I HA 0.210 4.380 4.170 -0.001 0.000 0.291 372 I C 1.404 177.461 176.117 -0.100 0.000 1.031 372 I CA -0.094 61.172 61.300 -0.057 0.000 1.293 372 I CB 0.240 38.171 38.000 -0.115 0.000 1.403 372 I HN 0.849 nan 8.210 nan 0.000 0.484 373 G N 6.063 114.798 108.800 -0.109 0.000 2.719 373 G HA2 0.003 3.963 3.960 -0.001 0.000 0.211 373 G HA3 0.003 3.963 3.960 -0.001 0.000 0.211 373 G C 0.354 175.186 174.900 -0.115 0.000 1.140 373 G CA 0.013 45.066 45.100 -0.078 0.000 0.790 373 G HN 0.695 nan 8.290 nan 0.000 0.529 374 N N -1.602 116.981 118.700 -0.195 0.000 2.494 374 N HA 0.239 4.979 4.740 -0.001 0.000 0.270 374 N C 0.707 176.036 175.510 -0.302 0.000 1.285 374 N CA -0.345 52.596 53.050 -0.181 0.000 0.812 374 N CB 0.958 39.392 38.487 -0.089 0.000 1.557 374 N HN 0.072 nan 8.380 nan 0.000 0.487 375 E N -0.423 119.674 120.200 -0.171 0.000 2.267 375 E HA -0.263 4.086 4.350 -0.001 0.000 0.197 375 E C 0.486 177.068 176.600 -0.030 0.000 0.998 375 E CA 1.053 57.416 56.400 -0.063 0.000 0.830 375 E CB -0.165 29.590 29.700 0.092 0.000 0.751 375 E HN 0.559 nan 8.360 nan 0.000 0.491 376 E N 1.324 121.492 120.200 -0.053 0.000 2.153 376 E HA -0.182 4.167 4.350 -0.001 0.000 0.194 376 E C 1.821 178.398 176.600 -0.038 0.000 0.988 376 E CA 1.245 57.629 56.400 -0.027 0.000 0.811 376 E CB -0.077 29.607 29.700 -0.027 0.000 0.746 376 E HN 0.582 nan 8.360 nan 0.000 0.466 377 E N -0.460 119.684 120.200 -0.093 0.000 2.152 377 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 377 E C 1.800 178.394 176.600 -0.010 0.000 0.983 377 E CA 0.462 56.813 56.400 -0.080 0.000 0.818 377 E CB -0.113 29.514 29.700 -0.122 0.000 0.758 377 E HN 0.248 nan 8.360 nan 0.000 0.467 378 Y N 1.440 121.717 120.300 -0.039 0.000 2.242 378 Y HA -0.108 4.442 4.550 -0.000 0.000 0.291 378 Y C 1.975 177.786 175.900 -0.148 0.000 1.137 378 Y CA 0.696 58.742 58.100 -0.090 0.000 1.181 378 Y CB -0.258 38.175 38.460 -0.045 0.000 0.989 378 Y HN -0.081 nan 8.280 nan 0.000 0.527 379 K N -0.226 120.217 120.400 0.072 0.000 2.097 379 K HA -0.153 4.167 4.320 -0.001 0.000 0.206 379 K C 2.180 178.757 176.600 -0.039 0.000 1.049 379 K CA 1.183 57.475 56.287 0.008 0.000 0.933 379 K CB -0.107 32.407 32.500 0.023 0.000 0.717 379 K HN 0.275 nan 8.250 nan 0.000 0.442 380 R N 0.377 120.849 120.500 -0.046 0.000 2.073 380 R HA -0.050 4.290 4.340 -0.001 0.000 0.229 380 R C 2.328 178.536 176.300 -0.153 0.000 1.120 380 R CA 1.004 57.062 56.100 -0.069 0.000 0.967 380 R CB -0.438 29.830 30.300 -0.054 0.000 0.862 380 R HN 0.004 nan 8.270 nan 0.000 0.436 381 V N 1.450 121.237 119.914 -0.211 0.000 2.287 381 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 381 V C 2.554 178.313 176.094 -0.558 0.000 1.053 381 V CA 2.040 64.091 62.300 -0.414 0.000 1.027 381 V CB -0.804 30.676 31.823 -0.572 0.000 0.646 381 V HN 0.382 nan 8.190 nan 0.000 0.447 382 A N -0.477 122.064 122.820 -0.465 0.000 1.908 382 A HA -0.293 4.027 4.320 -0.001 0.000 0.218 382 A C 2.325 179.690 177.584 -0.364 0.000 1.181 382 A CA 2.059 53.789 52.037 -0.512 0.000 0.627 382 A CB -0.560 18.358 19.000 -0.137 0.000 0.818 382 A HN 0.632 nan 8.150 nan 0.000 0.445 383 E N -0.989 119.096 120.200 -0.191 0.000 2.085 383 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 383 E C 1.942 178.460 176.600 -0.136 0.000 0.994 383 E CA 1.584 57.915 56.400 -0.114 0.000 0.801 383 E CB -0.164 29.534 29.700 -0.004 0.000 0.743 383 E HN 0.471 nan 8.360 nan 0.000 0.453 384 M N 0.387 119.883 119.600 -0.173 0.000 2.123 384 M HA -0.037 4.443 4.480 -0.001 0.000 0.263 384 M C 2.456 178.630 176.300 -0.209 0.000 1.069 384 M CA 1.430 56.659 55.300 -0.118 0.000 1.133 384 M CB -1.374 31.043 32.600 -0.305 0.000 1.356 384 M HN 0.189 nan 8.290 nan 0.000 0.415 385 A N -0.131 122.328 122.820 -0.601 0.000 1.858 385 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 385 A C 1.978 179.346 177.584 -0.360 0.000 1.190 385 A CA 1.480 53.116 52.037 -0.668 0.000 0.617 385 A CB -1.173 17.212 19.000 -1.026 0.000 0.827 385 A HN 0.471 nan 8.150 nan 0.000 0.443 386 F N -0.486 119.332 119.950 -0.220 0.000 2.811 386 F HA 0.067 4.593 4.527 -0.001 0.000 0.301 386 F C 1.839 177.505 175.800 -0.223 0.000 1.151 386 F CA 0.185 58.041 58.000 -0.241 0.000 1.412 386 F CB 0.106 38.912 39.000 -0.324 0.000 1.113 386 F HN 0.229 nan 8.300 nan 0.000 0.579 387 N N -1.559 117.067 118.700 -0.124 0.000 2.210 387 N HA 0.038 4.778 4.740 -0.001 0.000 0.203 387 N C 0.045 175.280 175.510 -0.458 0.000 1.175 387 N CA 0.375 53.172 53.050 -0.422 0.000 0.894 387 N CB 0.419 38.273 38.487 -1.055 0.000 1.041 387 N HN 0.284 nan 8.380 nan 0.000 0.506 388 Y N 0.605 120.939 120.300 0.056 0.000 2.696 388 Y HA 0.252 4.801 4.550 -0.001 0.000 0.260 388 Y C 0.256 176.227 175.900 0.117 0.000 1.165 388 Y CA -0.582 57.604 58.100 0.143 0.000 1.189 388 Y CB 0.010 38.637 38.460 0.278 0.000 1.180 388 Y HN -0.118 nan 8.280 nan 0.000 0.538 389 N N 0.330 119.148 118.700 0.197 0.000 2.740 389 N HA -0.237 4.502 4.740 -0.001 0.000 0.248 389 N C -1.178 174.410 175.510 0.130 0.000 1.062 389 N CA 0.235 53.362 53.050 0.129 0.000 0.704 389 N CB -1.561 36.950 38.487 0.039 0.000 0.968 389 N HN 0.182 nan 8.380 nan 0.000 0.547 390 F N -0.043 119.972 119.950 0.108 0.000 2.467 390 F HA 0.390 4.917 4.527 -0.001 0.000 0.362 390 F C 1.728 177.655 175.800 0.212 0.000 1.090 390 F CA 0.192 58.280 58.000 0.147 0.000 1.202 390 F CB 0.750 39.838 39.000 0.146 0.000 1.113 390 F HN 0.220 nan 8.300 nan 0.000 0.541 391 A N 2.892 125.882 122.820 0.284 0.000 2.167 391 A HA 0.471 4.790 4.320 -0.001 0.000 0.214 391 A C 1.030 178.717 177.584 0.172 0.000 1.151 391 A CA 0.985 53.152 52.037 0.216 0.000 0.735 391 A CB -0.652 18.419 19.000 0.120 0.000 0.802 391 A HN 0.880 nan 8.150 nan 0.000 0.467 392 G N -2.114 106.840 108.800 0.257 0.000 2.579 392 G HA2 0.457 4.416 3.960 -0.001 0.000 0.292 392 G HA3 0.457 4.416 3.960 -0.001 0.000 0.292 392 G C -1.625 173.432 174.900 0.262 0.000 1.484 392 G CA -0.486 44.624 45.100 0.016 0.000 0.813 392 G HN 0.513 nan 8.290 nan 0.000 0.515 393 F N 1.098 121.010 119.950 -0.065 0.000 2.561 393 F HA 0.745 5.272 4.527 -0.001 0.000 0.313 393 F C -0.452 175.446 175.800 0.163 0.000 1.126 393 F CA -0.566 57.500 58.000 0.110 0.000 0.918 393 F CB 2.436 41.505 39.000 0.115 0.000 1.199 393 F HN 0.465 nan 8.300 nan 0.000 0.444 394 T N 7.185 121.316 114.554 -0.706 0.000 2.771 394 T HA 0.469 4.818 4.350 -0.001 0.000 0.281 394 T C -1.095 173.075 174.700 -0.883 0.000 0.982 394 T CA -0.422 61.420 62.100 -0.431 0.000 0.978 394 T CB 1.276 70.113 68.868 -0.052 0.000 0.930 394 T HN 0.595 nan 8.240 nan 0.000 0.447 395 L N 4.660 125.661 121.223 -0.371 0.000 2.265 395 L HA 0.573 4.913 4.340 -0.001 0.000 0.288 395 L C -0.714 176.134 176.870 -0.037 0.000 1.058 395 L CA -0.558 54.219 54.840 -0.104 0.000 0.809 395 L CB 0.545 42.698 42.059 0.157 0.000 1.179 395 L HN 0.646 nan 8.230 nan 0.000 0.429 396 L N 6.740 127.971 121.223 0.014 0.000 2.265 396 L HA 0.619 4.959 4.340 -0.001 0.000 0.289 396 L C -0.470 176.443 176.870 0.072 0.000 1.033 396 L CA -0.229 54.627 54.840 0.028 0.000 0.814 396 L CB 0.348 42.420 42.059 0.022 0.000 1.203 396 L HN 0.871 nan 8.230 nan 0.000 0.423 397 R N 2.697 123.232 120.500 0.058 0.000 2.781 397 R HA 0.142 4.481 4.340 -0.001 0.000 0.269 397 R C 0.167 176.490 176.300 0.040 0.000 1.025 397 R CA -0.581 55.547 56.100 0.045 0.000 0.914 397 R CB 0.969 31.306 30.300 0.063 0.000 1.236 397 R HN 0.562 nan 8.270 nan 0.000 0.465 398 Y N 1.711 121.942 120.300 -0.115 0.000 1.876 398 Y HA -0.491 4.058 4.550 -0.001 0.000 0.218 398 Y C 2.382 178.141 175.900 -0.234 0.000 1.157 398 Y CA 3.137 61.132 58.100 -0.175 0.000 1.004 398 Y CB -0.071 38.330 38.460 -0.097 0.000 0.825 398 Y HN 0.657 nan 8.280 nan 0.000 0.532 399 Q N -0.376 119.455 119.800 0.053 0.000 2.308 399 Q HA -0.221 4.119 4.340 -0.001 0.000 0.209 399 Q C 1.466 177.397 176.000 -0.115 0.000 0.985 399 Q CA 1.897 57.601 55.803 -0.164 0.000 0.881 399 Q CB -0.795 28.073 28.738 0.216 0.000 0.917 399 Q HN 0.596 nan 8.270 nan 0.000 0.443 400 D N 1.084 121.466 120.400 -0.029 0.000 2.178 400 D HA -0.090 4.549 4.640 -0.001 0.000 0.202 400 D C 2.079 178.392 176.300 0.021 0.000 0.974 400 D CA 1.852 55.869 54.000 0.028 0.000 0.841 400 D CB 0.184 41.020 40.800 0.061 0.000 0.953 400 D HN 0.418 nan 8.370 nan 0.000 0.478 401 V N -2.708 117.166 119.914 -0.065 0.000 3.379 401 V HA 0.145 4.265 4.120 -0.001 0.000 0.249 401 V C 2.047 178.092 176.094 -0.082 0.000 1.184 401 V CA 0.045 62.334 62.300 -0.018 0.000 1.106 401 V CB -0.118 31.692 31.823 -0.023 0.000 0.826 401 V HN -0.104 nan 8.190 nan 0.000 0.465 402 M N 1.255 120.642 119.600 -0.357 0.000 2.117 402 M HA 0.015 4.494 4.480 -0.001 0.000 0.262 402 M C 1.456 177.648 176.300 -0.181 0.000 1.065 402 M CA 1.800 56.829 55.300 -0.452 0.000 1.114 402 M CB -0.788 31.138 32.600 -1.124 0.000 1.361 402 M HN 0.549 nan 8.290 nan 0.000 0.408 403 Y N -1.207 119.116 120.300 0.037 0.000 2.746 403 Y HA 0.348 4.898 4.550 -0.001 0.000 0.312 403 Y C 0.206 176.146 175.900 0.068 0.000 1.117 403 Y CA -0.899 57.231 58.100 0.050 0.000 1.324 403 Y CB -0.093 38.395 38.460 0.046 0.000 1.173 403 Y HN 0.129 nan 8.280 nan 0.000 0.529 404 N N 0.775 119.592 118.700 0.195 0.000 2.793 404 N HA 0.055 4.795 4.740 -0.001 0.000 0.251 404 N C -0.636 174.995 175.510 0.203 0.000 1.308 404 N CA -0.167 52.986 53.050 0.171 0.000 0.781 404 N CB 0.119 38.694 38.487 0.146 0.000 1.439 404 N HN 0.134 nan 8.380 nan 0.000 0.562 405 N N 0.001 118.827 118.700 0.210 0.000 2.364 405 N HA -0.074 4.666 4.740 -0.001 0.000 0.183 405 N C 1.224 176.876 175.510 0.237 0.000 1.022 405 N CA 1.179 54.394 53.050 0.274 0.000 0.883 405 N CB 0.279 38.896 38.487 0.217 0.000 0.965 405 N HN 0.385 nan 8.380 nan 0.000 0.438 406 S N 0.356 116.164 115.700 0.180 0.000 2.345 406 S HA 0.054 4.524 4.470 -0.001 0.000 0.219 406 S C 1.873 176.589 174.600 0.193 0.000 1.031 406 S CA 0.566 58.862 58.200 0.160 0.000 0.984 406 S CB -0.293 62.979 63.200 0.121 0.000 0.874 406 S HN 0.224 nan 8.310 nan 0.000 0.451 407 L N 0.715 122.065 121.223 0.211 0.000 2.083 407 L HA -0.132 4.208 4.340 -0.001 0.000 0.209 407 L C 2.559 179.648 176.870 0.365 0.000 1.083 407 L CA 1.122 56.146 54.840 0.306 0.000 0.752 407 L CB -0.384 41.835 42.059 0.267 0.000 0.899 407 L HN 0.342 nan 8.230 nan 0.000 0.433 408 M N 0.122 119.884 119.600 0.270 0.000 2.108 408 M HA -0.120 4.360 4.480 -0.001 0.000 0.261 408 M C 1.975 178.382 176.300 0.178 0.000 1.066 408 M CA 2.092 57.523 55.300 0.218 0.000 1.107 408 M CB -0.954 31.776 32.600 0.217 0.000 1.356 408 M HN 0.121 nan 8.290 nan 0.000 0.406 409 G N -0.484 108.425 108.800 0.183 0.000 2.408 409 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.217 409 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.217 409 G C 1.636 176.598 174.900 0.103 0.000 1.150 409 G CA 0.824 46.000 45.100 0.127 0.000 0.776 409 G HN 0.521 nan 8.290 nan 0.000 0.542 410 K N -0.581 119.920 120.400 0.169 0.000 2.097 410 K HA 0.058 4.378 4.320 -0.001 0.000 0.205 410 K C 2.079 178.685 176.600 0.010 0.000 1.050 410 K CA 0.820 57.205 56.287 0.164 0.000 0.938 410 K CB -0.276 32.420 32.500 0.327 0.000 0.718 410 K HN 0.319 nan 8.250 nan 0.000 0.442 411 F N 2.608 122.444 119.950 -0.190 0.000 2.102 411 F HA -0.217 4.310 4.527 -0.001 0.000 0.298 411 F C 2.340 177.933 175.800 -0.346 0.000 1.105 411 F CA 1.574 59.242 58.000 -0.553 0.000 1.239 411 F CB -0.049 38.665 39.000 -0.477 0.000 0.991 411 F HN -0.155 nan 8.300 nan 0.000 0.474 412 K N 0.275 120.638 120.400 -0.062 0.000 2.001 412 K HA -0.315 4.004 4.320 -0.001 0.000 0.214 412 K C 2.002 178.467 176.600 -0.226 0.000 1.050 412 K CA 2.323 58.525 56.287 -0.141 0.000 0.934 412 K CB -0.737 31.715 32.500 -0.081 0.000 0.718 412 K HN 0.390 nan 8.250 nan 0.000 0.443 413 D N 0.156 120.462 120.400 -0.157 0.000 2.104 413 D HA -0.173 4.466 4.640 -0.001 0.000 0.194 413 D C 2.019 178.201 176.300 -0.196 0.000 0.994 413 D CA 1.541 55.457 54.000 -0.139 0.000 0.830 413 D CB -0.022 40.738 40.800 -0.068 0.000 0.959 413 D HN 0.331 nan 8.370 nan 0.000 0.452 414 L N -0.950 120.122 121.223 -0.252 0.000 2.127 414 L HA 0.082 4.421 4.340 -0.001 0.000 0.203 414 L C 2.113 178.795 176.870 -0.314 0.000 1.080 414 L CA 0.538 55.228 54.840 -0.249 0.000 0.768 414 L CB 0.027 41.971 42.059 -0.192 0.000 0.924 414 L HN 0.131 nan 8.230 nan 0.000 0.444 415 L N -1.812 119.023 121.223 -0.647 0.000 2.766 415 L HA 0.254 4.594 4.340 -0.001 0.000 0.241 415 L C 1.610 178.155 176.870 -0.541 0.000 1.080 415 L CA 0.066 54.505 54.840 -0.669 0.000 0.909 415 L CB 0.062 41.413 42.059 -1.180 0.000 1.277 415 L HN 0.107 nan 8.230 nan 0.000 0.510 416 G N 1.832 110.209 108.800 -0.705 0.000 3.471 416 G HA2 0.325 4.284 3.960 -0.001 0.000 0.254 416 G HA3 0.325 4.284 3.960 -0.001 0.000 0.254 416 G C 0.225 175.030 174.900 -0.158 0.000 1.199 416 G CA 0.039 44.946 45.100 -0.322 0.000 1.683 416 G HN 0.047 nan 8.290 nan 0.000 0.625 417 V N -2.611 117.259 119.914 -0.074 0.000 2.973 417 V HA 0.805 4.924 4.120 -0.001 0.000 0.314 417 V C -0.017 176.080 176.094 0.005 0.000 1.066 417 V CA -0.790 61.458 62.300 -0.087 0.000 1.021 417 V CB 1.813 33.502 31.823 -0.224 0.000 1.076 417 V HN -0.009 nan 8.190 nan 0.000 0.462 418 T N 4.546 119.067 114.554 -0.054 0.000 2.791 418 T HA 0.476 4.826 4.350 -0.001 0.000 0.288 418 T C -2.677 171.983 174.700 -0.067 0.000 0.999 418 T CA -0.882 61.200 62.100 -0.030 0.000 0.952 418 T CB 1.377 70.220 68.868 -0.042 0.000 0.938 418 T HN 0.809 nan 8.240 nan 0.000 0.444 419 P HA 0.242 nan 4.420 nan 0.000 0.268 419 P C -0.807 176.445 177.300 -0.079 0.000 1.204 419 P CA -0.259 62.797 63.100 -0.073 0.000 0.768 419 P CB 1.088 32.780 31.700 -0.012 0.000 0.842 420 V N 5.068 124.917 119.914 -0.108 0.000 2.733 420 V HA 0.415 4.534 4.120 -0.001 0.000 0.306 420 V C -0.534 175.503 176.094 -0.095 0.000 1.084 420 V CA -1.131 61.107 62.300 -0.102 0.000 0.905 420 V CB 2.062 33.804 31.823 -0.136 0.000 1.010 420 V HN 0.483 nan 8.190 nan 0.000 0.424 421 M N 6.808 126.371 119.600 -0.061 0.000 2.188 421 M HA 0.501 4.981 4.480 -0.001 0.000 0.354 421 M C -0.497 175.789 176.300 -0.023 0.000 1.342 421 M CA 0.845 56.123 55.300 -0.036 0.000 1.117 421 M CB 0.462 33.052 32.600 -0.017 0.000 1.670 421 M HN 0.717 nan 8.290 nan 0.000 0.466 422 Q N 3.006 122.812 119.800 0.011 0.000 2.456 422 Q HA 0.509 4.849 4.340 -0.001 0.000 0.283 422 Q C -1.171 174.914 176.000 0.142 0.000 1.084 422 Q CA -0.623 55.238 55.803 0.097 0.000 0.801 422 Q CB 2.223 31.032 28.738 0.119 0.000 1.434 422 Q HN 0.670 nan 8.270 nan 0.000 0.419 423 T N 1.890 116.565 114.554 0.201 0.000 2.770 423 T HA 0.495 4.845 4.350 -0.001 0.000 0.283 423 T C 0.056 174.847 174.700 0.151 0.000 0.988 423 T CA -0.456 61.731 62.100 0.144 0.000 0.957 423 T CB 0.404 69.338 68.868 0.111 0.000 0.930 423 T HN 0.245 nan 8.240 nan 0.000 0.443 424 I N 4.096 124.722 120.570 0.094 0.000 2.353 424 I HA 0.460 4.629 4.170 -0.001 0.000 0.293 424 I C -0.095 176.085 176.117 0.105 0.000 0.992 424 I CA -0.768 60.569 61.300 0.061 0.000 1.268 424 I CB 1.338 39.319 38.000 -0.031 0.000 1.387 424 I HN 0.296 nan 8.210 nan 0.000 0.478 425 V N 6.913 126.908 119.914 0.135 0.000 2.531 425 V HA 0.470 4.590 4.120 -0.001 0.000 0.301 425 V C -0.214 175.993 176.094 0.188 0.000 1.034 425 V CA -0.701 61.687 62.300 0.147 0.000 0.865 425 V CB 2.537 34.424 31.823 0.107 0.000 0.995 425 V HN 0.429 nan 8.190 nan 0.000 0.424 426 V N 4.906 124.957 119.914 0.228 0.000 2.407 426 V HA 0.513 4.632 4.120 -0.001 0.000 0.291 426 V C 0.049 176.307 176.094 0.273 0.000 1.018 426 V CA -0.957 61.499 62.300 0.261 0.000 0.842 426 V CB 1.588 33.589 31.823 0.297 0.000 0.996 426 V HN 0.728 nan 8.190 nan 0.000 0.426 427 K N 3.325 123.860 120.400 0.225 0.000 2.098 427 K HA 0.320 4.639 4.320 -0.001 0.000 0.244 427 K C 0.820 177.554 176.600 0.223 0.000 1.014 427 K CA -0.361 56.046 56.287 0.199 0.000 0.917 427 K CB 0.499 33.080 32.500 0.136 0.000 1.072 427 K HN 0.960 nan 8.250 nan 0.000 0.477 428 N N -0.925 117.879 118.700 0.172 0.000 2.700 428 N HA -0.195 4.545 4.740 -0.001 0.000 0.265 428 N C -0.804 174.755 175.510 0.082 0.000 0.975 428 N CA 0.095 53.224 53.050 0.131 0.000 0.800 428 N CB -1.654 36.907 38.487 0.124 0.000 0.908 428 N HN 0.102 nan 8.380 nan 0.000 0.551 429 V N 1.523 121.442 119.914 0.009 0.000 2.406 429 V HA 0.258 4.377 4.120 -0.001 0.000 0.272 429 V C -1.109 174.721 176.094 -0.440 0.000 1.043 429 V CA -1.144 60.921 62.300 -0.392 0.000 0.915 429 V CB 1.341 32.940 31.823 -0.374 0.000 0.988 429 V HN 0.324 nan 8.190 nan 0.000 0.466 430 P HA 0.119 nan 4.420 nan 0.000 0.226 430 P C 0.321 177.399 177.300 -0.369 0.000 1.783 430 P CA -0.115 62.748 63.100 -0.396 0.000 0.980 430 P CB -0.371 31.129 31.700 -0.334 0.000 1.967 431 T N -0.912 113.454 114.554 -0.313 0.000 2.770 431 T HA 0.560 4.910 4.350 -0.001 0.000 0.281 431 T C 0.415 175.029 174.700 -0.144 0.000 0.981 431 T CA -0.190 61.757 62.100 -0.256 0.000 0.955 431 T CB 0.784 69.514 68.868 -0.229 0.000 1.060 431 T HN 0.163 nan 8.240 nan 0.000 0.531 432 T N -0.753 113.737 114.554 -0.107 0.000 2.645 432 T HA 0.460 4.810 4.350 -0.001 0.000 0.300 432 T C -0.143 174.533 174.700 -0.039 0.000 1.210 432 T CA -1.002 61.058 62.100 -0.067 0.000 1.034 432 T CB 0.524 69.355 68.868 -0.061 0.000 1.537 432 T HN 0.672 nan 8.240 nan 0.000 0.492 433 I N 1.953 122.508 120.570 -0.025 0.000 2.683 433 I HA 0.295 4.465 4.170 -0.001 0.000 0.286 433 I C 1.615 177.730 176.117 -0.002 0.000 1.175 433 I CA 1.233 62.529 61.300 -0.006 0.000 1.429 433 I CB -0.158 37.840 38.000 -0.004 0.000 1.371 433 I HN 1.079 nan 8.210 nan 0.000 0.569 434 G N 3.967 112.777 108.800 0.015 0.000 2.234 434 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.260 434 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.260 434 G C 0.036 174.939 174.900 0.005 0.000 0.987 434 G CA -0.274 44.836 45.100 0.017 0.000 0.625 434 G HN 0.620 nan 8.290 nan 0.000 0.532 435 D N 2.057 122.442 120.400 -0.024 0.000 2.348 435 D HA 0.495 5.134 4.640 -0.001 0.000 0.253 435 D C 1.009 177.229 176.300 -0.133 0.000 1.161 435 D CA 1.060 55.007 54.000 -0.088 0.000 0.876 435 D CB 1.189 41.897 40.800 -0.155 0.000 1.160 435 D HN 0.485 nan 8.370 nan 0.000 0.459 436 T N -1.359 113.105 114.554 -0.150 0.000 2.925 436 T HA 0.654 5.004 4.350 -0.001 0.000 0.285 436 T C 0.029 174.442 174.700 -0.479 0.000 1.021 436 T CA -0.859 61.095 62.100 -0.243 0.000 1.042 436 T CB 1.505 70.365 68.868 -0.013 0.000 1.037 436 T HN 0.004 nan 8.240 nan 0.000 0.481 437 V N 2.186 121.602 119.914 -0.830 0.000 2.604 437 V HA 0.648 4.768 4.120 -0.001 0.000 0.305 437 V C -1.304 174.346 176.094 -0.740 0.000 1.043 437 V CA -0.764 61.050 62.300 -0.810 0.000 0.888 437 V CB 1.176 32.270 31.823 -1.215 0.000 0.995 437 V HN 0.935 nan 8.190 nan 0.000 0.429 438 Y N 3.547 123.388 120.300 -0.765 0.000 2.677 438 Y HA 0.785 5.335 4.550 -0.001 0.000 0.334 438 Y C -0.082 175.475 175.900 -0.571 0.000 1.154 438 Y CA -1.193 56.490 58.100 -0.695 0.000 1.070 438 Y CB 1.891 39.802 38.460 -0.914 0.000 1.294 438 Y HN 0.643 nan 8.280 nan 0.000 0.475 439 I N -1.281 119.244 120.570 -0.075 0.000 2.828 439 I HA 0.936 5.105 4.170 -0.001 0.000 0.302 439 I C -0.811 175.439 176.117 0.222 0.000 1.101 439 I CA -0.684 60.682 61.300 0.110 0.000 1.031 439 I CB 2.571 40.614 38.000 0.072 0.000 1.231 439 I HN 0.539 nan 8.210 nan 0.000 0.427 440 T N 2.104 116.858 114.554 0.333 0.000 2.889 440 T HA 0.845 5.195 4.350 -0.001 0.000 0.315 440 T C -0.705 173.917 174.700 -0.131 0.000 1.291 440 T CA -0.111 62.110 62.100 0.202 0.000 1.028 440 T CB 1.795 70.920 68.868 0.428 0.000 1.235 440 T HN 1.285 nan 8.240 nan 0.000 0.491 441 G N 1.690 110.161 108.800 -0.548 0.000 2.663 441 G HA2 0.390 4.350 3.960 -0.001 0.000 0.299 441 G HA3 0.390 4.350 3.960 -0.001 0.000 0.299 441 G C 0.627 174.724 174.900 -1.338 0.000 1.372 441 G CA -0.038 44.382 45.100 -1.133 0.000 0.781 441 G HN 0.702 nan 8.290 nan 0.000 0.491 442 N N -0.224 117.881 118.700 -0.991 0.000 2.104 442 N HA -0.108 4.632 4.740 -0.001 0.000 0.190 442 N C 0.793 176.176 175.510 -0.212 0.000 1.024 442 N CA 0.872 53.676 53.050 -0.409 0.000 0.853 442 N CB -0.232 38.298 38.487 0.071 0.000 1.008 442 N HN 0.484 nan 8.380 nan 0.000 0.424 443 R N -0.352 120.031 120.500 -0.195 0.000 2.637 443 R HA 0.406 4.746 4.340 -0.001 0.000 0.269 443 R C 1.338 177.552 176.300 -0.143 0.000 1.089 443 R CA 0.158 56.170 56.100 -0.145 0.000 1.177 443 R CB 0.444 30.642 30.300 -0.170 0.000 1.091 443 R HN 0.251 nan 8.270 nan 0.000 0.540 444 A N 1.868 124.636 122.820 -0.088 0.000 1.972 444 A HA -0.190 4.130 4.320 -0.001 0.000 0.219 444 A C 1.675 179.209 177.584 -0.082 0.000 1.169 444 A CA 1.548 53.566 52.037 -0.031 0.000 0.635 444 A CB -0.293 18.758 19.000 0.086 0.000 0.810 444 A HN 0.796 nan 8.150 nan 0.000 0.446 445 E N -0.231 119.833 120.200 -0.227 0.000 2.204 445 E HA -0.048 4.302 4.350 -0.001 0.000 0.195 445 E C 1.405 177.881 176.600 -0.207 0.000 0.990 445 E CA 0.779 56.991 56.400 -0.314 0.000 0.821 445 E CB -0.191 29.193 29.700 -0.526 0.000 0.750 445 E HN 0.617 nan 8.360 nan 0.000 0.477 446 L N -1.043 120.064 121.223 -0.194 0.000 2.628 446 L HA 0.252 4.591 4.340 -0.001 0.000 0.229 446 L C 1.113 177.923 176.870 -0.100 0.000 1.137 446 L CA 0.274 55.012 54.840 -0.170 0.000 0.909 446 L CB 0.229 42.149 42.059 -0.231 0.000 1.137 446 L HN 0.366 nan 8.230 nan 0.000 0.470 447 G N -0.979 107.789 108.800 -0.054 0.000 2.175 447 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.244 447 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.244 447 G C 0.568 175.547 174.900 0.131 0.000 0.982 447 G CA 0.106 45.263 45.100 0.096 0.000 0.641 447 G HN 0.234 nan 8.290 nan 0.000 0.527 448 S N -1.894 113.787 115.700 -0.031 0.000 3.706 448 S HA -0.286 4.184 4.470 -0.001 0.000 0.363 448 S C 1.088 175.761 174.600 0.121 0.000 0.999 448 S CA 1.705 59.898 58.200 -0.013 0.000 1.143 448 S CB -2.074 61.192 63.200 0.109 0.000 0.902 448 S HN 1.855 nan 8.310 nan 0.000 0.476 449 W N -1.931 119.448 121.300 0.132 0.000 2.062 449 W HA -0.267 4.393 4.660 -0.001 0.000 0.257 449 W C 0.397 176.986 176.519 0.117 0.000 1.024 449 W CA 0.671 58.091 57.345 0.126 0.000 0.471 449 W CB -1.663 27.825 29.460 0.046 0.000 2.039 449 W HN 0.669 nan 8.180 nan 0.000 1.321 450 D N 0.496 121.053 120.400 0.260 0.000 2.414 450 D HA 0.300 4.940 4.640 -0.001 0.000 0.242 450 D C 1.297 177.661 176.300 0.107 0.000 1.129 450 D CA 1.494 55.574 54.000 0.133 0.000 0.885 450 D CB 1.006 41.826 40.800 0.034 0.000 1.198 450 D HN 0.075 nan 8.370 nan 0.000 0.437 451 T N -0.244 114.300 114.554 -0.017 0.000 3.043 451 T HA 0.203 4.553 4.350 -0.001 0.000 0.272 451 T C 1.140 175.775 174.700 -0.108 0.000 0.990 451 T CA -0.494 61.531 62.100 -0.125 0.000 0.897 451 T CB 0.292 68.852 68.868 -0.513 0.000 1.111 451 T HN 0.133 nan 8.240 nan 0.000 0.529 452 K N 1.888 122.220 120.400 -0.114 0.000 2.107 452 K HA 0.250 4.570 4.320 -0.001 0.000 0.211 452 K C 2.132 178.658 176.600 -0.124 0.000 1.024 452 K CA 1.118 57.329 56.287 -0.127 0.000 0.953 452 K CB -0.167 32.251 32.500 -0.137 0.000 0.831 452 K HN 0.424 nan 8.250 nan 0.000 0.454 453 Q N -0.883 118.798 119.800 -0.197 0.000 2.387 453 Q HA 0.071 4.411 4.340 -0.001 0.000 0.212 453 Q C 1.706 177.750 176.000 0.073 0.000 0.925 453 Q CA 0.423 56.156 55.803 -0.117 0.000 0.901 453 Q CB 0.103 28.717 28.738 -0.206 0.000 1.020 453 Q HN 0.218 nan 8.270 nan 0.000 0.545 454 Y N 1.397 121.686 120.300 -0.018 0.000 2.561 454 Y HA 0.116 4.666 4.550 -0.001 0.000 0.291 454 Y C -1.563 174.355 175.900 0.031 0.000 1.141 454 Y CA -1.717 56.372 58.100 -0.018 0.000 1.303 454 Y CB -1.642 36.807 38.460 -0.018 0.000 1.015 454 Y HN 0.082 nan 8.280 nan 0.000 0.547 455 P HA -0.037 nan 4.420 nan 0.000 0.266 455 P C -0.083 177.362 177.300 0.242 0.000 1.195 455 P CA 0.604 63.844 63.100 0.232 0.000 0.768 455 P CB 1.138 32.972 31.700 0.224 0.000 0.838 456 I N 2.300 122.976 120.570 0.177 0.000 2.325 456 I HA 0.193 4.362 4.170 -0.001 0.000 0.291 456 I C 1.213 177.338 176.117 0.013 0.000 1.019 456 I CA -0.442 60.910 61.300 0.086 0.000 1.302 456 I CB 0.562 38.564 38.000 0.002 0.000 1.401 456 I HN 0.356 nan 8.210 nan 0.000 0.485 457 Q N 6.162 125.883 119.800 -0.132 0.000 2.327 457 Q HA 0.490 4.829 4.340 -0.001 0.000 0.254 457 Q C -1.136 174.514 176.000 -0.582 0.000 0.952 457 Q CA -0.300 55.115 55.803 -0.647 0.000 0.884 457 Q CB 1.136 29.391 28.738 -0.805 0.000 1.224 457 Q HN 0.587 nan 8.270 nan 0.000 0.422 458 L N 2.725 123.554 121.223 -0.657 0.000 2.304 458 L HA 0.559 4.899 4.340 -0.001 0.000 0.268 458 L C -1.098 175.505 176.870 -0.445 0.000 1.010 458 L CA -1.071 53.569 54.840 -0.334 0.000 0.813 458 L CB 1.229 43.262 42.059 -0.044 0.000 1.315 458 L HN 0.681 nan 8.230 nan 0.000 0.445 459 Y N -1.158 119.270 120.300 0.213 0.000 2.545 459 Y HA 0.321 4.871 4.550 -0.001 0.000 0.348 459 Y C -0.712 175.133 175.900 -0.092 0.000 1.002 459 Y CA -0.684 57.504 58.100 0.146 0.000 1.039 459 Y CB 1.711 40.172 38.460 0.002 0.000 1.271 459 Y HN 0.278 nan 8.280 nan 0.000 0.467 460 Y N 2.359 122.283 120.300 -0.627 0.000 2.365 460 Y HA 0.267 4.817 4.550 -0.001 0.000 0.340 460 Y C -0.493 175.118 175.900 -0.481 0.000 1.016 460 Y CA -1.240 56.195 58.100 -1.107 0.000 1.196 460 Y CB 0.544 37.978 38.460 -1.710 0.000 1.167 460 Y HN 0.586 nan 8.280 nan 0.000 0.509 461 D N 3.547 123.463 120.400 -0.807 0.000 2.380 461 D HA 0.190 4.830 4.640 -0.001 0.000 0.230 461 D C 0.483 176.234 176.300 -0.916 0.000 1.154 461 D CA 0.055 53.673 54.000 -0.635 0.000 0.859 461 D CB 1.200 41.833 40.800 -0.278 0.000 1.045 461 D HN 0.628 nan 8.370 nan 0.000 0.495 462 S N 2.545 117.754 115.700 -0.819 0.000 2.399 462 S HA -0.214 4.255 4.470 -0.001 0.000 0.231 462 S C 1.476 175.925 174.600 -0.252 0.000 1.022 462 S CA 0.993 58.850 58.200 -0.572 0.000 0.983 462 S CB -0.374 62.644 63.200 -0.304 0.000 0.803 462 S HN 0.707 nan 8.310 nan 0.000 0.480 463 H N 1.788 120.702 119.070 -0.260 0.000 2.261 463 H HA 0.067 4.623 4.556 -0.001 0.000 0.301 463 H C 1.778 177.031 175.328 -0.125 0.000 1.067 463 H CA 2.045 58.001 56.048 -0.154 0.000 1.297 463 H CB -0.326 29.360 29.762 -0.127 0.000 1.377 463 H HN 0.252 nan 8.280 nan 0.000 0.492 464 S N 0.169 115.781 115.700 -0.146 0.000 2.593 464 S HA 0.000 4.470 4.470 -0.001 0.000 0.217 464 S C 0.168 174.705 174.600 -0.105 0.000 0.966 464 S CA 0.470 58.578 58.200 -0.153 0.000 0.914 464 S CB -0.423 62.754 63.200 -0.040 0.000 0.776 464 S HN 0.648 nan 8.310 nan 0.000 0.523 465 N N 2.695 121.308 118.700 -0.144 0.000 2.586 465 N HA -0.171 4.569 4.740 -0.001 0.000 0.282 465 N C -1.179 174.404 175.510 0.121 0.000 1.171 465 N CA 1.214 54.271 53.050 0.011 0.000 0.733 465 N CB -1.153 37.377 38.487 0.071 0.000 0.910 465 N HN 0.630 nan 8.380 nan 0.000 0.548 466 D N -0.590 119.853 120.400 0.072 0.000 2.865 466 D HA 0.509 5.149 4.640 -0.001 0.000 0.343 466 D C -1.242 175.069 176.300 0.018 0.000 1.372 466 D CA -0.572 53.514 54.000 0.142 0.000 0.862 466 D CB -0.241 40.634 40.800 0.125 0.000 1.425 466 D HN 0.152 nan 8.370 nan 0.000 0.501 467 W N 0.375 121.768 121.300 0.154 0.000 2.600 467 W HA 0.675 5.335 4.660 -0.001 0.000 0.325 467 W C 0.321 176.883 176.519 0.071 0.000 1.034 467 W CA -0.582 56.831 57.345 0.112 0.000 1.226 467 W CB 1.723 31.212 29.460 0.049 0.000 1.379 467 W HN 0.576 nan 8.180 nan 0.000 0.466 468 R N 1.985 122.621 120.500 0.226 0.000 2.817 468 R HA 1.009 5.349 4.340 -0.001 0.000 0.268 468 R C -0.610 175.779 176.300 0.149 0.000 1.027 468 R CA -1.350 54.844 56.100 0.157 0.000 0.928 468 R CB 1.858 32.218 30.300 0.101 0.000 1.228 468 R HN 0.591 nan 8.270 nan 0.000 0.469 469 G N 0.351 109.219 108.800 0.113 0.000 2.702 469 G HA2 0.281 4.241 3.960 -0.001 0.000 0.296 469 G HA3 0.281 4.241 3.960 -0.001 0.000 0.296 469 G C -1.873 173.074 174.900 0.078 0.000 1.463 469 G CA -1.024 44.145 45.100 0.115 0.000 0.890 469 G HN 0.485 nan 8.290 nan 0.000 0.534 470 N N 0.427 119.171 118.700 0.073 0.000 2.602 470 N HA 0.453 5.193 4.740 -0.001 0.000 0.238 470 N C -0.050 175.478 175.510 0.030 0.000 1.084 470 N CA -0.166 52.913 53.050 0.049 0.000 0.952 470 N CB 1.656 40.164 38.487 0.036 0.000 1.244 470 N HN 0.338 nan 8.380 nan 0.000 0.512 471 V N 1.709 121.632 119.914 0.015 0.000 2.539 471 V HA 0.322 4.442 4.120 -0.001 0.000 0.292 471 V C 0.333 176.403 176.094 -0.039 0.000 1.045 471 V CA -0.935 61.351 62.300 -0.022 0.000 0.945 471 V CB 1.787 33.573 31.823 -0.062 0.000 0.993 471 V HN 0.184 nan 8.190 nan 0.000 0.464 472 V N 5.979 125.857 119.914 -0.060 0.000 2.368 472 V HA 0.289 4.409 4.120 -0.001 0.000 0.266 472 V C -0.023 175.988 176.094 -0.140 0.000 1.045 472 V CA -0.246 62.004 62.300 -0.083 0.000 0.899 472 V CB 0.700 32.484 31.823 -0.065 0.000 1.006 472 V HN 0.465 nan 8.190 nan 0.000 0.470 473 L N 7.627 128.753 121.223 -0.161 0.000 2.332 473 L HA 0.650 4.989 4.340 -0.001 0.000 0.269 473 L C -2.254 174.465 176.870 -0.252 0.000 1.016 473 L CA -2.547 52.163 54.840 -0.216 0.000 0.809 473 L CB 1.839 43.778 42.059 -0.200 0.000 1.280 473 L HN 0.356 nan 8.230 nan 0.000 0.447 474 P HA 0.184 nan 4.420 nan 0.000 0.281 474 P C -0.713 176.442 177.300 -0.241 0.000 1.286 474 P CA -0.434 62.485 63.100 -0.301 0.000 0.772 474 P CB 0.798 32.275 31.700 -0.371 0.000 0.862 475 A N 4.160 126.857 122.820 -0.205 0.000 2.565 475 A HA -0.017 4.303 4.320 -0.001 0.000 0.237 475 A C 0.913 178.396 177.584 -0.170 0.000 1.053 475 A CA 0.213 52.136 52.037 -0.189 0.000 0.755 475 A CB -0.840 18.074 19.000 -0.143 0.000 0.980 475 A HN 0.700 nan 8.150 nan 0.000 0.506 476 E N -0.528 119.566 120.200 -0.177 0.000 2.586 476 E HA -0.195 4.155 4.350 -0.001 0.000 0.259 476 E C -0.326 176.205 176.600 -0.115 0.000 1.107 476 E CA 0.676 56.996 56.400 -0.134 0.000 0.754 476 E CB -0.886 28.756 29.700 -0.097 0.000 1.335 476 E HN 0.583 nan 8.360 nan 0.000 0.411 477 R N 0.569 120.989 120.500 -0.134 0.000 2.711 477 R HA 0.349 4.689 4.340 -0.001 0.000 0.284 477 R C -0.090 176.173 176.300 -0.061 0.000 0.968 477 R CA -0.971 55.066 56.100 -0.105 0.000 0.924 477 R CB 0.858 31.072 30.300 -0.144 0.000 1.162 477 R HN -0.009 nan 8.270 nan 0.000 0.465 478 N N 2.905 121.592 118.700 -0.022 0.000 2.411 478 N HA 0.236 4.976 4.740 -0.001 0.000 0.259 478 N C 0.097 175.635 175.510 0.048 0.000 1.103 478 N CA -0.009 53.062 53.050 0.034 0.000 0.954 478 N CB 0.683 39.194 38.487 0.040 0.000 1.085 478 N HN 0.472 nan 8.380 nan 0.000 0.485 479 I N -1.651 118.987 120.570 0.114 0.000 2.846 479 I HA 0.640 4.810 4.170 -0.001 0.000 0.307 479 I C -0.379 175.877 176.117 0.230 0.000 1.053 479 I CA -0.834 60.547 61.300 0.135 0.000 1.050 479 I CB 2.352 40.422 38.000 0.118 0.000 1.239 479 I HN 0.160 nan 8.210 nan 0.000 0.439 480 E N 3.093 123.422 120.200 0.215 0.000 2.340 480 E HA 0.710 5.060 4.350 -0.001 0.000 0.273 480 E C -1.685 175.053 176.600 0.230 0.000 0.891 480 E CA -0.616 55.907 56.400 0.205 0.000 0.757 480 E CB 2.940 32.772 29.700 0.220 0.000 1.231 480 E HN 0.634 nan 8.360 nan 0.000 0.439 481 F N -1.092 118.880 119.950 0.036 0.000 2.807 481 F HA 0.644 5.170 4.527 -0.001 0.000 0.316 481 F C -1.732 174.201 175.800 0.222 0.000 1.162 481 F CA -1.115 56.873 58.000 -0.020 0.000 0.910 481 F CB 1.368 40.301 39.000 -0.111 0.000 1.314 481 F HN 0.145 nan 8.300 nan 0.000 0.454 482 K N 1.010 121.706 120.400 0.494 0.000 2.527 482 K HA 0.776 5.095 4.320 -0.001 0.000 0.260 482 K C -1.327 175.620 176.600 0.578 0.000 0.937 482 K CA -1.022 55.542 56.287 0.461 0.000 0.826 482 K CB 2.681 35.526 32.500 0.574 0.000 1.359 482 K HN 0.968 nan 8.250 nan 0.000 0.434 483 A N 1.961 125.015 122.820 0.390 0.000 2.279 483 A HA 0.856 5.176 4.320 -0.001 0.000 0.303 483 A C -0.830 176.947 177.584 0.321 0.000 1.108 483 A CA -0.352 51.867 52.037 0.304 0.000 0.830 483 A CB 0.028 19.196 19.000 0.280 0.000 1.106 483 A HN 0.643 nan 8.150 nan 0.000 0.493 484 F N -1.023 118.945 119.950 0.030 0.000 2.654 484 F HA 0.759 5.285 4.527 -0.001 0.000 0.308 484 F C -1.181 174.565 175.800 -0.089 0.000 1.108 484 F CA -1.262 56.633 58.000 -0.174 0.000 0.957 484 F CB 0.905 39.252 39.000 -1.088 0.000 1.309 484 F HN 0.414 nan 8.300 nan 0.000 0.446 485 I N 2.309 122.923 120.570 0.072 0.000 2.498 485 I HA 0.463 4.633 4.170 -0.001 0.000 0.301 485 I C -0.418 175.692 176.117 -0.013 0.000 0.984 485 I CA -0.888 60.330 61.300 -0.137 0.000 1.204 485 I CB 1.920 39.779 38.000 -0.235 0.000 1.362 485 I HN 0.591 nan 8.210 nan 0.000 0.471 486 K N 3.038 123.408 120.400 -0.049 0.000 2.324 486 K HA 0.490 4.809 4.320 -0.001 0.000 0.253 486 K C -0.839 175.748 176.600 -0.022 0.000 0.932 486 K CA -0.575 55.713 56.287 0.003 0.000 0.799 486 K CB 2.221 34.732 32.500 0.017 0.000 1.154 486 K HN 0.582 nan 8.250 nan 0.000 0.425 487 S N 1.422 117.113 115.700 -0.015 0.000 2.614 487 S HA 0.062 4.532 4.470 -0.001 0.000 0.265 487 S C 1.216 175.816 174.600 -0.000 0.000 1.303 487 S CA -0.509 57.682 58.200 -0.016 0.000 1.000 487 S CB 1.261 64.454 63.200 -0.012 0.000 0.935 487 S HN 0.631 nan 8.310 nan 0.000 0.551 488 K N 1.071 121.472 120.400 0.002 0.000 2.113 488 K HA -0.215 4.105 4.320 -0.001 0.000 0.208 488 K C 1.031 177.641 176.600 0.016 0.000 1.047 488 K CA 2.061 58.357 56.287 0.015 0.000 0.928 488 K CB -0.436 32.072 32.500 0.013 0.000 0.716 488 K HN 0.747 nan 8.250 nan 0.000 0.446 489 D N -1.285 119.120 120.400 0.009 0.000 2.378 489 D HA -0.012 4.627 4.640 -0.001 0.000 0.222 489 D C 0.869 177.172 176.300 0.005 0.000 0.980 489 D CA 0.858 54.863 54.000 0.008 0.000 0.907 489 D CB -0.055 40.748 40.800 0.004 0.000 0.899 489 D HN 0.354 nan 8.370 nan 0.000 0.527 490 G N -0.010 108.792 108.800 0.004 0.000 2.255 490 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.239 490 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.239 490 G C 0.128 175.014 174.900 -0.023 0.000 1.083 490 G CA 0.189 45.284 45.100 -0.007 0.000 0.826 490 G HN 0.857 nan 8.290 nan 0.000 0.493 491 T N -2.976 111.567 114.554 -0.019 0.000 2.876 491 T HA 0.665 5.015 4.350 -0.001 0.000 0.289 491 T C 0.058 174.742 174.700 -0.026 0.000 1.014 491 T CA -0.495 61.589 62.100 -0.026 0.000 0.986 491 T CB 2.500 71.359 68.868 -0.016 0.000 1.021 491 T HN 0.968 nan 8.240 nan 0.000 0.458 492 V N 3.978 123.859 119.914 -0.054 0.000 2.458 492 V HA 0.113 4.233 4.120 -0.001 0.000 0.287 492 V C 1.648 177.724 176.094 -0.030 0.000 1.009 492 V CA 0.192 62.444 62.300 -0.081 0.000 1.091 492 V CB 0.159 31.841 31.823 -0.235 0.000 0.960 492 V HN 1.014 nan 8.190 nan 0.000 0.476 493 K N 2.786 123.184 120.400 -0.005 0.000 2.128 493 K HA 0.127 4.447 4.320 -0.001 0.000 0.202 493 K C 0.880 177.524 176.600 0.074 0.000 1.050 493 K CA 0.762 57.062 56.287 0.021 0.000 0.966 493 K CB 0.414 32.912 32.500 -0.004 0.000 0.759 493 K HN 0.668 nan 8.250 nan 0.000 0.454 494 S N -1.770 113.993 115.700 0.104 0.000 2.615 494 S HA 0.464 4.934 4.470 -0.001 0.000 0.269 494 S C -2.215 172.539 174.600 0.256 0.000 1.161 494 S CA -0.902 57.458 58.200 0.265 0.000 0.817 494 S CB 0.547 64.007 63.200 0.432 0.000 1.131 494 S HN 0.245 nan 8.310 nan 0.000 0.467 495 W N 1.572 122.997 121.300 0.209 0.000 2.844 495 W HA 0.519 5.179 4.660 -0.001 0.000 0.340 495 W C -0.186 175.917 176.519 -0.694 0.000 1.093 495 W CA -0.538 56.778 57.345 -0.049 0.000 1.212 495 W CB 1.468 30.884 29.460 -0.073 0.000 1.422 495 W HN 0.755 nan 8.180 nan 0.000 0.515 496 Q N 1.175 120.571 119.800 -0.673 0.000 2.361 496 Q HA -0.012 4.328 4.340 -0.001 0.000 0.276 496 Q C 1.472 177.124 176.000 -0.580 0.000 1.022 496 Q CA 1.155 56.267 55.803 -1.151 0.000 0.898 496 Q CB 1.350 29.805 28.738 -0.471 0.000 1.246 496 Q HN 0.749 nan 8.270 nan 0.000 0.410 497 T N 2.077 116.272 114.554 -0.597 0.000 2.622 497 T HA -0.091 4.258 4.350 -0.001 0.000 0.266 497 T C 1.008 175.589 174.700 -0.199 0.000 1.047 497 T CA 0.727 62.649 62.100 -0.296 0.000 1.159 497 T CB 0.103 68.847 68.868 -0.207 0.000 0.863 497 T HN 0.467 nan 8.240 nan 0.000 0.422 498 I N 2.313 122.778 120.570 -0.175 0.000 2.385 498 I HA 0.349 4.519 4.170 -0.001 0.000 0.294 498 I C 0.304 176.338 176.117 -0.138 0.000 0.988 498 I CA -0.995 60.225 61.300 -0.134 0.000 1.265 498 I CB 1.154 39.094 38.000 -0.100 0.000 1.388 498 I HN 0.486 nan 8.210 nan 0.000 0.480 499 Q N 5.310 125.033 119.800 -0.129 0.000 2.286 499 Q HA 0.076 4.416 4.340 -0.001 0.000 0.267 499 Q C -0.564 175.320 176.000 -0.194 0.000 1.028 499 Q CA -0.409 55.322 55.803 -0.121 0.000 0.901 499 Q CB 0.794 29.483 28.738 -0.081 0.000 1.183 499 Q HN 0.415 nan 8.270 nan 0.000 0.392 500 Q N 1.456 121.020 119.800 -0.393 0.000 2.249 500 Q HA 0.446 4.786 4.340 -0.001 0.000 0.226 500 Q C -0.453 175.102 176.000 -0.742 0.000 0.983 500 Q CA -0.116 55.294 55.803 -0.656 0.000 0.930 500 Q CB 1.816 29.889 28.738 -1.108 0.000 1.193 500 Q HN 0.862 nan 8.270 nan 0.000 0.508 501 S N -1.359 114.073 115.700 -0.446 0.000 2.661 501 S HA 0.656 5.126 4.470 -0.001 0.000 0.268 501 S C -1.858 172.926 174.600 0.306 0.000 1.162 501 S CA -0.896 57.295 58.200 -0.014 0.000 0.817 501 S CB 1.394 64.629 63.200 0.058 0.000 1.141 501 S HN 0.578 nan 8.310 nan 0.000 0.477 502 W N 1.887 123.319 121.300 0.221 0.000 2.725 502 W HA 0.453 5.112 4.660 -0.001 0.000 0.305 502 W C -1.949 174.639 176.519 0.115 0.000 1.045 502 W CA -1.062 56.412 57.345 0.215 0.000 1.202 502 W CB 0.793 30.380 29.460 0.210 0.000 1.083 502 W HN 0.819 nan 8.180 nan 0.000 0.343 503 N N 5.535 124.442 118.700 0.346 0.000 2.707 503 N HA 0.420 5.160 4.740 -0.001 0.000 0.235 503 N C -2.163 173.422 175.510 0.125 0.000 1.028 503 N CA -0.701 52.457 53.050 0.179 0.000 0.906 503 N CB 1.598 40.166 38.487 0.135 0.000 1.131 503 N HN 0.038 nan 8.380 nan 0.000 0.509 504 P HA 0.374 nan 4.420 nan 0.000 0.307 504 P C -0.643 176.570 177.300 -0.145 0.000 1.307 504 P CA -0.638 62.460 63.100 -0.004 0.000 0.814 504 P CB 1.032 32.706 31.700 -0.043 0.000 1.311 505 V N 2.809 122.562 119.914 -0.267 0.000 2.529 505 V HA 0.122 4.242 4.120 -0.001 0.000 0.292 505 V C -1.726 174.047 176.094 -0.535 0.000 1.028 505 V CA -0.950 60.969 62.300 -0.635 0.000 1.074 505 V CB 0.023 31.553 31.823 -0.487 0.000 0.958 505 V HN 0.580 nan 8.190 nan 0.000 0.481 506 P HA 0.080 nan 4.420 nan 0.000 0.271 506 P C 0.856 177.988 177.300 -0.280 0.000 1.216 506 P CA -0.116 62.776 63.100 -0.347 0.000 0.771 506 P CB 1.217 32.757 31.700 -0.267 0.000 0.864 507 L N 1.297 122.415 121.223 -0.174 0.000 2.275 507 L HA -0.106 4.234 4.340 -0.001 0.000 0.215 507 L C 0.642 177.447 176.870 -0.108 0.000 1.119 507 L CA 1.406 56.167 54.840 -0.132 0.000 0.790 507 L CB -0.121 41.886 42.059 -0.087 0.000 0.919 507 L HN 0.356 nan 8.230 nan 0.000 0.443 508 K N 0.231 120.573 120.400 -0.097 0.000 2.201 508 K HA 0.209 4.529 4.320 -0.001 0.000 0.278 508 K C -0.128 176.433 176.600 -0.065 0.000 1.027 508 K CA -0.202 56.048 56.287 -0.060 0.000 0.909 508 K CB 1.108 33.589 32.500 -0.031 0.000 1.062 508 K HN -0.172 nan 8.250 nan 0.000 0.465 509 T N 1.833 116.363 114.554 -0.039 0.000 2.902 509 T HA 0.176 4.526 4.350 -0.001 0.000 0.301 509 T C 0.425 175.144 174.700 0.031 0.000 1.012 509 T CA 0.219 62.309 62.100 -0.017 0.000 1.151 509 T CB 0.444 69.310 68.868 -0.004 0.000 0.946 509 T HN 0.689 nan 8.240 nan 0.000 0.542 510 T N 0.928 115.534 114.554 0.087 0.000 2.641 510 T HA 0.618 4.968 4.350 -0.001 0.000 0.278 510 T C -1.526 173.332 174.700 0.265 0.000 1.295 510 T CA -0.132 62.064 62.100 0.160 0.000 1.102 510 T CB 0.692 69.672 68.868 0.187 0.000 1.820 510 T HN 0.764 nan 8.240 nan 0.000 0.444 511 S N 0.495 116.393 115.700 0.330 0.000 2.579 511 S HA 0.603 5.072 4.470 -0.001 0.000 0.272 511 S C -1.657 173.048 174.600 0.174 0.000 1.141 511 S CA -0.735 57.641 58.200 0.294 0.000 0.843 511 S CB 1.601 64.889 63.200 0.146 0.000 1.122 511 S HN 0.879 nan 8.310 nan 0.000 0.468 512 H N 1.535 120.482 119.070 -0.204 0.000 2.786 512 H HA 0.476 5.031 4.556 -0.001 0.000 0.284 512 H C -1.077 174.120 175.328 -0.218 0.000 1.104 512 H CA -0.066 55.655 56.048 -0.546 0.000 1.339 512 H CB 0.748 29.691 29.762 -1.366 0.000 1.427 512 H HN 0.748 nan 8.280 nan 0.000 0.497 513 T N 3.529 117.978 114.554 -0.175 0.000 2.875 513 T HA 0.482 4.831 4.350 -0.001 0.000 0.284 513 T C -0.099 174.563 174.700 -0.063 0.000 0.995 513 T CA -0.515 61.567 62.100 -0.030 0.000 1.060 513 T CB 1.201 70.056 68.868 -0.020 0.000 0.967 513 T HN 0.696 nan 8.240 nan 0.000 0.476 514 S N 1.294 117.038 115.700 0.072 0.000 2.656 514 S HA 0.784 5.254 4.470 -0.001 0.000 0.273 514 S C -1.018 173.650 174.600 0.114 0.000 1.168 514 S CA -0.990 57.253 58.200 0.071 0.000 0.817 514 S CB 1.618 64.902 63.200 0.141 0.000 1.146 514 S HN 0.509 nan 8.310 nan 0.000 0.475 515 S N 0.493 116.256 115.700 0.104 0.000 2.607 515 S HA 0.556 5.026 4.470 -0.001 0.000 0.303 515 S C -0.565 174.153 174.600 0.198 0.000 1.086 515 S CA -0.803 57.491 58.200 0.156 0.000 0.995 515 S CB 0.886 64.157 63.200 0.118 0.000 1.084 515 S HN 0.689 nan 8.310 nan 0.000 0.507 516 W N 0.000 121.336 121.300 0.061 0.000 2.388 516 W HA 0.000 4.660 4.660 -0.001 0.000 0.303 516 W CA 0.000 57.379 57.345 0.057 0.000 1.226 516 W CB 0.000 29.488 29.460 0.046 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535