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 1q3q_1_C DATA FIRST_RESID 9 DATA SEQUENCE VVILPEGTQR YVGRDAQRLN ILAARIIAET VRTTLGPKGM DKMLVDSLGD DATA SEQUENCE IVVTNDCATI LDKIDLQHPA AKMMVEVAKT QDKEAGDGTT TAVVIAGELL DATA SEQUENCE RKAEELLDQN IHPSIITKGY ALAAEKAQEI LDEIAIRVDP DDEETLLKIA DATA SEQUENCE ATSITGKNAE SHKELLAKLA VEAVKQVAEK KDGKYVVDLD NIKFEKKAGE DATA SEQUENCE GVEESELVRG VVIDKEVVHP RMPKRVENAK IALINEALEV KKTETDAKIN DATA SEQUENCE ITSPDQLMSF LEQEEKMLKD MVDHIAQTGA NVVFVQKGID DLAQHYLAKY DATA SEQUENCE GIMAVRRVKK SDMEKLAKAT GAKIVTNVKD LTPEDLGYAE VVEERKLAGE DATA SEQUENCE NMIFVEGCKN PKAVTILIRG GTEHVIDEVE RALEDAVKVV KDVMEDGAVL DATA SEQUENCE PAGGAPEIEL AIRLDEYAKQ VGGKEALAIE NFADALKIIP KTLAENAGLD DATA SEQUENCE TVEMLVKVIS EHKNRGLGIG IDVFEGKPAD MLEKGIIEPL RVKKQAIKSA DATA SEQUENCE SEAAIMILRI DDVIAAKA 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 9 V HA 0.000 nan 4.120 nan 0.000 0.244 9 V C 0.000 176.089 176.094 -0.009 0.000 1.182 9 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 9 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 10 V N 8.565 128.474 119.914 -0.008 0.000 2.484 10 V HA 0.024 4.144 4.120 -0.000 0.000 0.276 10 V C 1.379 177.468 176.094 -0.008 0.000 0.976 10 V CA 0.765 63.059 62.300 -0.009 0.000 1.141 10 V CB -0.036 31.782 31.823 -0.008 0.000 0.975 10 V HN 0.732 nan 8.190 nan 0.000 0.466 11 I N 4.242 124.806 120.570 -0.009 0.000 2.685 11 I HA 0.201 4.371 4.170 -0.000 0.000 0.251 11 I C 0.822 176.934 176.117 -0.008 0.000 1.102 11 I CA 0.895 62.190 61.300 -0.008 0.000 1.442 11 I CB -0.027 37.968 38.000 -0.008 0.000 1.194 11 I HN 0.375 nan 8.210 nan 0.000 0.448 12 L N 1.664 122.881 121.223 -0.010 0.000 2.343 12 L HA 0.357 4.697 4.340 -0.000 0.000 0.275 12 L C -2.117 174.747 176.870 -0.010 0.000 1.056 12 L CA -1.714 53.120 54.840 -0.010 0.000 0.804 12 L CB 0.611 42.662 42.059 -0.013 0.000 1.203 12 L HN -0.082 nan 8.230 nan 0.000 0.440 13 P HA 0.007 nan 4.420 nan 0.000 0.267 13 P C -0.924 176.371 177.300 -0.008 0.000 1.200 13 P CA -0.385 62.711 63.100 -0.006 0.000 0.772 13 P CB 0.343 32.040 31.700 -0.004 0.000 0.855 14 E N 1.610 121.805 120.200 -0.008 0.000 2.413 14 E HA 0.304 4.654 4.350 -0.000 0.000 0.263 14 E C 1.138 177.734 176.600 -0.007 0.000 1.015 14 E CA 0.315 56.709 56.400 -0.009 0.000 0.916 14 E CB -0.324 29.372 29.700 -0.007 0.000 0.947 14 E HN 0.700 nan 8.360 nan 0.000 0.440 15 G N 2.590 111.385 108.800 -0.009 0.000 2.308 15 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.221 15 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.221 15 G C 0.371 175.269 174.900 -0.004 0.000 1.032 15 G CA 0.001 45.099 45.100 -0.004 0.000 0.623 15 G HN 0.798 nan 8.290 nan 0.000 0.506 16 T N 3.187 117.737 114.554 -0.007 0.000 2.871 16 T HA 0.429 4.779 4.350 -0.000 0.000 0.296 16 T C 0.521 175.209 174.700 -0.020 0.000 0.998 16 T CA 1.049 63.145 62.100 -0.006 0.000 1.162 16 T CB 0.768 69.631 68.868 -0.009 0.000 0.947 16 T HN 0.758 nan 8.240 nan 0.000 0.536 17 Q N 3.112 122.911 119.800 -0.003 0.000 2.274 17 Q HA 0.671 5.010 4.340 -0.000 0.000 0.260 17 Q C -0.507 175.453 176.000 -0.068 0.000 0.974 17 Q CA -1.144 54.629 55.803 -0.049 0.000 0.876 17 Q CB 2.103 30.873 28.738 0.053 0.000 1.297 17 Q HN 0.493 nan 8.270 nan 0.000 0.446 18 R N 2.020 122.350 120.500 -0.283 0.000 2.621 18 R HA 0.467 4.807 4.340 -0.000 0.000 0.284 18 R C -1.841 174.172 176.300 -0.479 0.000 0.998 18 R CA -0.560 55.421 56.100 -0.198 0.000 0.895 18 R CB 1.571 31.809 30.300 -0.103 0.000 1.195 18 R HN 0.747 nan 8.270 nan 0.000 0.450 19 Y N 1.937 122.240 120.300 0.005 0.000 2.391 19 Y HA 0.506 5.056 4.550 -0.000 0.000 0.341 19 Y C -0.381 175.523 175.900 0.007 0.000 0.965 19 Y CA -0.783 57.323 58.100 0.011 0.000 1.067 19 Y CB 2.318 40.792 38.460 0.023 0.000 1.199 19 Y HN 0.149 nan 8.280 nan 0.000 0.450 20 V N 2.143 122.122 119.914 0.109 0.000 2.864 20 V HA 0.805 4.925 4.120 -0.000 0.000 0.314 20 V C 0.637 176.762 176.094 0.053 0.000 1.073 20 V CA -0.189 62.149 62.300 0.063 0.000 0.956 20 V CB 1.435 33.271 31.823 0.023 0.000 1.023 20 V HN 1.074 nan 8.190 nan 0.000 0.435 21 G N 3.076 111.895 108.800 0.032 0.000 2.651 21 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.315 21 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.315 21 G C 1.154 176.064 174.900 0.015 0.000 1.258 21 G CA 1.194 46.301 45.100 0.011 0.000 1.002 21 G HN 0.880 nan 8.290 nan 0.000 0.551 22 R N 0.386 120.891 120.500 0.008 0.000 2.117 22 R HA -0.128 4.212 4.340 -0.000 0.000 0.243 22 R C 2.164 178.480 176.300 0.028 0.000 1.143 22 R CA 2.424 58.528 56.100 0.007 0.000 0.968 22 R CB -0.515 29.787 30.300 0.003 0.000 0.863 22 R HN 0.623 nan 8.270 nan 0.000 0.444 23 D N 0.138 120.572 120.400 0.056 0.000 2.144 23 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 23 D C 1.742 178.105 176.300 0.105 0.000 0.978 23 D CA 1.359 55.418 54.000 0.098 0.000 0.833 23 D CB -0.241 40.654 40.800 0.160 0.000 0.961 23 D HN 0.379 nan 8.370 nan 0.000 0.470 24 A N 1.026 123.911 122.820 0.108 0.000 1.877 24 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 24 A C 2.173 179.777 177.584 0.033 0.000 1.186 24 A CA 1.568 53.658 52.037 0.089 0.000 0.620 24 A CB -0.695 18.357 19.000 0.087 0.000 0.822 24 A HN 0.195 nan 8.150 nan 0.000 0.443 25 Q N -0.959 118.853 119.800 0.021 0.000 2.030 25 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 25 Q C 2.389 178.384 176.000 -0.009 0.000 0.986 25 Q CA 1.818 57.622 55.803 0.002 0.000 0.843 25 Q CB -0.269 28.463 28.738 -0.010 0.000 0.904 25 Q HN 0.709 nan 8.270 nan 0.000 0.420 26 R N 0.408 120.904 120.500 -0.008 0.000 2.080 26 R HA -0.177 4.163 4.340 -0.000 0.000 0.236 26 R C 2.120 178.389 176.300 -0.051 0.000 1.137 26 R CA 1.255 57.343 56.100 -0.021 0.000 0.943 26 R CB -0.211 30.086 30.300 -0.006 0.000 0.846 26 R HN 0.203 nan 8.270 nan 0.000 0.431 27 L N 1.194 122.382 121.223 -0.059 0.000 2.046 27 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 27 L C 1.885 178.655 176.870 -0.166 0.000 1.077 27 L CA 1.939 56.702 54.840 -0.130 0.000 0.747 27 L CB -1.496 40.456 42.059 -0.177 0.000 0.896 27 L HN 0.399 nan 8.230 nan 0.000 0.432 28 N N -0.198 118.471 118.700 -0.050 0.000 2.058 28 N HA -0.166 4.574 4.740 -0.000 0.000 0.191 28 N C 1.946 177.418 175.510 -0.063 0.000 1.037 28 N CA 0.983 54.031 53.050 -0.004 0.000 0.848 28 N CB -0.013 38.500 38.487 0.043 0.000 1.021 28 N HN 0.224 nan 8.380 nan 0.000 0.422 29 I N 1.153 121.694 120.570 -0.048 0.000 2.226 29 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 29 I C 2.316 178.389 176.117 -0.075 0.000 1.100 29 I CA 0.890 62.164 61.300 -0.043 0.000 1.374 29 I CB -0.194 37.792 38.000 -0.024 0.000 1.057 29 I HN 0.240 nan 8.210 nan 0.000 0.413 30 L N 0.485 121.645 121.223 -0.104 0.000 2.046 30 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 30 L C 2.764 179.537 176.870 -0.162 0.000 1.077 30 L CA 1.615 56.384 54.840 -0.118 0.000 0.747 30 L CB -0.348 41.638 42.059 -0.121 0.000 0.896 30 L HN 0.266 nan 8.230 nan 0.000 0.432 31 A N -0.386 122.271 122.820 -0.271 0.000 1.873 31 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 31 A C 2.429 179.922 177.584 -0.151 0.000 1.186 31 A CA 1.625 53.469 52.037 -0.321 0.000 0.616 31 A CB -0.743 17.813 19.000 -0.739 0.000 0.823 31 A HN 0.512 nan 8.150 nan 0.000 0.442 32 A N -0.275 122.484 122.820 -0.103 0.000 1.902 32 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 32 A C 2.243 179.799 177.584 -0.047 0.000 1.181 32 A CA 1.541 53.549 52.037 -0.047 0.000 0.623 32 A CB -0.475 18.512 19.000 -0.022 0.000 0.818 32 A HN 0.538 nan 8.150 nan 0.000 0.443 33 R N -0.612 119.855 120.500 -0.055 0.000 2.081 33 R HA -0.056 4.284 4.340 -0.000 0.000 0.235 33 R C 1.952 178.223 176.300 -0.049 0.000 1.131 33 R CA 1.615 57.687 56.100 -0.047 0.000 0.960 33 R CB -0.466 29.806 30.300 -0.046 0.000 0.856 33 R HN 0.588 nan 8.270 nan 0.000 0.436 34 I N 0.386 120.921 120.570 -0.060 0.000 2.315 34 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 34 I C 2.117 178.209 176.117 -0.041 0.000 1.117 34 I CA 0.782 62.051 61.300 -0.053 0.000 1.404 34 I CB -0.151 37.810 38.000 -0.064 0.000 1.071 34 I HN 0.137 nan 8.210 nan 0.000 0.419 35 I N 1.073 121.619 120.570 -0.040 0.000 2.252 35 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 35 I C 2.838 178.939 176.117 -0.026 0.000 1.102 35 I CA 1.630 62.914 61.300 -0.027 0.000 1.385 35 I CB -1.277 36.711 38.000 -0.020 0.000 1.064 35 I HN 0.158 nan 8.210 nan 0.000 0.414 36 A N 0.339 123.140 122.820 -0.030 0.000 1.902 36 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 36 A C 2.225 179.789 177.584 -0.032 0.000 1.181 36 A CA 1.648 53.666 52.037 -0.032 0.000 0.623 36 A CB -0.640 18.338 19.000 -0.036 0.000 0.818 36 A HN 0.471 nan 8.150 nan 0.000 0.443 37 E N -0.951 119.229 120.200 -0.033 0.000 2.110 37 E HA -0.133 4.216 4.350 -0.000 0.000 0.193 37 E C 2.048 178.632 176.600 -0.028 0.000 0.988 37 E CA 1.575 57.956 56.400 -0.032 0.000 0.804 37 E CB -0.288 29.393 29.700 -0.032 0.000 0.745 37 E HN 0.595 nan 8.360 nan 0.000 0.458 38 T N 0.529 115.068 114.554 -0.026 0.000 2.788 38 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 38 T C 2.075 176.763 174.700 -0.020 0.000 1.044 38 T CA 1.530 63.617 62.100 -0.021 0.000 1.139 38 T CB -0.078 68.778 68.868 -0.019 0.000 0.867 38 T HN 0.209 nan 8.240 nan 0.000 0.454 39 V N 1.339 121.240 119.914 -0.021 0.000 3.174 39 V HA 0.119 4.239 4.120 -0.000 0.000 0.254 39 V C 2.269 178.349 176.094 -0.025 0.000 1.120 39 V CA 0.722 63.009 62.300 -0.021 0.000 1.114 39 V CB -0.730 31.081 31.823 -0.019 0.000 0.756 39 V HN 0.453 nan 8.190 nan 0.000 0.467 40 R N 1.139 121.622 120.500 -0.029 0.000 2.200 40 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 40 R C 1.754 178.035 176.300 -0.033 0.000 1.127 40 R CA 1.951 58.031 56.100 -0.033 0.000 0.989 40 R CB -1.702 28.576 30.300 -0.037 0.000 0.869 40 R HN 0.466 nan 8.270 nan 0.000 0.459 41 T N 0.574 115.111 114.554 -0.029 0.000 3.098 41 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 41 T C 1.523 176.207 174.700 -0.027 0.000 1.145 41 T CA 1.495 63.578 62.100 -0.028 0.000 1.092 41 T CB -0.068 68.786 68.868 -0.023 0.000 0.908 41 T HN 0.642 nan 8.240 nan 0.000 0.526 42 T N -0.596 113.943 114.554 -0.025 0.000 3.081 42 T HA 0.271 4.620 4.350 -0.000 0.000 0.250 42 T C 0.611 175.294 174.700 -0.028 0.000 1.100 42 T CA -0.402 61.684 62.100 -0.022 0.000 1.038 42 T CB -0.325 68.532 68.868 -0.018 0.000 0.962 42 T HN 0.172 nan 8.240 nan 0.000 0.516 43 L N 2.726 123.928 121.223 -0.035 0.000 2.462 43 L HA 0.507 4.847 4.340 -0.000 0.000 0.272 43 L C 0.840 177.678 176.870 -0.054 0.000 1.166 43 L CA 1.582 56.397 54.840 -0.041 0.000 0.880 43 L CB -0.610 41.422 42.059 -0.045 0.000 1.142 43 L HN 0.683 nan 8.230 nan 0.000 0.473 44 G N 4.114 112.881 108.800 -0.055 0.000 2.796 44 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.571 44 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.571 44 G C -1.936 172.911 174.900 -0.088 0.000 1.370 44 G CA -0.418 44.635 45.100 -0.079 0.000 0.856 44 G HN 0.524 nan 8.290 nan 0.000 0.538 45 P HA -0.001 nan 4.420 nan 0.000 0.218 45 P C 1.239 178.458 177.300 -0.135 0.000 1.146 45 P CA 1.708 64.706 63.100 -0.170 0.000 0.813 45 P CB 0.049 31.435 31.700 -0.522 0.000 0.778 46 K N -1.063 119.242 120.400 -0.158 0.000 2.478 46 K HA 0.254 4.574 4.320 -0.000 0.000 0.205 46 K C 0.837 177.405 176.600 -0.053 0.000 1.033 46 K CA -0.230 56.005 56.287 -0.087 0.000 1.091 46 K CB 0.816 33.248 32.500 -0.112 0.000 0.844 46 K HN 0.052 nan 8.250 nan 0.000 0.507 47 G N 1.137 109.907 108.800 -0.050 0.000 2.467 47 G HA2 0.273 4.232 3.960 -0.000 0.000 0.257 47 G HA3 0.273 4.232 3.960 -0.000 0.000 0.257 47 G C 0.110 174.998 174.900 -0.019 0.000 1.227 47 G CA -0.359 44.719 45.100 -0.035 0.000 0.835 47 G HN -0.080 nan 8.290 nan 0.000 0.556 48 M N 0.451 120.042 119.600 -0.016 0.000 2.531 48 M HA 0.428 4.908 4.480 -0.000 0.000 0.262 48 M C -0.297 175.999 176.300 -0.007 0.000 1.168 48 M CA -0.648 54.647 55.300 -0.008 0.000 0.926 48 M CB 1.205 33.800 32.600 -0.008 0.000 1.445 48 M HN 0.370 nan 8.290 nan 0.000 0.531 49 D N 0.171 120.568 120.400 -0.004 0.000 2.442 49 D HA 0.547 5.187 4.640 -0.000 0.000 0.254 49 D C -0.655 175.642 176.300 -0.005 0.000 1.069 49 D CA -0.399 53.599 54.000 -0.003 0.000 1.017 49 D CB 1.220 42.021 40.800 0.002 0.000 1.172 49 D HN 0.237 nan 8.370 nan 0.000 0.561 50 K N 0.102 120.501 120.400 -0.002 0.000 2.328 50 K HA 0.550 4.870 4.320 -0.000 0.000 0.246 50 K C -0.717 175.883 176.600 -0.001 0.000 0.955 50 K CA -0.795 55.490 56.287 -0.003 0.000 0.817 50 K CB 2.712 35.211 32.500 -0.003 0.000 1.208 50 K HN 0.273 nan 8.250 nan 0.000 0.432 51 M N 3.922 123.519 119.600 -0.005 0.000 2.125 51 M HA 0.365 4.845 4.480 -0.000 0.000 0.321 51 M C -1.777 174.524 176.300 0.001 0.000 0.983 51 M CA -0.676 54.620 55.300 -0.006 0.000 0.934 51 M CB 0.604 33.191 32.600 -0.022 0.000 1.542 51 M HN 0.464 nan 8.290 nan 0.000 0.424 52 L N 5.989 127.219 121.223 0.012 0.000 2.305 52 L HA 0.630 4.969 4.340 -0.000 0.000 0.284 52 L C -1.033 175.848 176.870 0.019 0.000 1.013 52 L CA -1.002 53.846 54.840 0.013 0.000 0.819 52 L CB 1.730 43.798 42.059 0.014 0.000 1.227 52 L HN 0.392 nan 8.230 nan 0.000 0.417 53 V N 1.789 121.711 119.914 0.013 0.000 2.350 53 V HA 0.207 4.326 4.120 -0.000 0.000 0.285 53 V C -0.251 175.852 176.094 0.014 0.000 1.014 53 V CA -0.870 61.440 62.300 0.016 0.000 0.831 53 V CB 1.416 33.245 31.823 0.009 0.000 1.000 53 V HN 0.810 nan 8.190 nan 0.000 0.433 54 D N 3.469 123.879 120.400 0.017 0.000 2.414 54 D HA 0.099 4.738 4.640 -0.000 0.000 0.259 54 D C 1.537 177.844 176.300 0.011 0.000 1.269 54 D CA 0.158 54.166 54.000 0.013 0.000 1.028 54 D CB 0.509 41.317 40.800 0.013 0.000 1.093 54 D HN 0.432 nan 8.370 nan 0.000 0.545 55 S N -0.789 114.917 115.700 0.009 0.000 2.399 55 S HA -0.182 4.288 4.470 -0.000 0.000 0.231 55 S C 1.633 176.238 174.600 0.008 0.000 1.022 55 S CA 0.629 58.834 58.200 0.008 0.000 0.983 55 S CB -0.635 62.569 63.200 0.007 0.000 0.803 55 S HN 0.415 nan 8.310 nan 0.000 0.480 56 L N 1.817 123.046 121.223 0.010 0.000 2.645 56 L HA 0.416 4.755 4.340 -0.000 0.000 0.235 56 L C 1.884 178.762 176.870 0.013 0.000 1.150 56 L CA 0.668 55.514 54.840 0.010 0.000 0.911 56 L CB -1.027 41.038 42.059 0.009 0.000 1.077 56 L HN 0.537 nan 8.230 nan 0.000 0.438 57 G N -1.012 107.797 108.800 0.014 0.000 2.184 57 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.264 57 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.264 57 G C 0.106 175.021 174.900 0.026 0.000 0.975 57 G CA 0.315 45.425 45.100 0.017 0.000 0.642 57 G HN 0.445 nan 8.290 nan 0.000 0.536 58 D N -0.027 120.390 120.400 0.028 0.000 2.399 58 D HA 0.528 5.168 4.640 -0.000 0.000 0.241 58 D C 0.826 177.160 176.300 0.057 0.000 1.133 58 D CA 0.451 54.475 54.000 0.040 0.000 0.890 58 D CB 0.947 41.763 40.800 0.027 0.000 1.201 58 D HN 0.348 nan 8.370 nan 0.000 0.432 59 I N 1.365 121.998 120.570 0.105 0.000 2.509 59 I HA 0.378 4.548 4.170 -0.000 0.000 0.293 59 I C -0.835 175.405 176.117 0.206 0.000 1.020 59 I CA -0.971 60.414 61.300 0.142 0.000 1.088 59 I CB 1.858 39.941 38.000 0.139 0.000 1.267 59 I HN 0.019 nan 8.210 nan 0.000 0.430 60 V N 6.572 126.562 119.914 0.126 0.000 2.531 60 V HA 0.423 4.543 4.120 -0.000 0.000 0.301 60 V C -0.436 175.715 176.094 0.096 0.000 1.034 60 V CA -0.666 61.702 62.300 0.113 0.000 0.865 60 V CB 2.261 34.114 31.823 0.051 0.000 0.995 60 V HN 0.398 nan 8.190 nan 0.000 0.424 61 V N 4.454 124.446 119.914 0.129 0.000 2.376 61 V HA 0.742 4.862 4.120 -0.000 0.000 0.287 61 V C -0.013 176.113 176.094 0.052 0.000 1.015 61 V CA -0.052 62.289 62.300 0.070 0.000 0.834 61 V CB 1.621 33.477 31.823 0.056 0.000 1.001 61 V HN 1.040 nan 8.190 nan 0.000 0.428 62 T N 2.249 116.819 114.554 0.026 0.000 2.816 62 T HA 0.338 4.687 4.350 -0.000 0.000 0.299 62 T C 0.559 175.262 174.700 0.005 0.000 1.230 62 T CA -0.610 61.498 62.100 0.014 0.000 1.007 62 T CB 2.215 71.088 68.868 0.007 0.000 1.289 62 T HN 0.515 nan 8.240 nan 0.000 0.508 63 N N -0.076 118.624 118.700 0.000 0.000 2.227 63 N HA 0.011 4.751 4.740 -0.000 0.000 0.196 63 N C -0.496 175.010 175.510 -0.007 0.000 1.142 63 N CA 0.060 53.108 53.050 -0.003 0.000 0.887 63 N CB 0.447 38.933 38.487 -0.002 0.000 1.022 63 N HN 0.634 nan 8.380 nan 0.000 0.500 64 D N 0.926 121.322 120.400 -0.008 0.000 2.346 64 D HA 0.002 4.642 4.640 -0.000 0.000 0.260 64 D C 1.484 177.779 176.300 -0.008 0.000 1.252 64 D CA -0.090 53.904 54.000 -0.010 0.000 0.895 64 D CB 0.789 41.581 40.800 -0.013 0.000 1.097 64 D HN 0.125 nan 8.370 nan 0.000 0.489 65 C N 4.228 123.522 119.300 -0.010 0.000 2.393 65 C HA -0.188 4.272 4.460 -0.000 0.000 0.276 65 C C 2.612 177.598 174.990 -0.007 0.000 1.215 65 C CA 1.519 60.531 59.018 -0.009 0.000 1.743 65 C CB -1.258 26.475 27.740 -0.012 0.000 2.044 65 C HN 0.800 nan 8.230 nan 0.000 0.464 66 A N -0.355 122.461 122.820 -0.006 0.000 1.892 66 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 66 A C 2.310 179.893 177.584 -0.003 0.000 1.188 66 A CA 2.879 54.914 52.037 -0.003 0.000 0.631 66 A CB -1.465 17.534 19.000 -0.003 0.000 0.822 66 A HN 0.675 nan 8.150 nan 0.000 0.447 67 T N 0.194 114.746 114.554 -0.004 0.000 2.746 67 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 67 T C 1.812 176.511 174.700 -0.000 0.000 1.039 67 T CA 1.493 63.591 62.100 -0.003 0.000 1.142 67 T CB -0.418 68.446 68.868 -0.006 0.000 0.866 67 T HN 0.420 nan 8.240 nan 0.000 0.444 68 I N 0.757 121.326 120.570 -0.001 0.000 2.127 68 I HA -0.156 4.014 4.170 -0.000 0.000 0.241 68 I C 2.254 178.371 176.117 0.001 0.000 1.075 68 I CA 1.358 62.658 61.300 0.000 0.000 1.334 68 I CB -0.358 37.641 38.000 -0.002 0.000 1.040 68 I HN 0.198 nan 8.210 nan 0.000 0.405 69 L N 0.055 121.278 121.223 -0.000 0.000 2.141 69 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 69 L C 2.147 179.019 176.870 0.003 0.000 1.094 69 L CA 1.326 56.167 54.840 0.001 0.000 0.763 69 L CB -0.670 41.389 42.059 0.000 0.000 0.908 69 L HN 0.316 nan 8.230 nan 0.000 0.437 70 D N 0.120 120.521 120.400 0.003 0.000 2.117 70 D HA -0.179 4.461 4.640 -0.000 0.000 0.198 70 D C 2.182 178.485 176.300 0.004 0.000 0.982 70 D CA 1.187 55.189 54.000 0.003 0.000 0.828 70 D CB 0.272 41.074 40.800 0.002 0.000 0.967 70 D HN -0.059 nan 8.370 nan 0.000 0.464 71 K N 0.064 120.466 120.400 0.004 0.000 2.116 71 K HA 0.081 4.400 4.320 -0.000 0.000 0.203 71 K C 0.745 177.349 176.600 0.007 0.000 1.052 71 K CA 0.138 56.429 56.287 0.006 0.000 0.952 71 K CB -0.198 32.307 32.500 0.008 0.000 0.729 71 K HN 0.329 nan 8.250 nan 0.000 0.446 72 I N 2.554 123.127 120.570 0.006 0.000 2.648 72 I HA -0.101 4.069 4.170 -0.000 0.000 0.284 72 I C 0.473 176.595 176.117 0.007 0.000 1.153 72 I CA -0.100 61.203 61.300 0.006 0.000 1.426 72 I CB 0.268 38.270 38.000 0.005 0.000 1.381 72 I HN -0.028 nan 8.210 nan 0.000 0.571 73 D N 7.642 128.047 120.400 0.008 0.000 2.517 73 D HA 0.244 4.883 4.640 -0.000 0.000 0.220 73 D C -0.268 176.039 176.300 0.011 0.000 1.158 73 D CA -0.224 53.781 54.000 0.008 0.000 0.992 73 D CB -0.060 40.744 40.800 0.008 0.000 1.058 73 D HN 0.257 nan 8.370 nan 0.000 0.516 74 L N 2.807 124.038 121.223 0.013 0.000 2.416 74 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 74 L C 1.692 178.575 176.870 0.022 0.000 1.161 74 L CA -0.372 54.480 54.840 0.020 0.000 0.845 74 L CB 0.985 43.058 42.059 0.022 0.000 1.119 74 L HN 0.269 nan 8.230 nan 0.000 0.464 75 Q N 0.991 120.810 119.800 0.033 0.000 2.252 75 Q HA 0.020 4.359 4.340 -0.000 0.000 0.195 75 Q C 0.412 176.426 176.000 0.024 0.000 0.974 75 Q CA 0.486 56.304 55.803 0.026 0.000 0.846 75 Q CB -0.165 28.590 28.738 0.029 0.000 0.943 75 Q HN 0.597 nan 8.270 nan 0.000 0.516 76 H N 3.117 122.172 119.070 -0.025 0.000 3.064 76 H HA -0.058 4.498 4.556 -0.000 0.000 0.329 76 H C -1.585 173.724 175.328 -0.031 0.000 1.020 76 H CA -0.516 55.509 56.048 -0.039 0.000 1.402 76 H CB 0.969 30.699 29.762 -0.053 0.000 1.379 76 H HN -0.042 nan 8.280 nan 0.000 0.594 77 P HA -0.154 nan 4.420 nan 0.000 0.216 77 P C 0.992 178.320 177.300 0.046 0.000 1.153 77 P CA 1.983 65.013 63.100 -0.118 0.000 0.848 77 P CB 0.056 31.640 31.700 -0.194 0.000 0.787 78 A N 0.042 123.005 122.820 0.239 0.000 1.940 78 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 78 A C 2.317 179.982 177.584 0.134 0.000 1.176 78 A CA 2.108 54.271 52.037 0.210 0.000 0.631 78 A CB -1.589 17.552 19.000 0.235 0.000 0.814 78 A HN 0.206 nan 8.150 nan 0.000 0.446 79 A N -0.193 122.727 122.820 0.167 0.000 1.898 79 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 79 A C 2.093 179.706 177.584 0.049 0.000 1.181 79 A CA 1.627 53.707 52.037 0.072 0.000 0.620 79 A CB -0.391 18.651 19.000 0.071 0.000 0.819 79 A HN 0.522 nan 8.150 nan 0.000 0.442 80 K N -0.717 119.713 120.400 0.051 0.000 2.097 80 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 80 K C 2.002 178.615 176.600 0.023 0.000 1.049 80 K CA 1.613 57.915 56.287 0.026 0.000 0.933 80 K CB -0.314 32.195 32.500 0.014 0.000 0.717 80 K HN 0.519 nan 8.250 nan 0.000 0.442 81 M N -0.243 119.375 119.600 0.029 0.000 2.213 81 M HA -0.155 4.324 4.480 -0.000 0.000 0.263 81 M C 2.155 178.468 176.300 0.021 0.000 1.062 81 M CA 1.254 56.569 55.300 0.025 0.000 1.105 81 M CB -0.210 32.409 32.600 0.031 0.000 1.385 81 M HN 0.095 nan 8.290 nan 0.000 0.417 82 M N -0.063 119.549 119.600 0.021 0.000 2.296 82 M HA -0.099 4.380 4.480 -0.000 0.000 0.265 82 M C 1.884 178.189 176.300 0.008 0.000 1.064 82 M CA 1.252 56.559 55.300 0.012 0.000 1.109 82 M CB -0.392 32.212 32.600 0.006 0.000 1.396 82 M HN 0.013 nan 8.290 nan 0.000 0.430 83 V N -0.022 119.898 119.914 0.010 0.000 2.332 83 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 83 V C 2.070 178.168 176.094 0.008 0.000 1.055 83 V CA 1.943 64.248 62.300 0.008 0.000 1.038 83 V CB -0.864 30.964 31.823 0.009 0.000 0.651 83 V HN 0.499 nan 8.190 nan 0.000 0.450 84 E N -0.054 120.152 120.200 0.010 0.000 2.110 84 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 84 E C 2.274 178.880 176.600 0.010 0.000 0.988 84 E CA 1.456 57.862 56.400 0.011 0.000 0.804 84 E CB -0.275 29.432 29.700 0.013 0.000 0.745 84 E HN 0.490 nan 8.360 nan 0.000 0.458 85 V N 1.605 121.525 119.914 0.010 0.000 2.287 85 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 85 V C 2.394 178.490 176.094 0.004 0.000 1.053 85 V CA 2.026 64.331 62.300 0.008 0.000 1.027 85 V CB -0.743 31.083 31.823 0.005 0.000 0.646 85 V HN 0.328 nan 8.190 nan 0.000 0.447 86 A N -0.637 122.184 122.820 0.002 0.000 1.930 86 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 86 A C 2.282 179.867 177.584 0.002 0.000 1.175 86 A CA 1.415 53.452 52.037 -0.000 0.000 0.627 86 A CB -0.361 18.637 19.000 -0.002 0.000 0.815 86 A HN 0.408 nan 8.150 nan 0.000 0.443 87 K N -0.333 120.069 120.400 0.004 0.000 2.002 87 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 87 K C 2.063 178.667 176.600 0.007 0.000 1.048 87 K CA 1.905 58.196 56.287 0.006 0.000 0.930 87 K CB -1.249 31.255 32.500 0.007 0.000 0.714 87 K HN 0.482 nan 8.250 nan 0.000 0.438 88 T N 1.613 116.172 114.554 0.008 0.000 2.788 88 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 88 T C 1.957 176.663 174.700 0.009 0.000 1.044 88 T CA 1.619 63.724 62.100 0.010 0.000 1.139 88 T CB -0.112 68.763 68.868 0.011 0.000 0.867 88 T HN 0.236 nan 8.240 nan 0.000 0.454 89 Q N 1.412 121.216 119.800 0.007 0.000 2.119 89 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 89 Q C 1.825 177.829 176.000 0.006 0.000 0.972 89 Q CA 1.834 57.641 55.803 0.006 0.000 0.847 89 Q CB -0.490 28.249 28.738 0.002 0.000 0.903 89 Q HN 0.515 nan 8.270 nan 0.000 0.433 90 D N -0.612 119.791 120.400 0.006 0.000 2.144 90 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 90 D C 1.377 177.683 176.300 0.010 0.000 0.978 90 D CA 1.168 55.172 54.000 0.006 0.000 0.833 90 D CB 0.154 40.957 40.800 0.005 0.000 0.961 90 D HN 0.241 nan 8.370 nan 0.000 0.470 91 K N -0.142 120.265 120.400 0.011 0.000 2.167 91 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 91 K C 1.896 178.505 176.600 0.014 0.000 1.052 91 K CA 0.629 56.924 56.287 0.013 0.000 0.956 91 K CB 0.164 32.671 32.500 0.012 0.000 0.735 91 K HN 0.178 nan 8.250 nan 0.000 0.451 92 E N 0.220 120.428 120.200 0.013 0.000 2.060 92 E HA -0.028 4.322 4.350 -0.000 0.000 0.189 92 E C 1.440 178.048 176.600 0.014 0.000 0.974 92 E CA 1.000 57.408 56.400 0.013 0.000 0.808 92 E CB 0.311 30.019 29.700 0.012 0.000 0.768 92 E HN 0.248 nan 8.360 nan 0.000 0.453 93 A N -1.053 121.775 122.820 0.013 0.000 2.498 93 A HA 0.512 4.831 4.320 -0.000 0.000 0.238 93 A C 1.438 179.029 177.584 0.012 0.000 1.225 93 A CA 1.040 53.085 52.037 0.012 0.000 0.978 93 A CB 0.625 19.631 19.000 0.010 0.000 1.142 93 A HN 0.256 nan 8.150 nan 0.000 0.552 94 G N 0.195 109.002 108.800 0.012 0.000 5.426 94 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.297 94 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.297 94 G C 0.115 175.018 174.900 0.005 0.000 1.422 94 G CA 0.442 45.549 45.100 0.011 0.000 0.938 94 G HN 0.478 nan 8.290 nan 0.000 0.754 95 D N 1.450 121.853 120.400 0.005 0.000 2.423 95 D HA 0.495 5.135 4.640 -0.000 0.000 0.255 95 D C 1.393 177.691 176.300 -0.002 0.000 1.174 95 D CA 1.423 55.423 54.000 0.000 0.000 1.008 95 D CB 0.483 41.284 40.800 0.002 0.000 1.101 95 D HN 1.690 nan 8.370 nan 0.000 0.516 96 G N -0.619 108.177 108.800 -0.007 0.000 2.159 96 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.256 96 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.256 96 G C 1.120 176.013 174.900 -0.012 0.000 0.977 96 G CA 1.331 46.424 45.100 -0.010 0.000 0.652 96 G HN 0.598 nan 8.290 nan 0.000 0.531 97 T N -2.797 111.752 114.554 -0.010 0.000 2.777 97 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 97 T C 2.227 176.918 174.700 -0.015 0.000 1.040 97 T CA 2.557 64.651 62.100 -0.010 0.000 1.141 97 T CB -0.588 68.276 68.868 -0.007 0.000 0.868 97 T HN 0.310 nan 8.240 nan 0.000 0.444 98 T N 1.830 116.374 114.554 -0.017 0.000 2.777 98 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 98 T C 2.242 176.925 174.700 -0.029 0.000 1.040 98 T CA 1.820 63.907 62.100 -0.022 0.000 1.141 98 T CB -0.962 67.892 68.868 -0.024 0.000 0.868 98 T HN 0.509 nan 8.240 nan 0.000 0.444 99 T N 2.120 116.656 114.554 -0.030 0.000 2.684 99 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 99 T C 2.396 177.071 174.700 -0.041 0.000 1.036 99 T CA 1.300 63.378 62.100 -0.038 0.000 1.148 99 T CB -0.618 68.230 68.868 -0.033 0.000 0.863 99 T HN 0.436 nan 8.240 nan 0.000 0.436 100 A N 0.833 123.635 122.820 -0.031 0.000 1.908 100 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 100 A C 2.598 180.162 177.584 -0.033 0.000 1.181 100 A CA 1.578 53.597 52.037 -0.029 0.000 0.627 100 A CB -1.016 17.975 19.000 -0.015 0.000 0.818 100 A HN 0.369 nan 8.150 nan 0.000 0.445 101 V N -0.492 119.406 119.914 -0.028 0.000 2.358 101 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 101 V C 2.559 178.630 176.094 -0.039 0.000 1.047 101 V CA 1.842 64.125 62.300 -0.027 0.000 1.035 101 V CB -0.681 31.130 31.823 -0.021 0.000 0.658 101 V HN 0.368 nan 8.190 nan 0.000 0.452 102 V N -0.126 119.761 119.914 -0.045 0.000 2.407 102 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 102 V C 2.166 178.216 176.094 -0.073 0.000 1.055 102 V CA 2.043 64.311 62.300 -0.054 0.000 1.049 102 V CB -0.484 31.307 31.823 -0.052 0.000 0.662 102 V HN 0.442 nan 8.190 nan 0.000 0.455 103 I N 0.288 120.805 120.570 -0.087 0.000 2.252 103 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 103 I C 2.700 178.736 176.117 -0.135 0.000 1.102 103 I CA 1.286 62.507 61.300 -0.133 0.000 1.385 103 I CB -0.589 37.322 38.000 -0.150 0.000 1.064 103 I HN 0.286 nan 8.210 nan 0.000 0.414 104 A N 1.037 123.804 122.820 -0.088 0.000 1.892 104 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 104 A C 2.418 179.974 177.584 -0.046 0.000 1.188 104 A CA 2.223 54.225 52.037 -0.059 0.000 0.631 104 A CB -1.517 17.467 19.000 -0.026 0.000 0.822 104 A HN 0.476 nan 8.150 nan 0.000 0.447 105 G N -0.879 107.892 108.800 -0.047 0.000 2.402 105 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 105 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 105 G C 1.466 176.341 174.900 -0.042 0.000 1.162 105 G CA 1.286 46.364 45.100 -0.038 0.000 0.777 105 G HN 0.575 nan 8.290 nan 0.000 0.539 106 E N -0.200 119.959 120.200 -0.068 0.000 2.106 106 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 106 E C 2.343 178.900 176.600 -0.072 0.000 0.984 106 E CA 0.330 56.686 56.400 -0.074 0.000 0.806 106 E CB -0.308 29.330 29.700 -0.103 0.000 0.750 106 E HN 0.219 nan 8.360 nan 0.000 0.458 107 L N 0.235 121.390 121.223 -0.113 0.000 2.017 107 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 107 L C 2.191 179.141 176.870 0.133 0.000 1.073 107 L CA 1.558 56.339 54.840 -0.098 0.000 0.745 107 L CB -0.836 41.096 42.059 -0.211 0.000 0.894 107 L HN 0.286 nan 8.230 nan 0.000 0.432 108 L N -1.313 119.962 121.223 0.086 0.000 2.056 108 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 108 L C 2.735 179.641 176.870 0.060 0.000 1.078 108 L CA 1.172 56.067 54.840 0.093 0.000 0.749 108 L CB -0.553 41.533 42.059 0.044 0.000 0.901 108 L HN 0.270 nan 8.230 nan 0.000 0.433 109 R N 0.534 121.051 120.500 0.028 0.000 2.080 109 R HA -0.185 4.154 4.340 -0.000 0.000 0.236 109 R C 2.264 178.584 176.300 0.033 0.000 1.137 109 R CA 1.464 57.572 56.100 0.014 0.000 0.943 109 R CB 0.001 30.297 30.300 -0.006 0.000 0.846 109 R HN 0.180 nan 8.270 nan 0.000 0.431 110 K N 0.122 120.557 120.400 0.057 0.000 2.148 110 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 110 K C 1.913 178.580 176.600 0.112 0.000 1.050 110 K CA 1.235 57.572 56.287 0.084 0.000 0.942 110 K CB -0.286 32.275 32.500 0.103 0.000 0.724 110 K HN 0.292 nan 8.250 nan 0.000 0.446 111 A N 1.201 124.106 122.820 0.142 0.000 1.968 111 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 111 A C 2.122 179.701 177.584 -0.009 0.000 1.169 111 A CA 1.454 53.512 52.037 0.035 0.000 0.638 111 A CB -0.302 18.690 19.000 -0.013 0.000 0.812 111 A HN 0.428 nan 8.150 nan 0.000 0.446 112 E N 0.129 120.334 120.200 0.009 0.000 2.204 112 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 112 E C 1.707 178.303 176.600 -0.007 0.000 0.989 112 E CA 1.093 57.489 56.400 -0.007 0.000 0.824 112 E CB -0.110 29.587 29.700 -0.005 0.000 0.756 112 E HN 0.738 nan 8.360 nan 0.000 0.477 113 E N 0.175 120.377 120.200 0.005 0.000 2.153 113 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 113 E C 2.081 178.681 176.600 -0.001 0.000 0.988 113 E CA 0.875 57.278 56.400 0.004 0.000 0.811 113 E CB 0.035 29.743 29.700 0.014 0.000 0.746 113 E HN 0.385 nan 8.360 nan 0.000 0.466 114 L N 0.335 121.553 121.223 -0.007 0.000 2.095 114 L HA -0.096 4.243 4.340 -0.000 0.000 0.204 114 L C 2.412 179.265 176.870 -0.028 0.000 1.080 114 L CA 0.512 55.341 54.840 -0.018 0.000 0.759 114 L CB -0.297 41.742 42.059 -0.033 0.000 0.914 114 L HN 0.150 nan 8.230 nan 0.000 0.439 115 L N -0.069 121.132 121.223 -0.038 0.000 2.042 115 L HA -0.277 4.062 4.340 -0.000 0.000 0.210 115 L C 2.422 179.273 176.870 -0.031 0.000 1.076 115 L CA 1.536 56.349 54.840 -0.045 0.000 0.749 115 L CB -0.627 41.404 42.059 -0.048 0.000 0.893 115 L HN 0.416 nan 8.230 nan 0.000 0.432 116 D N -0.137 120.251 120.400 -0.021 0.000 2.218 116 D HA -0.254 4.386 4.640 -0.000 0.000 0.204 116 D C 1.984 178.277 176.300 -0.011 0.000 0.976 116 D CA 1.006 54.997 54.000 -0.014 0.000 0.853 116 D CB 0.185 40.979 40.800 -0.009 0.000 0.939 116 D HN 0.417 nan 8.370 nan 0.000 0.481 117 Q N 0.210 120.003 119.800 -0.011 0.000 2.444 117 Q HA -0.008 4.332 4.340 -0.000 0.000 0.206 117 Q C -0.083 175.913 176.000 -0.007 0.000 0.948 117 Q CA 0.235 56.035 55.803 -0.006 0.000 0.946 117 Q CB -0.074 28.662 28.738 -0.003 0.000 1.027 117 Q HN 0.284 nan 8.270 nan 0.000 0.513 118 N N -0.386 118.307 118.700 -0.013 0.000 2.869 118 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 118 N C -1.028 174.480 175.510 -0.003 0.000 1.104 118 N CA 0.086 53.129 53.050 -0.012 0.000 0.760 118 N CB -1.021 37.463 38.487 -0.004 0.000 1.108 118 N HN 0.259 nan 8.380 nan 0.000 0.555 119 I N 1.498 122.063 120.570 -0.007 0.000 2.371 119 I HA 0.035 4.205 4.170 -0.000 0.000 0.290 119 I C 1.217 177.342 176.117 0.014 0.000 1.028 119 I CA -0.355 60.952 61.300 0.012 0.000 1.345 119 I CB 0.448 38.447 38.000 -0.002 0.000 1.407 119 I HN 0.179 nan 8.210 nan 0.000 0.501 120 H N 9.469 128.521 119.070 -0.030 0.000 3.001 120 H HA 0.017 4.573 4.556 -0.000 0.000 0.334 120 H C -1.581 173.720 175.328 -0.044 0.000 1.034 120 H CA -0.975 55.055 56.048 -0.030 0.000 1.420 120 H CB 1.331 31.079 29.762 -0.023 0.000 1.405 120 H HN 0.391 nan 8.280 nan 0.000 0.593 121 P HA -0.163 nan 4.420 nan 0.000 0.219 121 P C 1.586 178.946 177.300 0.101 0.000 1.146 121 P CA 1.085 64.155 63.100 -0.051 0.000 0.808 121 P CB 0.264 31.889 31.700 -0.125 0.000 0.779 122 S N -0.642 115.305 115.700 0.411 0.000 2.368 122 S HA -0.102 4.368 4.470 -0.000 0.000 0.225 122 S C 1.920 176.567 174.600 0.079 0.000 1.030 122 S CA 0.853 59.181 58.200 0.214 0.000 0.999 122 S CB -0.653 62.596 63.200 0.081 0.000 0.844 122 S HN -0.124 nan 8.310 nan 0.000 0.459 123 I N 1.734 122.354 120.570 0.084 0.000 2.202 123 I HA -0.105 4.065 4.170 -0.000 0.000 0.242 123 I C 2.278 178.381 176.117 -0.024 0.000 1.091 123 I CA 1.173 62.482 61.300 0.016 0.000 1.368 123 I CB -1.369 36.644 38.000 0.021 0.000 1.058 123 I HN 0.363 nan 8.210 nan 0.000 0.410 124 I N 0.576 121.107 120.570 -0.064 0.000 2.208 124 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 124 I C 2.566 178.533 176.117 -0.249 0.000 1.097 124 I CA 1.518 62.692 61.300 -0.210 0.000 1.363 124 I CB -0.792 37.036 38.000 -0.288 0.000 1.051 124 I HN 0.195 nan 8.210 nan 0.000 0.413 125 T N 0.522 115.005 114.554 -0.119 0.000 2.746 125 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 125 T C 1.967 176.692 174.700 0.042 0.000 1.039 125 T CA 1.571 63.657 62.100 -0.024 0.000 1.142 125 T CB -0.142 68.736 68.868 0.016 0.000 0.866 125 T HN 0.314 nan 8.240 nan 0.000 0.444 126 K N 0.262 120.675 120.400 0.022 0.000 2.057 126 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 126 K C 2.487 179.114 176.600 0.046 0.000 1.050 126 K CA 1.324 57.630 56.287 0.030 0.000 0.935 126 K CB -0.508 31.998 32.500 0.011 0.000 0.715 126 K HN 0.334 nan 8.250 nan 0.000 0.439 127 G N -0.075 108.750 108.800 0.042 0.000 2.422 127 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 127 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 127 G C 1.343 176.351 174.900 0.179 0.000 1.146 127 G CA 0.766 45.914 45.100 0.080 0.000 0.769 127 G HN 0.387 nan 8.290 nan 0.000 0.547 128 Y N 0.770 121.070 120.300 0.001 0.000 2.242 128 Y HA -0.040 4.510 4.550 -0.000 0.000 0.291 128 Y C 3.254 179.055 175.900 -0.165 0.000 1.137 128 Y CA 0.296 58.382 58.100 -0.023 0.000 1.181 128 Y CB 0.075 38.637 38.460 0.169 0.000 0.989 128 Y HN 0.308 nan 8.280 nan 0.000 0.527 129 A N 0.329 123.211 122.820 0.102 0.000 1.902 129 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 129 A C 2.157 179.715 177.584 -0.045 0.000 1.181 129 A CA 1.270 53.321 52.037 0.023 0.000 0.623 129 A CB -1.008 18.020 19.000 0.047 0.000 0.818 129 A HN 0.450 nan 8.150 nan 0.000 0.443 130 L N -0.795 120.423 121.223 -0.008 0.000 2.017 130 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 130 L C 3.149 180.004 176.870 -0.025 0.000 1.073 130 L CA 1.212 56.076 54.840 0.040 0.000 0.745 130 L CB -0.573 41.556 42.059 0.117 0.000 0.894 130 L HN 0.454 nan 8.230 nan 0.000 0.432 131 A N -0.115 122.592 122.820 -0.189 0.000 1.877 131 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 131 A C 2.513 179.684 177.584 -0.688 0.000 1.186 131 A CA 1.831 53.577 52.037 -0.485 0.000 0.620 131 A CB -0.789 17.632 19.000 -0.966 0.000 0.822 131 A HN 0.426 nan 8.150 nan 0.000 0.443 132 A N -0.240 122.126 122.820 -0.756 0.000 1.902 132 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 132 A C 1.931 179.420 177.584 -0.159 0.000 1.181 132 A CA 1.743 53.572 52.037 -0.347 0.000 0.623 132 A CB -0.535 18.390 19.000 -0.124 0.000 0.818 132 A HN 0.656 nan 8.150 nan 0.000 0.443 133 E N -0.786 119.326 120.200 -0.146 0.000 2.107 133 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 133 E C 2.059 178.573 176.600 -0.143 0.000 0.982 133 E CA 1.283 57.623 56.400 -0.101 0.000 0.809 133 E CB -0.081 29.578 29.700 -0.067 0.000 0.756 133 E HN 0.493 nan 8.360 nan 0.000 0.459 134 K N 1.380 121.644 120.400 -0.227 0.000 2.097 134 K HA -0.067 4.252 4.320 -0.000 0.000 0.205 134 K C 1.835 178.305 176.600 -0.216 0.000 1.050 134 K CA 1.270 57.352 56.287 -0.342 0.000 0.938 134 K CB -0.313 31.764 32.500 -0.705 0.000 0.718 134 K HN 0.088 nan 8.250 nan 0.000 0.442 135 A N 0.540 123.269 122.820 -0.152 0.000 1.933 135 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 135 A C 2.006 179.567 177.584 -0.039 0.000 1.175 135 A CA 1.469 53.474 52.037 -0.053 0.000 0.628 135 A CB -0.502 18.522 19.000 0.041 0.000 0.814 135 A HN 0.364 nan 8.150 nan 0.000 0.444 136 Q N -0.141 119.631 119.800 -0.047 0.000 2.079 136 Q HA -0.162 4.177 4.340 -0.000 0.000 0.200 136 Q C 1.868 177.844 176.000 -0.040 0.000 0.974 136 Q CA 1.687 57.471 55.803 -0.030 0.000 0.840 136 Q CB -0.430 28.293 28.738 -0.026 0.000 0.898 136 Q HN 0.823 nan 8.270 nan 0.000 0.430 137 E N 0.340 120.500 120.200 -0.065 0.000 2.077 137 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 137 E C 2.137 178.706 176.600 -0.053 0.000 0.989 137 E CA 0.815 57.176 56.400 -0.064 0.000 0.800 137 E CB -0.128 29.515 29.700 -0.094 0.000 0.746 137 E HN 0.309 nan 8.360 nan 0.000 0.452 138 I N 1.008 121.541 120.570 -0.062 0.000 2.179 138 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 138 I C 2.384 178.492 176.117 -0.016 0.000 1.088 138 I CA 1.025 62.301 61.300 -0.039 0.000 1.357 138 I CB -0.258 37.718 38.000 -0.039 0.000 1.051 138 I HN 0.129 nan 8.210 nan 0.000 0.409 139 L N 0.292 121.507 121.223 -0.012 0.000 2.042 139 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 139 L C 2.138 179.008 176.870 -0.001 0.000 1.076 139 L CA 1.311 56.151 54.840 -0.000 0.000 0.749 139 L CB -0.704 41.357 42.059 0.003 0.000 0.893 139 L HN 0.290 nan 8.230 nan 0.000 0.432 140 D N -0.192 120.203 120.400 -0.008 0.000 2.178 140 D HA -0.158 4.482 4.640 -0.000 0.000 0.202 140 D C 2.113 178.411 176.300 -0.004 0.000 0.974 140 D CA 1.059 55.055 54.000 -0.005 0.000 0.841 140 D CB 0.033 40.827 40.800 -0.010 0.000 0.953 140 D HN 0.424 nan 8.370 nan 0.000 0.478 141 E N 0.179 120.374 120.200 -0.008 0.000 2.076 141 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 141 E C 2.158 178.758 176.600 0.000 0.000 0.979 141 E CA 0.455 56.852 56.400 -0.006 0.000 0.807 141 E CB 0.034 29.727 29.700 -0.011 0.000 0.761 141 E HN 0.426 nan 8.360 nan 0.000 0.454 142 I N -1.821 118.751 120.570 0.004 0.000 3.684 142 I HA 0.264 4.434 4.170 -0.000 0.000 0.304 142 I C 0.798 176.922 176.117 0.012 0.000 1.278 142 I CA -0.512 60.795 61.300 0.011 0.000 1.272 142 I CB 0.063 38.076 38.000 0.021 0.000 1.029 142 I HN -0.214 nan 8.210 nan 0.000 0.458 143 A N 2.176 125.001 122.820 0.009 0.000 2.462 143 A HA 0.494 4.814 4.320 -0.000 0.000 0.243 143 A C 0.043 177.632 177.584 0.009 0.000 1.076 143 A CA -0.171 51.872 52.037 0.010 0.000 0.773 143 A CB 0.059 19.064 19.000 0.009 0.000 1.010 143 A HN 0.424 nan 8.150 nan 0.000 0.493 144 I N 3.285 123.861 120.570 0.010 0.000 2.325 144 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 144 I C 0.235 176.358 176.117 0.010 0.000 1.019 144 I CA -0.543 60.762 61.300 0.009 0.000 1.302 144 I CB 0.692 38.697 38.000 0.009 0.000 1.401 144 I HN 0.581 nan 8.210 nan 0.000 0.485 145 R N 5.314 125.820 120.500 0.010 0.000 2.357 145 R HA 0.612 4.952 4.340 -0.000 0.000 0.296 145 R C -0.547 175.762 176.300 0.014 0.000 1.052 145 R CA -0.498 55.609 56.100 0.013 0.000 0.988 145 R CB 1.873 32.180 30.300 0.012 0.000 1.025 145 R HN 0.441 nan 8.270 nan 0.000 0.469 146 V N 1.319 121.244 119.914 0.017 0.000 3.181 146 V HA 0.244 4.364 4.120 -0.000 0.000 0.308 146 V C -1.101 175.008 176.094 0.026 0.000 1.214 146 V CA -0.961 61.350 62.300 0.018 0.000 1.053 146 V CB 2.756 34.587 31.823 0.014 0.000 1.069 146 V HN 0.655 nan 8.190 nan 0.000 0.441 147 D N 4.465 124.881 120.400 0.028 0.000 2.382 147 D HA 0.199 4.839 4.640 -0.000 0.000 0.259 147 D C -1.735 174.591 176.300 0.044 0.000 1.224 147 D CA -1.023 53.003 54.000 0.043 0.000 0.894 147 D CB 1.742 42.566 40.800 0.040 0.000 1.127 147 D HN 0.364 nan 8.370 nan 0.000 0.487 148 P HA -0.196 nan 4.420 nan 0.000 0.219 148 P C 0.443 177.721 177.300 -0.037 0.000 1.151 148 P CA 1.307 64.445 63.100 0.063 0.000 0.850 148 P CB 0.224 32.043 31.700 0.199 0.000 0.784 149 D N -3.006 117.380 120.400 -0.023 0.000 2.538 149 D HA -0.001 4.639 4.640 -0.000 0.000 0.231 149 D C -0.055 176.217 176.300 -0.047 0.000 1.229 149 D CA -0.280 53.651 54.000 -0.114 0.000 0.828 149 D CB -1.058 39.651 40.800 -0.151 0.000 1.035 149 D HN 0.082 nan 8.370 nan 0.000 0.495 150 D N 1.842 122.232 120.400 -0.017 0.000 2.346 150 D HA -0.088 4.551 4.640 -0.000 0.000 0.267 150 D C 0.976 177.266 176.300 -0.016 0.000 1.320 150 D CA 0.166 54.162 54.000 -0.007 0.000 0.951 150 D CB 0.765 41.567 40.800 0.003 0.000 1.079 150 D HN 0.258 nan 8.370 nan 0.000 0.509 151 E N 3.164 123.354 120.200 -0.017 0.000 2.086 151 E HA -0.297 4.052 4.350 -0.000 0.000 0.200 151 E C 1.497 178.092 176.600 -0.009 0.000 1.012 151 E CA 1.460 57.850 56.400 -0.017 0.000 0.812 151 E CB 0.161 29.855 29.700 -0.010 0.000 0.743 151 E HN 0.702 nan 8.360 nan 0.000 0.453 152 E N -0.535 119.663 120.200 -0.003 0.000 2.058 152 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 152 E C 2.108 178.709 176.600 0.001 0.000 0.997 152 E CA 1.964 58.365 56.400 0.000 0.000 0.801 152 E CB -0.240 29.461 29.700 0.003 0.000 0.746 152 E HN 0.313 nan 8.360 nan 0.000 0.450 153 T N -0.564 113.989 114.554 -0.000 0.000 2.821 153 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 153 T C 1.883 176.582 174.700 -0.002 0.000 1.046 153 T CA 0.902 63.003 62.100 0.001 0.000 1.139 153 T CB -0.163 68.707 68.868 0.002 0.000 0.871 153 T HN 0.095 nan 8.240 nan 0.000 0.454 154 L N 0.560 121.777 121.223 -0.010 0.000 2.046 154 L HA 0.106 4.446 4.340 -0.000 0.000 0.208 154 L C 2.467 179.335 176.870 -0.005 0.000 1.077 154 L CA 1.208 56.039 54.840 -0.015 0.000 0.747 154 L CB -1.169 40.870 42.059 -0.032 0.000 0.896 154 L HN 0.291 nan 8.230 nan 0.000 0.432 155 L N -0.655 120.567 121.223 -0.002 0.000 2.046 155 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 155 L C 2.431 179.307 176.870 0.010 0.000 1.077 155 L CA 1.658 56.501 54.840 0.005 0.000 0.747 155 L CB -0.857 41.206 42.059 0.005 0.000 0.896 155 L HN 0.267 nan 8.230 nan 0.000 0.432 156 K N -1.068 119.338 120.400 0.010 0.000 2.097 156 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 156 K C 1.991 178.601 176.600 0.016 0.000 1.050 156 K CA 0.856 57.151 56.287 0.014 0.000 0.938 156 K CB -0.070 32.438 32.500 0.013 0.000 0.718 156 K HN 0.151 nan 8.250 nan 0.000 0.442 157 I N 1.256 121.833 120.570 0.012 0.000 2.226 157 I HA -0.229 3.940 4.170 -0.000 0.000 0.245 157 I C 2.457 178.583 176.117 0.016 0.000 1.100 157 I CA 1.308 62.615 61.300 0.012 0.000 1.374 157 I CB -1.241 36.763 38.000 0.007 0.000 1.057 157 I HN 0.115 nan 8.210 nan 0.000 0.413 158 A N 0.788 123.617 122.820 0.016 0.000 1.877 158 A HA -0.110 4.209 4.320 -0.000 0.000 0.216 158 A C 2.567 180.166 177.584 0.025 0.000 1.186 158 A CA 1.986 54.036 52.037 0.021 0.000 0.620 158 A CB -0.816 18.197 19.000 0.022 0.000 0.822 158 A HN 0.410 nan 8.150 nan 0.000 0.443 159 A N -1.025 121.810 122.820 0.025 0.000 1.902 159 A HA -0.076 4.243 4.320 -0.000 0.000 0.217 159 A C 2.289 179.895 177.584 0.037 0.000 1.181 159 A CA 2.274 54.329 52.037 0.030 0.000 0.623 159 A CB -1.295 17.721 19.000 0.027 0.000 0.818 159 A HN 0.432 nan 8.150 nan 0.000 0.443 160 T N -0.464 114.111 114.554 0.034 0.000 2.720 160 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 160 T C 2.260 176.980 174.700 0.032 0.000 1.037 160 T CA 1.747 63.870 62.100 0.038 0.000 1.144 160 T CB -0.343 68.543 68.868 0.030 0.000 0.864 160 T HN 0.551 nan 8.240 nan 0.000 0.444 161 S N 0.617 116.332 115.700 0.025 0.000 2.368 161 S HA -0.031 4.439 4.470 -0.000 0.000 0.225 161 S C 2.016 176.628 174.600 0.020 0.000 1.030 161 S CA 0.877 59.088 58.200 0.019 0.000 0.999 161 S CB -0.461 62.749 63.200 0.016 0.000 0.844 161 S HN 0.491 nan 8.310 nan 0.000 0.459 162 I N 1.615 122.201 120.570 0.026 0.000 2.439 162 I HA -0.060 4.109 4.170 -0.000 0.000 0.251 162 I C 1.265 177.405 176.117 0.039 0.000 1.139 162 I CA 0.745 62.062 61.300 0.028 0.000 1.438 162 I CB -0.905 37.114 38.000 0.032 0.000 1.085 162 I HN 0.412 nan 8.210 nan 0.000 0.427 163 T N -0.161 114.425 114.554 0.054 0.000 2.937 163 T HA 0.265 4.614 4.350 -0.000 0.000 0.316 163 T C 1.132 175.873 174.700 0.068 0.000 1.079 163 T CA 0.202 62.353 62.100 0.086 0.000 1.131 163 T CB 1.136 70.085 68.868 0.136 0.000 1.000 163 T HN 0.632 nan 8.240 nan 0.000 0.549 164 G N 1.750 110.600 108.800 0.084 0.000 2.132 164 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.234 164 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.234 164 G C -0.119 174.798 174.900 0.030 0.000 0.989 164 G CA 0.311 45.439 45.100 0.046 0.000 0.676 164 G HN 0.955 nan 8.290 nan 0.000 0.522 165 K N -1.105 119.316 120.400 0.036 0.000 2.400 165 K HA 0.471 4.791 4.320 -0.000 0.000 0.246 165 K C 0.909 177.528 176.600 0.030 0.000 0.995 165 K CA -0.526 55.776 56.287 0.024 0.000 0.840 165 K CB 1.197 33.707 32.500 0.017 0.000 1.293 165 K HN 0.003 nan 8.250 nan 0.000 0.445 166 N N 1.033 119.749 118.700 0.027 0.000 2.184 166 N HA -0.225 4.514 4.740 -0.000 0.000 0.190 166 N C 0.913 176.452 175.510 0.048 0.000 1.011 166 N CA 1.965 55.035 53.050 0.033 0.000 0.867 166 N CB 0.061 38.567 38.487 0.031 0.000 0.993 166 N HN 0.619 nan 8.380 nan 0.000 0.433 167 A N -0.063 122.790 122.820 0.055 0.000 2.415 167 A HA 0.096 4.416 4.320 -0.000 0.000 0.248 167 A C 1.445 179.078 177.584 0.081 0.000 1.299 167 A CA 0.022 52.117 52.037 0.098 0.000 0.899 167 A CB -0.512 18.541 19.000 0.089 0.000 0.997 167 A HN 0.640 nan 8.150 nan 0.000 0.506 168 E N 0.084 120.309 120.200 0.040 0.000 2.267 168 E HA -0.168 4.182 4.350 -0.000 0.000 0.197 168 E C 1.460 178.039 176.600 -0.034 0.000 0.998 168 E CA 1.430 57.844 56.400 0.023 0.000 0.830 168 E CB -0.491 29.233 29.700 0.041 0.000 0.751 168 E HN 0.425 nan 8.360 nan 0.000 0.491 169 S N 0.830 116.470 115.700 -0.100 0.000 2.400 169 S HA -0.168 4.302 4.470 -0.000 0.000 0.232 169 S C 0.715 175.064 174.600 -0.419 0.000 1.025 169 S CA 1.645 59.671 58.200 -0.291 0.000 0.993 169 S CB -0.329 62.618 63.200 -0.421 0.000 0.808 169 S HN 0.558 nan 8.310 nan 0.000 0.478 170 H N 0.635 119.705 119.070 0.001 0.000 2.472 170 H HA 0.259 4.815 4.556 -0.000 0.000 0.287 170 H C 1.383 176.714 175.328 0.005 0.000 1.112 170 H CA -0.260 55.789 56.048 0.002 0.000 1.021 170 H CB 0.055 29.821 29.762 0.006 0.000 1.635 170 H HN 0.444 nan 8.280 nan 0.000 0.559 171 K N 0.660 121.097 120.400 0.062 0.000 2.211 171 K HA -0.211 4.109 4.320 -0.000 0.000 0.204 171 K C 1.728 178.356 176.600 0.048 0.000 1.047 171 K CA 1.725 58.044 56.287 0.053 0.000 0.935 171 K CB 0.282 32.801 32.500 0.032 0.000 0.728 171 K HN 0.413 nan 8.250 nan 0.000 0.452 172 E N 1.108 121.332 120.200 0.040 0.000 2.031 172 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 172 E C 2.064 178.691 176.600 0.045 0.000 0.994 172 E CA 1.158 57.578 56.400 0.033 0.000 0.800 172 E CB -0.089 29.625 29.700 0.023 0.000 0.752 172 E HN 0.350 nan 8.360 nan 0.000 0.447 173 L N 1.068 122.330 121.223 0.065 0.000 1.994 173 L HA -0.168 4.171 4.340 -0.000 0.000 0.208 173 L C 2.242 179.145 176.870 0.055 0.000 1.071 173 L CA 1.682 56.558 54.840 0.060 0.000 0.745 173 L CB -0.522 41.581 42.059 0.074 0.000 0.892 173 L HN 0.238 nan 8.230 nan 0.000 0.431 174 L N -0.436 120.827 121.223 0.066 0.000 2.131 174 L HA -0.148 4.191 4.340 -0.000 0.000 0.210 174 L C 2.693 179.594 176.870 0.052 0.000 1.092 174 L CA 1.035 55.910 54.840 0.058 0.000 0.759 174 L CB -1.032 41.062 42.059 0.058 0.000 0.903 174 L HN 0.426 nan 8.230 nan 0.000 0.435 175 A N 0.103 122.951 122.820 0.045 0.000 1.930 175 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 175 A C 2.430 180.033 177.584 0.032 0.000 1.175 175 A CA 1.734 53.793 52.037 0.037 0.000 0.627 175 A CB -0.369 18.649 19.000 0.030 0.000 0.815 175 A HN 0.307 nan 8.150 nan 0.000 0.443 176 K N -0.109 120.310 120.400 0.032 0.000 2.002 176 K HA -0.095 4.225 4.320 -0.000 0.000 0.209 176 K C 1.922 178.539 176.600 0.028 0.000 1.048 176 K CA 1.543 57.846 56.287 0.026 0.000 0.930 176 K CB -0.367 32.148 32.500 0.026 0.000 0.714 176 K HN 0.484 nan 8.250 nan 0.000 0.438 177 L N 0.473 121.719 121.223 0.039 0.000 2.042 177 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 177 L C 2.705 179.604 176.870 0.049 0.000 1.076 177 L CA 1.367 56.234 54.840 0.045 0.000 0.749 177 L CB -0.747 41.349 42.059 0.062 0.000 0.893 177 L HN 0.308 nan 8.230 nan 0.000 0.432 178 A N -0.084 122.774 122.820 0.063 0.000 1.877 178 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 178 A C 2.370 179.973 177.584 0.031 0.000 1.186 178 A CA 1.822 53.901 52.037 0.070 0.000 0.620 178 A CB -0.862 18.184 19.000 0.077 0.000 0.822 178 A HN 0.173 nan 8.150 nan 0.000 0.443 179 V N 0.186 120.110 119.914 0.017 0.000 2.295 179 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 179 V C 2.446 178.531 176.094 -0.016 0.000 1.049 179 V CA 2.367 64.663 62.300 -0.005 0.000 1.024 179 V CB -0.911 30.909 31.823 -0.006 0.000 0.648 179 V HN 0.647 nan 8.190 nan 0.000 0.447 180 E N 0.198 120.395 120.200 -0.005 0.000 2.085 180 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 180 E C 2.326 178.915 176.600 -0.018 0.000 0.994 180 E CA 1.357 57.752 56.400 -0.010 0.000 0.801 180 E CB -0.363 29.338 29.700 0.001 0.000 0.743 180 E HN 0.608 nan 8.360 nan 0.000 0.453 181 A N 0.941 123.751 122.820 -0.016 0.000 1.877 181 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 181 A C 2.524 180.081 177.584 -0.045 0.000 1.186 181 A CA 1.444 53.459 52.037 -0.037 0.000 0.620 181 A CB -0.720 18.252 19.000 -0.046 0.000 0.822 181 A HN 0.127 nan 8.150 nan 0.000 0.443 182 V N 0.124 120.015 119.914 -0.038 0.000 2.358 182 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 182 V C 2.389 178.442 176.094 -0.069 0.000 1.047 182 V CA 2.259 64.530 62.300 -0.048 0.000 1.035 182 V CB -0.706 31.092 31.823 -0.041 0.000 0.658 182 V HN 0.529 nan 8.190 nan 0.000 0.452 183 K N -0.124 120.229 120.400 -0.079 0.000 2.148 183 K HA -0.229 4.091 4.320 -0.000 0.000 0.204 183 K C 2.265 178.834 176.600 -0.051 0.000 1.050 183 K CA 1.434 57.657 56.287 -0.105 0.000 0.942 183 K CB -0.151 32.293 32.500 -0.094 0.000 0.724 183 K HN 0.337 nan 8.250 nan 0.000 0.446 184 Q N 1.010 120.791 119.800 -0.031 0.000 2.172 184 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 184 Q C 1.737 177.734 176.000 -0.005 0.000 0.964 184 Q CA 1.317 57.113 55.803 -0.012 0.000 0.855 184 Q CB 0.186 28.915 28.738 -0.015 0.000 0.918 184 Q HN 0.266 nan 8.270 nan 0.000 0.444 185 V N -2.636 117.267 119.914 -0.017 0.000 3.650 185 V HA 0.524 4.644 4.120 -0.000 0.000 0.271 185 V C 0.850 176.954 176.094 0.016 0.000 1.281 185 V CA 0.127 62.421 62.300 -0.010 0.000 1.120 185 V CB -0.892 30.911 31.823 -0.034 0.000 0.856 185 V HN 0.258 nan 8.190 nan 0.000 0.443 186 A N 1.113 123.947 122.820 0.024 0.000 2.498 186 A HA 0.380 4.700 4.320 -0.000 0.000 0.239 186 A C 0.199 177.886 177.584 0.172 0.000 1.068 186 A CA 0.096 52.184 52.037 0.084 0.000 0.766 186 A CB -0.204 18.800 19.000 0.006 0.000 1.003 186 A HN 0.712 nan 8.150 nan 0.000 0.497 187 E N 1.142 121.452 120.200 0.184 0.000 2.155 187 E HA 0.285 4.635 4.350 -0.000 0.000 0.264 187 E C -0.764 175.886 176.600 0.083 0.000 0.886 187 E CA -0.505 55.967 56.400 0.119 0.000 0.752 187 E CB 1.666 31.398 29.700 0.054 0.000 1.133 187 E HN 0.574 nan 8.360 nan 0.000 0.414 188 K N 3.888 124.259 120.400 -0.049 0.000 2.268 188 K HA 0.111 4.431 4.320 -0.000 0.000 0.276 188 K C 0.813 177.298 176.600 -0.192 0.000 1.080 188 K CA -0.214 55.861 56.287 -0.353 0.000 0.910 188 K CB 0.462 32.577 32.500 -0.642 0.000 1.163 188 K HN 0.433 nan 8.250 nan 0.000 0.465 189 K N 1.822 122.132 120.400 -0.150 0.000 2.186 189 K HA -0.012 4.308 4.320 -0.000 0.000 0.202 189 K C -0.655 175.885 176.600 -0.100 0.000 1.052 189 K CA 0.523 56.756 56.287 -0.091 0.000 0.965 189 K CB 0.079 32.545 32.500 -0.056 0.000 0.746 189 K HN 0.548 nan 8.250 nan 0.000 0.457 190 D N -1.360 118.958 120.400 -0.135 0.000 2.369 190 D HA 0.133 4.773 4.640 -0.000 0.000 0.185 190 D C 0.459 176.685 176.300 -0.123 0.000 1.253 190 D CA -0.002 53.930 54.000 -0.113 0.000 1.107 190 D CB -0.115 40.644 40.800 -0.068 0.000 1.588 190 D HN 0.191 nan 8.370 nan 0.000 0.561 191 G N 1.271 109.973 108.800 -0.165 0.000 2.451 191 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.253 191 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.253 191 G C 0.179 174.995 174.900 -0.140 0.000 1.033 191 G CA 0.875 45.896 45.100 -0.131 0.000 0.633 191 G HN 0.673 nan 8.290 nan 0.000 0.537 192 K N 0.229 120.539 120.400 -0.150 0.000 2.292 192 K HA 0.706 5.025 4.320 -0.000 0.000 0.257 192 K C -0.478 176.052 176.600 -0.117 0.000 0.940 192 K CA -0.686 55.561 56.287 -0.067 0.000 0.811 192 K CB 1.050 33.543 32.500 -0.013 0.000 1.120 192 K HN 0.266 nan 8.250 nan 0.000 0.428 193 Y N 0.194 120.495 120.300 0.001 0.000 2.374 193 Y HA 0.605 5.154 4.550 -0.000 0.000 0.322 193 Y C 0.077 175.977 175.900 0.000 0.000 1.275 193 Y CA -0.740 57.360 58.100 0.000 0.000 1.307 193 Y CB 1.366 39.826 38.460 0.001 0.000 1.282 193 Y HN 0.217 nan 8.280 nan 0.000 0.509 194 V N 1.980 122.005 119.914 0.184 0.000 2.808 194 V HA 0.665 4.785 4.120 -0.000 0.000 0.308 194 V C -1.760 174.388 176.094 0.090 0.000 1.099 194 V CA -0.704 61.655 62.300 0.099 0.000 0.920 194 V CB 1.958 33.814 31.823 0.054 0.000 1.014 194 V HN 0.494 nan 8.190 nan 0.000 0.425 195 V N 5.561 125.509 119.914 0.056 0.000 2.407 195 V HA 0.461 4.580 4.120 -0.000 0.000 0.291 195 V C -0.657 175.447 176.094 0.017 0.000 1.018 195 V CA -0.569 61.751 62.300 0.033 0.000 0.842 195 V CB 1.705 33.538 31.823 0.016 0.000 0.996 195 V HN 0.920 nan 8.190 nan 0.000 0.426 196 D N 4.448 124.853 120.400 0.008 0.000 2.380 196 D HA 0.265 4.905 4.640 -0.000 0.000 0.230 196 D C 0.998 177.289 176.300 -0.015 0.000 1.154 196 D CA -0.193 53.807 54.000 -0.001 0.000 0.859 196 D CB 1.470 42.268 40.800 -0.005 0.000 1.045 196 D HN 0.464 nan 8.370 nan 0.000 0.495 197 L N 2.608 123.825 121.223 -0.010 0.000 2.549 197 L HA -0.092 4.247 4.340 -0.000 0.000 0.230 197 L C 1.221 178.064 176.870 -0.045 0.000 1.162 197 L CA 0.544 55.372 54.840 -0.020 0.000 0.834 197 L CB -0.019 42.048 42.059 0.012 0.000 0.947 197 L HN 0.327 nan 8.230 nan 0.000 0.452 198 D N -0.016 120.362 120.400 -0.037 0.000 2.371 198 D HA -0.083 4.557 4.640 -0.000 0.000 0.221 198 D C 1.325 177.579 176.300 -0.075 0.000 0.986 198 D CA 0.596 54.567 54.000 -0.048 0.000 0.899 198 D CB -0.005 40.777 40.800 -0.031 0.000 0.902 198 D HN 0.360 nan 8.370 nan 0.000 0.530 199 N N 0.221 118.874 118.700 -0.079 0.000 2.336 199 N HA 0.083 4.823 4.740 -0.000 0.000 0.189 199 N C 0.245 175.673 175.510 -0.136 0.000 1.113 199 N CA 0.127 53.123 53.050 -0.090 0.000 0.858 199 N CB 1.227 39.677 38.487 -0.062 0.000 0.970 199 N HN 0.262 nan 8.380 nan 0.000 0.471 200 I N 1.073 121.530 120.570 -0.189 0.000 2.382 200 I HA 0.173 4.343 4.170 -0.000 0.000 0.285 200 I C 0.150 175.992 176.117 -0.459 0.000 1.007 200 I CA -0.646 60.465 61.300 -0.315 0.000 1.142 200 I CB 1.546 39.335 38.000 -0.352 0.000 1.289 200 I HN -0.238 nan 8.210 nan 0.000 0.453 201 K N 6.520 126.675 120.400 -0.408 0.000 2.110 201 K HA 0.543 4.863 4.320 -0.000 0.000 0.263 201 K C -1.455 174.866 176.600 -0.465 0.000 0.975 201 K CA -0.367 55.707 56.287 -0.356 0.000 0.895 201 K CB 1.093 33.474 32.500 -0.198 0.000 1.060 201 K HN 0.340 nan 8.250 nan 0.000 0.448 202 F N 2.377 122.301 119.950 -0.044 0.000 2.402 202 F HA 0.223 4.749 4.527 -0.000 0.000 0.355 202 F C -0.049 175.722 175.800 -0.048 0.000 1.123 202 F CA -0.862 57.114 58.000 -0.040 0.000 1.021 202 F CB 1.803 40.786 39.000 -0.030 0.000 1.160 202 F HN 0.523 nan 8.300 nan 0.000 0.451 203 E N 4.205 124.475 120.200 0.117 0.000 2.171 203 E HA 0.406 4.756 4.350 -0.000 0.000 0.271 203 E C -1.378 175.252 176.600 0.051 0.000 0.916 203 E CA -0.726 55.696 56.400 0.036 0.000 0.774 203 E CB 1.075 30.748 29.700 -0.046 0.000 1.128 203 E HN 0.439 nan 8.360 nan 0.000 0.403 204 K N 3.648 124.067 120.400 0.031 0.000 2.270 204 K HA 0.562 4.882 4.320 -0.000 0.000 0.255 204 K C -0.780 175.828 176.600 0.015 0.000 0.936 204 K CA -1.127 55.172 56.287 0.020 0.000 0.809 204 K CB 1.563 34.065 32.500 0.003 0.000 1.131 204 K HN 0.143 nan 8.250 nan 0.000 0.427 205 K N 1.769 122.181 120.400 0.020 0.000 2.656 205 K HA 0.317 4.637 4.320 -0.000 0.000 0.253 205 K C -1.091 175.520 176.600 0.019 0.000 1.002 205 K CA -0.485 55.817 56.287 0.024 0.000 0.880 205 K CB 2.001 34.528 32.500 0.045 0.000 1.232 205 K HN 0.854 nan 8.250 nan 0.000 0.456 206 A N 1.332 124.160 122.820 0.013 0.000 2.466 206 A HA 0.682 5.001 4.320 -0.000 0.000 0.238 206 A C 0.561 178.155 177.584 0.017 0.000 1.074 206 A CA 1.073 53.118 52.037 0.012 0.000 0.774 206 A CB 0.117 19.124 19.000 0.012 0.000 1.015 206 A HN 0.868 nan 8.150 nan 0.000 0.498 207 G N 0.463 109.271 108.800 0.014 0.000 2.402 207 G HA2 0.458 4.417 3.960 -0.000 0.000 0.666 207 G HA3 0.458 4.417 3.960 -0.000 0.000 0.666 207 G C -0.504 174.401 174.900 0.008 0.000 1.402 207 G CA -0.068 45.040 45.100 0.014 0.000 0.920 207 G HN 1.400 nan 8.290 nan 0.000 0.651 208 E N -1.829 118.374 120.200 0.006 0.000 3.611 208 E HA -0.103 4.247 4.350 -0.000 0.000 0.238 208 E C 0.770 177.367 176.600 -0.006 0.000 1.468 208 E CA 1.692 58.092 56.400 -0.000 0.000 2.235 208 E CB -1.293 28.405 29.700 -0.003 0.000 2.090 208 E HN 2.033 nan 8.360 nan 0.000 0.483 209 G N -1.321 107.465 108.800 -0.023 0.000 2.630 209 G HA2 0.488 4.448 3.960 -0.000 0.000 0.296 209 G HA3 0.488 4.448 3.960 -0.000 0.000 0.296 209 G C 0.775 175.610 174.900 -0.108 0.000 1.285 209 G CA -0.090 44.984 45.100 -0.043 0.000 0.958 209 G HN 0.259 nan 8.290 nan 0.000 0.479 210 V N -0.120 119.688 119.914 -0.178 0.000 2.568 210 V HA -0.139 3.981 4.120 -0.000 0.000 0.253 210 V C 2.636 178.478 176.094 -0.421 0.000 1.072 210 V CA 2.334 64.470 62.300 -0.273 0.000 1.084 210 V CB -0.328 31.328 31.823 -0.279 0.000 0.676 210 V HN 0.820 nan 8.190 nan 0.000 0.469 211 E N 0.619 120.503 120.200 -0.528 0.000 2.265 211 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 211 E C 1.769 178.289 176.600 -0.133 0.000 0.996 211 E CA 0.982 57.175 56.400 -0.344 0.000 0.832 211 E CB -0.076 29.545 29.700 -0.133 0.000 0.756 211 E HN 0.590 nan 8.360 nan 0.000 0.491 212 E N -0.314 119.825 120.200 -0.101 0.000 2.489 212 E HA 0.140 4.490 4.350 -0.000 0.000 0.193 212 E C -0.202 176.386 176.600 -0.020 0.000 1.057 212 E CA -0.006 56.369 56.400 -0.041 0.000 0.866 212 E CB 0.366 30.052 29.700 -0.023 0.000 0.916 212 E HN -0.000 nan 8.360 nan 0.000 0.500 213 S N 1.565 117.242 115.700 -0.039 0.000 2.568 213 S HA 0.152 4.622 4.470 -0.000 0.000 0.282 213 S C 0.331 174.943 174.600 0.021 0.000 1.338 213 S CA -0.023 58.176 58.200 -0.002 0.000 1.045 213 S CB 0.395 63.588 63.200 -0.013 0.000 0.873 213 S HN 0.311 nan 8.310 nan 0.000 0.516 214 E N 0.329 120.558 120.200 0.047 0.000 2.454 214 E HA 0.603 4.953 4.350 -0.000 0.000 0.279 214 E C -1.750 174.885 176.600 0.058 0.000 1.029 214 E CA -1.054 55.377 56.400 0.051 0.000 0.831 214 E CB 0.781 30.516 29.700 0.058 0.000 1.405 214 E HN 0.321 nan 8.360 nan 0.000 0.463 215 L N 1.444 122.695 121.223 0.047 0.000 2.305 215 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 215 L C -1.474 175.418 176.870 0.037 0.000 1.013 215 L CA -0.732 54.128 54.840 0.033 0.000 0.819 215 L CB 1.652 43.724 42.059 0.022 0.000 1.227 215 L HN 0.510 nan 8.230 nan 0.000 0.417 216 V N 6.227 126.158 119.914 0.028 0.000 2.370 216 V HA 0.430 4.550 4.120 -0.000 0.000 0.279 216 V C 0.562 176.659 176.094 0.004 0.000 1.029 216 V CA -0.597 61.727 62.300 0.039 0.000 0.870 216 V CB 1.122 32.970 31.823 0.043 0.000 0.984 216 V HN 0.632 nan 8.190 nan 0.000 0.451 217 R N 4.398 124.907 120.500 0.015 0.000 3.710 217 R HA 0.508 4.848 4.340 -0.000 0.000 0.201 217 R C 0.709 177.005 176.300 -0.006 0.000 1.641 217 R CA 0.293 56.394 56.100 0.002 0.000 1.390 217 R CB 0.096 30.406 30.300 0.016 0.000 1.341 217 R HN 0.965 nan 8.270 nan 0.000 0.728 218 G N -0.414 108.367 108.800 -0.032 0.000 2.512 218 G HA2 0.123 4.083 3.960 -0.000 0.000 0.181 218 G HA3 0.123 4.083 3.960 -0.000 0.000 0.181 218 G C -1.526 173.318 174.900 -0.093 0.000 1.173 218 G CA -0.643 44.425 45.100 -0.052 0.000 0.988 218 G HN 0.094 nan 8.290 nan 0.000 0.485 219 V N -0.025 119.816 119.914 -0.122 0.000 2.735 219 V HA 0.731 4.851 4.120 -0.000 0.000 0.310 219 V C -0.368 175.589 176.094 -0.229 0.000 1.061 219 V CA -0.764 61.429 62.300 -0.178 0.000 0.913 219 V CB 1.745 33.437 31.823 -0.219 0.000 1.005 219 V HN 0.733 nan 8.190 nan 0.000 0.428 220 V N 5.168 124.909 119.914 -0.288 0.000 2.409 220 V HA 0.550 4.670 4.120 -0.000 0.000 0.291 220 V C -0.399 175.516 176.094 -0.299 0.000 1.020 220 V CA -0.294 61.730 62.300 -0.461 0.000 0.848 220 V CB 1.579 33.047 31.823 -0.592 0.000 0.990 220 V HN 0.680 nan 8.190 nan 0.000 0.430 221 I N 3.186 123.612 120.570 -0.240 0.000 2.436 221 I HA 0.336 4.506 4.170 -0.000 0.000 0.289 221 I C -0.381 175.694 176.117 -0.070 0.000 1.010 221 I CA -0.539 60.689 61.300 -0.121 0.000 1.098 221 I CB 2.082 40.048 38.000 -0.056 0.000 1.266 221 I HN 0.519 nan 8.210 nan 0.000 0.434 222 D N 7.213 127.584 120.400 -0.048 0.000 2.545 222 D HA 0.163 4.803 4.640 -0.000 0.000 0.227 222 D C -0.428 175.881 176.300 0.015 0.000 1.150 222 D CA 0.488 54.480 54.000 -0.014 0.000 1.046 222 D CB 0.184 40.976 40.800 -0.013 0.000 1.098 222 D HN 0.219 nan 8.370 nan 0.000 0.502 223 K N 1.295 121.717 120.400 0.037 0.000 2.499 223 K HA 0.457 4.777 4.320 -0.000 0.000 0.277 223 K C -0.540 176.098 176.600 0.063 0.000 1.025 223 K CA -0.720 55.601 56.287 0.055 0.000 0.900 223 K CB 1.731 34.282 32.500 0.084 0.000 1.494 223 K HN 0.213 nan 8.250 nan 0.000 0.442 224 E N 0.392 120.624 120.200 0.054 0.000 2.299 224 E HA 0.347 4.697 4.350 -0.000 0.000 0.265 224 E C -0.770 175.852 176.600 0.036 0.000 0.911 224 E CA -1.060 55.367 56.400 0.046 0.000 0.789 224 E CB 2.477 32.196 29.700 0.032 0.000 1.246 224 E HN 0.096 nan 8.360 nan 0.000 0.427 225 V N 2.444 122.374 119.914 0.027 0.000 2.585 225 V HA -0.083 4.037 4.120 -0.000 0.000 0.296 225 V C 1.326 177.432 176.094 0.020 0.000 1.035 225 V CA 0.476 62.781 62.300 0.008 0.000 1.084 225 V CB 1.236 33.064 31.823 0.010 0.000 0.953 225 V HN 0.642 nan 8.190 nan 0.000 0.483 226 V N 4.525 124.454 119.914 0.025 0.000 2.407 226 V HA -0.137 3.982 4.120 -0.000 0.000 0.248 226 V C 0.859 177.005 176.094 0.087 0.000 1.055 226 V CA 1.893 64.223 62.300 0.049 0.000 1.049 226 V CB -0.368 31.486 31.823 0.051 0.000 0.662 226 V HN 1.007 nan 8.190 nan 0.000 0.455 227 H N -1.150 117.920 119.070 -0.000 0.000 2.495 227 H HA 0.416 4.972 4.556 -0.000 0.000 0.348 227 H C -1.828 173.505 175.328 0.008 0.000 1.113 227 H CA -1.862 54.191 56.048 0.009 0.000 1.195 227 H CB 2.184 31.957 29.762 0.017 0.000 1.521 227 H HN -0.056 nan 8.280 nan 0.000 0.509 228 P HA -0.158 nan 4.420 nan 0.000 0.216 228 P C 1.335 178.601 177.300 -0.055 0.000 1.153 228 P CA 1.094 64.058 63.100 -0.227 0.000 0.858 228 P CB 0.323 31.842 31.700 -0.303 0.000 0.789 229 R N -1.215 119.340 120.500 0.093 0.000 2.276 229 R HA 0.129 4.469 4.340 -0.000 0.000 0.203 229 R C 1.031 177.427 176.300 0.159 0.000 1.017 229 R CA 0.381 56.598 56.100 0.196 0.000 1.010 229 R CB -0.570 29.907 30.300 0.296 0.000 0.900 229 R HN 0.353 nan 8.270 nan 0.000 0.469 230 M N 1.054 120.759 119.600 0.176 0.000 2.226 230 M HA 0.146 4.625 4.480 -0.000 0.000 0.324 230 M C -1.998 174.330 176.300 0.048 0.000 1.112 230 M CA -1.482 53.872 55.300 0.090 0.000 1.176 230 M CB -0.045 32.602 32.600 0.079 0.000 1.430 230 M HN -0.270 nan 8.290 nan 0.000 0.462 231 P HA 0.062 nan 4.420 nan 0.000 0.271 231 P C -0.302 177.006 177.300 0.012 0.000 1.216 231 P CA -0.070 63.040 63.100 0.017 0.000 0.771 231 P CB 0.482 32.189 31.700 0.012 0.000 0.864 232 K N 1.929 122.336 120.400 0.013 0.000 2.426 232 K HA 0.080 4.400 4.320 -0.000 0.000 0.193 232 K C 0.640 177.249 176.600 0.015 0.000 1.028 232 K CA 0.495 56.791 56.287 0.014 0.000 1.047 232 K CB 0.382 32.889 32.500 0.011 0.000 0.821 232 K HN 0.438 nan 8.250 nan 0.000 0.513 233 R N 0.139 120.645 120.500 0.011 0.000 2.522 233 R HA 0.267 4.607 4.340 -0.000 0.000 0.273 233 R C -1.867 174.438 176.300 0.008 0.000 1.133 233 R CA -0.266 55.840 56.100 0.010 0.000 0.969 233 R CB 1.554 31.856 30.300 0.003 0.000 1.235 233 R HN -0.228 nan 8.270 nan 0.000 0.433 234 V N 4.460 124.379 119.914 0.007 0.000 2.487 234 V HA 0.265 4.385 4.120 -0.000 0.000 0.298 234 V C 0.567 176.660 176.094 -0.002 0.000 1.028 234 V CA -0.770 61.532 62.300 0.004 0.000 0.860 234 V CB 1.709 33.532 31.823 -0.001 0.000 0.991 234 V HN 0.800 nan 8.190 nan 0.000 0.427 235 E N 2.595 122.798 120.200 0.005 0.000 2.306 235 E HA 0.005 4.355 4.350 -0.000 0.000 0.277 235 E C 0.421 177.015 176.600 -0.010 0.000 0.826 235 E CA 0.569 56.973 56.400 0.007 0.000 1.583 235 E CB -0.134 29.582 29.700 0.027 0.000 1.089 235 E HN 0.624 nan 8.360 nan 0.000 0.580 236 N N 1.883 120.608 118.700 0.042 0.000 2.605 236 N HA 0.180 4.919 4.740 -0.000 0.000 0.282 236 N C -0.533 175.005 175.510 0.048 0.000 1.206 236 N CA 0.062 53.169 53.050 0.094 0.000 1.074 236 N CB 0.137 38.788 38.487 0.274 0.000 1.434 236 N HN 0.179 nan 8.380 nan 0.000 0.506 237 A N 2.199 124.960 122.820 -0.098 0.000 2.477 237 A HA 0.095 4.415 4.320 -0.000 0.000 0.246 237 A C 0.488 178.081 177.584 0.016 0.000 1.078 237 A CA 0.048 52.058 52.037 -0.045 0.000 0.770 237 A CB 0.481 19.445 19.000 -0.059 0.000 1.011 237 A HN 0.403 nan 8.150 nan 0.000 0.494 238 K N 2.745 123.180 120.400 0.058 0.000 2.347 238 K HA 0.429 4.749 4.320 -0.000 0.000 0.262 238 K C -1.170 175.470 176.600 0.067 0.000 1.052 238 K CA 0.100 56.438 56.287 0.086 0.000 0.946 238 K CB 1.099 33.643 32.500 0.074 0.000 1.220 238 K HN 0.646 nan 8.250 nan 0.000 0.450 239 I N 2.610 123.234 120.570 0.090 0.000 2.315 239 I HA 0.271 4.441 4.170 -0.000 0.000 0.291 239 I C 0.172 176.361 176.117 0.120 0.000 1.006 239 I CA -0.576 60.799 61.300 0.125 0.000 1.265 239 I CB 1.540 39.650 38.000 0.183 0.000 1.387 239 I HN 0.526 nan 8.210 nan 0.000 0.475 240 A N 7.325 130.213 122.820 0.113 0.000 2.312 240 A HA 0.798 5.118 4.320 -0.000 0.000 0.326 240 A C -0.942 176.728 177.584 0.144 0.000 1.172 240 A CA -0.443 51.651 52.037 0.095 0.000 0.821 240 A CB 0.919 19.951 19.000 0.053 0.000 1.166 240 A HN 0.538 nan 8.150 nan 0.000 0.493 241 L N 3.854 125.145 121.223 0.113 0.000 2.342 241 L HA 0.478 4.818 4.340 -0.000 0.000 0.276 241 L C -0.836 176.078 176.870 0.073 0.000 0.997 241 L CA -0.109 54.801 54.840 0.116 0.000 0.838 241 L CB 1.287 43.393 42.059 0.078 0.000 1.224 241 L HN 0.510 nan 8.230 nan 0.000 0.416 242 I N 2.978 123.593 120.570 0.074 0.000 2.465 242 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 242 I C 0.718 176.860 176.117 0.042 0.000 1.014 242 I CA -0.469 60.857 61.300 0.044 0.000 1.093 242 I CB 1.793 39.812 38.000 0.032 0.000 1.267 242 I HN 0.602 nan 8.210 nan 0.000 0.431 243 N N 4.003 122.718 118.700 0.026 0.000 2.388 243 N HA -0.058 4.682 4.740 -0.000 0.000 0.176 243 N C 0.294 175.814 175.510 0.018 0.000 1.062 243 N CA -0.105 52.959 53.050 0.024 0.000 0.895 243 N CB 0.133 38.630 38.487 0.016 0.000 1.018 243 N HN 0.695 nan 8.380 nan 0.000 0.456 244 E N 0.598 120.804 120.200 0.011 0.000 2.354 244 E HA 0.450 4.800 4.350 -0.000 0.000 0.269 244 E C -0.466 176.140 176.600 0.011 0.000 1.036 244 E CA -0.997 55.407 56.400 0.007 0.000 0.876 244 E CB 1.044 30.743 29.700 -0.002 0.000 1.009 244 E HN 0.252 nan 8.360 nan 0.000 0.416 245 A N 3.317 126.144 122.820 0.013 0.000 2.498 245 A HA 0.147 4.467 4.320 -0.000 0.000 0.239 245 A C -0.155 177.438 177.584 0.015 0.000 1.068 245 A CA -0.497 51.550 52.037 0.016 0.000 0.766 245 A CB 0.101 19.111 19.000 0.017 0.000 1.003 245 A HN 0.550 nan 8.150 nan 0.000 0.497 246 L N 2.995 124.231 121.223 0.020 0.000 2.422 246 L HA 0.309 4.649 4.340 -0.000 0.000 0.256 246 L C 0.362 177.251 176.870 0.031 0.000 1.202 246 L CA 0.898 55.752 54.840 0.023 0.000 1.119 246 L CB -1.210 40.865 42.059 0.027 0.000 1.383 246 L HN 0.852 nan 8.230 nan 0.000 0.411 247 E N -0.155 120.062 120.200 0.027 0.000 2.446 247 E HA 0.454 4.804 4.350 -0.000 0.000 0.269 247 E C -1.087 175.531 176.600 0.030 0.000 0.977 247 E CA -1.183 55.236 56.400 0.031 0.000 0.854 247 E CB 1.650 31.366 29.700 0.025 0.000 1.545 247 E HN -0.159 nan 8.360 nan 0.000 0.448 248 V N 2.439 122.373 119.914 0.033 0.000 2.446 248 V HA 0.040 4.160 4.120 -0.000 0.000 0.276 248 V C 0.103 176.212 176.094 0.025 0.000 1.030 248 V CA 0.159 62.480 62.300 0.034 0.000 1.033 248 V CB -0.215 31.631 31.823 0.040 0.000 0.993 248 V HN 0.414 nan 8.190 nan 0.000 0.477 249 K N 5.212 125.625 120.400 0.022 0.000 2.270 249 K HA 0.453 4.772 4.320 -0.000 0.000 0.276 249 K C -0.408 176.202 176.600 0.017 0.000 1.023 249 K CA -0.480 55.816 56.287 0.015 0.000 0.955 249 K CB 1.203 33.709 32.500 0.009 0.000 0.975 249 K HN 0.557 nan 8.250 nan 0.000 0.471 250 K N 1.027 121.434 120.400 0.012 0.000 2.267 250 K HA 0.216 4.536 4.320 -0.000 0.000 0.246 250 K C -0.132 176.473 176.600 0.008 0.000 0.954 250 K CA -0.724 55.569 56.287 0.011 0.000 0.824 250 K CB 1.766 34.270 32.500 0.006 0.000 1.167 250 K HN 0.659 nan 8.250 nan 0.000 0.431 251 T N -1.264 113.295 114.554 0.008 0.000 2.860 251 T HA 0.062 4.412 4.350 -0.000 0.000 0.299 251 T C 1.046 175.748 174.700 0.003 0.000 1.045 251 T CA -0.412 61.692 62.100 0.006 0.000 1.071 251 T CB 1.055 69.927 68.868 0.007 0.000 0.985 251 T HN 0.567 nan 8.240 nan 0.000 0.537 252 E N 0.756 120.957 120.200 0.003 0.000 2.072 252 E HA 0.049 4.399 4.350 -0.000 0.000 0.190 252 E C 0.675 177.275 176.600 0.001 0.000 0.982 252 E CA 0.782 57.183 56.400 0.001 0.000 0.803 252 E CB -0.402 29.299 29.700 0.001 0.000 0.755 252 E HN 0.796 nan 8.360 nan 0.000 0.453 253 T N 2.106 116.661 114.554 0.001 0.000 2.901 253 T HA 0.054 4.404 4.350 -0.000 0.000 0.301 253 T C -0.399 174.301 174.700 -0.001 0.000 1.012 253 T CA -0.425 61.676 62.100 0.001 0.000 1.135 253 T CB 0.511 69.380 68.868 0.002 0.000 0.936 253 T HN -0.000 nan 8.240 nan 0.000 0.539 254 D N 1.891 122.289 120.400 -0.003 0.000 2.506 254 D HA 0.418 5.058 4.640 -0.000 0.000 0.234 254 D C -0.040 176.256 176.300 -0.007 0.000 1.143 254 D CA 0.529 54.526 54.000 -0.005 0.000 0.871 254 D CB 0.393 41.189 40.800 -0.006 0.000 1.190 254 D HN 0.732 nan 8.370 nan 0.000 0.459 255 A N 1.901 124.714 122.820 -0.011 0.000 2.594 255 A HA 0.676 4.996 4.320 -0.000 0.000 0.295 255 A C -0.908 176.658 177.584 -0.030 0.000 1.071 255 A CA -0.795 51.233 52.037 -0.015 0.000 0.685 255 A CB 1.770 20.765 19.000 -0.008 0.000 1.285 255 A HN 0.416 nan 8.150 nan 0.000 0.405 256 K N 1.732 122.106 120.400 -0.043 0.000 2.543 256 K HA 0.581 4.900 4.320 -0.000 0.000 0.255 256 K C -1.650 174.887 176.600 -0.105 0.000 0.934 256 K CA -0.588 55.657 56.287 -0.069 0.000 0.810 256 K CB 1.424 33.891 32.500 -0.055 0.000 1.315 256 K HN 0.676 nan 8.250 nan 0.000 0.433 257 I N 3.173 123.634 120.570 -0.183 0.000 2.474 257 I HA 0.122 4.292 4.170 -0.000 0.000 0.287 257 I C -0.047 175.940 176.117 -0.216 0.000 1.048 257 I CA -0.408 60.709 61.300 -0.304 0.000 1.383 257 I CB 0.769 38.387 38.000 -0.638 0.000 1.412 257 I HN 0.396 nan 8.210 nan 0.000 0.531 258 N N 7.847 126.454 118.700 -0.155 0.000 2.558 258 N HA 0.417 5.157 4.740 -0.000 0.000 0.242 258 N C -0.634 174.842 175.510 -0.057 0.000 0.979 258 N CA -0.335 52.666 53.050 -0.082 0.000 0.931 258 N CB 1.655 40.120 38.487 -0.035 0.000 1.122 258 N HN 0.443 nan 8.380 nan 0.000 0.508 259 I N 1.503 122.036 120.570 -0.062 0.000 2.371 259 I HA 0.073 4.243 4.170 -0.000 0.000 0.290 259 I C 1.433 177.563 176.117 0.021 0.000 1.028 259 I CA 0.115 61.414 61.300 -0.002 0.000 1.345 259 I CB 1.035 39.028 38.000 -0.012 0.000 1.407 259 I HN 0.478 nan 8.210 nan 0.000 0.501 260 T N -0.233 114.350 114.554 0.047 0.000 3.043 260 T HA 0.201 4.551 4.350 -0.000 0.000 0.272 260 T C 0.230 174.953 174.700 0.038 0.000 0.990 260 T CA -0.252 61.869 62.100 0.035 0.000 0.897 260 T CB 0.100 68.988 68.868 0.033 0.000 1.111 260 T HN 0.568 nan 8.240 nan 0.000 0.529 261 S N 0.191 115.922 115.700 0.052 0.000 2.536 261 S HA 0.579 5.049 4.470 -0.000 0.000 0.271 261 S C -2.781 171.850 174.600 0.051 0.000 1.134 261 S CA -1.202 57.024 58.200 0.044 0.000 0.897 261 S CB 2.028 65.252 63.200 0.041 0.000 1.094 261 S HN -0.189 nan 8.310 nan 0.000 0.473 262 P HA -0.192 nan 4.420 nan 0.000 0.217 262 P C 1.206 178.533 177.300 0.046 0.000 1.151 262 P CA 1.718 64.841 63.100 0.038 0.000 0.849 262 P CB -0.086 31.630 31.700 0.026 0.000 0.787 263 D N -0.398 120.026 120.400 0.040 0.000 2.263 263 D HA -0.217 4.423 4.640 -0.000 0.000 0.208 263 D C 1.554 177.884 176.300 0.051 0.000 0.971 263 D CA 1.144 55.164 54.000 0.034 0.000 0.867 263 D CB -0.711 40.100 40.800 0.018 0.000 0.929 263 D HN 0.311 nan 8.370 nan 0.000 0.492 264 Q N 0.063 119.920 119.800 0.095 0.000 2.172 264 Q HA 0.051 4.391 4.340 -0.000 0.000 0.200 264 Q C 2.651 178.808 176.000 0.262 0.000 0.964 264 Q CA 0.373 56.290 55.803 0.191 0.000 0.855 264 Q CB 0.013 28.942 28.738 0.319 0.000 0.918 264 Q HN 0.343 nan 8.270 nan 0.000 0.444 265 L N -0.109 121.211 121.223 0.162 0.000 2.043 265 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 265 L C 2.397 179.342 176.870 0.126 0.000 1.075 265 L CA 0.919 55.838 54.840 0.131 0.000 0.752 265 L CB -0.357 41.745 42.059 0.072 0.000 0.891 265 L HN 0.378 nan 8.230 nan 0.000 0.432 266 M N -0.750 118.904 119.600 0.089 0.000 2.248 266 M HA -0.076 4.403 4.480 -0.000 0.000 0.265 266 M C 2.724 179.051 176.300 0.045 0.000 1.079 266 M CA 1.730 57.066 55.300 0.060 0.000 1.150 266 M CB -0.840 31.781 32.600 0.034 0.000 1.366 266 M HN 0.372 nan 8.290 nan 0.000 0.433 267 S N 0.083 115.790 115.700 0.011 0.000 2.382 267 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 267 S C 1.876 176.390 174.600 -0.143 0.000 1.027 267 S CA 1.089 59.231 58.200 -0.097 0.000 0.991 267 S CB -0.961 62.122 63.200 -0.195 0.000 0.823 267 S HN 0.359 nan 8.310 nan 0.000 0.469 268 F N 0.688 120.644 119.950 0.011 0.000 2.293 268 F HA 0.225 4.752 4.527 -0.000 0.000 0.297 268 F C 2.109 177.917 175.800 0.015 0.000 1.089 268 F CA 0.225 58.232 58.000 0.011 0.000 1.377 268 F CB -0.252 38.753 39.000 0.009 0.000 1.051 268 F HN 0.201 nan 8.300 nan 0.000 0.511 269 L N 0.372 121.707 121.223 0.186 0.000 2.056 269 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 269 L C 2.118 179.037 176.870 0.082 0.000 1.078 269 L CA 1.754 56.663 54.840 0.115 0.000 0.749 269 L CB -0.991 41.120 42.059 0.086 0.000 0.901 269 L HN 0.163 nan 8.230 nan 0.000 0.433 270 E N -1.468 118.766 120.200 0.056 0.000 2.208 270 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 270 E C 2.017 178.633 176.600 0.026 0.000 0.988 270 E CA 0.661 57.082 56.400 0.034 0.000 0.828 270 E CB 0.042 29.748 29.700 0.010 0.000 0.763 270 E HN 0.363 nan 8.360 nan 0.000 0.478 271 Q N 1.432 121.241 119.800 0.015 0.000 2.083 271 Q HA -0.150 4.190 4.340 -0.000 0.000 0.198 271 Q C 1.606 177.636 176.000 0.049 0.000 0.969 271 Q CA 1.515 57.324 55.803 0.009 0.000 0.838 271 Q CB 0.102 28.826 28.738 -0.024 0.000 0.900 271 Q HN 0.272 nan 8.270 nan 0.000 0.436 272 E N 0.025 120.273 120.200 0.080 0.000 2.106 272 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 272 E C 1.924 178.569 176.600 0.075 0.000 0.984 272 E CA 1.163 57.611 56.400 0.080 0.000 0.806 272 E CB -0.036 29.716 29.700 0.088 0.000 0.750 272 E HN 0.530 nan 8.360 nan 0.000 0.458 273 E N 1.048 121.296 120.200 0.080 0.000 2.077 273 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 273 E C 2.082 178.740 176.600 0.096 0.000 0.989 273 E CA 0.831 57.293 56.400 0.104 0.000 0.800 273 E CB -0.027 29.737 29.700 0.106 0.000 0.746 273 E HN 0.082 nan 8.360 nan 0.000 0.452 274 K N 0.779 121.212 120.400 0.056 0.000 2.057 274 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 274 K C 2.123 178.736 176.600 0.021 0.000 1.049 274 K CA 1.192 57.494 56.287 0.025 0.000 0.931 274 K CB 0.001 32.506 32.500 0.009 0.000 0.714 274 K HN 0.059 nan 8.250 nan 0.000 0.440 275 M N 0.424 120.043 119.600 0.032 0.000 2.117 275 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 275 M C 2.115 178.435 176.300 0.034 0.000 1.065 275 M CA 1.114 56.430 55.300 0.027 0.000 1.114 275 M CB -0.212 32.407 32.600 0.033 0.000 1.361 275 M HN 0.145 nan 8.290 nan 0.000 0.408 276 L N 0.567 121.827 121.223 0.061 0.000 2.056 276 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 276 L C 2.394 179.320 176.870 0.094 0.000 1.078 276 L CA 1.878 56.771 54.840 0.089 0.000 0.749 276 L CB -0.739 41.398 42.059 0.129 0.000 0.901 276 L HN 0.236 nan 8.230 nan 0.000 0.433 277 K N -0.787 119.653 120.400 0.067 0.000 2.057 277 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 277 K C 1.642 178.186 176.600 -0.094 0.000 1.049 277 K CA 1.782 58.008 56.287 -0.101 0.000 0.931 277 K CB -0.151 32.204 32.500 -0.242 0.000 0.714 277 K HN 0.288 nan 8.250 nan 0.000 0.440 278 D N 0.690 121.065 120.400 -0.042 0.000 2.178 278 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 278 D C 1.955 178.257 176.300 0.004 0.000 0.980 278 D CA 1.190 55.179 54.000 -0.019 0.000 0.842 278 D CB -0.080 40.718 40.800 -0.003 0.000 0.948 278 D HN 0.343 nan 8.370 nan 0.000 0.472 279 M N 0.003 119.603 119.600 -0.000 0.000 2.067 279 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 279 M C 2.325 178.625 176.300 0.001 0.000 1.069 279 M CA 1.057 56.354 55.300 -0.004 0.000 1.117 279 M CB -0.202 32.398 32.600 -0.001 0.000 1.334 279 M HN -0.104 nan 8.290 nan 0.000 0.407 280 V N 0.354 120.259 119.914 -0.015 0.000 2.358 280 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 280 V C 1.779 177.742 176.094 -0.219 0.000 1.047 280 V CA 1.788 64.045 62.300 -0.073 0.000 1.035 280 V CB -0.777 31.057 31.823 0.018 0.000 0.658 280 V HN 0.404 nan 8.190 nan 0.000 0.452 281 D N -0.956 119.342 120.400 -0.171 0.000 2.123 281 D HA -0.198 4.441 4.640 -0.000 0.000 0.196 281 D C 2.110 178.309 176.300 -0.169 0.000 0.992 281 D CA 1.469 55.343 54.000 -0.209 0.000 0.833 281 D CB -0.416 40.346 40.800 -0.064 0.000 0.954 281 D HN 0.493 nan 8.370 nan 0.000 0.455 282 H N 0.813 119.797 119.070 -0.142 0.000 2.387 282 H HA -0.059 4.496 4.556 -0.000 0.000 0.299 282 H C 2.295 177.551 175.328 -0.119 0.000 1.099 282 H CA 0.944 56.929 56.048 -0.103 0.000 1.315 282 H CB -0.183 29.538 29.762 -0.067 0.000 1.380 282 H HN 0.163 nan 8.280 nan 0.000 0.513 283 I N 0.507 121.093 120.570 0.026 0.000 2.142 283 I HA -0.245 3.924 4.170 -0.000 0.000 0.240 283 I C 2.969 178.997 176.117 -0.148 0.000 1.078 283 I CA 1.075 62.361 61.300 -0.024 0.000 1.343 283 I CB -0.517 37.452 38.000 -0.052 0.000 1.046 283 I HN 0.224 nan 8.210 nan 0.000 0.405 284 A N 0.150 122.786 122.820 -0.307 0.000 1.978 284 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 284 A C 2.204 179.665 177.584 -0.204 0.000 1.170 284 A CA 1.605 53.425 52.037 -0.361 0.000 0.636 284 A CB -0.636 17.804 19.000 -0.934 0.000 0.810 284 A HN 0.526 nan 8.150 nan 0.000 0.448 285 Q N -0.712 118.961 119.800 -0.212 0.000 2.291 285 Q HA -0.114 4.226 4.340 -0.000 0.000 0.205 285 Q C 2.125 178.038 176.000 -0.145 0.000 0.970 285 Q CA 1.647 57.350 55.803 -0.166 0.000 0.876 285 Q CB -0.386 28.220 28.738 -0.221 0.000 0.935 285 Q HN 0.908 nan 8.270 nan 0.000 0.455 286 T N -3.564 110.903 114.554 -0.146 0.000 3.035 286 T HA 0.084 4.434 4.350 -0.000 0.000 0.268 286 T C 1.483 176.156 174.700 -0.045 0.000 1.109 286 T CA 0.861 62.908 62.100 -0.089 0.000 1.119 286 T CB 0.174 69.011 68.868 -0.051 0.000 0.900 286 T HN 0.450 nan 8.240 nan 0.000 0.503 287 G N 0.979 109.753 108.800 -0.044 0.000 2.176 287 G HA2 0.002 3.961 3.960 -0.000 0.000 0.232 287 G HA3 0.002 3.961 3.960 -0.000 0.000 0.232 287 G C 0.292 175.191 174.900 -0.002 0.000 0.986 287 G CA -0.105 44.987 45.100 -0.014 0.000 0.643 287 G HN 1.197 nan 8.290 nan 0.000 0.522 288 A N 0.460 123.272 122.820 -0.012 0.000 2.477 288 A HA 0.552 4.872 4.320 -0.000 0.000 0.246 288 A C 1.045 178.623 177.584 -0.010 0.000 1.078 288 A CA 1.074 53.110 52.037 -0.001 0.000 0.770 288 A CB 0.138 19.137 19.000 -0.002 0.000 1.011 288 A HN 1.128 nan 8.150 nan 0.000 0.494 289 N N 0.413 119.113 118.700 0.000 0.000 2.159 289 N HA 0.235 4.975 4.740 -0.000 0.000 0.217 289 N C -0.774 174.718 175.510 -0.031 0.000 1.223 289 N CA 0.022 53.069 53.050 -0.005 0.000 0.896 289 N CB 0.622 39.116 38.487 0.012 0.000 1.064 289 N HN 0.238 nan 8.380 nan 0.000 0.518 290 V N 0.718 120.606 119.914 -0.043 0.000 2.623 290 V HA 0.563 4.683 4.120 -0.000 0.000 0.304 290 V C -1.083 174.931 176.094 -0.133 0.000 1.054 290 V CA -0.857 61.372 62.300 -0.118 0.000 0.882 290 V CB 2.333 34.111 31.823 -0.076 0.000 1.002 290 V HN -0.075 nan 8.190 nan 0.000 0.424 291 V N 4.729 124.486 119.914 -0.261 0.000 2.577 291 V HA 0.572 4.692 4.120 -0.000 0.000 0.303 291 V C -1.115 174.783 176.094 -0.327 0.000 1.042 291 V CA -0.579 61.619 62.300 -0.170 0.000 0.872 291 V CB 1.891 33.663 31.823 -0.085 0.000 0.998 291 V HN 0.675 nan 8.190 nan 0.000 0.423 292 F N 3.154 123.107 119.950 0.005 0.000 2.426 292 F HA 0.678 5.205 4.527 -0.000 0.000 0.348 292 F C 0.067 175.869 175.800 0.004 0.000 1.124 292 F CA -0.784 57.218 58.000 0.004 0.000 1.008 292 F CB 1.994 40.993 39.000 -0.003 0.000 1.139 292 F HN 0.191 nan 8.300 nan 0.000 0.452 293 V N 4.050 124.048 119.914 0.140 0.000 2.459 293 V HA 0.186 4.306 4.120 -0.000 0.000 0.295 293 V C 0.717 176.862 176.094 0.086 0.000 1.029 293 V CA -0.502 61.851 62.300 0.088 0.000 0.874 293 V CB 1.650 33.501 31.823 0.046 0.000 0.985 293 V HN 0.887 nan 8.190 nan 0.000 0.438 294 Q N 3.219 123.058 119.800 0.065 0.000 2.119 294 Q HA -0.062 4.278 4.340 -0.000 0.000 0.201 294 Q C 1.048 177.071 176.000 0.037 0.000 0.972 294 Q CA 1.219 57.051 55.803 0.048 0.000 0.847 294 Q CB 0.298 29.055 28.738 0.032 0.000 0.903 294 Q HN 0.581 nan 8.270 nan 0.000 0.433 295 K N -0.454 119.965 120.400 0.032 0.000 2.762 295 K HA 0.352 4.672 4.320 -0.000 0.000 0.292 295 K C 0.232 176.850 176.600 0.029 0.000 1.008 295 K CA 0.040 56.343 56.287 0.026 0.000 1.142 295 K CB -0.519 31.994 32.500 0.020 0.000 1.490 295 K HN 0.171 nan 8.250 nan 0.000 0.581 296 G N 0.128 108.943 108.800 0.025 0.000 2.562 296 G HA2 0.533 4.493 3.960 -0.000 0.000 0.275 296 G HA3 0.533 4.493 3.960 -0.000 0.000 0.275 296 G C -0.505 174.411 174.900 0.027 0.000 1.196 296 G CA -0.541 44.575 45.100 0.026 0.000 0.908 296 G HN 0.314 nan 8.290 nan 0.000 0.524 297 I N 0.642 121.229 120.570 0.029 0.000 2.439 297 I HA 0.156 4.326 4.170 -0.000 0.000 0.285 297 I C -0.419 175.719 176.117 0.034 0.000 1.021 297 I CA -0.712 60.606 61.300 0.031 0.000 1.091 297 I CB 1.929 39.948 38.000 0.030 0.000 1.242 297 I HN 0.406 nan 8.210 nan 0.000 0.439 298 D N 4.400 124.822 120.400 0.036 0.000 2.423 298 D HA -0.061 4.579 4.640 -0.000 0.000 0.238 298 D C 0.607 176.927 176.300 0.034 0.000 1.142 298 D CA 0.414 54.434 54.000 0.035 0.000 0.884 298 D CB 1.327 42.150 40.800 0.040 0.000 1.199 298 D HN 0.514 nan 8.370 nan 0.000 0.438 299 D N 1.722 122.137 120.400 0.025 0.000 2.133 299 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 299 D C 1.664 177.959 176.300 -0.008 0.000 0.997 299 D CA 0.728 54.741 54.000 0.021 0.000 0.840 299 D CB 0.002 40.806 40.800 0.006 0.000 0.947 299 D HN 0.290 nan 8.370 nan 0.000 0.452 300 L N 0.343 121.554 121.223 -0.020 0.000 2.056 300 L HA -0.008 4.331 4.340 -0.000 0.000 0.207 300 L C 2.005 178.853 176.870 -0.036 0.000 1.078 300 L CA 1.699 56.497 54.840 -0.071 0.000 0.749 300 L CB -0.843 41.212 42.059 -0.006 0.000 0.901 300 L HN 0.008 nan 8.230 nan 0.000 0.433 301 A N -1.154 121.709 122.820 0.071 0.000 1.902 301 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 301 A C 2.194 179.816 177.584 0.065 0.000 1.181 301 A CA 1.723 53.839 52.037 0.131 0.000 0.623 301 A CB -0.575 18.482 19.000 0.096 0.000 0.818 301 A HN 0.631 nan 8.150 nan 0.000 0.443 302 Q N -1.390 118.419 119.800 0.015 0.000 2.096 302 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 302 Q C 2.133 178.015 176.000 -0.197 0.000 0.982 302 Q CA 1.658 57.441 55.803 -0.033 0.000 0.850 302 Q CB -0.391 28.372 28.738 0.042 0.000 0.901 302 Q HN 0.903 nan 8.270 nan 0.000 0.422 303 H N -0.649 118.222 119.070 -0.331 0.000 2.290 303 H HA -0.185 4.371 4.556 -0.000 0.000 0.298 303 H C 1.668 176.821 175.328 -0.291 0.000 1.087 303 H CA 1.741 57.513 56.048 -0.460 0.000 1.291 303 H CB 0.091 29.578 29.762 -0.459 0.000 1.369 303 H HN 0.284 nan 8.280 nan 0.000 0.492 304 Y N 0.213 120.456 120.300 -0.094 0.000 2.224 304 Y HA -0.188 4.362 4.550 -0.000 0.000 0.289 304 Y C 2.684 178.625 175.900 0.069 0.000 1.146 304 Y CA 0.368 58.448 58.100 -0.033 0.000 1.182 304 Y CB -0.485 38.037 38.460 0.102 0.000 0.983 304 Y HN 0.212 nan 8.280 nan 0.000 0.524 305 L N -0.368 120.947 121.223 0.152 0.000 2.042 305 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 305 L C 2.509 179.411 176.870 0.053 0.000 1.076 305 L CA 1.999 56.894 54.840 0.091 0.000 0.749 305 L CB -1.828 40.240 42.059 0.015 0.000 0.893 305 L HN 0.236 nan 8.230 nan 0.000 0.432 306 A N -0.697 122.073 122.820 -0.083 0.000 1.930 306 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 306 A C 2.279 179.816 177.584 -0.078 0.000 1.175 306 A CA 1.381 53.356 52.037 -0.104 0.000 0.627 306 A CB -0.345 18.479 19.000 -0.294 0.000 0.815 306 A HN 0.395 nan 8.150 nan 0.000 0.443 307 K N -1.743 118.572 120.400 -0.141 0.000 2.211 307 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 307 K C 1.205 177.730 176.600 -0.125 0.000 1.050 307 K CA 1.288 57.477 56.287 -0.163 0.000 0.945 307 K CB -0.228 32.132 32.500 -0.234 0.000 0.732 307 K HN 0.653 nan 8.250 nan 0.000 0.451 308 Y N 0.243 120.515 120.300 -0.047 0.000 2.490 308 Y HA 0.068 4.618 4.550 -0.000 0.000 0.281 308 Y C 1.313 177.197 175.900 -0.027 0.000 1.174 308 Y CA 0.452 58.534 58.100 -0.029 0.000 1.295 308 Y CB 0.675 39.122 38.460 -0.021 0.000 1.062 308 Y HN 0.235 nan 8.280 nan 0.000 0.522 309 G N 1.253 110.109 108.800 0.094 0.000 2.176 309 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.252 309 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.252 309 G C -0.077 174.856 174.900 0.055 0.000 1.024 309 G CA 0.131 45.265 45.100 0.056 0.000 0.755 309 G HN 0.330 nan 8.290 nan 0.000 0.507 310 I N 0.434 121.040 120.570 0.059 0.000 2.359 310 I HA 0.403 4.572 4.170 -0.000 0.000 0.294 310 I C 0.819 176.927 176.117 -0.014 0.000 0.987 310 I CA -0.702 60.608 61.300 0.016 0.000 1.225 310 I CB 1.627 39.628 38.000 0.001 0.000 1.366 310 I HN 0.230 nan 8.210 nan 0.000 0.466 311 M N 6.456 126.028 119.600 -0.047 0.000 2.146 311 M HA 0.590 5.070 4.480 -0.000 0.000 0.357 311 M C -0.679 175.528 176.300 -0.155 0.000 1.261 311 M CA -0.084 55.168 55.300 -0.079 0.000 1.106 311 M CB 0.761 33.307 32.600 -0.089 0.000 1.612 311 M HN 0.744 nan 8.290 nan 0.000 0.470 312 A N 4.788 127.527 122.820 -0.134 0.000 2.454 312 A HA 0.839 5.158 4.320 -0.000 0.000 0.302 312 A C -1.554 175.934 177.584 -0.159 0.000 1.079 312 A CA -0.647 51.286 52.037 -0.174 0.000 0.731 312 A CB 1.880 20.830 19.000 -0.083 0.000 1.299 312 A HN 0.633 nan 8.150 nan 0.000 0.413 313 V N 2.160 121.958 119.914 -0.193 0.000 2.686 313 V HA 0.589 4.709 4.120 -0.000 0.000 0.306 313 V C -0.032 176.067 176.094 0.008 0.000 1.065 313 V CA -0.716 61.539 62.300 -0.074 0.000 0.894 313 V CB 1.750 33.544 31.823 -0.048 0.000 1.004 313 V HN 1.159 nan 8.190 nan 0.000 0.424 314 R N 2.709 123.229 120.500 0.034 0.000 2.797 314 R HA 0.836 5.176 4.340 -0.000 0.000 0.251 314 R C -0.125 176.209 176.300 0.057 0.000 1.107 314 R CA -0.936 55.191 56.100 0.046 0.000 1.084 314 R CB 0.603 30.924 30.300 0.034 0.000 1.205 314 R HN 0.349 nan 8.270 nan 0.000 0.515 315 R N -0.723 119.806 120.500 0.049 0.000 3.416 315 R HA -0.116 4.223 4.340 -0.000 0.000 0.263 315 R C -0.884 175.445 176.300 0.048 0.000 1.053 315 R CA 0.732 56.858 56.100 0.042 0.000 0.705 315 R CB -2.264 28.056 30.300 0.032 0.000 1.124 315 R HN 0.446 nan 8.270 nan 0.000 0.444 316 V N 1.184 121.138 119.914 0.067 0.000 2.508 316 V HA 0.053 4.173 4.120 -0.000 0.000 0.281 316 V C 1.252 177.363 176.094 0.028 0.000 1.041 316 V CA -0.296 62.044 62.300 0.066 0.000 1.016 316 V CB 1.193 33.084 31.823 0.114 0.000 0.984 316 V HN 0.208 nan 8.190 nan 0.000 0.478 317 K N 3.774 124.180 120.400 0.009 0.000 2.524 317 K HA -0.031 4.289 4.320 -0.000 0.000 0.279 317 K C 1.338 177.929 176.600 -0.014 0.000 0.993 317 K CA 0.090 56.374 56.287 -0.004 0.000 1.030 317 K CB 0.532 33.023 32.500 -0.014 0.000 0.891 317 K HN 0.593 nan 8.250 nan 0.000 0.488 318 K N 1.850 122.244 120.400 -0.010 0.000 2.059 318 K HA -0.245 4.075 4.320 -0.000 0.000 0.212 318 K C 1.923 178.506 176.600 -0.028 0.000 1.050 318 K CA 2.330 58.609 56.287 -0.014 0.000 0.927 318 K CB -0.094 32.401 32.500 -0.009 0.000 0.714 318 K HN 0.709 nan 8.250 nan 0.000 0.447 319 S N 0.394 116.076 115.700 -0.030 0.000 2.399 319 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 319 S C 1.467 176.030 174.600 -0.063 0.000 1.022 319 S CA 1.494 59.670 58.200 -0.041 0.000 0.983 319 S CB -0.223 62.956 63.200 -0.036 0.000 0.803 319 S HN 0.302 nan 8.310 nan 0.000 0.480 320 D N 1.051 121.410 120.400 -0.069 0.000 2.194 320 D HA 0.091 4.731 4.640 -0.000 0.000 0.204 320 D C 1.970 178.189 176.300 -0.135 0.000 0.964 320 D CA 0.797 54.732 54.000 -0.108 0.000 0.846 320 D CB -0.208 40.531 40.800 -0.102 0.000 0.962 320 D HN 0.314 nan 8.370 nan 0.000 0.490 321 M N 0.701 120.245 119.600 -0.093 0.000 2.159 321 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 321 M C 1.844 178.093 176.300 -0.085 0.000 1.063 321 M CA 1.194 56.441 55.300 -0.087 0.000 1.110 321 M CB -0.760 31.820 32.600 -0.032 0.000 1.374 321 M HN 0.115 nan 8.290 nan 0.000 0.411 322 E N 0.050 120.209 120.200 -0.068 0.000 2.106 322 E HA -0.163 4.186 4.350 -0.000 0.000 0.192 322 E C 2.001 178.556 176.600 -0.074 0.000 0.984 322 E CA 0.887 57.252 56.400 -0.058 0.000 0.806 322 E CB -0.168 29.505 29.700 -0.045 0.000 0.750 322 E HN 0.545 nan 8.360 nan 0.000 0.458 323 K N 0.692 121.034 120.400 -0.097 0.000 2.103 323 K HA -0.042 4.277 4.320 -0.000 0.000 0.204 323 K C 2.238 178.760 176.600 -0.130 0.000 1.052 323 K CA 0.595 56.816 56.287 -0.111 0.000 0.945 323 K CB -0.030 32.394 32.500 -0.128 0.000 0.722 323 K HN 0.069 nan 8.250 nan 0.000 0.443 324 L N 0.445 121.563 121.223 -0.174 0.000 2.093 324 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 324 L C 2.514 179.310 176.870 -0.123 0.000 1.085 324 L CA 1.066 55.776 54.840 -0.216 0.000 0.755 324 L CB -0.448 41.391 42.059 -0.367 0.000 0.904 324 L HN 0.193 nan 8.230 nan 0.000 0.435 325 A N 0.016 122.784 122.820 -0.086 0.000 1.873 325 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 325 A C 2.297 179.861 177.584 -0.032 0.000 1.186 325 A CA 1.507 53.518 52.037 -0.042 0.000 0.616 325 A CB -0.305 18.677 19.000 -0.030 0.000 0.823 325 A HN 0.292 nan 8.150 nan 0.000 0.442 326 K N -0.369 120.006 120.400 -0.041 0.000 2.211 326 K HA 0.032 4.352 4.320 -0.000 0.000 0.203 326 K C 2.174 178.757 176.600 -0.028 0.000 1.050 326 K CA 0.879 57.148 56.287 -0.031 0.000 0.945 326 K CB -0.193 32.286 32.500 -0.036 0.000 0.732 326 K HN 0.461 nan 8.250 nan 0.000 0.451 327 A N 1.265 124.058 122.820 -0.045 0.000 1.850 327 A HA -0.105 4.215 4.320 -0.000 0.000 0.212 327 A C 2.289 179.867 177.584 -0.010 0.000 1.208 327 A CA 1.808 53.823 52.037 -0.038 0.000 0.609 327 A CB -0.881 18.077 19.000 -0.069 0.000 0.860 327 A HN 0.383 nan 8.150 nan 0.000 0.448 328 T N -4.171 110.374 114.554 -0.015 0.000 3.055 328 T HA 0.353 4.703 4.350 -0.000 0.000 0.265 328 T C 1.475 176.210 174.700 0.059 0.000 1.111 328 T CA 1.309 63.424 62.100 0.024 0.000 1.118 328 T CB 0.005 68.880 68.868 0.011 0.000 0.909 328 T HN 1.787 nan 8.240 nan 0.000 0.501 329 G N 1.099 109.919 108.800 0.033 0.000 2.175 329 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.244 329 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.244 329 G C 0.326 175.248 174.900 0.037 0.000 0.982 329 G CA -0.023 45.100 45.100 0.038 0.000 0.641 329 G HN 1.161 nan 8.290 nan 0.000 0.527 330 A N -0.121 122.720 122.820 0.036 0.000 2.346 330 A HA 0.672 4.991 4.320 -0.000 0.000 0.252 330 A C 0.479 178.077 177.584 0.024 0.000 1.089 330 A CA 0.353 52.413 52.037 0.039 0.000 0.797 330 A CB 0.430 19.459 19.000 0.049 0.000 1.047 330 A HN 0.418 nan 8.150 nan 0.000 0.494 331 K N 1.570 121.986 120.400 0.027 0.000 2.274 331 K HA 0.395 4.715 4.320 -0.000 0.000 0.262 331 K C -0.814 175.799 176.600 0.021 0.000 0.961 331 K CA -0.620 55.678 56.287 0.019 0.000 0.833 331 K CB 1.505 34.016 32.500 0.019 0.000 1.102 331 K HN 0.512 nan 8.250 nan 0.000 0.436 332 I N 3.425 124.004 120.570 0.014 0.000 2.668 332 I HA -0.000 4.170 4.170 -0.000 0.000 0.285 332 I C 0.331 176.458 176.117 0.016 0.000 1.168 332 I CA 0.093 61.403 61.300 0.017 0.000 1.424 332 I CB 0.129 38.134 38.000 0.008 0.000 1.377 332 I HN 0.270 nan 8.210 nan 0.000 0.560 333 V N 6.892 126.817 119.914 0.020 0.000 2.581 333 V HA 0.262 4.382 4.120 -0.000 0.000 0.303 333 V C 1.048 177.145 176.094 0.006 0.000 1.041 333 V CA -0.369 61.939 62.300 0.013 0.000 0.907 333 V CB 1.767 33.599 31.823 0.015 0.000 0.994 333 V HN 0.879 nan 8.190 nan 0.000 0.442 334 T N 2.542 117.096 114.554 -0.001 0.000 2.735 334 T HA 0.013 4.363 4.350 -0.000 0.000 0.256 334 T C 0.670 175.363 174.700 -0.012 0.000 1.042 334 T CA 1.067 63.165 62.100 -0.004 0.000 1.147 334 T CB -0.095 68.770 68.868 -0.005 0.000 0.865 334 T HN 0.662 nan 8.240 nan 0.000 0.421 335 N N 1.089 119.774 118.700 -0.025 0.000 2.419 335 N HA 0.321 5.061 4.740 -0.000 0.000 0.277 335 N C 0.853 176.317 175.510 -0.076 0.000 1.006 335 N CA -0.490 52.533 53.050 -0.045 0.000 0.923 335 N CB 2.276 40.733 38.487 -0.049 0.000 1.140 335 N HN -0.131 nan 8.380 nan 0.000 0.488 336 V N 3.772 123.633 119.914 -0.089 0.000 2.277 336 V HA -0.390 3.730 4.120 -0.000 0.000 0.253 336 V C 2.393 178.291 176.094 -0.326 0.000 1.067 336 V CA 1.918 64.138 62.300 -0.134 0.000 1.047 336 V CB -0.681 31.072 31.823 -0.116 0.000 0.649 336 V HN 0.821 nan 8.190 nan 0.000 0.447 337 K N -0.006 120.163 120.400 -0.385 0.000 2.362 337 K HA -0.235 4.085 4.320 -0.000 0.000 0.202 337 K C 1.176 177.574 176.600 -0.336 0.000 1.045 337 K CA 2.041 57.987 56.287 -0.568 0.000 0.936 337 K CB -0.393 31.945 32.500 -0.271 0.000 0.747 337 K HN 0.451 nan 8.250 nan 0.000 0.467 338 D N 0.805 121.110 120.400 -0.159 0.000 2.339 338 D HA 0.027 4.667 4.640 -0.000 0.000 0.217 338 D C 0.131 176.448 176.300 0.028 0.000 1.050 338 D CA -0.039 53.938 54.000 -0.038 0.000 0.856 338 D CB 0.092 40.876 40.800 -0.026 0.000 0.922 338 D HN 0.128 nan 8.370 nan 0.000 0.518 339 L N 1.978 123.231 121.223 0.050 0.000 2.462 339 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 339 L C 0.356 177.345 176.870 0.197 0.000 1.166 339 L CA 0.531 55.446 54.840 0.125 0.000 0.880 339 L CB 0.626 42.764 42.059 0.131 0.000 1.142 339 L HN -0.065 nan 8.230 nan 0.000 0.473 340 T N 1.556 116.168 114.554 0.097 0.000 2.901 340 T HA 0.555 4.905 4.350 -0.000 0.000 0.293 340 T C -2.179 172.540 174.700 0.032 0.000 1.084 340 T CA -1.697 60.438 62.100 0.057 0.000 1.008 340 T CB 1.652 70.546 68.868 0.043 0.000 1.170 340 T HN 0.338 nan 8.240 nan 0.000 0.509 341 P HA -0.067 nan 4.420 nan 0.000 0.217 341 P C 0.970 178.282 177.300 0.021 0.000 1.148 341 P CA 1.048 64.155 63.100 0.011 0.000 0.828 341 P CB 0.025 31.725 31.700 -0.001 0.000 0.783 342 E N -0.845 119.367 120.200 0.019 0.000 2.333 342 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 342 E C 1.309 177.926 176.600 0.027 0.000 1.007 342 E CA 0.898 57.310 56.400 0.020 0.000 0.845 342 E CB -0.783 28.927 29.700 0.016 0.000 0.766 342 E HN 0.362 nan 8.360 nan 0.000 0.507 343 D N -0.351 120.069 120.400 0.033 0.000 2.348 343 D HA 0.027 4.667 4.640 -0.000 0.000 0.211 343 D C 0.338 176.666 176.300 0.046 0.000 0.998 343 D CA 0.104 54.126 54.000 0.037 0.000 0.873 343 D CB 0.328 41.152 40.800 0.040 0.000 0.925 343 D HN 0.200 nan 8.370 nan 0.000 0.524 344 L N 0.894 122.147 121.223 0.050 0.000 2.439 344 L HA 0.315 4.655 4.340 -0.000 0.000 0.269 344 L C 1.255 178.173 176.870 0.079 0.000 1.179 344 L CA -0.305 54.574 54.840 0.064 0.000 0.828 344 L CB 0.817 42.913 42.059 0.061 0.000 1.106 344 L HN -0.125 nan 8.230 nan 0.000 0.467 345 G N 0.677 109.533 108.800 0.093 0.000 2.521 345 G HA2 0.443 4.403 3.960 -0.000 0.000 0.323 345 G HA3 0.443 4.403 3.960 -0.000 0.000 0.323 345 G C -1.970 173.026 174.900 0.161 0.000 1.211 345 G CA -0.268 44.898 45.100 0.109 0.000 0.979 345 G HN 0.472 nan 8.290 nan 0.000 0.490 346 Y N -0.331 119.990 120.300 0.034 0.000 2.485 346 Y HA 0.672 5.222 4.550 -0.000 0.000 0.345 346 Y C -0.334 175.589 175.900 0.040 0.000 0.998 346 Y CA -0.865 57.257 58.100 0.036 0.000 1.059 346 Y CB 2.221 40.697 38.460 0.026 0.000 1.234 346 Y HN 0.851 nan 8.280 nan 0.000 0.461 347 A N 4.775 126.988 122.820 -1.011 0.000 2.513 347 A HA 0.313 4.632 4.320 -0.000 0.000 0.296 347 A C 0.165 177.227 177.584 -0.871 0.000 1.052 347 A CA -0.419 51.208 52.037 -0.684 0.000 0.714 347 A CB 1.284 20.138 19.000 -0.243 0.000 1.279 347 A HN 0.956 nan 8.150 nan 0.000 0.397 348 E N 0.752 120.634 120.200 -0.530 0.000 2.085 348 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 348 E C -0.053 176.466 176.600 -0.134 0.000 0.994 348 E CA 1.768 58.036 56.400 -0.219 0.000 0.801 348 E CB 0.117 29.813 29.700 -0.006 0.000 0.743 348 E HN 0.536 nan 8.360 nan 0.000 0.453 349 V N 0.391 120.243 119.914 -0.103 0.000 2.851 349 V HA 0.287 4.407 4.120 -0.000 0.000 0.307 349 V C -1.021 175.075 176.094 0.002 0.000 1.129 349 V CA -0.876 61.402 62.300 -0.037 0.000 0.932 349 V CB 2.219 34.039 31.823 -0.004 0.000 1.024 349 V HN -0.157 nan 8.190 nan 0.000 0.426 350 V N 3.764 123.693 119.914 0.025 0.000 2.483 350 V HA 0.702 4.822 4.120 -0.000 0.000 0.297 350 V C -0.489 175.655 176.094 0.083 0.000 1.027 350 V CA -0.328 62.024 62.300 0.087 0.000 0.855 350 V CB 1.718 33.597 31.823 0.093 0.000 0.995 350 V HN 1.004 nan 8.190 nan 0.000 0.424 351 E N 3.181 123.459 120.200 0.130 0.000 2.352 351 E HA 0.396 4.746 4.350 -0.000 0.000 0.280 351 E C -1.259 175.432 176.600 0.152 0.000 0.930 351 E CA -0.673 55.785 56.400 0.095 0.000 0.765 351 E CB 2.270 31.990 29.700 0.034 0.000 1.219 351 E HN 0.749 nan 8.360 nan 0.000 0.434 352 E N 3.960 124.222 120.200 0.104 0.000 2.229 352 E HA 0.314 4.664 4.350 -0.000 0.000 0.283 352 E C -0.929 175.721 176.600 0.084 0.000 1.030 352 E CA -0.301 56.172 56.400 0.123 0.000 0.836 352 E CB 0.793 30.539 29.700 0.076 0.000 1.068 352 E HN 0.373 nan 8.360 nan 0.000 0.401 353 R N 3.581 124.155 120.500 0.124 0.000 2.744 353 R HA 0.357 4.697 4.340 -0.000 0.000 0.279 353 R C -0.853 175.496 176.300 0.082 0.000 0.977 353 R CA -0.971 55.145 56.100 0.027 0.000 0.906 353 R CB 1.880 32.078 30.300 -0.170 0.000 1.197 353 R HN 0.341 nan 8.270 nan 0.000 0.463 354 K N 2.298 122.718 120.400 0.034 0.000 2.262 354 K HA 0.359 4.679 4.320 -0.000 0.000 0.282 354 K C -0.760 175.869 176.600 0.047 0.000 1.066 354 K CA -0.183 56.131 56.287 0.046 0.000 0.901 354 K CB 0.780 33.294 32.500 0.023 0.000 1.089 354 K HN 0.303 nan 8.250 nan 0.000 0.476 355 L N 2.742 124.012 121.223 0.079 0.000 2.298 355 L HA 0.363 4.703 4.340 -0.000 0.000 0.284 355 L C 0.354 177.255 176.870 0.053 0.000 1.013 355 L CA -0.570 54.316 54.840 0.077 0.000 0.824 355 L CB 1.621 43.759 42.059 0.131 0.000 1.221 355 L HN 0.925 nan 8.230 nan 0.000 0.418 356 A N 2.892 125.734 122.820 0.035 0.000 2.791 356 A HA -0.102 4.217 4.320 -0.000 0.000 0.292 356 A C 1.347 178.946 177.584 0.024 0.000 1.487 356 A CA 0.957 53.010 52.037 0.026 0.000 0.760 356 A CB -1.922 17.095 19.000 0.028 0.000 1.031 356 A HN 1.632 nan 8.150 nan 0.000 0.503 357 G N -1.894 106.920 108.800 0.023 0.000 2.196 357 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.268 357 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.268 357 G C -0.166 174.749 174.900 0.024 0.000 0.975 357 G CA 1.096 46.208 45.100 0.019 0.000 0.648 357 G HN 1.411 nan 8.290 nan 0.000 0.538 358 E N 0.964 121.184 120.200 0.034 0.000 2.145 358 E HA 0.348 4.697 4.350 -0.000 0.000 0.270 358 E C -0.208 176.424 176.600 0.054 0.000 0.906 358 E CA -0.983 55.439 56.400 0.037 0.000 0.761 358 E CB 0.843 30.564 29.700 0.034 0.000 1.116 358 E HN 0.215 nan 8.360 nan 0.000 0.408 359 N N 3.144 121.875 118.700 0.051 0.000 2.407 359 N HA 0.130 4.870 4.740 -0.000 0.000 0.250 359 N C -0.384 175.181 175.510 0.091 0.000 1.236 359 N CA 0.815 53.906 53.050 0.069 0.000 0.879 359 N CB 0.560 39.078 38.487 0.052 0.000 1.088 359 N HN 0.458 nan 8.380 nan 0.000 0.450 360 M N 1.508 121.194 119.600 0.142 0.000 2.520 360 M HA 0.434 4.914 4.480 -0.000 0.000 0.280 360 M C -0.939 175.500 176.300 0.231 0.000 1.232 360 M CA -0.578 54.814 55.300 0.153 0.000 0.892 360 M CB 2.320 35.018 32.600 0.163 0.000 1.728 360 M HN 0.187 nan 8.290 nan 0.000 0.475 361 I N 1.643 122.297 120.570 0.141 0.000 2.377 361 I HA 0.434 4.604 4.170 -0.000 0.000 0.293 361 I C -1.383 174.797 176.117 0.104 0.000 0.987 361 I CA -0.446 60.977 61.300 0.204 0.000 1.185 361 I CB 1.213 39.335 38.000 0.204 0.000 1.341 361 I HN 0.441 nan 8.210 nan 0.000 0.455 362 F N 5.420 125.405 119.950 0.058 0.000 2.426 362 F HA 0.398 4.925 4.527 -0.000 0.000 0.348 362 F C 0.017 175.840 175.800 0.038 0.000 1.124 362 F CA -0.774 57.246 58.000 0.033 0.000 1.008 362 F CB 1.739 40.748 39.000 0.016 0.000 1.139 362 F HN -0.018 nan 8.300 nan 0.000 0.452 363 V N 4.346 124.323 119.914 0.105 0.000 2.275 363 V HA 0.316 4.436 4.120 -0.000 0.000 0.272 363 V C -0.326 175.790 176.094 0.036 0.000 1.028 363 V CA -0.634 61.703 62.300 0.062 0.000 0.810 363 V CB 0.395 32.206 31.823 -0.020 0.000 1.043 363 V HN 0.776 nan 8.190 nan 0.000 0.453 364 E N 2.475 122.710 120.200 0.058 0.000 2.281 364 E HA 0.740 5.090 4.350 -0.000 0.000 0.262 364 E C 0.548 177.150 176.600 0.004 0.000 0.933 364 E CA -0.736 55.693 56.400 0.048 0.000 0.809 364 E CB 2.007 31.769 29.700 0.103 0.000 1.242 364 E HN 0.685 nan 8.360 nan 0.000 0.418 365 G N 0.469 109.282 108.800 0.021 0.000 2.256 365 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.272 365 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.272 365 G C -0.025 174.901 174.900 0.043 0.000 1.076 365 G CA -0.016 45.102 45.100 0.032 0.000 0.882 365 G HN 0.557 nan 8.290 nan 0.000 0.497 366 C N 0.461 119.785 119.300 0.040 0.000 2.534 366 C HA 0.492 4.952 4.460 -0.000 0.000 0.385 366 C C 2.081 177.144 174.990 0.122 0.000 1.264 366 C CA -0.285 58.779 59.018 0.077 0.000 2.342 366 C CB 1.659 29.419 27.740 0.034 0.000 2.564 366 C HN 0.652 nan 8.230 nan 0.000 0.603 367 K N 1.972 122.479 120.400 0.179 0.000 1.965 367 K HA -0.130 4.190 4.320 -0.000 0.000 0.220 367 K C 0.722 177.362 176.600 0.067 0.000 1.046 367 K CA 1.753 58.112 56.287 0.119 0.000 0.974 367 K CB -0.329 32.227 32.500 0.094 0.000 0.738 367 K HN 0.826 nan 8.250 nan 0.000 0.444 368 N N 1.251 119.982 118.700 0.053 0.000 2.813 368 N HA 0.204 4.944 4.740 -0.000 0.000 0.282 368 N C -2.648 172.878 175.510 0.027 0.000 1.748 368 N CA -1.345 51.725 53.050 0.034 0.000 0.860 368 N CB 1.048 39.551 38.487 0.028 0.000 1.204 368 N HN 0.069 nan 8.380 nan 0.000 0.490 369 P HA -0.002 nan 4.420 nan 0.000 0.264 369 P C -0.162 177.136 177.300 -0.004 0.000 1.183 369 P CA 0.006 63.109 63.100 0.005 0.000 0.763 369 P CB 1.012 32.709 31.700 -0.005 0.000 0.807 370 K N 0.672 121.065 120.400 -0.011 0.000 2.358 370 K HA 0.400 4.719 4.320 -0.000 0.000 0.197 370 K C 0.621 177.201 176.600 -0.032 0.000 1.025 370 K CA -0.115 56.164 56.287 -0.014 0.000 1.104 370 K CB 0.448 32.944 32.500 -0.008 0.000 0.855 370 K HN 0.570 nan 8.250 nan 0.000 0.531 371 A N 0.141 122.933 122.820 -0.047 0.000 2.475 371 A HA 0.739 5.059 4.320 -0.000 0.000 0.301 371 A C -1.085 176.451 177.584 -0.081 0.000 1.059 371 A CA -0.584 51.410 52.037 -0.072 0.000 0.710 371 A CB 1.842 20.793 19.000 -0.082 0.000 1.288 371 A HN -0.091 nan 8.150 nan 0.000 0.408 372 V N 0.165 120.015 119.914 -0.107 0.000 3.159 372 V HA 0.795 4.915 4.120 -0.000 0.000 0.308 372 V C -0.591 175.413 176.094 -0.150 0.000 1.190 372 V CA -0.358 61.878 62.300 -0.106 0.000 1.037 372 V CB 2.886 34.658 31.823 -0.085 0.000 1.060 372 V HN 1.036 nan 8.190 nan 0.000 0.437 373 T N 3.376 117.853 114.554 -0.127 0.000 2.881 373 T HA 0.615 4.965 4.350 -0.000 0.000 0.290 373 T C -0.734 173.911 174.700 -0.092 0.000 1.000 373 T CA -0.133 61.878 62.100 -0.147 0.000 0.978 373 T CB 1.204 69.986 68.868 -0.143 0.000 0.997 373 T HN 0.390 nan 8.240 nan 0.000 0.443 374 I N 3.384 123.901 120.570 -0.088 0.000 2.307 374 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 374 I C -0.217 175.960 176.117 0.099 0.000 1.021 374 I CA -0.656 60.673 61.300 0.048 0.000 1.224 374 I CB 1.102 39.208 38.000 0.177 0.000 1.376 374 I HN 0.339 nan 8.210 nan 0.000 0.470 375 L N 8.041 129.307 121.223 0.071 0.000 2.283 375 L HA 0.460 4.800 4.340 -0.000 0.000 0.287 375 L C -0.319 176.597 176.870 0.078 0.000 1.073 375 L CA -0.378 54.504 54.840 0.070 0.000 0.822 375 L CB 0.504 42.617 42.059 0.091 0.000 1.186 375 L HN 0.531 nan 8.230 nan 0.000 0.436 376 I N 5.503 126.117 120.570 0.073 0.000 2.365 376 I HA 0.359 4.528 4.170 -0.000 0.000 0.291 376 I C 0.077 176.207 176.117 0.022 0.000 1.004 376 I CA -0.613 60.711 61.300 0.040 0.000 1.311 376 I CB 0.976 38.990 38.000 0.023 0.000 1.401 376 I HN 0.529 nan 8.210 nan 0.000 0.491 377 R N 3.888 124.390 120.500 0.002 0.000 2.902 377 R HA 0.895 5.234 4.340 -0.000 0.000 0.258 377 R C -0.337 175.949 176.300 -0.023 0.000 1.071 377 R CA -1.095 55.003 56.100 -0.003 0.000 1.024 377 R CB 1.962 32.260 30.300 -0.004 0.000 1.184 377 R HN 0.865 nan 8.270 nan 0.000 0.492 378 G N -1.544 107.247 108.800 -0.014 0.000 2.404 378 G HA2 0.287 4.247 3.960 -0.000 0.000 0.298 378 G HA3 0.287 4.247 3.960 -0.000 0.000 0.298 378 G C 0.349 175.252 174.900 0.005 0.000 1.577 378 G CA -0.266 44.827 45.100 -0.012 0.000 0.847 378 G HN 0.508 nan 8.290 nan 0.000 0.598 379 G N -1.029 107.779 108.800 0.013 0.000 2.462 379 G HA2 0.306 4.266 3.960 -0.000 0.000 0.220 379 G HA3 0.306 4.266 3.960 -0.000 0.000 0.220 379 G C 0.833 175.749 174.900 0.028 0.000 1.121 379 G CA 2.114 47.227 45.100 0.021 0.000 0.758 379 G HN 1.287 nan 8.290 nan 0.000 0.559 380 T N -2.281 112.294 114.554 0.035 0.000 2.821 380 T HA 0.399 4.749 4.350 -0.000 0.000 0.306 380 T C 0.443 175.169 174.700 0.044 0.000 1.313 380 T CA -0.469 61.660 62.100 0.049 0.000 1.012 380 T CB 1.698 70.611 68.868 0.074 0.000 1.298 380 T HN -0.030 nan 8.240 nan 0.000 0.502 381 E N 0.209 120.432 120.200 0.038 0.000 2.110 381 E HA -0.050 4.300 4.350 -0.000 0.000 0.193 381 E C 1.449 178.014 176.600 -0.060 0.000 0.988 381 E CA 1.568 57.955 56.400 -0.021 0.000 0.804 381 E CB -0.135 29.531 29.700 -0.056 0.000 0.745 381 E HN 0.625 nan 8.360 nan 0.000 0.458 382 H N -1.056 118.011 119.070 -0.004 0.000 2.389 382 H HA -0.029 4.526 4.556 -0.000 0.000 0.299 382 H C 1.891 177.214 175.328 -0.008 0.000 1.081 382 H CA 1.254 57.298 56.048 -0.006 0.000 1.345 382 H CB 0.043 29.803 29.762 -0.003 0.000 1.393 382 H HN -0.017 nan 8.280 nan 0.000 0.520 383 V N 0.565 120.543 119.914 0.106 0.000 2.407 383 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 383 V C 2.158 178.262 176.094 0.017 0.000 1.055 383 V CA 1.168 63.502 62.300 0.057 0.000 1.049 383 V CB -0.337 31.515 31.823 0.048 0.000 0.662 383 V HN 0.409 nan 8.190 nan 0.000 0.455 384 I N 0.326 120.896 120.570 -0.000 0.000 2.179 384 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 384 I C 2.325 178.412 176.117 -0.051 0.000 1.088 384 I CA 1.741 63.025 61.300 -0.026 0.000 1.357 384 I CB -1.307 36.677 38.000 -0.026 0.000 1.051 384 I HN 0.366 nan 8.210 nan 0.000 0.409 385 D N 0.344 120.708 120.400 -0.061 0.000 2.144 385 D HA -0.217 4.423 4.640 -0.000 0.000 0.199 385 D C 2.088 178.347 176.300 -0.068 0.000 0.984 385 D CA 1.130 55.084 54.000 -0.077 0.000 0.834 385 D CB -0.101 40.641 40.800 -0.098 0.000 0.955 385 D HN 0.327 nan 8.370 nan 0.000 0.465 386 E N 0.712 120.891 120.200 -0.035 0.000 2.150 386 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 386 E C 2.004 178.572 176.600 -0.053 0.000 0.985 386 E CA 0.412 56.795 56.400 -0.028 0.000 0.814 386 E CB -0.098 29.607 29.700 0.008 0.000 0.752 386 E HN 0.004 nan 8.360 nan 0.000 0.466 387 V N 0.893 120.774 119.914 -0.055 0.000 2.427 387 V HA -0.201 3.918 4.120 -0.000 0.000 0.248 387 V C 2.389 178.388 176.094 -0.160 0.000 1.051 387 V CA 2.074 64.330 62.300 -0.072 0.000 1.048 387 V CB -0.505 31.287 31.823 -0.052 0.000 0.666 387 V HN 0.386 nan 8.190 nan 0.000 0.456 388 E N 0.206 120.287 120.200 -0.198 0.000 2.077 388 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 388 E C 2.478 178.848 176.600 -0.382 0.000 0.989 388 E CA 1.223 57.400 56.400 -0.372 0.000 0.800 388 E CB -0.031 29.503 29.700 -0.277 0.000 0.746 388 E HN 0.501 nan 8.360 nan 0.000 0.452 389 R N -0.149 120.225 120.500 -0.210 0.000 2.096 389 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 389 R C 2.395 178.613 176.300 -0.137 0.000 1.127 389 R CA 1.021 57.030 56.100 -0.152 0.000 0.968 389 R CB -0.251 29.999 30.300 -0.084 0.000 0.861 389 R HN 0.165 nan 8.270 nan 0.000 0.440 390 A N 1.030 123.779 122.820 -0.119 0.000 1.933 390 A HA -0.126 4.193 4.320 -0.000 0.000 0.218 390 A C 2.116 179.644 177.584 -0.093 0.000 1.175 390 A CA 1.147 53.137 52.037 -0.077 0.000 0.628 390 A CB -0.428 18.544 19.000 -0.047 0.000 0.814 390 A HN 0.191 nan 8.150 nan 0.000 0.444 391 L N -0.898 120.215 121.223 -0.185 0.000 2.156 391 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 391 L C 2.512 179.316 176.870 -0.111 0.000 1.095 391 L CA 1.186 55.925 54.840 -0.169 0.000 0.770 391 L CB -0.465 41.398 42.059 -0.327 0.000 0.914 391 L HN 0.469 nan 8.230 nan 0.000 0.439 392 E N 0.033 120.094 120.200 -0.231 0.000 2.077 392 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 392 E C 1.603 178.218 176.600 0.024 0.000 0.989 392 E CA 1.254 57.633 56.400 -0.035 0.000 0.800 392 E CB 0.004 29.660 29.700 -0.074 0.000 0.746 392 E HN 0.451 nan 8.360 nan 0.000 0.452 393 D N 0.498 120.889 120.400 -0.014 0.000 2.097 393 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 393 D C 1.945 178.257 176.300 0.021 0.000 0.984 393 D CA 1.293 55.295 54.000 0.004 0.000 0.826 393 D CB -0.351 40.444 40.800 -0.009 0.000 0.973 393 D HN 0.137 nan 8.370 nan 0.000 0.460 394 A N 0.688 123.520 122.820 0.021 0.000 1.908 394 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 394 A C 2.524 180.138 177.584 0.051 0.000 1.181 394 A CA 1.379 53.436 52.037 0.034 0.000 0.627 394 A CB -0.861 18.161 19.000 0.036 0.000 0.818 394 A HN 0.157 nan 8.150 nan 0.000 0.445 395 V N -0.040 119.927 119.914 0.088 0.000 2.407 395 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 395 V C 2.454 178.583 176.094 0.060 0.000 1.055 395 V CA 2.332 64.690 62.300 0.098 0.000 1.049 395 V CB -0.556 31.382 31.823 0.192 0.000 0.662 395 V HN 0.558 nan 8.190 nan 0.000 0.455 396 K N -0.010 120.424 120.400 0.056 0.000 2.103 396 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 396 K C 2.036 178.650 176.600 0.024 0.000 1.052 396 K CA 1.580 57.890 56.287 0.038 0.000 0.945 396 K CB -0.281 32.239 32.500 0.035 0.000 0.722 396 K HN 0.563 nan 8.250 nan 0.000 0.443 397 V N -1.733 118.195 119.914 0.022 0.000 2.453 397 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 397 V C 2.096 178.195 176.094 0.009 0.000 1.048 397 V CA 1.135 63.444 62.300 0.014 0.000 1.049 397 V CB -0.673 31.159 31.823 0.014 0.000 0.672 397 V HN -0.057 nan 8.190 nan 0.000 0.457 398 V N 0.749 120.668 119.914 0.008 0.000 2.427 398 V HA -0.241 3.878 4.120 -0.000 0.000 0.248 398 V C 2.711 178.795 176.094 -0.017 0.000 1.051 398 V CA 2.584 64.879 62.300 -0.007 0.000 1.048 398 V CB -0.773 31.046 31.823 -0.008 0.000 0.666 398 V HN 0.691 nan 8.190 nan 0.000 0.456 399 K N 0.041 120.438 120.400 -0.005 0.000 2.057 399 K HA -0.236 4.083 4.320 -0.000 0.000 0.207 399 K C 1.829 178.432 176.600 0.004 0.000 1.049 399 K CA 1.981 58.266 56.287 -0.004 0.000 0.931 399 K CB -0.286 32.220 32.500 0.010 0.000 0.714 399 K HN 0.433 nan 8.250 nan 0.000 0.440 400 D N 0.478 120.884 120.400 0.009 0.000 2.123 400 D HA -0.150 4.489 4.640 -0.000 0.000 0.196 400 D C 1.922 178.230 176.300 0.012 0.000 0.992 400 D CA 1.276 55.284 54.000 0.013 0.000 0.833 400 D CB -0.116 40.692 40.800 0.012 0.000 0.954 400 D HN 0.110 nan 8.370 nan 0.000 0.455 401 V N 0.624 120.540 119.914 0.003 0.000 2.871 401 V HA -0.093 4.027 4.120 -0.000 0.000 0.256 401 V C 2.332 178.424 176.094 -0.002 0.000 1.082 401 V CA 0.869 63.170 62.300 0.002 0.000 1.105 401 V CB -0.262 31.558 31.823 -0.005 0.000 0.713 401 V HN 0.184 nan 8.190 nan 0.000 0.473 402 M N -0.772 118.815 119.600 -0.021 0.000 2.334 402 M HA -0.035 4.445 4.480 -0.000 0.000 0.266 402 M C 2.086 178.427 176.300 0.068 0.000 1.082 402 M CA 1.331 56.607 55.300 -0.041 0.000 1.141 402 M CB -0.116 32.384 32.600 -0.166 0.000 1.380 402 M HN 0.376 nan 8.290 nan 0.000 0.440 403 E N 0.145 120.380 120.200 0.058 0.000 2.086 403 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 403 E C -0.056 176.582 176.600 0.063 0.000 0.975 403 E CA 0.560 57.006 56.400 0.078 0.000 0.813 403 E CB 0.269 30.001 29.700 0.054 0.000 0.768 403 E HN 0.439 nan 8.360 nan 0.000 0.457 404 D N -0.760 119.666 120.400 0.044 0.000 2.440 404 D HA 0.303 4.943 4.640 -0.000 0.000 0.258 404 D C 0.275 176.598 176.300 0.038 0.000 1.092 404 D CA -0.359 53.662 54.000 0.035 0.000 1.016 404 D CB 1.337 42.152 40.800 0.024 0.000 1.141 404 D HN 0.094 nan 8.370 nan 0.000 0.552 405 G N -1.205 107.615 108.800 0.033 0.000 4.637 405 G HA2 0.548 4.508 3.960 -0.000 0.000 0.294 405 G HA3 0.548 4.508 3.960 -0.000 0.000 0.294 405 G C -0.553 174.361 174.900 0.023 0.000 1.215 405 G CA -0.270 44.850 45.100 0.033 0.000 0.943 405 G HN 0.521 nan 8.290 nan 0.000 0.572 406 A N 0.071 122.902 122.820 0.019 0.000 2.455 406 A HA 0.864 5.184 4.320 -0.000 0.000 0.300 406 A C -0.514 177.078 177.584 0.013 0.000 1.040 406 A CA -0.511 51.535 52.037 0.015 0.000 0.697 406 A CB 1.915 20.923 19.000 0.014 0.000 1.265 406 A HN 1.241 nan 8.150 nan 0.000 0.407 407 V N -0.261 119.660 119.914 0.012 0.000 3.155 407 V HA 0.932 5.052 4.120 -0.000 0.000 0.313 407 V C -0.769 175.332 176.094 0.013 0.000 1.162 407 V CA -0.966 61.342 62.300 0.012 0.000 1.048 407 V CB 1.646 33.475 31.823 0.011 0.000 1.092 407 V HN 0.863 nan 8.190 nan 0.000 0.447 408 L N 1.241 122.472 121.223 0.014 0.000 2.393 408 L HA 0.647 4.987 4.340 -0.000 0.000 0.260 408 L C -2.636 174.246 176.870 0.020 0.000 1.002 408 L CA -1.898 52.953 54.840 0.018 0.000 0.818 408 L CB 3.234 45.304 42.059 0.018 0.000 1.369 408 L HN 0.539 nan 8.230 nan 0.000 0.412 409 P HA 0.197 nan 4.420 nan 0.000 0.272 409 P C -0.936 176.380 177.300 0.027 0.000 1.230 409 P CA -0.132 62.984 63.100 0.028 0.000 0.788 409 P CB 1.641 33.363 31.700 0.036 0.000 0.949 410 A N 1.162 123.996 122.820 0.023 0.000 3.687 410 A HA 0.678 4.997 4.320 -0.000 0.000 0.164 410 A C 1.190 178.781 177.584 0.012 0.000 1.564 410 A CA -0.068 51.977 52.037 0.014 0.000 0.896 410 A CB -0.840 18.166 19.000 0.010 0.000 1.731 410 A HN 0.686 nan 8.150 nan 0.000 0.607 411 G N -2.129 106.669 108.800 -0.004 0.000 2.203 411 G HA2 0.190 4.150 3.960 -0.000 0.000 0.263 411 G HA3 0.190 4.150 3.960 -0.000 0.000 0.263 411 G C 1.660 176.551 174.900 -0.016 0.000 1.012 411 G CA 1.315 46.406 45.100 -0.014 0.000 0.749 411 G HN 2.612 nan 8.290 nan 0.000 0.512 412 G N -1.695 107.093 108.800 -0.019 0.000 2.162 412 G HA2 0.059 4.019 3.960 -0.000 0.000 0.260 412 G HA3 0.059 4.019 3.960 -0.000 0.000 0.260 412 G C 1.623 176.505 174.900 -0.030 0.000 0.976 412 G CA 1.309 46.389 45.100 -0.033 0.000 0.655 412 G HN 2.062 nan 8.290 nan 0.000 0.533 413 A N 0.767 123.596 122.820 0.016 0.000 1.902 413 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 413 A C 0.647 178.261 177.584 0.050 0.000 1.181 413 A CA 2.467 54.551 52.037 0.077 0.000 0.623 413 A CB -0.927 18.160 19.000 0.145 0.000 0.818 413 A HN 0.472 nan 8.150 nan 0.000 0.443 414 P HA -0.148 nan 4.420 nan 0.000 0.215 414 P C 1.198 178.488 177.300 -0.017 0.000 1.157 414 P CA 1.396 64.509 63.100 0.022 0.000 0.859 414 P CB -0.100 31.610 31.700 0.017 0.000 0.786 415 E N -0.027 120.150 120.200 -0.039 0.000 2.150 415 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 415 E C 2.084 178.628 176.600 -0.092 0.000 0.985 415 E CA 1.061 57.427 56.400 -0.057 0.000 0.814 415 E CB -1.286 28.375 29.700 -0.066 0.000 0.752 415 E HN 0.318 nan 8.360 nan 0.000 0.466 416 I N 1.321 121.799 120.570 -0.154 0.000 2.252 416 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 416 I C 2.671 178.612 176.117 -0.294 0.000 1.102 416 I CA 1.476 62.613 61.300 -0.271 0.000 1.385 416 I CB -0.154 37.570 38.000 -0.461 0.000 1.064 416 I HN 0.065 nan 8.210 nan 0.000 0.414 417 E N 1.407 121.463 120.200 -0.239 0.000 2.110 417 E HA -0.181 4.168 4.350 -0.000 0.000 0.193 417 E C 2.140 178.739 176.600 -0.003 0.000 0.988 417 E CA 1.390 57.769 56.400 -0.035 0.000 0.804 417 E CB -0.255 29.524 29.700 0.132 0.000 0.745 417 E HN 0.408 nan 8.360 nan 0.000 0.458 418 L N -0.214 121.005 121.223 -0.007 0.000 2.093 418 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 418 L C 2.498 179.390 176.870 0.038 0.000 1.085 418 L CA 1.030 55.885 54.840 0.025 0.000 0.755 418 L CB -0.582 41.500 42.059 0.038 0.000 0.904 418 L HN 0.231 nan 8.230 nan 0.000 0.435 419 A N 0.379 123.201 122.820 0.003 0.000 1.902 419 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 419 A C 2.190 179.788 177.584 0.024 0.000 1.181 419 A CA 1.430 53.475 52.037 0.013 0.000 0.623 419 A CB -0.570 18.412 19.000 -0.030 0.000 0.818 419 A HN 0.334 nan 8.150 nan 0.000 0.443 420 I N -1.008 119.565 120.570 0.004 0.000 2.142 420 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 420 I C 2.763 178.911 176.117 0.052 0.000 1.078 420 I CA 1.130 62.445 61.300 0.025 0.000 1.343 420 I CB -0.326 37.691 38.000 0.028 0.000 1.046 420 I HN 0.209 nan 8.210 nan 0.000 0.405 421 R N 0.694 121.226 120.500 0.053 0.000 2.075 421 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 421 R C 2.275 178.634 176.300 0.098 0.000 1.126 421 R CA 1.292 57.430 56.100 0.063 0.000 0.963 421 R CB -0.744 29.579 30.300 0.038 0.000 0.858 421 R HN 0.402 nan 8.270 nan 0.000 0.435 422 L N 0.288 121.576 121.223 0.109 0.000 2.141 422 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 422 L C 2.057 179.037 176.870 0.183 0.000 1.094 422 L CA 1.282 56.230 54.840 0.180 0.000 0.763 422 L CB -0.482 41.688 42.059 0.185 0.000 0.908 422 L HN 0.134 nan 8.230 nan 0.000 0.437 423 D N 0.143 120.616 120.400 0.123 0.000 2.144 423 D HA -0.264 4.376 4.640 -0.000 0.000 0.199 423 D C 2.141 178.490 176.300 0.081 0.000 0.984 423 D CA 1.241 55.296 54.000 0.091 0.000 0.834 423 D CB 0.212 41.050 40.800 0.064 0.000 0.955 423 D HN 0.297 nan 8.370 nan 0.000 0.465 424 E N -1.444 118.813 120.200 0.095 0.000 2.072 424 E HA -0.224 4.126 4.350 -0.000 0.000 0.190 424 E C 1.889 178.559 176.600 0.116 0.000 0.982 424 E CA 0.507 56.958 56.400 0.086 0.000 0.803 424 E CB -0.285 29.465 29.700 0.083 0.000 0.755 424 E HN 0.430 nan 8.360 nan 0.000 0.453 425 Y N 1.130 121.438 120.300 0.013 0.000 2.207 425 Y HA -0.191 4.358 4.550 -0.000 0.000 0.287 425 Y C 2.003 177.907 175.900 0.007 0.000 1.156 425 Y CA 1.503 59.606 58.100 0.005 0.000 1.182 425 Y CB -0.750 37.708 38.460 -0.003 0.000 0.979 425 Y HN 0.142 nan 8.280 nan 0.000 0.521 426 A N 0.583 123.364 122.820 -0.067 0.000 1.892 426 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 426 A C 2.258 179.758 177.584 -0.140 0.000 1.188 426 A CA 2.305 54.253 52.037 -0.149 0.000 0.631 426 A CB -0.701 18.291 19.000 -0.014 0.000 0.822 426 A HN 0.535 nan 8.150 nan 0.000 0.447 427 K N -0.694 119.669 120.400 -0.062 0.000 2.211 427 K HA -0.205 4.115 4.320 -0.000 0.000 0.204 427 K C 2.323 178.884 176.600 -0.066 0.000 1.047 427 K CA 1.514 57.773 56.287 -0.045 0.000 0.935 427 K CB -0.122 32.373 32.500 -0.010 0.000 0.728 427 K HN 0.762 nan 8.250 nan 0.000 0.452 428 Q N 0.681 120.426 119.800 -0.091 0.000 2.172 428 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 428 Q C 1.786 177.696 176.000 -0.149 0.000 0.964 428 Q CA 1.022 56.774 55.803 -0.085 0.000 0.855 428 Q CB 0.319 29.042 28.738 -0.025 0.000 0.918 428 Q HN 0.103 nan 8.270 nan 0.000 0.444 429 V N 0.222 119.969 119.914 -0.278 0.000 2.535 429 V HA 0.090 4.209 4.120 -0.000 0.000 0.246 429 V C 1.247 177.253 176.094 -0.146 0.000 1.045 429 V CA 1.083 63.226 62.300 -0.262 0.000 1.058 429 V CB -0.668 30.901 31.823 -0.423 0.000 0.689 429 V HN 0.698 nan 8.190 nan 0.000 0.461 430 G N -0.621 108.105 108.800 -0.124 0.000 2.804 430 G HA2 0.271 4.231 3.960 -0.000 0.000 0.230 430 G HA3 0.271 4.231 3.960 -0.000 0.000 0.230 430 G C 0.540 175.404 174.900 -0.060 0.000 1.386 430 G CA -0.446 44.609 45.100 -0.074 0.000 0.875 430 G HN 1.732 nan 8.290 nan 0.000 0.557 431 G N -1.132 107.645 108.800 -0.039 0.000 2.641 431 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.254 431 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.254 431 G C 0.908 175.794 174.900 -0.024 0.000 1.315 431 G CA 1.043 46.126 45.100 -0.030 0.000 0.907 431 G HN 1.487 nan 8.290 nan 0.000 0.572 432 K N 0.322 120.711 120.400 -0.018 0.000 2.217 432 K HA -0.002 4.317 4.320 -0.000 0.000 0.202 432 K C 2.379 178.972 176.600 -0.012 0.000 1.051 432 K CA 1.671 57.951 56.287 -0.011 0.000 0.952 432 K CB -0.052 32.444 32.500 -0.006 0.000 0.736 432 K HN 0.562 nan 8.250 nan 0.000 0.453 433 E N 0.980 121.167 120.200 -0.022 0.000 2.153 433 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 433 E C 1.917 178.505 176.600 -0.020 0.000 0.988 433 E CA 1.184 57.571 56.400 -0.021 0.000 0.811 433 E CB -0.113 29.565 29.700 -0.038 0.000 0.746 433 E HN 0.331 nan 8.360 nan 0.000 0.466 434 A N 0.444 123.240 122.820 -0.040 0.000 1.972 434 A HA -0.162 4.157 4.320 -0.000 0.000 0.219 434 A C 1.936 179.525 177.584 0.009 0.000 1.169 434 A CA 0.978 52.989 52.037 -0.043 0.000 0.635 434 A CB -0.349 18.617 19.000 -0.056 0.000 0.810 434 A HN 0.137 nan 8.150 nan 0.000 0.446 435 L N -0.550 120.682 121.223 0.016 0.000 2.056 435 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 435 L C 2.943 179.863 176.870 0.082 0.000 1.078 435 L CA 1.821 56.683 54.840 0.038 0.000 0.749 435 L CB -1.226 40.845 42.059 0.020 0.000 0.901 435 L HN 0.401 nan 8.230 nan 0.000 0.433 436 A N -0.582 122.286 122.820 0.080 0.000 1.898 436 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 436 A C 2.306 180.096 177.584 0.344 0.000 1.181 436 A CA 1.562 53.694 52.037 0.158 0.000 0.620 436 A CB -0.631 18.395 19.000 0.043 0.000 0.819 436 A HN 0.375 nan 8.150 nan 0.000 0.442 437 I N -0.283 120.411 120.570 0.207 0.000 2.226 437 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 437 I C 2.454 178.702 176.117 0.217 0.000 1.100 437 I CA 1.505 62.923 61.300 0.196 0.000 1.374 437 I CB -0.484 37.555 38.000 0.065 0.000 1.057 437 I HN 0.429 nan 8.210 nan 0.000 0.413 438 E N 0.920 121.212 120.200 0.153 0.000 2.051 438 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 438 E C 1.865 178.558 176.600 0.154 0.000 0.991 438 E CA 1.429 57.905 56.400 0.127 0.000 0.799 438 E CB -0.239 29.510 29.700 0.081 0.000 0.748 438 E HN 0.466 nan 8.360 nan 0.000 0.449 439 N N 0.457 119.273 118.700 0.194 0.000 2.166 439 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 439 N C 1.448 177.076 175.510 0.195 0.000 1.019 439 N CA 0.744 53.913 53.050 0.198 0.000 0.856 439 N CB -0.339 38.294 38.487 0.242 0.000 0.993 439 N HN 0.121 nan 8.380 nan 0.000 0.426 440 F N 1.204 121.211 119.950 0.095 0.000 2.102 440 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 440 F C 2.133 177.876 175.800 -0.094 0.000 1.105 440 F CA 1.315 59.215 58.000 -0.166 0.000 1.239 440 F CB -0.279 38.585 39.000 -0.227 0.000 0.991 440 F HN 0.046 nan 8.300 nan 0.000 0.474 441 A N -0.116 122.856 122.820 0.254 0.000 1.858 441 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 441 A C 1.877 179.471 177.584 0.016 0.000 1.190 441 A CA 2.139 54.263 52.037 0.146 0.000 0.617 441 A CB -1.394 17.694 19.000 0.146 0.000 0.827 441 A HN 0.524 nan 8.150 nan 0.000 0.443 442 D N -0.474 119.939 120.400 0.020 0.000 2.149 442 D HA -0.065 4.575 4.640 -0.000 0.000 0.198 442 D C 1.953 178.216 176.300 -0.061 0.000 0.990 442 D CA 1.569 55.562 54.000 -0.012 0.000 0.839 442 D CB -0.145 40.662 40.800 0.011 0.000 0.948 442 D HN 0.375 nan 8.370 nan 0.000 0.460 443 A N 0.168 122.922 122.820 -0.110 0.000 1.933 443 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 443 A C 2.292 179.757 177.584 -0.198 0.000 1.175 443 A CA 1.005 52.939 52.037 -0.171 0.000 0.628 443 A CB -0.861 17.973 19.000 -0.276 0.000 0.814 443 A HN 0.393 nan 8.150 nan 0.000 0.444 444 L N -0.824 120.262 121.223 -0.228 0.000 2.349 444 L HA -0.198 4.142 4.340 -0.000 0.000 0.220 444 L C 2.167 178.965 176.870 -0.121 0.000 1.130 444 L CA 1.341 56.068 54.840 -0.187 0.000 0.791 444 L CB -0.495 41.476 42.059 -0.148 0.000 0.918 444 L HN 0.383 nan 8.230 nan 0.000 0.444 445 K N 0.295 120.635 120.400 -0.100 0.000 2.442 445 K HA -0.126 4.193 4.320 -0.000 0.000 0.198 445 K C 1.841 178.396 176.600 -0.075 0.000 1.042 445 K CA 0.864 57.104 56.287 -0.079 0.000 0.958 445 K CB -0.154 32.308 32.500 -0.063 0.000 0.766 445 K HN 0.313 nan 8.250 nan 0.000 0.474 446 I N -0.014 120.507 120.570 -0.083 0.000 2.335 446 I HA -0.271 3.899 4.170 -0.000 0.000 0.251 446 I C 1.734 177.810 176.117 -0.068 0.000 1.129 446 I CA 1.180 62.437 61.300 -0.072 0.000 1.402 446 I CB -0.611 37.344 38.000 -0.075 0.000 1.069 446 I HN -0.021 nan 8.210 nan 0.000 0.424 447 I N 1.337 121.863 120.570 -0.074 0.000 2.076 447 I HA -0.165 4.005 4.170 -0.000 0.000 0.237 447 I C 0.266 176.346 176.117 -0.061 0.000 1.059 447 I CA 1.902 63.163 61.300 -0.066 0.000 1.317 447 I CB -2.956 35.005 38.000 -0.065 0.000 1.037 447 I HN 0.192 nan 8.210 nan 0.000 0.398 448 P HA -0.199 nan 4.420 nan 0.000 0.216 448 P C 1.795 179.062 177.300 -0.054 0.000 1.153 448 P CA 1.777 64.843 63.100 -0.057 0.000 0.858 448 P CB -0.102 31.562 31.700 -0.060 0.000 0.789 449 K N -0.459 119.909 120.400 -0.053 0.000 2.009 449 K HA -0.168 4.151 4.320 -0.000 0.000 0.210 449 K C 2.119 178.690 176.600 -0.048 0.000 1.049 449 K CA 2.356 58.615 56.287 -0.047 0.000 0.929 449 K CB -0.807 31.665 32.500 -0.046 0.000 0.714 449 K HN 0.154 nan 8.250 nan 0.000 0.440 450 T N -0.561 113.963 114.554 -0.051 0.000 3.023 450 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 450 T C 1.940 176.606 174.700 -0.056 0.000 1.093 450 T CA 0.596 62.666 62.100 -0.050 0.000 1.129 450 T CB -0.147 68.692 68.868 -0.049 0.000 0.899 450 T HN 0.220 nan 8.240 nan 0.000 0.491 451 L N 0.673 121.858 121.223 -0.063 0.000 2.046 451 L HA 0.067 4.406 4.340 -0.000 0.000 0.208 451 L C 3.320 180.142 176.870 -0.081 0.000 1.077 451 L CA 1.425 56.219 54.840 -0.078 0.000 0.747 451 L CB -0.722 41.289 42.059 -0.080 0.000 0.896 451 L HN 0.420 nan 8.230 nan 0.000 0.432 452 A N -0.543 122.238 122.820 -0.066 0.000 1.897 452 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 452 A C 2.229 179.783 177.584 -0.050 0.000 1.181 452 A CA 1.493 53.495 52.037 -0.058 0.000 0.620 452 A CB -0.435 18.538 19.000 -0.045 0.000 0.821 452 A HN 0.432 nan 8.150 nan 0.000 0.443 453 E N 0.146 120.319 120.200 -0.046 0.000 2.058 453 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 453 E C 1.517 178.093 176.600 -0.040 0.000 0.997 453 E CA 1.429 57.805 56.400 -0.039 0.000 0.801 453 E CB -0.135 29.543 29.700 -0.037 0.000 0.746 453 E HN 0.544 nan 8.360 nan 0.000 0.450 454 N N 0.165 118.836 118.700 -0.048 0.000 2.364 454 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 454 N C 1.211 176.691 175.510 -0.051 0.000 1.022 454 N CA 1.086 54.107 53.050 -0.048 0.000 0.883 454 N CB -0.178 38.276 38.487 -0.055 0.000 0.965 454 N HN 0.196 nan 8.380 nan 0.000 0.438 455 A N -0.260 122.523 122.820 -0.062 0.000 2.238 455 A HA 0.401 4.721 4.320 -0.000 0.000 0.208 455 A C 1.570 179.133 177.584 -0.035 0.000 1.177 455 A CA 0.779 52.780 52.037 -0.061 0.000 0.804 455 A CB -0.351 18.596 19.000 -0.089 0.000 0.823 455 A HN 0.292 nan 8.150 nan 0.000 0.482 456 G N -1.203 107.579 108.800 -0.030 0.000 2.162 456 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 456 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 456 G C 0.166 175.055 174.900 -0.018 0.000 0.976 456 G CA 0.433 45.521 45.100 -0.020 0.000 0.655 456 G HN 0.453 nan 8.290 nan 0.000 0.533 457 L N 0.467 121.676 121.223 -0.023 0.000 2.466 457 L HA 0.398 4.738 4.340 -0.000 0.000 0.257 457 L C 0.716 177.576 176.870 -0.018 0.000 1.189 457 L CA -0.750 54.079 54.840 -0.019 0.000 0.813 457 L CB 0.454 42.499 42.059 -0.023 0.000 1.118 457 L HN 0.113 nan 8.230 nan 0.000 0.471 458 D N 0.628 121.020 120.400 -0.014 0.000 2.342 458 D HA -0.008 4.632 4.640 -0.000 0.000 0.260 458 D C 0.931 177.221 176.300 -0.016 0.000 1.278 458 D CA 0.135 54.127 54.000 -0.013 0.000 0.910 458 D CB 1.313 42.108 40.800 -0.009 0.000 1.079 458 D HN 0.489 nan 8.370 nan 0.000 0.496 459 T N 2.912 117.455 114.554 -0.019 0.000 2.635 459 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 459 T C 1.983 176.672 174.700 -0.019 0.000 1.040 459 T CA 1.387 63.474 62.100 -0.022 0.000 1.156 459 T CB 0.017 68.871 68.868 -0.023 0.000 0.863 459 T HN 0.350 nan 8.240 nan 0.000 0.430 460 V N 1.163 121.068 119.914 -0.015 0.000 2.332 460 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 460 V C 2.453 178.541 176.094 -0.010 0.000 1.055 460 V CA 2.027 64.319 62.300 -0.012 0.000 1.038 460 V CB -0.562 31.255 31.823 -0.010 0.000 0.651 460 V HN 0.558 nan 8.190 nan 0.000 0.450 461 E N -0.522 119.673 120.200 -0.009 0.000 2.047 461 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 461 E C 2.361 178.957 176.600 -0.006 0.000 0.987 461 E CA 1.356 57.752 56.400 -0.006 0.000 0.799 461 E CB -0.069 29.628 29.700 -0.005 0.000 0.752 461 E HN 0.354 nan 8.360 nan 0.000 0.449 462 M N 0.331 119.925 119.600 -0.010 0.000 2.108 462 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 462 M C 2.372 178.664 176.300 -0.012 0.000 1.066 462 M CA 0.965 56.259 55.300 -0.011 0.000 1.107 462 M CB -0.908 31.681 32.600 -0.018 0.000 1.356 462 M HN 0.210 nan 8.290 nan 0.000 0.406 463 L N -0.319 120.894 121.223 -0.017 0.000 2.017 463 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 463 L C 2.570 179.433 176.870 -0.012 0.000 1.073 463 L CA 1.327 56.154 54.840 -0.020 0.000 0.745 463 L CB -1.221 40.824 42.059 -0.024 0.000 0.894 463 L HN 0.041 nan 8.230 nan 0.000 0.432 464 V N -0.451 119.458 119.914 -0.007 0.000 2.287 464 V HA -0.351 3.768 4.120 -0.000 0.000 0.248 464 V C 2.515 178.612 176.094 0.006 0.000 1.053 464 V CA 1.911 64.211 62.300 -0.001 0.000 1.027 464 V CB -0.540 31.283 31.823 0.000 0.000 0.646 464 V HN 0.463 nan 8.190 nan 0.000 0.447 465 K N -0.442 119.962 120.400 0.006 0.000 2.057 465 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 465 K C 2.000 178.613 176.600 0.022 0.000 1.050 465 K CA 1.366 57.661 56.287 0.013 0.000 0.935 465 K CB -0.328 32.178 32.500 0.010 0.000 0.715 465 K HN 0.370 nan 8.250 nan 0.000 0.439 466 V N 1.692 121.617 119.914 0.018 0.000 2.453 466 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 466 V C 2.132 178.255 176.094 0.048 0.000 1.048 466 V CA 1.443 63.763 62.300 0.032 0.000 1.049 466 V CB -0.427 31.402 31.823 0.010 0.000 0.672 466 V HN 0.256 nan 8.190 nan 0.000 0.457 467 I N 1.124 121.703 120.570 0.016 0.000 2.286 467 I HA -0.177 3.992 4.170 -0.000 0.000 0.245 467 I C 2.735 178.890 176.117 0.064 0.000 1.104 467 I CA 1.638 62.944 61.300 0.011 0.000 1.397 467 I CB -0.484 37.505 38.000 -0.018 0.000 1.072 467 I HN 0.472 nan 8.210 nan 0.000 0.417 468 S N 0.463 116.191 115.700 0.047 0.000 2.355 468 S HA -0.261 4.209 4.470 -0.000 0.000 0.222 468 S C 1.928 176.564 174.600 0.060 0.000 1.031 468 S CA 1.400 59.629 58.200 0.047 0.000 0.993 468 S CB -0.591 62.626 63.200 0.029 0.000 0.859 468 S HN 0.491 nan 8.310 nan 0.000 0.453 469 E N 0.615 120.851 120.200 0.060 0.000 2.153 469 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 469 E C 1.989 178.632 176.600 0.073 0.000 0.988 469 E CA 1.160 57.592 56.400 0.052 0.000 0.811 469 E CB -0.250 29.475 29.700 0.043 0.000 0.746 469 E HN 0.853 nan 8.360 nan 0.000 0.466 470 H N 0.245 119.317 119.070 0.003 0.000 2.326 470 H HA 0.002 4.558 4.556 -0.000 0.000 0.301 470 H C 1.848 177.179 175.328 0.005 0.000 1.081 470 H CA 1.847 57.897 56.048 0.004 0.000 1.334 470 H CB 0.267 30.031 29.762 0.003 0.000 1.385 470 H HN -0.022 nan 8.280 nan 0.000 0.504 471 K N -0.014 120.498 120.400 0.187 0.000 2.103 471 K HA -0.174 4.145 4.320 -0.000 0.000 0.207 471 K C 2.152 178.772 176.600 0.035 0.000 1.048 471 K CA 1.371 57.725 56.287 0.113 0.000 0.930 471 K CB -0.130 32.423 32.500 0.088 0.000 0.716 471 K HN 0.478 nan 8.250 nan 0.000 0.444 472 N N 0.915 119.629 118.700 0.023 0.000 2.132 472 N HA -0.115 4.625 4.740 -0.000 0.000 0.187 472 N C 1.756 177.252 175.510 -0.024 0.000 1.038 472 N CA 0.838 53.889 53.050 0.003 0.000 0.846 472 N CB 0.208 38.701 38.487 0.009 0.000 1.012 472 N HN 0.104 nan 8.380 nan 0.000 0.429 473 R N -0.074 120.400 120.500 -0.042 0.000 2.127 473 R HA 0.214 4.553 4.340 -0.000 0.000 0.217 473 R C 0.813 177.044 176.300 -0.114 0.000 1.074 473 R CA 0.639 56.701 56.100 -0.064 0.000 0.991 473 R CB 0.303 30.573 30.300 -0.051 0.000 0.895 473 R HN 0.329 nan 8.270 nan 0.000 0.450 474 G N -0.880 107.792 108.800 -0.215 0.000 2.359 474 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.303 474 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.303 474 G C 0.089 174.657 174.900 -0.553 0.000 1.293 474 G CA -0.863 44.072 45.100 -0.275 0.000 0.964 474 G HN 0.006 nan 8.290 nan 0.000 0.531 475 L N 0.701 121.735 121.223 -0.316 0.000 2.079 475 L HA 0.035 4.375 4.340 -0.000 0.000 0.210 475 L C 2.900 179.705 176.870 -0.109 0.000 1.081 475 L CA 1.943 56.663 54.840 -0.199 0.000 0.752 475 L CB -0.499 41.537 42.059 -0.039 0.000 0.896 475 L HN 0.766 nan 8.230 nan 0.000 0.433 476 G N -0.150 108.585 108.800 -0.108 0.000 2.848 476 G HA2 0.022 3.981 3.960 -0.000 0.000 0.208 476 G HA3 0.022 3.981 3.960 -0.000 0.000 0.208 476 G C 0.827 175.731 174.900 0.005 0.000 1.152 476 G CA -0.266 44.819 45.100 -0.025 0.000 0.789 476 G HN 0.085 nan 8.290 nan 0.000 0.531 477 I N 2.095 122.644 120.570 -0.036 0.000 2.505 477 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 477 I C 0.949 177.206 176.117 0.233 0.000 1.104 477 I CA -0.243 61.108 61.300 0.086 0.000 1.387 477 I CB 0.074 38.100 38.000 0.045 0.000 1.404 477 I HN 0.011 nan 8.210 nan 0.000 0.528 478 G N 6.732 115.599 108.800 0.112 0.000 3.105 478 G HA2 0.712 4.672 3.960 -0.000 0.000 0.277 478 G HA3 0.712 4.672 3.960 -0.000 0.000 0.277 478 G C -0.745 174.178 174.900 0.037 0.000 1.375 478 G CA -0.756 44.389 45.100 0.073 0.000 0.962 478 G HN 0.392 nan 8.290 nan 0.000 0.541 479 I N 1.014 121.588 120.570 0.006 0.000 2.342 479 I HA 0.173 4.343 4.170 -0.000 0.000 0.291 479 I C -0.750 175.354 176.117 -0.022 0.000 1.010 479 I CA -0.410 60.883 61.300 -0.010 0.000 1.308 479 I CB 1.623 39.603 38.000 -0.032 0.000 1.400 479 I HN 0.268 nan 8.210 nan 0.000 0.488 480 D N 6.354 126.750 120.400 -0.007 0.000 2.411 480 D HA 0.122 4.762 4.640 -0.000 0.000 0.225 480 D C 1.037 177.314 176.300 -0.039 0.000 1.156 480 D CA -0.450 53.552 54.000 0.002 0.000 0.874 480 D CB 1.323 42.152 40.800 0.049 0.000 1.034 480 D HN 0.380 nan 8.370 nan 0.000 0.502 481 V N 2.263 122.085 119.914 -0.153 0.000 2.515 481 V HA -0.141 3.979 4.120 -0.000 0.000 0.250 481 V C 1.830 177.819 176.094 -0.176 0.000 1.058 481 V CA 1.076 63.244 62.300 -0.220 0.000 1.064 481 V CB -1.062 30.540 31.823 -0.368 0.000 0.675 481 V HN 0.300 nan 8.190 nan 0.000 0.461 482 F N 1.107 121.054 119.950 -0.005 0.000 2.186 482 F HA 0.085 4.612 4.527 -0.000 0.000 0.299 482 F C 2.491 178.289 175.800 -0.005 0.000 1.090 482 F CA 1.915 59.911 58.000 -0.006 0.000 1.307 482 F CB -0.522 38.474 39.000 -0.006 0.000 1.019 482 F HN 0.245 nan 8.300 nan 0.000 0.489 483 E N -0.739 119.565 120.200 0.174 0.000 2.400 483 E HA 0.203 4.553 4.350 -0.000 0.000 0.195 483 E C 1.374 178.006 176.600 0.054 0.000 1.012 483 E CA 0.627 57.086 56.400 0.098 0.000 0.875 483 E CB 0.044 29.793 29.700 0.081 0.000 0.859 483 E HN 0.233 nan 8.360 nan 0.000 0.498 484 G N 1.588 110.409 108.800 0.034 0.000 2.272 484 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.280 484 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.280 484 G C -0.243 174.664 174.900 0.010 0.000 1.067 484 G CA 0.942 46.048 45.100 0.011 0.000 0.902 484 G HN 0.358 nan 8.290 nan 0.000 0.500 485 K N -2.167 118.240 120.400 0.013 0.000 2.597 485 K HA 0.662 4.981 4.320 -0.000 0.000 0.282 485 K C -3.441 173.169 176.600 0.017 0.000 0.975 485 K CA -2.163 54.132 56.287 0.014 0.000 0.867 485 K CB 1.340 33.851 32.500 0.018 0.000 1.465 485 K HN -0.052 nan 8.250 nan 0.000 0.417 486 P HA 0.242 nan 4.420 nan 0.000 0.270 486 P C -1.205 176.112 177.300 0.028 0.000 1.223 486 P CA -0.125 62.991 63.100 0.027 0.000 0.785 486 P CB 0.858 32.578 31.700 0.033 0.000 0.923 487 A N 0.571 123.410 122.820 0.032 0.000 2.586 487 A HA 0.380 4.700 4.320 -0.000 0.000 0.291 487 A C -1.522 176.078 177.584 0.027 0.000 1.062 487 A CA -0.515 51.539 52.037 0.028 0.000 0.666 487 A CB 0.786 19.806 19.000 0.033 0.000 1.281 487 A HN 0.458 nan 8.150 nan 0.000 0.421 488 D N 1.986 122.396 120.400 0.018 0.000 2.365 488 D HA 0.250 4.890 4.640 -0.000 0.000 0.237 488 D C 0.970 177.281 176.300 0.019 0.000 1.190 488 D CA -0.421 53.585 54.000 0.010 0.000 0.867 488 D CB 0.611 41.411 40.800 -0.001 0.000 1.050 488 D HN 0.376 nan 8.370 nan 0.000 0.491 489 M N 3.448 123.063 119.600 0.025 0.000 2.159 489 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 489 M C 1.710 178.023 176.300 0.023 0.000 1.063 489 M CA 0.682 55.999 55.300 0.029 0.000 1.110 489 M CB -0.627 31.993 32.600 0.032 0.000 1.374 489 M HN 0.404 nan 8.290 nan 0.000 0.411 490 L N 0.524 121.756 121.223 0.015 0.000 2.017 490 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 490 L C 2.374 179.250 176.870 0.011 0.000 1.073 490 L CA 1.789 56.636 54.840 0.011 0.000 0.745 490 L CB -1.225 40.836 42.059 0.003 0.000 0.894 490 L HN 0.374 nan 8.230 nan 0.000 0.432 491 E N -0.701 119.505 120.200 0.009 0.000 2.077 491 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 491 E C 1.934 178.543 176.600 0.015 0.000 0.989 491 E CA 0.859 57.264 56.400 0.009 0.000 0.800 491 E CB -0.029 29.675 29.700 0.008 0.000 0.746 491 E HN 0.337 nan 8.360 nan 0.000 0.452 492 K N -0.531 119.882 120.400 0.022 0.000 2.442 492 K HA -0.037 4.283 4.320 -0.000 0.000 0.198 492 K C 1.310 177.928 176.600 0.029 0.000 1.042 492 K CA 0.877 57.181 56.287 0.029 0.000 0.958 492 K CB 0.236 32.763 32.500 0.044 0.000 0.766 492 K HN 0.337 nan 8.250 nan 0.000 0.474 493 G N 1.842 110.657 108.800 0.024 0.000 2.143 493 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.249 493 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.249 493 G C 0.152 175.068 174.900 0.028 0.000 0.981 493 G CA -0.029 45.085 45.100 0.022 0.000 0.665 493 G HN 0.311 nan 8.290 nan 0.000 0.528 494 I N 2.047 122.637 120.570 0.034 0.000 2.260 494 I HA 0.432 4.602 4.170 -0.000 0.000 0.297 494 I C 0.927 177.060 176.117 0.027 0.000 1.143 494 I CA -0.376 60.946 61.300 0.037 0.000 1.271 494 I CB -0.117 37.911 38.000 0.046 0.000 1.461 494 I HN 0.332 nan 8.210 nan 0.000 0.530 495 I N 3.275 123.859 120.570 0.023 0.000 2.934 495 I HA 0.741 4.911 4.170 -0.000 0.000 0.306 495 I C -0.779 175.347 176.117 0.016 0.000 1.110 495 I CA -0.719 60.592 61.300 0.019 0.000 1.019 495 I CB 2.368 40.377 38.000 0.016 0.000 1.227 495 I HN 0.426 nan 8.210 nan 0.000 0.434 496 E N 2.311 122.519 120.200 0.014 0.000 2.416 496 E HA 0.631 4.981 4.350 -0.000 0.000 0.273 496 E C -3.084 173.523 176.600 0.010 0.000 0.935 496 E CA -2.402 54.005 56.400 0.011 0.000 0.784 496 E CB 2.037 31.742 29.700 0.008 0.000 1.301 496 E HN 0.274 nan 8.360 nan 0.000 0.454 497 P HA 0.020 nan 4.420 nan 0.000 0.271 497 P C 0.692 177.998 177.300 0.010 0.000 1.216 497 P CA -0.371 62.735 63.100 0.010 0.000 0.776 497 P CB 0.699 32.405 31.700 0.010 0.000 0.881 498 L N 3.171 124.400 121.223 0.011 0.000 2.079 498 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 498 L C 2.278 179.154 176.870 0.010 0.000 1.081 498 L CA 1.781 56.627 54.840 0.011 0.000 0.752 498 L CB -0.257 41.809 42.059 0.011 0.000 0.896 498 L HN 0.472 nan 8.230 nan 0.000 0.433 499 R N -0.733 119.774 120.500 0.011 0.000 2.105 499 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 499 R C 2.126 178.432 176.300 0.009 0.000 1.135 499 R CA 1.731 57.837 56.100 0.011 0.000 0.967 499 R CB -0.180 30.127 30.300 0.012 0.000 0.861 499 R HN 0.288 nan 8.270 nan 0.000 0.442 500 V N 1.451 121.370 119.914 0.008 0.000 2.255 500 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 500 V C 2.387 178.483 176.094 0.003 0.000 1.051 500 V CA 1.828 64.131 62.300 0.005 0.000 1.018 500 V CB -0.389 31.436 31.823 0.004 0.000 0.641 500 V HN 0.300 nan 8.190 nan 0.000 0.445 501 K N -0.004 120.399 120.400 0.004 0.000 2.103 501 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 501 K C 2.154 178.760 176.600 0.009 0.000 1.052 501 K CA 1.155 57.444 56.287 0.004 0.000 0.945 501 K CB -0.268 32.236 32.500 0.006 0.000 0.722 501 K HN 0.481 nan 8.250 nan 0.000 0.443 502 K N 0.687 121.093 120.400 0.011 0.000 1.985 502 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 502 K C 2.279 178.888 176.600 0.015 0.000 1.047 502 K CA 1.384 57.679 56.287 0.013 0.000 0.932 502 K CB -0.112 32.394 32.500 0.010 0.000 0.716 502 K HN -0.044 nan 8.250 nan 0.000 0.439 503 Q N 1.009 120.817 119.800 0.012 0.000 2.084 503 Q HA -0.110 4.229 4.340 -0.000 0.000 0.202 503 Q C 1.877 177.884 176.000 0.013 0.000 0.978 503 Q CA 1.961 57.772 55.803 0.013 0.000 0.844 503 Q CB -0.382 28.362 28.738 0.011 0.000 0.898 503 Q HN 0.321 nan 8.270 nan 0.000 0.426 504 A N 0.433 123.257 122.820 0.007 0.000 1.917 504 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 504 A C 1.956 179.542 177.584 0.004 0.000 1.182 504 A CA 1.741 53.779 52.037 0.000 0.000 0.633 504 A CB -0.761 18.234 19.000 -0.009 0.000 0.819 504 A HN 0.474 nan 8.150 nan 0.000 0.448 505 I N -0.378 120.203 120.570 0.019 0.000 2.353 505 I HA -0.162 4.007 4.170 -0.000 0.000 0.248 505 I C 2.219 178.376 176.117 0.067 0.000 1.119 505 I CA 1.402 62.731 61.300 0.048 0.000 1.417 505 I CB -1.183 36.865 38.000 0.079 0.000 1.078 505 I HN 0.382 nan 8.210 nan 0.000 0.421 506 K N 0.616 121.044 120.400 0.047 0.000 2.025 506 K HA -0.089 4.230 4.320 -0.000 0.000 0.207 506 K C 2.322 178.948 176.600 0.044 0.000 1.049 506 K CA 1.603 57.917 56.287 0.045 0.000 0.933 506 K CB -0.116 32.402 32.500 0.030 0.000 0.714 506 K HN 0.134 nan 8.250 nan 0.000 0.438 507 S N 0.800 116.518 115.700 0.031 0.000 2.383 507 S HA -0.101 4.368 4.470 -0.000 0.000 0.227 507 S C 2.090 176.707 174.600 0.028 0.000 1.026 507 S CA 1.147 59.362 58.200 0.026 0.000 0.981 507 S CB -0.131 63.078 63.200 0.016 0.000 0.818 507 S HN 0.416 nan 8.310 nan 0.000 0.472 508 A N 1.287 124.118 122.820 0.019 0.000 1.898 508 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 508 A C 2.320 179.925 177.584 0.035 0.000 1.181 508 A CA 1.665 53.705 52.037 0.004 0.000 0.620 508 A CB -0.809 18.168 19.000 -0.039 0.000 0.819 508 A HN 0.427 nan 8.150 nan 0.000 0.442 509 S N 0.007 115.753 115.700 0.077 0.000 2.348 509 S HA -0.166 4.304 4.470 -0.000 0.000 0.221 509 S C 1.861 176.544 174.600 0.138 0.000 1.033 509 S CA 1.576 59.867 58.200 0.153 0.000 1.010 509 S CB -0.374 62.947 63.200 0.203 0.000 0.891 509 S HN 0.707 nan 8.310 nan 0.000 0.442 510 E N 1.370 121.629 120.200 0.097 0.000 2.110 510 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 510 E C 2.316 178.963 176.600 0.078 0.000 0.988 510 E CA 0.961 57.411 56.400 0.083 0.000 0.804 510 E CB -0.249 29.486 29.700 0.059 0.000 0.745 510 E HN 0.505 nan 8.360 nan 0.000 0.458 511 A N 1.676 124.536 122.820 0.066 0.000 1.898 511 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 511 A C 2.412 180.040 177.584 0.072 0.000 1.181 511 A CA 1.536 53.606 52.037 0.056 0.000 0.620 511 A CB -0.525 18.498 19.000 0.039 0.000 0.819 511 A HN 0.280 nan 8.150 nan 0.000 0.442 512 A N 0.035 122.912 122.820 0.095 0.000 1.873 512 A HA -0.061 4.258 4.320 -0.000 0.000 0.215 512 A C 2.123 179.805 177.584 0.164 0.000 1.186 512 A CA 1.474 53.591 52.037 0.133 0.000 0.616 512 A CB -0.615 18.486 19.000 0.169 0.000 0.823 512 A HN 0.475 nan 8.150 nan 0.000 0.442 513 I N -0.802 119.881 120.570 0.188 0.000 2.208 513 I HA -0.315 3.854 4.170 -0.000 0.000 0.245 513 I C 2.737 178.910 176.117 0.093 0.000 1.097 513 I CA 1.985 63.380 61.300 0.158 0.000 1.363 513 I CB -0.279 37.815 38.000 0.157 0.000 1.051 513 I HN 0.531 nan 8.210 nan 0.000 0.413 514 M N 0.983 120.631 119.600 0.080 0.000 2.065 514 M HA -0.249 4.231 4.480 -0.000 0.000 0.259 514 M C 2.337 178.666 176.300 0.050 0.000 1.069 514 M CA 2.107 57.441 55.300 0.057 0.000 1.110 514 M CB -0.137 32.493 32.600 0.049 0.000 1.328 514 M HN 0.094 nan 8.290 nan 0.000 0.405 515 I N 0.353 120.955 120.570 0.054 0.000 2.226 515 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 515 I C 2.124 178.263 176.117 0.037 0.000 1.100 515 I CA 0.727 62.054 61.300 0.045 0.000 1.374 515 I CB -0.523 37.505 38.000 0.047 0.000 1.057 515 I HN 0.372 nan 8.210 nan 0.000 0.413 516 L N 0.703 121.953 121.223 0.043 0.000 2.187 516 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 516 L C 2.381 179.254 176.870 0.005 0.000 1.100 516 L CA 1.712 56.563 54.840 0.017 0.000 0.765 516 L CB -1.151 40.911 42.059 0.005 0.000 0.904 516 L HN 0.291 nan 8.230 nan 0.000 0.437 517 R N -0.889 119.624 120.500 0.021 0.000 2.313 517 R HA 0.119 4.458 4.340 -0.000 0.000 0.199 517 R C 0.375 176.685 176.300 0.017 0.000 0.958 517 R CA -0.007 56.105 56.100 0.020 0.000 1.047 517 R CB 0.106 30.426 30.300 0.033 0.000 0.955 517 R HN 0.257 nan 8.270 nan 0.000 0.481 518 I N 2.761 123.341 120.570 0.017 0.000 2.337 518 I HA -0.020 4.149 4.170 -0.000 0.000 0.291 518 I C 0.482 176.608 176.117 0.015 0.000 1.046 518 I CA -0.021 61.291 61.300 0.020 0.000 1.324 518 I CB 0.985 39.001 38.000 0.027 0.000 1.409 518 I HN 0.069 nan 8.210 nan 0.000 0.494 519 D N 3.622 124.031 120.400 0.015 0.000 2.513 519 D HA 0.121 4.761 4.640 -0.000 0.000 0.222 519 D C -0.282 176.036 176.300 0.030 0.000 1.210 519 D CA -0.057 53.950 54.000 0.012 0.000 0.825 519 D CB 0.439 41.234 40.800 -0.007 0.000 1.037 519 D HN 0.310 nan 8.370 nan 0.000 0.506 520 D N 0.210 120.634 120.400 0.040 0.000 2.738 520 D HA 0.237 4.877 4.640 -0.000 0.000 0.218 520 D C -1.550 174.787 176.300 0.062 0.000 1.345 520 D CA -0.454 53.577 54.000 0.051 0.000 0.943 520 D CB 2.106 42.926 40.800 0.033 0.000 1.514 520 D HN -0.195 nan 8.370 nan 0.000 0.585 521 V N 5.177 125.152 119.914 0.102 0.000 2.378 521 V HA 0.519 4.639 4.120 -0.000 0.000 0.288 521 V C 0.250 176.421 176.094 0.128 0.000 1.016 521 V CA -0.560 61.805 62.300 0.107 0.000 0.840 521 V CB 1.491 33.385 31.823 0.117 0.000 0.994 521 V HN 0.478 nan 8.190 nan 0.000 0.431 522 I N 4.609 125.222 120.570 0.071 0.000 2.420 522 I HA 0.667 4.837 4.170 -0.000 0.000 0.282 522 I C 0.223 176.365 176.117 0.041 0.000 1.019 522 I CA -0.419 60.914 61.300 0.054 0.000 1.130 522 I CB 1.625 39.641 38.000 0.027 0.000 1.262 522 I HN 0.650 nan 8.210 nan 0.000 0.454 523 A N 5.280 128.133 122.820 0.055 0.000 2.287 523 A HA 0.857 5.176 4.320 -0.000 0.000 0.317 523 A C 0.318 177.916 177.584 0.023 0.000 1.220 523 A CA -0.418 51.638 52.037 0.032 0.000 0.835 523 A CB 0.971 19.993 19.000 0.037 0.000 1.180 523 A HN 0.771 nan 8.150 nan 0.000 0.500 524 A N 2.361 125.188 122.820 0.011 0.000 2.364 524 A HA 0.402 4.722 4.320 -0.000 0.000 0.258 524 A C 0.695 178.284 177.584 0.008 0.000 1.131 524 A CA 0.012 52.053 52.037 0.007 0.000 0.800 524 A CB 0.073 19.075 19.000 0.003 0.000 1.086 524 A HN 0.839 nan 8.150 nan 0.000 0.508 525 K N 0.105 120.508 120.400 0.006 0.000 2.276 525 K HA 0.457 4.777 4.320 -0.000 0.000 0.283 525 K C 0.554 177.157 176.600 0.005 0.000 1.044 525 K CA 0.074 56.365 56.287 0.007 0.000 0.944 525 K CB 0.611 33.114 32.500 0.004 0.000 1.012 525 K HN 0.815 nan 8.250 nan 0.000 0.472 526 A N 0.000 122.824 122.820 0.006 0.000 2.254 526 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 526 A CA 0.000 52.039 52.037 0.004 0.000 0.836 526 A CB 0.000 19.003 19.000 0.006 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486