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 1q3r_1_C DATA FIRST_RESID 9 DATA SEQUENCE VVILPEGTQR YVGRDAQRLN ILAARIIAET VRTTLGPKGM DKMLVDSLGD DATA SEQUENCE IVVTNDGATI 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 0.000 176.088 176.094 -0.010 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 -0.007 0.000 1.184 10 V N 5.176 125.085 119.914 -0.009 0.000 2.377 10 V HA 0.250 4.369 4.120 -0.000 0.000 0.254 10 V C 1.160 177.249 176.094 -0.009 0.000 1.060 10 V CA 0.636 62.930 62.300 -0.010 0.000 1.068 10 V CB -0.282 31.536 31.823 -0.009 0.000 1.113 10 V HN 0.840 nan 8.190 nan 0.000 0.484 11 I N 3.761 124.325 120.570 -0.011 0.000 2.947 11 I HA 0.161 4.331 4.170 -0.000 0.000 0.263 11 I C 0.712 176.823 176.117 -0.010 0.000 1.130 11 I CA 0.499 61.793 61.300 -0.010 0.000 1.448 11 I CB 0.287 38.281 38.000 -0.010 0.000 1.222 11 I HN 0.351 nan 8.210 nan 0.000 0.453 12 L N 1.818 123.033 121.223 -0.013 0.000 2.343 12 L HA 0.381 4.720 4.340 -0.000 0.000 0.275 12 L C -2.189 174.673 176.870 -0.013 0.000 1.056 12 L CA -1.902 52.930 54.840 -0.013 0.000 0.804 12 L CB 0.563 42.611 42.059 -0.018 0.000 1.203 12 L HN -0.144 nan 8.230 nan 0.000 0.440 13 P HA -0.011 nan 4.420 nan 0.000 0.265 13 P C -0.675 176.619 177.300 -0.011 0.000 1.193 13 P CA -0.275 62.820 63.100 -0.009 0.000 0.765 13 P CB 0.420 32.117 31.700 -0.006 0.000 0.823 14 E N 1.787 121.981 120.200 -0.010 0.000 2.415 14 E HA 0.303 4.653 4.350 -0.000 0.000 0.260 14 E C 1.245 177.840 176.600 -0.008 0.000 1.016 14 E CA 1.496 57.890 56.400 -0.011 0.000 0.924 14 E CB -0.635 29.060 29.700 -0.008 0.000 0.961 14 E HN 0.668 nan 8.360 nan 0.000 0.459 15 G N 3.186 111.980 108.800 -0.010 0.000 2.545 15 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.195 15 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.195 15 G C 0.418 175.315 174.900 -0.005 0.000 1.009 15 G CA -0.082 45.016 45.100 -0.005 0.000 0.703 15 G HN 0.625 nan 8.290 nan 0.000 0.479 16 T N 2.352 116.900 114.554 -0.010 0.000 2.916 16 T HA 0.500 4.849 4.350 -0.000 0.000 0.303 16 T C 0.268 174.954 174.700 -0.025 0.000 1.025 16 T CA 0.557 62.650 62.100 -0.011 0.000 1.142 16 T CB 1.037 69.897 68.868 -0.014 0.000 0.947 16 T HN 0.465 nan 8.240 nan 0.000 0.544 17 Q N 1.820 121.612 119.800 -0.012 0.000 2.301 17 Q HA 0.733 5.073 4.340 -0.000 0.000 0.267 17 Q C -0.262 175.685 176.000 -0.088 0.000 1.035 17 Q CA -0.940 54.834 55.803 -0.049 0.000 0.856 17 Q CB 2.267 31.048 28.738 0.071 0.000 1.337 17 Q HN 0.435 nan 8.270 nan 0.000 0.450 18 R N 1.227 121.526 120.500 -0.335 0.000 2.604 18 R HA 0.452 4.792 4.340 -0.000 0.000 0.270 18 R C -1.985 173.938 176.300 -0.628 0.000 1.052 18 R CA -0.493 55.446 56.100 -0.269 0.000 0.902 18 R CB 1.406 31.623 30.300 -0.138 0.000 1.233 18 R HN 0.673 nan 8.270 nan 0.000 0.455 19 Y N 2.352 122.655 120.300 0.005 0.000 2.421 19 Y HA 0.462 5.011 4.550 -0.000 0.000 0.339 19 Y C -0.167 175.736 175.900 0.007 0.000 0.996 19 Y CA -0.822 57.284 58.100 0.010 0.000 1.046 19 Y CB 2.250 40.723 38.460 0.021 0.000 1.226 19 Y HN 0.365 nan 8.280 nan 0.000 0.445 20 V N -0.282 119.696 119.914 0.108 0.000 3.046 20 V HA 1.050 5.170 4.120 -0.000 0.000 0.316 20 V C 0.540 176.669 176.094 0.058 0.000 1.104 20 V CA -0.261 62.079 62.300 0.066 0.000 1.006 20 V CB 1.199 33.038 31.823 0.026 0.000 1.058 20 V HN 1.255 nan 8.190 nan 0.000 0.440 21 G N 2.162 110.982 108.800 0.035 0.000 2.602 21 G HA2 -0.405 3.554 3.960 -0.000 0.000 0.306 21 G HA3 -0.405 3.554 3.960 -0.000 0.000 0.306 21 G C 0.912 175.826 174.900 0.022 0.000 1.301 21 G CA 1.461 46.571 45.100 0.017 0.000 0.974 21 G HN 1.490 nan 8.290 nan 0.000 0.547 22 R N 0.076 120.584 120.500 0.013 0.000 2.154 22 R HA -0.151 4.188 4.340 -0.000 0.000 0.248 22 R C 2.096 178.415 176.300 0.030 0.000 1.155 22 R CA 2.544 58.651 56.100 0.012 0.000 0.979 22 R CB -0.456 29.848 30.300 0.007 0.000 0.869 22 R HN 0.631 nan 8.270 nan 0.000 0.452 23 D N 0.020 120.457 120.400 0.061 0.000 2.123 23 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 23 D C 1.765 178.125 176.300 0.100 0.000 0.976 23 D CA 1.436 55.497 54.000 0.102 0.000 0.831 23 D CB -0.263 40.642 40.800 0.175 0.000 0.974 23 D HN 0.410 nan 8.370 nan 0.000 0.469 24 A N 1.079 123.969 122.820 0.116 0.000 1.933 24 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 24 A C 2.140 179.743 177.584 0.032 0.000 1.175 24 A CA 1.343 53.437 52.037 0.095 0.000 0.628 24 A CB -0.490 18.569 19.000 0.098 0.000 0.814 24 A HN 0.225 nan 8.150 nan 0.000 0.444 25 Q N -1.014 118.797 119.800 0.019 0.000 2.049 25 Q HA -0.139 4.201 4.340 -0.000 0.000 0.198 25 Q C 2.385 178.375 176.000 -0.016 0.000 0.971 25 Q CA 1.336 57.138 55.803 -0.003 0.000 0.833 25 Q CB -0.257 28.473 28.738 -0.013 0.000 0.896 25 Q HN 0.715 nan 8.270 nan 0.000 0.434 26 R N 1.064 121.555 120.500 -0.015 0.000 2.083 26 R HA -0.155 4.185 4.340 -0.000 0.000 0.237 26 R C 2.246 178.510 176.300 -0.061 0.000 1.137 26 R CA 1.175 57.257 56.100 -0.029 0.000 0.951 26 R CB -0.237 30.055 30.300 -0.015 0.000 0.851 26 R HN 0.205 nan 8.270 nan 0.000 0.434 27 L N 0.412 121.590 121.223 -0.075 0.000 1.976 27 L HA -0.208 4.131 4.340 -0.000 0.000 0.209 27 L C 2.193 178.964 176.870 -0.165 0.000 1.071 27 L CA 2.137 56.892 54.840 -0.142 0.000 0.746 27 L CB -0.904 41.039 42.059 -0.195 0.000 0.890 27 L HN 0.418 nan 8.230 nan 0.000 0.432 28 N N 0.086 118.756 118.700 -0.049 0.000 2.061 28 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 28 N C 1.927 177.401 175.510 -0.060 0.000 1.030 28 N CA 1.177 54.231 53.050 0.008 0.000 0.856 28 N CB -0.080 38.441 38.487 0.055 0.000 1.023 28 N HN 0.264 nan 8.380 nan 0.000 0.424 29 I N 0.397 120.935 120.570 -0.054 0.000 2.179 29 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 29 I C 2.202 178.269 176.117 -0.082 0.000 1.088 29 I CA 0.656 61.926 61.300 -0.049 0.000 1.357 29 I CB -0.159 37.822 38.000 -0.032 0.000 1.051 29 I HN 0.178 nan 8.210 nan 0.000 0.409 30 L N 1.244 122.400 121.223 -0.112 0.000 2.042 30 L HA -0.184 4.155 4.340 -0.000 0.000 0.210 30 L C 2.616 179.385 176.870 -0.169 0.000 1.076 30 L CA 2.163 56.928 54.840 -0.126 0.000 0.749 30 L CB -0.857 41.124 42.059 -0.129 0.000 0.893 30 L HN 0.206 nan 8.230 nan 0.000 0.432 31 A N -0.707 121.942 122.820 -0.286 0.000 1.908 31 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 31 A C 2.444 179.935 177.584 -0.155 0.000 1.181 31 A CA 2.095 53.934 52.037 -0.330 0.000 0.627 31 A CB -1.170 17.403 19.000 -0.712 0.000 0.818 31 A HN 0.562 nan 8.150 nan 0.000 0.445 32 A N -0.493 122.261 122.820 -0.109 0.000 1.898 32 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 32 A C 2.260 179.812 177.584 -0.053 0.000 1.181 32 A CA 1.358 53.363 52.037 -0.054 0.000 0.620 32 A CB -0.465 18.517 19.000 -0.030 0.000 0.819 32 A HN 0.507 nan 8.150 nan 0.000 0.442 33 R N -0.479 119.984 120.500 -0.061 0.000 2.081 33 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 33 R C 2.012 178.280 176.300 -0.053 0.000 1.131 33 R CA 1.624 57.692 56.100 -0.053 0.000 0.960 33 R CB -0.609 29.660 30.300 -0.052 0.000 0.856 33 R HN 0.595 nan 8.270 nan 0.000 0.436 34 I N 0.677 121.208 120.570 -0.065 0.000 2.315 34 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 34 I C 2.279 178.369 176.117 -0.046 0.000 1.117 34 I CA 0.828 62.094 61.300 -0.057 0.000 1.404 34 I CB -0.189 37.770 38.000 -0.069 0.000 1.071 34 I HN 0.095 nan 8.210 nan 0.000 0.419 35 I N 1.048 121.591 120.570 -0.045 0.000 2.252 35 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 35 I C 2.846 178.945 176.117 -0.030 0.000 1.102 35 I CA 1.624 62.905 61.300 -0.032 0.000 1.385 35 I CB -1.311 36.675 38.000 -0.024 0.000 1.064 35 I HN 0.162 nan 8.210 nan 0.000 0.414 36 A N 0.415 123.215 122.820 -0.034 0.000 1.902 36 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 36 A C 2.183 179.746 177.584 -0.036 0.000 1.181 36 A CA 1.503 53.518 52.037 -0.036 0.000 0.623 36 A CB -0.659 18.317 19.000 -0.040 0.000 0.818 36 A HN 0.471 nan 8.150 nan 0.000 0.443 37 E N -0.902 119.276 120.200 -0.037 0.000 2.265 37 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 37 E C 1.859 178.439 176.600 -0.032 0.000 0.996 37 E CA 1.392 57.771 56.400 -0.036 0.000 0.832 37 E CB -0.206 29.472 29.700 -0.036 0.000 0.756 37 E HN 0.611 nan 8.360 nan 0.000 0.491 38 T N 0.271 114.807 114.554 -0.030 0.000 2.851 38 T HA -0.095 4.254 4.350 -0.000 0.000 0.262 38 T C 2.099 176.784 174.700 -0.025 0.000 1.043 38 T CA 1.331 63.416 62.100 -0.026 0.000 1.140 38 T CB 0.071 68.925 68.868 -0.023 0.000 0.872 38 T HN 0.203 nan 8.240 nan 0.000 0.446 39 V N 1.617 121.516 119.914 -0.026 0.000 3.174 39 V HA 0.106 4.226 4.120 -0.000 0.000 0.254 39 V C 2.328 178.405 176.094 -0.029 0.000 1.120 39 V CA 0.808 63.093 62.300 -0.025 0.000 1.114 39 V CB -0.776 31.034 31.823 -0.023 0.000 0.756 39 V HN 0.432 nan 8.190 nan 0.000 0.467 40 R N 2.697 123.177 120.500 -0.033 0.000 2.127 40 R HA -0.153 4.186 4.340 -0.000 0.000 0.238 40 R C 2.023 178.301 176.300 -0.037 0.000 1.134 40 R CA 2.110 58.187 56.100 -0.037 0.000 0.975 40 R CB -2.018 28.258 30.300 -0.041 0.000 0.865 40 R HN 0.626 nan 8.270 nan 0.000 0.447 41 T N -3.291 111.243 114.554 -0.033 0.000 3.077 41 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 41 T C 1.696 176.376 174.700 -0.032 0.000 1.146 41 T CA 1.496 63.577 62.100 -0.033 0.000 1.091 41 T CB -0.123 68.729 68.868 -0.028 0.000 0.892 41 T HN 0.320 nan 8.240 nan 0.000 0.533 42 T N 0.387 114.923 114.554 -0.031 0.000 3.044 42 T HA 0.323 4.672 4.350 -0.000 0.000 0.255 42 T C 0.546 175.226 174.700 -0.034 0.000 1.073 42 T CA -0.505 61.578 62.100 -0.029 0.000 1.125 42 T CB -0.390 68.464 68.868 -0.024 0.000 0.908 42 T HN 0.375 nan 8.240 nan 0.000 0.480 43 L N 2.017 123.216 121.223 -0.039 0.000 2.514 43 L HA 0.454 4.793 4.340 -0.000 0.000 0.280 43 L C 0.677 177.512 176.870 -0.059 0.000 1.223 43 L CA 1.446 56.259 54.840 -0.045 0.000 0.864 43 L CB -0.289 41.742 42.059 -0.047 0.000 1.118 43 L HN 0.455 nan 8.230 nan 0.000 0.494 44 G N 3.549 112.311 108.800 -0.063 0.000 2.758 44 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 44 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 44 G C -1.875 172.960 174.900 -0.109 0.000 1.389 44 G CA -0.357 44.688 45.100 -0.092 0.000 0.845 44 G HN 0.623 nan 8.290 nan 0.000 0.572 45 P HA -0.066 nan 4.420 nan 0.000 0.223 45 P C 0.955 178.140 177.300 -0.192 0.000 1.144 45 P CA 1.448 64.425 63.100 -0.205 0.000 0.783 45 P CB 0.106 31.511 31.700 -0.492 0.000 0.771 46 K N -0.313 119.965 120.400 -0.204 0.000 2.537 46 K HA 0.253 4.573 4.320 -0.000 0.000 0.206 46 K C 0.940 177.500 176.600 -0.067 0.000 1.041 46 K CA -0.288 55.930 56.287 -0.116 0.000 1.090 46 K CB 0.751 33.169 32.500 -0.138 0.000 0.833 46 K HN 0.044 nan 8.250 nan 0.000 0.493 47 G N 0.984 109.747 108.800 -0.062 0.000 2.476 47 G HA2 0.293 4.253 3.960 -0.000 0.000 0.269 47 G HA3 0.293 4.253 3.960 -0.000 0.000 0.269 47 G C 0.023 174.907 174.900 -0.026 0.000 1.195 47 G CA -0.411 44.662 45.100 -0.044 0.000 0.843 47 G HN -0.068 nan 8.290 nan 0.000 0.545 48 M N 0.358 119.945 119.600 -0.022 0.000 2.679 48 M HA 0.426 4.905 4.480 -0.000 0.000 0.287 48 M C -0.420 175.871 176.300 -0.015 0.000 1.202 48 M CA -0.834 54.457 55.300 -0.015 0.000 0.911 48 M CB 1.319 33.910 32.600 -0.015 0.000 1.556 48 M HN 0.354 nan 8.290 nan 0.000 0.511 49 D N 0.459 120.851 120.400 -0.013 0.000 2.326 49 D HA 0.488 5.127 4.640 -0.000 0.000 0.251 49 D C -0.597 175.693 176.300 -0.018 0.000 1.023 49 D CA -0.360 53.631 54.000 -0.014 0.000 0.966 49 D CB 1.173 41.966 40.800 -0.012 0.000 1.156 49 D HN 0.237 nan 8.370 nan 0.000 0.494 50 K N 0.444 120.833 120.400 -0.017 0.000 2.207 50 K HA 0.479 4.798 4.320 -0.000 0.000 0.255 50 K C -0.481 176.105 176.600 -0.023 0.000 0.941 50 K CA -0.738 55.537 56.287 -0.019 0.000 0.825 50 K CB 2.522 35.012 32.500 -0.016 0.000 1.119 50 K HN 0.331 nan 8.250 nan 0.000 0.430 51 M N 4.901 124.484 119.600 -0.028 0.000 2.101 51 M HA 0.344 4.823 4.480 -0.000 0.000 0.340 51 M C -1.724 174.560 176.300 -0.026 0.000 1.057 51 M CA -0.567 54.710 55.300 -0.038 0.000 0.984 51 M CB 0.437 33.007 32.600 -0.051 0.000 1.560 51 M HN 0.493 nan 8.290 nan 0.000 0.435 52 L N 6.088 127.300 121.223 -0.019 0.000 2.333 52 L HA 0.670 5.010 4.340 -0.000 0.000 0.280 52 L C -1.113 175.755 176.870 -0.002 0.000 1.004 52 L CA -1.061 53.774 54.840 -0.008 0.000 0.820 52 L CB 1.881 43.940 42.059 -0.001 0.000 1.247 52 L HN 0.437 nan 8.230 nan 0.000 0.416 53 V N 1.622 121.535 119.914 -0.002 0.000 2.378 53 V HA 0.227 4.346 4.120 -0.000 0.000 0.288 53 V C -0.312 175.786 176.094 0.007 0.000 1.016 53 V CA -0.845 61.458 62.300 0.005 0.000 0.840 53 V CB 1.512 33.334 31.823 -0.000 0.000 0.994 53 V HN 0.818 nan 8.190 nan 0.000 0.431 54 D N 3.507 123.914 120.400 0.012 0.000 2.398 54 D HA 0.099 4.739 4.640 -0.000 0.000 0.264 54 D C 1.552 177.858 176.300 0.009 0.000 1.263 54 D CA 0.170 54.175 54.000 0.010 0.000 1.037 54 D CB 0.309 41.116 40.800 0.011 0.000 1.101 54 D HN 0.431 nan 8.370 nan 0.000 0.551 55 S N -1.105 114.599 115.700 0.008 0.000 2.419 55 S HA -0.128 4.341 4.470 -0.000 0.000 0.233 55 S C 1.819 176.424 174.600 0.008 0.000 1.016 55 S CA 0.573 58.777 58.200 0.007 0.000 0.974 55 S CB -0.771 62.433 63.200 0.006 0.000 0.786 55 S HN 0.505 nan 8.310 nan 0.000 0.492 56 L N 0.887 122.115 121.223 0.009 0.000 2.591 56 L HA 0.352 4.692 4.340 -0.000 0.000 0.228 56 L C 1.888 178.766 176.870 0.013 0.000 1.133 56 L CA 0.324 55.170 54.840 0.010 0.000 0.880 56 L CB -0.821 41.244 42.059 0.010 0.000 1.033 56 L HN 0.582 nan 8.230 nan 0.000 0.450 57 G N 0.447 109.255 108.800 0.014 0.000 2.176 57 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.253 57 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.253 57 G C 0.069 174.986 174.900 0.028 0.000 0.979 57 G CA 0.290 45.401 45.100 0.018 0.000 0.641 57 G HN 0.469 nan 8.290 nan 0.000 0.530 58 D N 0.423 120.841 120.400 0.030 0.000 2.424 58 D HA 0.407 5.047 4.640 -0.000 0.000 0.244 58 D C 0.733 177.067 176.300 0.058 0.000 1.134 58 D CA 0.064 54.090 54.000 0.044 0.000 0.881 58 D CB 0.229 41.048 40.800 0.032 0.000 1.191 58 D HN 0.346 nan 8.370 nan 0.000 0.445 59 I N 3.641 124.276 120.570 0.108 0.000 2.354 59 I HA 0.284 4.454 4.170 -0.000 0.000 0.292 59 I C -0.649 175.562 176.117 0.158 0.000 0.989 59 I CA -1.057 60.303 61.300 0.101 0.000 1.188 59 I CB 1.847 39.873 38.000 0.044 0.000 1.342 59 I HN 0.143 nan 8.210 nan 0.000 0.457 60 V N 7.255 127.209 119.914 0.066 0.000 2.409 60 V HA 0.323 4.443 4.120 -0.000 0.000 0.290 60 V C -0.192 175.914 176.094 0.021 0.000 1.017 60 V CA -0.653 61.690 62.300 0.071 0.000 0.841 60 V CB 1.895 33.744 31.823 0.044 0.000 1.003 60 V HN 0.387 nan 8.190 nan 0.000 0.426 61 V N 4.482 124.411 119.914 0.025 0.000 2.347 61 V HA 0.779 4.899 4.120 -0.000 0.000 0.280 61 V C 0.160 176.262 176.094 0.012 0.000 1.021 61 V CA 0.093 62.385 62.300 -0.014 0.000 0.847 61 V CB 1.554 33.341 31.823 -0.060 0.000 0.990 61 V HN 0.979 nan 8.190 nan 0.000 0.444 62 T N 2.835 117.389 114.554 0.000 0.000 2.786 62 T HA 0.255 4.605 4.350 -0.000 0.000 0.316 62 T C 0.163 174.859 174.700 -0.006 0.000 1.503 62 T CA -0.434 61.666 62.100 0.000 0.000 1.019 62 T CB 1.928 70.797 68.868 0.002 0.000 1.415 62 T HN 0.613 nan 8.240 nan 0.000 0.496 63 N N 1.031 119.727 118.700 -0.007 0.000 2.220 63 N HA 0.047 4.787 4.740 -0.000 0.000 0.195 63 N C -0.283 175.219 175.510 -0.012 0.000 1.123 63 N CA -0.049 52.995 53.050 -0.010 0.000 0.874 63 N CB 0.337 38.819 38.487 -0.008 0.000 0.995 63 N HN 0.645 nan 8.380 nan 0.000 0.498 64 D N 0.160 120.553 120.400 -0.012 0.000 2.401 64 D HA 0.118 4.758 4.640 -0.000 0.000 0.254 64 D C 1.385 177.678 176.300 -0.012 0.000 1.192 64 D CA 0.185 54.178 54.000 -0.012 0.000 0.885 64 D CB 1.150 41.942 40.800 -0.014 0.000 1.147 64 D HN 0.283 nan 8.370 nan 0.000 0.478 65 G N 3.381 112.173 108.800 -0.013 0.000 2.446 65 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 65 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 65 G C 1.400 176.294 174.900 -0.009 0.000 1.168 65 G CA 1.009 46.101 45.100 -0.013 0.000 0.771 65 G HN 0.633 nan 8.290 nan 0.000 0.551 66 A N 0.306 123.121 122.820 -0.008 0.000 1.858 66 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 66 A C 2.538 180.120 177.584 -0.003 0.000 1.190 66 A CA 2.546 54.580 52.037 -0.005 0.000 0.617 66 A CB -1.138 17.860 19.000 -0.003 0.000 0.827 66 A HN 0.296 nan 8.150 nan 0.000 0.443 67 T N 0.582 115.133 114.554 -0.005 0.000 2.665 67 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 67 T C 1.791 176.490 174.700 -0.002 0.000 1.035 67 T CA 1.718 63.816 62.100 -0.003 0.000 1.151 67 T CB -0.533 68.332 68.868 -0.005 0.000 0.862 67 T HN 0.426 nan 8.240 nan 0.000 0.438 68 I N 0.459 121.026 120.570 -0.004 0.000 2.076 68 I HA -0.179 3.991 4.170 -0.000 0.000 0.237 68 I C 2.235 178.350 176.117 -0.003 0.000 1.059 68 I CA 1.080 62.377 61.300 -0.004 0.000 1.317 68 I CB -0.442 37.554 38.000 -0.008 0.000 1.037 68 I HN 0.147 nan 8.210 nan 0.000 0.398 69 L N 0.634 121.855 121.223 -0.003 0.000 2.127 69 L HA -0.271 4.069 4.340 -0.000 0.000 0.211 69 L C 2.086 178.957 176.870 0.002 0.000 1.089 69 L CA 1.969 56.809 54.840 -0.001 0.000 0.757 69 L CB -1.118 40.940 42.059 -0.002 0.000 0.899 69 L HN 0.343 nan 8.230 nan 0.000 0.434 70 D N -1.081 119.321 120.400 0.002 0.000 2.091 70 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 70 D C 2.073 178.375 176.300 0.004 0.000 0.980 70 D CA 1.073 55.075 54.000 0.003 0.000 0.831 70 D CB 0.222 41.024 40.800 0.003 0.000 0.987 70 D HN -0.005 nan 8.370 nan 0.000 0.460 71 K N 0.407 120.810 120.400 0.004 0.000 2.097 71 K HA -0.004 4.315 4.320 -0.000 0.000 0.205 71 K C 1.119 177.722 176.600 0.005 0.000 1.050 71 K CA 0.055 56.346 56.287 0.006 0.000 0.938 71 K CB -0.548 31.956 32.500 0.007 0.000 0.718 71 K HN 0.372 nan 8.250 nan 0.000 0.442 72 I N 2.691 123.263 120.570 0.003 0.000 2.648 72 I HA -0.091 4.079 4.170 -0.000 0.000 0.284 72 I C -0.417 175.703 176.117 0.005 0.000 1.153 72 I CA 0.029 61.331 61.300 0.003 0.000 1.426 72 I CB 0.482 38.482 38.000 0.001 0.000 1.381 72 I HN 0.007 nan 8.210 nan 0.000 0.571 73 D N 7.935 128.339 120.400 0.006 0.000 2.483 73 D HA 0.273 4.912 4.640 -0.000 0.000 0.220 73 D C -0.361 175.945 176.300 0.010 0.000 1.173 73 D CA -0.261 53.744 54.000 0.007 0.000 0.964 73 D CB 0.202 41.006 40.800 0.007 0.000 1.046 73 D HN 0.399 nan 8.370 nan 0.000 0.517 74 L N 2.570 123.801 121.223 0.012 0.000 2.436 74 L HA 0.195 4.534 4.340 -0.000 0.000 0.265 74 L C 1.485 178.368 176.870 0.022 0.000 1.168 74 L CA -0.562 54.289 54.840 0.019 0.000 0.815 74 L CB 0.997 43.069 42.059 0.022 0.000 1.109 74 L HN 0.402 nan 8.230 nan 0.000 0.462 75 Q N 0.076 119.897 119.800 0.035 0.000 2.596 75 Q HA 0.056 4.396 4.340 -0.000 0.000 0.190 75 Q C 0.227 176.248 176.000 0.036 0.000 0.905 75 Q CA 0.130 55.951 55.803 0.030 0.000 0.846 75 Q CB -0.262 28.495 28.738 0.033 0.000 1.117 75 Q HN 0.596 nan 8.270 nan 0.000 0.630 76 H N 4.720 123.777 119.070 -0.021 0.000 3.195 76 H HA -0.073 4.483 4.556 -0.000 0.000 0.302 76 H C -1.347 173.965 175.328 -0.026 0.000 0.950 76 H CA -0.280 55.749 56.048 -0.032 0.000 1.398 76 H CB 0.858 30.590 29.762 -0.048 0.000 1.377 76 H HN 0.038 nan 8.280 nan 0.000 0.572 77 P HA -0.275 nan 4.420 nan 0.000 0.216 77 P C 1.096 178.429 177.300 0.054 0.000 1.153 77 P CA 2.043 65.080 63.100 -0.104 0.000 0.858 77 P CB -0.032 31.559 31.700 -0.181 0.000 0.789 78 A N 0.682 123.650 122.820 0.246 0.000 1.908 78 A HA -0.102 4.217 4.320 -0.000 0.000 0.218 78 A C 2.550 180.218 177.584 0.140 0.000 1.181 78 A CA 2.385 54.554 52.037 0.219 0.000 0.627 78 A CB -1.565 17.584 19.000 0.249 0.000 0.818 78 A HN 0.259 nan 8.150 nan 0.000 0.445 79 A N -0.383 122.542 122.820 0.175 0.000 1.972 79 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 79 A C 2.097 179.711 177.584 0.050 0.000 1.169 79 A CA 1.722 53.801 52.037 0.071 0.000 0.635 79 A CB -0.377 18.662 19.000 0.066 0.000 0.810 79 A HN 0.555 nan 8.150 nan 0.000 0.446 80 K N -0.772 119.661 120.400 0.055 0.000 2.097 80 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 80 K C 2.026 178.640 176.600 0.024 0.000 1.050 80 K CA 1.502 57.806 56.287 0.029 0.000 0.938 80 K CB -0.279 32.232 32.500 0.018 0.000 0.718 80 K HN 0.519 nan 8.250 nan 0.000 0.442 81 M N -0.165 119.453 119.600 0.030 0.000 2.159 81 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 81 M C 2.226 178.538 176.300 0.021 0.000 1.063 81 M CA 1.342 56.657 55.300 0.025 0.000 1.110 81 M CB -0.301 32.317 32.600 0.030 0.000 1.374 81 M HN 0.106 nan 8.290 nan 0.000 0.411 82 M N 0.225 119.836 119.600 0.020 0.000 2.213 82 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 82 M C 1.950 178.254 176.300 0.007 0.000 1.062 82 M CA 1.375 56.681 55.300 0.010 0.000 1.105 82 M CB -0.406 32.196 32.600 0.004 0.000 1.385 82 M HN 0.031 nan 8.290 nan 0.000 0.417 83 V N -0.471 119.449 119.914 0.009 0.000 2.392 83 V HA -0.256 3.863 4.120 -0.000 0.000 0.249 83 V C 2.401 178.499 176.094 0.007 0.000 1.059 83 V CA 1.693 63.997 62.300 0.007 0.000 1.051 83 V CB -0.926 30.902 31.823 0.009 0.000 0.658 83 V HN 0.409 nan 8.190 nan 0.000 0.455 84 E N 0.285 120.491 120.200 0.010 0.000 2.110 84 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 84 E C 2.271 178.878 176.600 0.010 0.000 0.988 84 E CA 1.186 57.592 56.400 0.011 0.000 0.804 84 E CB -0.382 29.326 29.700 0.014 0.000 0.745 84 E HN 0.494 nan 8.360 nan 0.000 0.458 85 V N 1.281 121.200 119.914 0.009 0.000 2.255 85 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 85 V C 2.478 178.575 176.094 0.003 0.000 1.051 85 V CA 2.080 64.385 62.300 0.007 0.000 1.018 85 V CB -0.966 30.860 31.823 0.004 0.000 0.641 85 V HN 0.291 nan 8.190 nan 0.000 0.445 86 A N -0.546 122.275 122.820 0.001 0.000 1.933 86 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 86 A C 2.364 179.949 177.584 0.002 0.000 1.175 86 A CA 2.076 54.112 52.037 -0.001 0.000 0.628 86 A CB -0.472 18.526 19.000 -0.004 0.000 0.814 86 A HN 0.535 nan 8.150 nan 0.000 0.444 87 K N -0.879 119.523 120.400 0.004 0.000 2.057 87 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 87 K C 1.906 178.510 176.600 0.007 0.000 1.050 87 K CA 1.787 58.077 56.287 0.006 0.000 0.935 87 K CB -0.274 32.230 32.500 0.007 0.000 0.715 87 K HN 0.418 nan 8.250 nan 0.000 0.439 88 T N 0.864 115.423 114.554 0.008 0.000 2.857 88 T HA -0.146 4.203 4.350 -0.000 0.000 0.266 88 T C 1.706 176.412 174.700 0.009 0.000 1.048 88 T CA 1.390 63.496 62.100 0.010 0.000 1.139 88 T CB -0.148 68.727 68.868 0.012 0.000 0.874 88 T HN 0.309 nan 8.240 nan 0.000 0.455 89 Q N 1.786 121.590 119.800 0.007 0.000 2.061 89 Q HA -0.155 4.184 4.340 -0.000 0.000 0.204 89 Q C 1.836 177.840 176.000 0.006 0.000 0.984 89 Q CA 2.240 58.047 55.803 0.006 0.000 0.846 89 Q CB -0.683 28.055 28.738 0.001 0.000 0.902 89 Q HN 0.579 nan 8.270 nan 0.000 0.421 90 D N -0.755 119.648 120.400 0.006 0.000 2.123 90 D HA -0.162 4.477 4.640 -0.000 0.000 0.196 90 D C 1.498 177.805 176.300 0.011 0.000 0.992 90 D CA 1.390 55.394 54.000 0.007 0.000 0.833 90 D CB 0.084 40.886 40.800 0.005 0.000 0.954 90 D HN 0.266 nan 8.370 nan 0.000 0.455 91 K N -0.584 119.823 120.400 0.012 0.000 2.155 91 K HA -0.082 4.238 4.320 -0.000 0.000 0.203 91 K C 1.862 178.471 176.600 0.016 0.000 1.052 91 K CA 0.856 57.151 56.287 0.015 0.000 0.948 91 K CB 0.116 32.624 32.500 0.014 0.000 0.728 91 K HN 0.080 nan 8.250 nan 0.000 0.448 92 E N 0.004 120.213 120.200 0.014 0.000 2.102 92 E HA 0.050 4.400 4.350 -0.000 0.000 0.190 92 E C 1.073 177.682 176.600 0.015 0.000 0.971 92 E CA 0.958 57.367 56.400 0.015 0.000 0.821 92 E CB 0.376 30.084 29.700 0.014 0.000 0.777 92 E HN 0.224 nan 8.360 nan 0.000 0.460 93 A N -1.468 121.360 122.820 0.013 0.000 2.551 93 A HA 0.612 4.932 4.320 -0.000 0.000 0.252 93 A C 1.447 179.039 177.584 0.013 0.000 1.199 93 A CA 0.771 52.816 52.037 0.013 0.000 0.972 93 A CB 0.177 19.183 19.000 0.011 0.000 1.153 93 A HN 0.339 nan 8.150 nan 0.000 0.559 94 G N 0.305 109.113 108.800 0.013 0.000 4.886 94 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.305 94 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.305 94 G C 0.061 174.965 174.900 0.006 0.000 1.483 94 G CA 0.411 45.518 45.100 0.012 0.000 1.029 94 G HN 0.462 nan 8.290 nan 0.000 0.746 95 D N 1.707 122.110 120.400 0.005 0.000 2.398 95 D HA 0.485 5.124 4.640 -0.000 0.000 0.247 95 D C 1.424 177.723 176.300 -0.002 0.000 1.227 95 D CA 1.572 55.573 54.000 0.001 0.000 0.980 95 D CB 0.381 41.182 40.800 0.002 0.000 1.106 95 D HN 1.800 nan 8.370 nan 0.000 0.493 96 G N -0.823 107.973 108.800 -0.007 0.000 2.157 96 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.248 96 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.248 96 G C 1.116 176.008 174.900 -0.013 0.000 0.979 96 G CA 1.179 46.272 45.100 -0.011 0.000 0.650 96 G HN 0.576 nan 8.290 nan 0.000 0.529 97 T N -2.362 112.186 114.554 -0.011 0.000 2.708 97 T HA -0.088 4.261 4.350 -0.000 0.000 0.266 97 T C 2.225 176.915 174.700 -0.017 0.000 1.037 97 T CA 2.531 64.625 62.100 -0.011 0.000 1.146 97 T CB -0.676 68.187 68.868 -0.008 0.000 0.865 97 T HN 0.326 nan 8.240 nan 0.000 0.435 98 T N 1.813 116.355 114.554 -0.020 0.000 2.867 98 T HA -0.056 4.293 4.350 -0.000 0.000 0.268 98 T C 2.218 176.899 174.700 -0.032 0.000 1.057 98 T CA 1.630 63.715 62.100 -0.025 0.000 1.136 98 T CB -0.844 68.008 68.868 -0.027 0.000 0.874 98 T HN 0.511 nan 8.240 nan 0.000 0.466 99 T N 2.091 116.625 114.554 -0.032 0.000 2.708 99 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 99 T C 2.429 177.102 174.700 -0.044 0.000 1.037 99 T CA 1.232 63.308 62.100 -0.040 0.000 1.146 99 T CB -0.521 68.325 68.868 -0.036 0.000 0.865 99 T HN 0.445 nan 8.240 nan 0.000 0.435 100 A N 0.811 123.611 122.820 -0.034 0.000 1.898 100 A HA -0.013 4.306 4.320 -0.000 0.000 0.216 100 A C 2.590 180.152 177.584 -0.037 0.000 1.181 100 A CA 1.195 53.212 52.037 -0.034 0.000 0.620 100 A CB -0.948 18.041 19.000 -0.019 0.000 0.819 100 A HN 0.347 nan 8.150 nan 0.000 0.442 101 V N -0.459 119.436 119.914 -0.031 0.000 2.358 101 V HA -0.214 3.905 4.120 -0.000 0.000 0.246 101 V C 2.580 178.649 176.094 -0.041 0.000 1.047 101 V CA 1.929 64.212 62.300 -0.029 0.000 1.035 101 V CB -0.661 31.149 31.823 -0.023 0.000 0.658 101 V HN 0.365 nan 8.190 nan 0.000 0.452 102 V N -0.162 119.723 119.914 -0.047 0.000 2.295 102 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 102 V C 2.173 178.221 176.094 -0.077 0.000 1.049 102 V CA 2.266 64.532 62.300 -0.057 0.000 1.024 102 V CB -0.436 31.353 31.823 -0.056 0.000 0.648 102 V HN 0.444 nan 8.190 nan 0.000 0.447 103 I N 0.210 120.725 120.570 -0.091 0.000 2.226 103 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 103 I C 2.638 178.669 176.117 -0.143 0.000 1.100 103 I CA 1.379 62.596 61.300 -0.138 0.000 1.374 103 I CB -0.559 37.350 38.000 -0.153 0.000 1.057 103 I HN 0.299 nan 8.210 nan 0.000 0.413 104 A N 0.932 123.696 122.820 -0.094 0.000 1.902 104 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 104 A C 2.427 179.980 177.584 -0.050 0.000 1.181 104 A CA 1.934 53.932 52.037 -0.064 0.000 0.623 104 A CB -1.390 17.592 19.000 -0.030 0.000 0.818 104 A HN 0.460 nan 8.150 nan 0.000 0.443 105 G N -0.548 108.221 108.800 -0.052 0.000 2.433 105 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 105 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 105 G C 1.469 176.341 174.900 -0.047 0.000 1.186 105 G CA 1.295 46.369 45.100 -0.043 0.000 0.779 105 G HN 0.564 nan 8.290 nan 0.000 0.543 106 E N 0.220 120.377 120.200 -0.071 0.000 2.110 106 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 106 E C 2.544 179.098 176.600 -0.076 0.000 0.988 106 E CA 0.581 56.935 56.400 -0.077 0.000 0.804 106 E CB -0.350 29.286 29.700 -0.106 0.000 0.745 106 E HN 0.452 nan 8.360 nan 0.000 0.458 107 L N -0.122 121.029 121.223 -0.119 0.000 2.012 107 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 107 L C 2.474 179.414 176.870 0.117 0.000 1.073 107 L CA 1.162 55.941 54.840 -0.100 0.000 0.748 107 L CB -0.462 41.479 42.059 -0.197 0.000 0.891 107 L HN 0.252 nan 8.230 nan 0.000 0.431 108 L N -0.853 120.416 121.223 0.078 0.000 2.046 108 L HA -0.235 4.104 4.340 -0.000 0.000 0.208 108 L C 2.859 179.759 176.870 0.050 0.000 1.077 108 L CA 1.164 56.052 54.840 0.080 0.000 0.747 108 L CB -0.538 41.542 42.059 0.035 0.000 0.896 108 L HN 0.251 nan 8.230 nan 0.000 0.432 109 R N 0.323 120.836 120.500 0.020 0.000 2.083 109 R HA -0.177 4.162 4.340 -0.000 0.000 0.237 109 R C 2.229 178.545 176.300 0.028 0.000 1.137 109 R CA 1.368 57.473 56.100 0.008 0.000 0.951 109 R CB 0.042 30.335 30.300 -0.011 0.000 0.851 109 R HN 0.192 nan 8.270 nan 0.000 0.434 110 K N -0.162 120.269 120.400 0.052 0.000 2.217 110 K HA -0.025 4.295 4.320 -0.000 0.000 0.202 110 K C 1.800 178.468 176.600 0.113 0.000 1.051 110 K CA 1.116 57.451 56.287 0.080 0.000 0.952 110 K CB -0.152 32.405 32.500 0.095 0.000 0.736 110 K HN 0.235 nan 8.250 nan 0.000 0.453 111 A N 1.090 123.989 122.820 0.131 0.000 1.968 111 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 111 A C 2.072 179.655 177.584 -0.002 0.000 1.169 111 A CA 1.260 53.326 52.037 0.047 0.000 0.638 111 A CB -0.243 18.757 19.000 0.001 0.000 0.812 111 A HN 0.397 nan 8.150 nan 0.000 0.446 112 E N 0.146 120.351 120.200 0.009 0.000 2.347 112 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 112 E C 1.645 178.243 176.600 -0.004 0.000 1.008 112 E CA 0.904 57.299 56.400 -0.007 0.000 0.852 112 E CB -0.051 29.645 29.700 -0.008 0.000 0.783 112 E HN 0.742 nan 8.360 nan 0.000 0.505 113 E N 0.296 120.500 120.200 0.008 0.000 2.072 113 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 113 E C 2.170 178.772 176.600 0.004 0.000 0.985 113 E CA 0.830 57.235 56.400 0.008 0.000 0.801 113 E CB 0.008 29.719 29.700 0.017 0.000 0.750 113 E HN 0.362 nan 8.360 nan 0.000 0.452 114 L N 0.451 121.675 121.223 0.003 0.000 2.044 114 L HA -0.158 4.181 4.340 -0.000 0.000 0.205 114 L C 2.481 179.338 176.870 -0.021 0.000 1.075 114 L CA 0.342 55.178 54.840 -0.007 0.000 0.747 114 L CB -0.330 41.720 42.059 -0.016 0.000 0.903 114 L HN 0.151 nan 8.230 nan 0.000 0.435 115 L N 0.116 121.318 121.223 -0.034 0.000 2.081 115 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 115 L C 2.205 179.059 176.870 -0.027 0.000 1.080 115 L CA 1.815 56.629 54.840 -0.043 0.000 0.754 115 L CB -0.827 41.203 42.059 -0.048 0.000 0.893 115 L HN 0.307 nan 8.230 nan 0.000 0.433 116 D N -1.422 118.968 120.400 -0.016 0.000 2.277 116 D HA -0.191 4.449 4.640 -0.000 0.000 0.208 116 D C 1.852 178.149 176.300 -0.005 0.000 0.962 116 D CA 0.469 54.464 54.000 -0.010 0.000 0.865 116 D CB 0.314 41.111 40.800 -0.006 0.000 0.939 116 D HN 0.504 nan 8.370 nan 0.000 0.510 117 Q N 0.408 120.205 119.800 -0.004 0.000 2.444 117 Q HA -0.003 4.337 4.340 -0.000 0.000 0.206 117 Q C -0.277 175.723 176.000 0.001 0.000 0.948 117 Q CA 0.276 56.079 55.803 0.000 0.000 0.946 117 Q CB -0.051 28.688 28.738 0.003 0.000 1.027 117 Q HN 0.226 nan 8.270 nan 0.000 0.513 118 N N 0.048 118.746 118.700 -0.003 0.000 2.862 118 N HA -0.125 4.615 4.740 -0.000 0.000 0.248 118 N C -1.092 174.425 175.510 0.011 0.000 1.116 118 N CA 0.009 53.060 53.050 0.001 0.000 0.727 118 N CB -0.584 37.908 38.487 0.009 0.000 1.083 118 N HN 0.219 nan 8.380 nan 0.000 0.555 119 I N 1.678 122.250 120.570 0.002 0.000 2.416 119 I HA 0.038 4.208 4.170 -0.000 0.000 0.288 119 I C 1.283 177.412 176.117 0.020 0.000 1.051 119 I CA 0.073 61.383 61.300 0.016 0.000 1.375 119 I CB 0.161 38.160 38.000 -0.002 0.000 1.407 119 I HN 0.178 nan 8.210 nan 0.000 0.516 120 H N 8.983 128.037 119.070 -0.026 0.000 3.001 120 H HA 0.030 4.586 4.556 -0.000 0.000 0.334 120 H C -1.613 173.691 175.328 -0.040 0.000 1.034 120 H CA -0.279 55.753 56.048 -0.027 0.000 1.420 120 H CB 0.907 30.656 29.762 -0.021 0.000 1.405 120 H HN 0.347 nan 8.280 nan 0.000 0.593 121 P HA -0.251 nan 4.420 nan 0.000 0.216 121 P C 1.470 178.748 177.300 -0.037 0.000 1.150 121 P CA 2.245 65.211 63.100 -0.223 0.000 0.843 121 P CB 0.087 31.609 31.700 -0.296 0.000 0.787 122 S N -1.087 114.739 115.700 0.210 0.000 2.368 122 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 122 S C 1.967 176.624 174.600 0.095 0.000 1.030 122 S CA 1.210 59.527 58.200 0.196 0.000 0.999 122 S CB -1.639 61.716 63.200 0.258 0.000 0.844 122 S HN 0.068 nan 8.310 nan 0.000 0.459 123 I N 1.516 122.150 120.570 0.107 0.000 2.179 123 I HA -0.144 4.026 4.170 -0.000 0.000 0.242 123 I C 2.499 178.604 176.117 -0.021 0.000 1.088 123 I CA 1.461 62.782 61.300 0.035 0.000 1.357 123 I CB -0.472 37.552 38.000 0.040 0.000 1.051 123 I HN 0.293 nan 8.210 nan 0.000 0.409 124 I N 0.209 120.733 120.570 -0.075 0.000 2.127 124 I HA -0.331 3.839 4.170 -0.000 0.000 0.241 124 I C 2.633 178.590 176.117 -0.268 0.000 1.075 124 I CA 1.709 62.876 61.300 -0.221 0.000 1.334 124 I CB -0.701 37.121 38.000 -0.296 0.000 1.040 124 I HN 0.230 nan 8.210 nan 0.000 0.405 125 T N 0.388 114.850 114.554 -0.153 0.000 2.759 125 T HA -0.248 4.102 4.350 -0.000 0.000 0.269 125 T C 1.968 176.681 174.700 0.021 0.000 1.042 125 T CA 1.675 63.739 62.100 -0.060 0.000 1.140 125 T CB -0.143 68.717 68.868 -0.014 0.000 0.864 125 T HN 0.307 nan 8.240 nan 0.000 0.455 126 K N 0.012 120.422 120.400 0.017 0.000 2.062 126 K HA -0.028 4.292 4.320 -0.000 0.000 0.205 126 K C 2.472 179.105 176.600 0.055 0.000 1.051 126 K CA 1.308 57.617 56.287 0.036 0.000 0.941 126 K CB -0.535 31.979 32.500 0.025 0.000 0.719 126 K HN 0.343 nan 8.250 nan 0.000 0.440 127 G N 0.101 108.933 108.800 0.052 0.000 2.440 127 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 127 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 127 G C 1.375 176.394 174.900 0.199 0.000 1.154 127 G CA 0.828 45.988 45.100 0.100 0.000 0.767 127 G HN 0.386 nan 8.290 nan 0.000 0.552 128 Y N 0.822 121.129 120.300 0.011 0.000 2.163 128 Y HA -0.075 4.474 4.550 -0.000 0.000 0.288 128 Y C 3.302 179.115 175.900 -0.146 0.000 1.136 128 Y CA 0.343 58.431 58.100 -0.020 0.000 1.147 128 Y CB -0.017 38.545 38.460 0.170 0.000 0.987 128 Y HN 0.301 nan 8.280 nan 0.000 0.509 129 A N 0.249 123.144 122.820 0.126 0.000 1.978 129 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 129 A C 2.164 179.732 177.584 -0.026 0.000 1.170 129 A CA 1.397 53.457 52.037 0.040 0.000 0.636 129 A CB -0.960 18.073 19.000 0.055 0.000 0.810 129 A HN 0.484 nan 8.150 nan 0.000 0.448 130 L N -1.134 120.090 121.223 0.002 0.000 2.027 130 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 130 L C 3.132 179.975 176.870 -0.044 0.000 1.074 130 L CA 1.034 55.899 54.840 0.042 0.000 0.745 130 L CB -0.518 41.625 42.059 0.141 0.000 0.898 130 L HN 0.435 nan 8.230 nan 0.000 0.433 131 A N -0.074 122.632 122.820 -0.191 0.000 1.902 131 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 131 A C 2.497 179.672 177.584 -0.681 0.000 1.181 131 A CA 1.723 53.475 52.037 -0.476 0.000 0.623 131 A CB -0.706 17.766 19.000 -0.881 0.000 0.818 131 A HN 0.418 nan 8.150 nan 0.000 0.443 132 A N -0.371 122.015 122.820 -0.724 0.000 1.877 132 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 132 A C 1.931 179.410 177.584 -0.175 0.000 1.186 132 A CA 2.042 53.861 52.037 -0.364 0.000 0.620 132 A CB -0.531 18.386 19.000 -0.140 0.000 0.822 132 A HN 0.501 nan 8.150 nan 0.000 0.443 133 E N -0.501 119.607 120.200 -0.155 0.000 2.051 133 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 133 E C 2.073 178.579 176.600 -0.158 0.000 0.991 133 E CA 1.560 57.894 56.400 -0.110 0.000 0.799 133 E CB -0.118 29.536 29.700 -0.077 0.000 0.748 133 E HN 0.479 nan 8.360 nan 0.000 0.449 134 K N 0.316 120.561 120.400 -0.257 0.000 2.148 134 K HA 0.002 4.322 4.320 -0.000 0.000 0.204 134 K C 1.703 178.158 176.600 -0.241 0.000 1.050 134 K CA 1.233 57.300 56.287 -0.367 0.000 0.942 134 K CB -0.372 31.666 32.500 -0.769 0.000 0.724 134 K HN 0.128 nan 8.250 nan 0.000 0.446 135 A N 0.343 123.055 122.820 -0.179 0.000 1.969 135 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 135 A C 1.940 179.495 177.584 -0.048 0.000 1.169 135 A CA 1.223 53.215 52.037 -0.074 0.000 0.635 135 A CB -0.383 18.627 19.000 0.018 0.000 0.810 135 A HN 0.328 nan 8.150 nan 0.000 0.445 136 Q N -0.170 119.597 119.800 -0.056 0.000 2.123 136 Q HA -0.133 4.206 4.340 -0.000 0.000 0.199 136 Q C 1.813 177.787 176.000 -0.043 0.000 0.966 136 Q CA 1.448 57.230 55.803 -0.035 0.000 0.845 136 Q CB -0.329 28.391 28.738 -0.030 0.000 0.907 136 Q HN 0.802 nan 8.270 nan 0.000 0.439 137 E N 0.436 120.595 120.200 -0.069 0.000 2.051 137 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 137 E C 2.118 178.687 176.600 -0.053 0.000 0.991 137 E CA 0.764 57.125 56.400 -0.065 0.000 0.799 137 E CB -0.085 29.557 29.700 -0.096 0.000 0.748 137 E HN 0.295 nan 8.360 nan 0.000 0.449 138 I N 1.005 121.537 120.570 -0.063 0.000 2.226 138 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 138 I C 2.344 178.450 176.117 -0.018 0.000 1.100 138 I CA 0.933 62.209 61.300 -0.040 0.000 1.374 138 I CB -0.205 37.769 38.000 -0.043 0.000 1.057 138 I HN 0.119 nan 8.210 nan 0.000 0.413 139 L N 0.236 121.450 121.223 -0.016 0.000 1.994 139 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 139 L C 2.222 179.091 176.870 -0.002 0.000 1.071 139 L CA 1.376 56.214 54.840 -0.003 0.000 0.745 139 L CB -0.812 41.246 42.059 -0.001 0.000 0.892 139 L HN 0.260 nan 8.230 nan 0.000 0.431 140 D N -0.028 120.367 120.400 -0.008 0.000 2.182 140 D HA -0.194 4.446 4.640 -0.000 0.000 0.201 140 D C 2.099 178.397 176.300 -0.003 0.000 0.986 140 D CA 1.216 55.213 54.000 -0.005 0.000 0.847 140 D CB -0.037 40.758 40.800 -0.009 0.000 0.942 140 D HN 0.444 nan 8.370 nan 0.000 0.467 141 E N 0.014 120.210 120.200 -0.007 0.000 2.076 141 E HA -0.034 4.316 4.350 -0.000 0.000 0.190 141 E C 2.177 178.778 176.600 0.003 0.000 0.979 141 E CA 0.436 56.833 56.400 -0.004 0.000 0.807 141 E CB 0.022 29.717 29.700 -0.009 0.000 0.761 141 E HN 0.429 nan 8.360 nan 0.000 0.454 142 I N -1.775 118.799 120.570 0.006 0.000 3.684 142 I HA 0.269 4.439 4.170 -0.000 0.000 0.304 142 I C 0.734 176.860 176.117 0.015 0.000 1.278 142 I CA -0.496 60.813 61.300 0.014 0.000 1.272 142 I CB 0.083 38.098 38.000 0.025 0.000 1.029 142 I HN -0.205 nan 8.210 nan 0.000 0.458 143 A N 1.986 124.813 122.820 0.012 0.000 2.407 143 A HA 0.520 4.839 4.320 -0.000 0.000 0.248 143 A C 0.078 177.669 177.584 0.013 0.000 1.082 143 A CA -0.297 51.748 52.037 0.013 0.000 0.785 143 A CB 0.081 19.088 19.000 0.011 0.000 1.020 143 A HN 0.432 nan 8.150 nan 0.000 0.489 144 I N 2.475 123.054 120.570 0.014 0.000 2.281 144 I HA 0.168 4.338 4.170 -0.000 0.000 0.293 144 I C 0.306 176.432 176.117 0.015 0.000 1.085 144 I CA -0.460 60.848 61.300 0.014 0.000 1.257 144 I CB 0.402 38.410 38.000 0.014 0.000 1.430 144 I HN 0.542 nan 8.210 nan 0.000 0.489 145 R N 4.330 124.838 120.500 0.014 0.000 2.484 145 R HA 0.361 4.700 4.340 -0.000 0.000 0.293 145 R C -0.550 175.761 176.300 0.018 0.000 1.023 145 R CA 0.122 56.232 56.100 0.016 0.000 1.037 145 R CB 0.561 30.870 30.300 0.014 0.000 0.951 145 R HN 0.417 nan 8.270 nan 0.000 0.418 146 V N 1.790 121.718 119.914 0.023 0.000 3.141 146 V HA 0.235 4.354 4.120 -0.000 0.000 0.312 146 V C -0.857 175.258 176.094 0.035 0.000 1.157 146 V CA -0.909 61.407 62.300 0.025 0.000 1.041 146 V CB 2.459 34.295 31.823 0.023 0.000 1.071 146 V HN 0.683 nan 8.190 nan 0.000 0.441 147 D N 3.109 123.531 120.400 0.036 0.000 2.359 147 D HA 0.242 4.882 4.640 -0.000 0.000 0.250 147 D C -1.674 174.666 176.300 0.067 0.000 1.264 147 D CA -1.598 52.432 54.000 0.051 0.000 0.911 147 D CB 1.648 42.474 40.800 0.043 0.000 1.056 147 D HN 0.229 nan 8.370 nan 0.000 0.499 148 P HA -0.177 nan 4.420 nan 0.000 0.219 148 P C 0.627 177.974 177.300 0.078 0.000 1.147 148 P CA 1.022 64.203 63.100 0.135 0.000 0.821 148 P CB 0.417 32.281 31.700 0.274 0.000 0.771 149 D N -2.061 118.399 120.400 0.101 0.000 2.388 149 D HA -0.026 4.613 4.640 -0.000 0.000 0.208 149 D C 0.038 176.337 176.300 -0.002 0.000 1.035 149 D CA 0.036 54.049 54.000 0.023 0.000 0.875 149 D CB -0.593 40.288 40.800 0.135 0.000 0.984 149 D HN 0.031 nan 8.370 nan 0.000 0.508 150 D N 1.190 121.601 120.400 0.019 0.000 2.536 150 D HA -0.124 4.516 4.640 -0.000 0.000 0.260 150 D C 1.280 177.578 176.300 -0.003 0.000 1.270 150 D CA 0.437 54.443 54.000 0.011 0.000 0.934 150 D CB 0.507 41.317 40.800 0.017 0.000 1.129 150 D HN 0.142 nan 8.370 nan 0.000 0.533 151 E N 3.127 123.324 120.200 -0.005 0.000 2.077 151 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 151 E C 1.471 178.070 176.600 -0.002 0.000 0.989 151 E CA 1.061 57.456 56.400 -0.009 0.000 0.800 151 E CB 0.094 29.790 29.700 -0.007 0.000 0.746 151 E HN 0.765 nan 8.360 nan 0.000 0.452 152 E N -0.464 119.738 120.200 0.003 0.000 2.085 152 E HA -0.194 4.155 4.350 -0.000 0.000 0.194 152 E C 1.858 178.462 176.600 0.006 0.000 0.994 152 E CA 1.914 58.317 56.400 0.005 0.000 0.801 152 E CB -0.011 29.693 29.700 0.007 0.000 0.743 152 E HN 0.193 nan 8.360 nan 0.000 0.453 153 T N 1.145 115.703 114.554 0.006 0.000 2.701 153 T HA -0.089 4.261 4.350 -0.000 0.000 0.263 153 T C 1.860 176.563 174.700 0.005 0.000 1.040 153 T CA 1.182 63.286 62.100 0.008 0.000 1.147 153 T CB -0.216 68.658 68.868 0.009 0.000 0.865 153 T HN 0.158 nan 8.240 nan 0.000 0.426 154 L N 0.552 121.773 121.223 -0.002 0.000 2.129 154 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 154 L C 2.412 179.282 176.870 0.001 0.000 1.087 154 L CA 1.060 55.896 54.840 -0.007 0.000 0.757 154 L CB -0.604 41.440 42.059 -0.024 0.000 0.896 154 L HN 0.272 nan 8.230 nan 0.000 0.434 155 L N -0.593 120.632 121.223 0.003 0.000 2.109 155 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 155 L C 2.585 179.463 176.870 0.014 0.000 1.086 155 L CA 1.228 56.074 54.840 0.009 0.000 0.760 155 L CB -0.295 41.769 42.059 0.008 0.000 0.910 155 L HN 0.188 nan 8.230 nan 0.000 0.437 156 K N -0.205 120.203 120.400 0.013 0.000 2.097 156 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 156 K C 2.023 178.635 176.600 0.020 0.000 1.050 156 K CA 1.094 57.392 56.287 0.018 0.000 0.938 156 K CB -0.097 32.413 32.500 0.018 0.000 0.718 156 K HN 0.085 nan 8.250 nan 0.000 0.442 157 I N 1.241 121.821 120.570 0.016 0.000 2.179 157 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 157 I C 2.244 178.373 176.117 0.019 0.000 1.088 157 I CA 1.237 62.548 61.300 0.017 0.000 1.357 157 I CB -0.269 37.738 38.000 0.013 0.000 1.051 157 I HN 0.127 nan 8.210 nan 0.000 0.409 158 A N 0.038 122.869 122.820 0.019 0.000 1.858 158 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 158 A C 2.491 180.091 177.584 0.027 0.000 1.190 158 A CA 1.917 53.968 52.037 0.024 0.000 0.617 158 A CB -1.267 17.747 19.000 0.024 0.000 0.827 158 A HN 0.439 nan 8.150 nan 0.000 0.443 159 A N -1.239 121.597 122.820 0.027 0.000 1.902 159 A HA -0.099 4.220 4.320 -0.000 0.000 0.217 159 A C 2.302 179.909 177.584 0.038 0.000 1.181 159 A CA 2.335 54.391 52.037 0.031 0.000 0.623 159 A CB -1.333 17.683 19.000 0.026 0.000 0.818 159 A HN 0.424 nan 8.150 nan 0.000 0.443 160 T N -0.648 113.929 114.554 0.038 0.000 2.788 160 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 160 T C 2.271 176.993 174.700 0.037 0.000 1.044 160 T CA 1.679 63.805 62.100 0.044 0.000 1.139 160 T CB -0.263 68.626 68.868 0.035 0.000 0.867 160 T HN 0.537 nan 8.240 nan 0.000 0.454 161 S N 0.730 116.447 115.700 0.028 0.000 2.355 161 S HA 0.051 4.520 4.470 -0.000 0.000 0.222 161 S C 1.322 175.936 174.600 0.024 0.000 1.031 161 S CA 0.641 58.854 58.200 0.022 0.000 0.993 161 S CB -0.368 62.844 63.200 0.019 0.000 0.859 161 S HN 0.483 nan 8.310 nan 0.000 0.453 162 I N 2.235 122.822 120.570 0.029 0.000 3.539 162 I HA 0.100 4.270 4.170 -0.000 0.000 0.297 162 I C -0.358 175.784 176.117 0.042 0.000 1.284 162 I CA 0.089 61.407 61.300 0.030 0.000 1.355 162 I CB -0.682 37.338 38.000 0.032 0.000 1.144 162 I HN 0.137 nan 8.210 nan 0.000 0.495 163 T N 0.576 115.159 114.554 0.049 0.000 2.876 163 T HA 0.514 4.864 4.350 -0.000 0.000 0.289 163 T C 0.742 175.481 174.700 0.066 0.000 1.014 163 T CA -0.098 62.051 62.100 0.083 0.000 0.986 163 T CB 1.931 70.873 68.868 0.123 0.000 1.021 163 T HN 0.509 nan 8.240 nan 0.000 0.458 164 G N 2.456 111.310 108.800 0.090 0.000 2.176 164 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.252 164 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.252 164 G C -0.178 174.737 174.900 0.026 0.000 1.024 164 G CA 0.222 45.351 45.100 0.048 0.000 0.755 164 G HN 0.646 nan 8.290 nan 0.000 0.507 165 K N -1.197 119.222 120.400 0.030 0.000 2.395 165 K HA 0.452 4.772 4.320 -0.000 0.000 0.247 165 K C 0.994 177.606 176.600 0.020 0.000 0.973 165 K CA -0.493 55.805 56.287 0.017 0.000 0.828 165 K CB 1.285 33.793 32.500 0.013 0.000 1.272 165 K HN 0.024 nan 8.250 nan 0.000 0.439 166 N N 1.456 120.166 118.700 0.016 0.000 2.069 166 N HA -0.270 4.470 4.740 -0.000 0.000 0.196 166 N C 1.339 176.865 175.510 0.027 0.000 1.024 166 N CA 2.293 55.355 53.050 0.020 0.000 0.869 166 N CB -0.065 38.435 38.487 0.022 0.000 1.035 166 N HN 0.672 nan 8.380 nan 0.000 0.434 167 A N 0.439 123.281 122.820 0.035 0.000 2.248 167 A HA -0.116 4.203 4.320 -0.000 0.000 0.210 167 A C 1.687 179.293 177.584 0.036 0.000 1.174 167 A CA 1.168 53.242 52.037 0.062 0.000 0.750 167 A CB -0.871 18.165 19.000 0.060 0.000 0.780 167 A HN 0.755 nan 8.150 nan 0.000 0.478 168 E N 0.060 120.267 120.200 0.010 0.000 2.273 168 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 168 E C 1.558 178.112 176.600 -0.078 0.000 1.002 168 E CA 1.437 57.834 56.400 -0.006 0.000 0.828 168 E CB -0.557 29.157 29.700 0.023 0.000 0.747 168 E HN 0.475 nan 8.360 nan 0.000 0.491 169 S N 0.661 116.260 115.700 -0.168 0.000 2.400 169 S HA -0.129 4.340 4.470 -0.000 0.000 0.232 169 S C 0.871 175.144 174.600 -0.544 0.000 1.025 169 S CA 1.110 59.072 58.200 -0.397 0.000 0.993 169 S CB -0.264 62.588 63.200 -0.581 0.000 0.808 169 S HN 0.503 nan 8.310 nan 0.000 0.478 170 H N 0.635 119.706 119.070 0.001 0.000 2.505 170 H HA 0.234 4.789 4.556 -0.000 0.000 0.260 170 H C 1.202 176.533 175.328 0.006 0.000 1.168 170 H CA -0.088 55.962 56.048 0.003 0.000 0.945 170 H CB 0.013 29.779 29.762 0.007 0.000 1.800 170 H HN 0.542 nan 8.280 nan 0.000 0.586 171 K N 0.800 121.231 120.400 0.051 0.000 2.148 171 K HA -0.150 4.169 4.320 -0.000 0.000 0.204 171 K C 1.669 178.296 176.600 0.044 0.000 1.050 171 K CA 1.330 57.644 56.287 0.046 0.000 0.942 171 K CB 0.398 32.912 32.500 0.023 0.000 0.724 171 K HN 0.223 nan 8.250 nan 0.000 0.446 172 E N 1.026 121.248 120.200 0.036 0.000 2.058 172 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 172 E C 2.040 178.665 176.600 0.041 0.000 0.997 172 E CA 1.157 57.576 56.400 0.031 0.000 0.801 172 E CB -0.055 29.658 29.700 0.022 0.000 0.746 172 E HN 0.359 nan 8.360 nan 0.000 0.450 173 L N 0.944 122.202 121.223 0.060 0.000 1.988 173 L HA -0.134 4.205 4.340 -0.000 0.000 0.207 173 L C 2.236 179.138 176.870 0.054 0.000 1.071 173 L CA 1.624 56.496 54.840 0.055 0.000 0.744 173 L CB -0.699 41.398 42.059 0.062 0.000 0.893 173 L HN 0.221 nan 8.230 nan 0.000 0.433 174 L N -0.082 121.181 121.223 0.067 0.000 2.043 174 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 174 L C 2.746 179.650 176.870 0.057 0.000 1.075 174 L CA 1.360 56.238 54.840 0.064 0.000 0.752 174 L CB -1.214 40.885 42.059 0.067 0.000 0.891 174 L HN 0.467 nan 8.230 nan 0.000 0.432 175 A N 0.424 123.273 122.820 0.048 0.000 1.883 175 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 175 A C 2.415 180.020 177.584 0.034 0.000 1.186 175 A CA 2.185 54.245 52.037 0.039 0.000 0.624 175 A CB -0.538 18.481 19.000 0.031 0.000 0.822 175 A HN 0.389 nan 8.150 nan 0.000 0.444 176 K N -0.197 120.222 120.400 0.032 0.000 2.044 176 K HA -0.139 4.180 4.320 -0.000 0.000 0.210 176 K C 1.887 178.503 176.600 0.026 0.000 1.049 176 K CA 1.789 58.091 56.287 0.025 0.000 0.927 176 K CB -0.398 32.117 32.500 0.024 0.000 0.713 176 K HN 0.470 nan 8.250 nan 0.000 0.443 177 L N 0.327 121.573 121.223 0.037 0.000 2.083 177 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 177 L C 2.693 179.592 176.870 0.048 0.000 1.083 177 L CA 1.168 56.034 54.840 0.043 0.000 0.752 177 L CB -0.588 41.507 42.059 0.060 0.000 0.899 177 L HN 0.347 nan 8.230 nan 0.000 0.433 178 A N -0.338 122.519 122.820 0.062 0.000 1.897 178 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 178 A C 2.330 179.932 177.584 0.031 0.000 1.181 178 A CA 1.436 53.515 52.037 0.070 0.000 0.620 178 A CB -0.649 18.399 19.000 0.081 0.000 0.821 178 A HN 0.169 nan 8.150 nan 0.000 0.443 179 V N 0.049 119.974 119.914 0.017 0.000 2.307 179 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 179 V C 2.396 178.479 176.094 -0.020 0.000 1.045 179 V CA 2.192 64.488 62.300 -0.006 0.000 1.024 179 V CB -0.886 30.933 31.823 -0.006 0.000 0.651 179 V HN 0.618 nan 8.190 nan 0.000 0.449 180 E N 0.294 120.487 120.200 -0.010 0.000 2.070 180 E HA -0.275 4.075 4.350 -0.000 0.000 0.197 180 E C 2.325 178.908 176.600 -0.028 0.000 1.004 180 E CA 1.537 57.926 56.400 -0.017 0.000 0.805 180 E CB -0.363 29.334 29.700 -0.006 0.000 0.744 180 E HN 0.597 nan 8.360 nan 0.000 0.451 181 A N 0.734 123.538 122.820 -0.027 0.000 1.877 181 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 181 A C 2.499 180.049 177.584 -0.058 0.000 1.186 181 A CA 1.454 53.462 52.037 -0.049 0.000 0.620 181 A CB -0.675 18.286 19.000 -0.065 0.000 0.822 181 A HN 0.137 nan 8.150 nan 0.000 0.443 182 V N 0.362 120.246 119.914 -0.050 0.000 2.358 182 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 182 V C 2.517 178.558 176.094 -0.090 0.000 1.047 182 V CA 2.038 64.301 62.300 -0.062 0.000 1.035 182 V CB -0.650 31.142 31.823 -0.052 0.000 0.658 182 V HN 0.422 nan 8.190 nan 0.000 0.452 183 K N -0.228 120.115 120.400 -0.096 0.000 2.020 183 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 183 K C 2.288 178.838 176.600 -0.083 0.000 1.050 183 K CA 1.541 57.754 56.287 -0.123 0.000 0.929 183 K CB -0.496 31.950 32.500 -0.090 0.000 0.714 183 K HN 0.397 nan 8.250 nan 0.000 0.443 184 Q N 0.551 120.320 119.800 -0.052 0.000 2.002 184 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 184 Q C 2.308 178.293 176.000 -0.025 0.000 0.988 184 Q CA 1.269 57.054 55.803 -0.030 0.000 0.843 184 Q CB -0.532 28.188 28.738 -0.029 0.000 0.908 184 Q HN 0.089 nan 8.270 nan 0.000 0.420 185 V N 1.433 121.324 119.914 -0.039 0.000 2.407 185 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 185 V C 1.124 177.212 176.094 -0.010 0.000 1.055 185 V CA 0.785 63.066 62.300 -0.032 0.000 1.049 185 V CB -1.056 30.737 31.823 -0.050 0.000 0.662 185 V HN 0.343 nan 8.190 nan 0.000 0.455 186 A N 1.122 123.928 122.820 -0.024 0.000 2.598 186 A HA -0.002 4.318 4.320 -0.000 0.000 0.239 186 A C 0.381 178.031 177.584 0.110 0.000 1.032 186 A CA 0.529 52.572 52.037 0.010 0.000 0.760 186 A CB -0.158 18.763 19.000 -0.132 0.000 0.946 186 A HN 0.422 nan 8.150 nan 0.000 0.512 187 E N 2.145 122.437 120.200 0.153 0.000 2.156 187 E HA 0.231 4.580 4.350 -0.000 0.000 0.279 187 E C -0.264 176.452 176.600 0.192 0.000 0.965 187 E CA -0.681 55.803 56.400 0.141 0.000 0.789 187 E CB 1.580 31.323 29.700 0.071 0.000 1.098 187 E HN 0.657 nan 8.360 nan 0.000 0.397 188 K N 2.072 122.541 120.400 0.114 0.000 2.201 188 K HA 0.497 4.817 4.320 -0.000 0.000 0.278 188 K C -0.415 176.123 176.600 -0.104 0.000 1.027 188 K CA -0.833 55.394 56.287 -0.101 0.000 0.909 188 K CB 1.353 33.791 32.500 -0.104 0.000 1.062 188 K HN 0.142 nan 8.250 nan 0.000 0.465 189 K N 2.496 122.801 120.400 -0.159 0.000 2.670 189 K HA 0.188 4.508 4.320 -0.000 0.000 0.274 189 K C -1.837 174.697 176.600 -0.109 0.000 1.068 189 K CA 0.078 56.306 56.287 -0.097 0.000 0.967 189 K CB 0.281 32.752 32.500 -0.048 0.000 1.297 189 K HN 0.686 nan 8.250 nan 0.000 0.477 190 D N 3.357 123.697 120.400 -0.101 0.000 2.767 190 D HA -0.102 4.537 4.640 -0.000 0.000 0.239 190 D C 0.741 176.972 176.300 -0.115 0.000 1.103 190 D CA 1.729 55.677 54.000 -0.086 0.000 0.710 190 D CB -1.181 39.584 40.800 -0.059 0.000 1.084 190 D HN 0.980 nan 8.370 nan 0.000 0.435 191 G N -0.910 107.794 108.800 -0.159 0.000 2.219 191 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.271 191 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.271 191 G C 0.426 175.193 174.900 -0.222 0.000 0.991 191 G CA 1.198 46.187 45.100 -0.185 0.000 0.685 191 G HN 0.456 nan 8.290 nan 0.000 0.531 192 K N -0.599 119.662 120.400 -0.230 0.000 2.345 192 K HA 0.667 4.987 4.320 -0.000 0.000 0.255 192 K C -0.369 176.110 176.600 -0.202 0.000 0.934 192 K CA -0.791 55.403 56.287 -0.155 0.000 0.801 192 K CB 0.879 33.343 32.500 -0.059 0.000 1.137 192 K HN 0.172 nan 8.250 nan 0.000 0.424 193 Y N 0.853 121.155 120.300 0.002 0.000 2.354 193 Y HA 0.590 5.140 4.550 -0.000 0.000 0.322 193 Y C -0.009 175.892 175.900 0.002 0.000 1.253 193 Y CA -0.670 57.431 58.100 0.002 0.000 1.272 193 Y CB 1.392 39.854 38.460 0.002 0.000 1.255 193 Y HN 0.082 nan 8.280 nan 0.000 0.500 194 V N 2.438 122.474 119.914 0.203 0.000 2.668 194 V HA 0.367 4.487 4.120 -0.000 0.000 0.304 194 V C -1.193 174.955 176.094 0.090 0.000 1.071 194 V CA -0.906 61.458 62.300 0.107 0.000 0.894 194 V CB 1.879 33.739 31.823 0.063 0.000 1.008 194 V HN 0.463 nan 8.190 nan 0.000 0.425 195 V N 3.080 123.027 119.914 0.055 0.000 2.409 195 V HA 0.466 4.586 4.120 -0.000 0.000 0.291 195 V C -0.575 175.528 176.094 0.017 0.000 1.020 195 V CA -0.487 61.829 62.300 0.027 0.000 0.848 195 V CB 1.928 33.755 31.823 0.007 0.000 0.990 195 V HN 0.895 nan 8.190 nan 0.000 0.430 196 D N 4.277 124.682 120.400 0.007 0.000 2.443 196 D HA 0.258 4.898 4.640 -0.000 0.000 0.221 196 D C 0.715 177.007 176.300 -0.012 0.000 1.097 196 D CA -0.479 53.522 54.000 0.001 0.000 0.865 196 D CB 1.554 42.353 40.800 -0.001 0.000 1.034 196 D HN 0.249 nan 8.370 nan 0.000 0.511 197 L N 2.993 124.213 121.223 -0.005 0.000 2.551 197 L HA -0.089 4.251 4.340 -0.000 0.000 0.230 197 L C 1.501 178.352 176.870 -0.033 0.000 1.163 197 L CA 1.094 55.926 54.840 -0.012 0.000 0.826 197 L CB -0.451 41.621 42.059 0.022 0.000 0.943 197 L HN 0.405 nan 8.230 nan 0.000 0.452 198 D N -0.828 119.555 120.400 -0.027 0.000 2.347 198 D HA -0.065 4.575 4.640 -0.000 0.000 0.215 198 D C 1.366 177.628 176.300 -0.064 0.000 0.976 198 D CA 0.442 54.420 54.000 -0.037 0.000 0.884 198 D CB 0.001 40.787 40.800 -0.022 0.000 0.915 198 D HN 0.374 nan 8.370 nan 0.000 0.526 199 N N 0.244 118.903 118.700 -0.069 0.000 2.398 199 N HA 0.053 4.792 4.740 -0.000 0.000 0.188 199 N C 0.198 175.631 175.510 -0.127 0.000 1.122 199 N CA 0.187 53.188 53.050 -0.082 0.000 0.866 199 N CB 1.233 39.684 38.487 -0.060 0.000 0.970 199 N HN 0.270 nan 8.380 nan 0.000 0.462 200 I N 1.113 121.578 120.570 -0.174 0.000 2.382 200 I HA 0.165 4.335 4.170 -0.000 0.000 0.285 200 I C 0.164 176.031 176.117 -0.416 0.000 1.007 200 I CA -0.655 60.464 61.300 -0.302 0.000 1.142 200 I CB 1.521 39.306 38.000 -0.358 0.000 1.289 200 I HN -0.361 nan 8.210 nan 0.000 0.453 201 K N 5.762 125.938 120.400 -0.373 0.000 2.144 201 K HA 0.489 4.809 4.320 -0.000 0.000 0.270 201 K C -1.133 175.207 176.600 -0.433 0.000 1.005 201 K CA -0.318 55.787 56.287 -0.302 0.000 0.932 201 K CB 1.312 33.704 32.500 -0.180 0.000 1.021 201 K HN 0.383 nan 8.250 nan 0.000 0.462 202 F N 1.924 121.852 119.950 -0.036 0.000 2.430 202 F HA 0.134 4.661 4.527 -0.000 0.000 0.362 202 F C 0.326 176.103 175.800 -0.038 0.000 1.103 202 F CA -0.871 57.111 58.000 -0.031 0.000 1.045 202 F CB 1.597 40.584 39.000 -0.021 0.000 1.276 202 F HN 0.405 nan 8.300 nan 0.000 0.444 203 E N 5.287 125.565 120.200 0.130 0.000 2.151 203 E HA 0.371 4.721 4.350 -0.000 0.000 0.275 203 E C -1.220 175.415 176.600 0.059 0.000 0.936 203 E CA -0.706 55.721 56.400 0.045 0.000 0.777 203 E CB 0.919 30.595 29.700 -0.040 0.000 1.108 203 E HN 0.528 nan 8.360 nan 0.000 0.401 204 K N 2.575 122.998 120.400 0.038 0.000 2.318 204 K HA 0.721 5.041 4.320 -0.000 0.000 0.249 204 K C -1.023 175.585 176.600 0.014 0.000 0.942 204 K CA -1.257 55.046 56.287 0.027 0.000 0.808 204 K CB 1.933 34.440 32.500 0.012 0.000 1.189 204 K HN 0.139 nan 8.250 nan 0.000 0.428 205 K N 1.336 121.747 120.400 0.019 0.000 2.619 205 K HA 0.365 4.685 4.320 -0.000 0.000 0.251 205 K C -1.336 175.273 176.600 0.016 0.000 0.987 205 K CA -0.177 56.121 56.287 0.018 0.000 0.844 205 K CB 1.963 34.485 32.500 0.036 0.000 1.237 205 K HN 0.877 nan 8.250 nan 0.000 0.447 206 A N 2.113 124.936 122.820 0.006 0.000 2.466 206 A HA 0.638 4.958 4.320 -0.000 0.000 0.238 206 A C 0.506 178.096 177.584 0.011 0.000 1.074 206 A CA 1.137 53.177 52.037 0.005 0.000 0.774 206 A CB -0.217 18.782 19.000 -0.002 0.000 1.015 206 A HN 1.100 nan 8.150 nan 0.000 0.498 207 G N 0.196 109.002 108.800 0.010 0.000 2.362 207 G HA2 0.447 4.407 3.960 -0.000 0.000 0.656 207 G HA3 0.447 4.407 3.960 -0.000 0.000 0.656 207 G C -0.462 174.441 174.900 0.005 0.000 1.376 207 G CA -0.050 45.056 45.100 0.010 0.000 0.971 207 G HN 1.419 nan 8.290 nan 0.000 0.636 208 E N -1.935 118.266 120.200 0.003 0.000 3.611 208 E HA -0.107 4.242 4.350 -0.000 0.000 0.238 208 E C 0.762 177.354 176.600 -0.012 0.000 1.468 208 E CA 1.752 58.149 56.400 -0.005 0.000 2.235 208 E CB -1.290 28.405 29.700 -0.008 0.000 2.090 208 E HN 2.030 nan 8.360 nan 0.000 0.483 209 G N -1.304 107.476 108.800 -0.034 0.000 2.600 209 G HA2 0.488 4.448 3.960 -0.000 0.000 0.303 209 G HA3 0.488 4.448 3.960 -0.000 0.000 0.303 209 G C 0.819 175.646 174.900 -0.122 0.000 1.253 209 G CA -0.088 44.977 45.100 -0.057 0.000 0.974 209 G HN 0.250 nan 8.290 nan 0.000 0.483 210 V N -0.018 119.784 119.914 -0.187 0.000 2.594 210 V HA -0.123 3.997 4.120 -0.000 0.000 0.253 210 V C 2.606 178.450 176.094 -0.417 0.000 1.069 210 V CA 2.216 64.363 62.300 -0.255 0.000 1.082 210 V CB -0.299 31.404 31.823 -0.200 0.000 0.680 210 V HN 0.757 nan 8.190 nan 0.000 0.469 211 E N 0.668 120.501 120.200 -0.612 0.000 2.401 211 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 211 E C 1.693 178.194 176.600 -0.165 0.000 1.023 211 E CA 0.855 57.003 56.400 -0.420 0.000 0.859 211 E CB -0.130 29.413 29.700 -0.262 0.000 0.780 211 E HN 0.601 nan 8.360 nan 0.000 0.523 212 E N -0.621 119.503 120.200 -0.126 0.000 2.474 212 E HA 0.169 4.519 4.350 -0.000 0.000 0.195 212 E C -0.194 176.389 176.600 -0.027 0.000 1.039 212 E CA -0.032 56.335 56.400 -0.056 0.000 0.881 212 E CB 0.461 30.138 29.700 -0.037 0.000 0.970 212 E HN -0.005 nan 8.360 nan 0.000 0.486 213 S N 1.363 117.041 115.700 -0.037 0.000 2.584 213 S HA 0.219 4.689 4.470 -0.000 0.000 0.270 213 S C 0.292 174.906 174.600 0.023 0.000 1.346 213 S CA -0.186 58.017 58.200 0.005 0.000 1.018 213 S CB 0.524 63.727 63.200 0.005 0.000 0.899 213 S HN 0.313 nan 8.310 nan 0.000 0.542 214 E N 0.164 120.393 120.200 0.048 0.000 2.437 214 E HA 0.509 4.859 4.350 -0.000 0.000 0.280 214 E C -1.722 174.911 176.600 0.055 0.000 1.044 214 E CA -1.012 55.417 56.400 0.049 0.000 0.826 214 E CB 0.691 30.421 29.700 0.051 0.000 1.358 214 E HN 0.339 nan 8.360 nan 0.000 0.459 215 L N 2.303 123.551 121.223 0.042 0.000 2.287 215 L HA 0.470 4.809 4.340 -0.000 0.000 0.287 215 L C -1.242 175.646 176.870 0.031 0.000 1.022 215 L CA -0.795 54.061 54.840 0.027 0.000 0.814 215 L CB 1.377 43.445 42.059 0.016 0.000 1.217 215 L HN 0.591 nan 8.230 nan 0.000 0.420 216 V N 6.729 126.658 119.914 0.025 0.000 2.333 216 V HA 0.386 4.505 4.120 -0.000 0.000 0.274 216 V C 0.791 176.888 176.094 0.005 0.000 1.028 216 V CA -0.665 61.658 62.300 0.039 0.000 0.851 216 V CB 1.144 33.007 31.823 0.066 0.000 1.000 216 V HN 0.633 nan 8.190 nan 0.000 0.456 217 R N 4.196 124.703 120.500 0.011 0.000 3.641 217 R HA 0.463 4.802 4.340 -0.000 0.000 0.189 217 R C 0.849 177.144 176.300 -0.009 0.000 1.706 217 R CA 0.458 56.556 56.100 -0.002 0.000 1.311 217 R CB -0.075 30.231 30.300 0.010 0.000 1.330 217 R HN 0.990 nan 8.270 nan 0.000 0.727 218 G N -0.674 108.108 108.800 -0.030 0.000 2.512 218 G HA2 0.162 4.122 3.960 -0.000 0.000 0.181 218 G HA3 0.162 4.122 3.960 -0.000 0.000 0.181 218 G C -1.511 173.340 174.900 -0.082 0.000 1.173 218 G CA -0.613 44.457 45.100 -0.050 0.000 0.988 218 G HN 0.105 nan 8.290 nan 0.000 0.485 219 V N -0.110 119.741 119.914 -0.105 0.000 2.876 219 V HA 0.693 4.813 4.120 -0.000 0.000 0.312 219 V C -0.510 175.474 176.094 -0.182 0.000 1.085 219 V CA -0.744 61.467 62.300 -0.149 0.000 0.945 219 V CB 1.900 33.608 31.823 -0.192 0.000 1.017 219 V HN 0.784 nan 8.190 nan 0.000 0.428 220 V N 5.118 124.888 119.914 -0.240 0.000 2.304 220 V HA 0.432 4.552 4.120 -0.000 0.000 0.278 220 V C -0.321 175.600 176.094 -0.288 0.000 1.018 220 V CA -0.358 61.695 62.300 -0.412 0.000 0.814 220 V CB 1.160 32.661 31.823 -0.537 0.000 1.021 220 V HN 0.581 nan 8.190 nan 0.000 0.440 221 I N 3.150 123.593 120.570 -0.212 0.000 2.331 221 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 221 I C 0.520 176.587 176.117 -0.082 0.000 0.998 221 I CA -0.193 61.045 61.300 -0.103 0.000 1.267 221 I CB 1.390 39.390 38.000 0.001 0.000 1.386 221 I HN 0.573 nan 8.210 nan 0.000 0.476 222 D N 5.551 125.915 120.400 -0.060 0.000 2.801 222 D HA 0.170 4.809 4.640 -0.000 0.000 0.232 222 D C 0.027 176.329 176.300 0.002 0.000 1.128 222 D CA 0.274 54.253 54.000 -0.034 0.000 1.003 222 D CB 0.100 40.882 40.800 -0.030 0.000 1.110 222 D HN 0.313 nan 8.370 nan 0.000 0.477 223 K N 0.154 120.568 120.400 0.023 0.000 2.197 223 K HA 0.606 4.925 4.320 -0.000 0.000 0.247 223 K C -0.721 175.904 176.600 0.042 0.000 1.077 223 K CA -0.709 55.602 56.287 0.040 0.000 0.882 223 K CB 1.279 33.821 32.500 0.070 0.000 1.396 223 K HN 0.020 nan 8.250 nan 0.000 0.482 224 E N -0.480 119.740 120.200 0.033 0.000 2.416 224 E HA 0.347 4.697 4.350 -0.000 0.000 0.273 224 E C -1.162 175.441 176.600 0.005 0.000 0.935 224 E CA -1.104 55.311 56.400 0.024 0.000 0.784 224 E CB 2.294 32.004 29.700 0.017 0.000 1.301 224 E HN 0.138 nan 8.360 nan 0.000 0.454 225 V N 2.823 122.737 119.914 0.001 0.000 2.439 225 V HA -0.053 4.067 4.120 -0.000 0.000 0.271 225 V C 1.726 177.822 176.094 0.003 0.000 1.040 225 V CA 0.173 62.464 62.300 -0.015 0.000 1.002 225 V CB 0.471 32.290 31.823 -0.005 0.000 1.000 225 V HN 0.715 nan 8.190 nan 0.000 0.477 226 V N 1.696 121.613 119.914 0.004 0.000 2.370 226 V HA -0.179 3.941 4.120 -0.000 0.000 0.252 226 V C 1.017 177.141 176.094 0.050 0.000 1.068 226 V CA 1.687 64.002 62.300 0.025 0.000 1.061 226 V CB -0.686 31.157 31.823 0.033 0.000 0.656 226 V HN 0.889 nan 8.190 nan 0.000 0.455 227 H N 1.718 120.773 119.070 -0.025 0.000 2.495 227 H HA 0.393 4.949 4.556 -0.000 0.000 0.348 227 H C -1.990 173.325 175.328 -0.022 0.000 1.113 227 H CA -1.760 54.275 56.048 -0.022 0.000 1.195 227 H CB 2.570 32.316 29.762 -0.027 0.000 1.521 227 H HN 0.099 nan 8.280 nan 0.000 0.509 228 P HA -0.081 nan 4.420 nan 0.000 0.223 228 P C 1.218 178.588 177.300 0.117 0.000 1.151 228 P CA 0.748 63.840 63.100 -0.014 0.000 0.787 228 P CB 0.469 32.103 31.700 -0.111 0.000 0.788 229 R N -0.856 119.864 120.500 0.366 0.000 2.297 229 R HA 0.176 4.516 4.340 -0.000 0.000 0.197 229 R C 1.097 177.449 176.300 0.086 0.000 0.943 229 R CA -0.002 56.220 56.100 0.203 0.000 1.038 229 R CB -0.231 30.184 30.300 0.192 0.000 0.957 229 R HN 0.221 nan 8.270 nan 0.000 0.484 230 M N 1.862 121.526 119.600 0.106 0.000 2.202 230 M HA 0.234 4.713 4.480 -0.000 0.000 0.316 230 M C -1.967 174.344 176.300 0.019 0.000 1.138 230 M CA -1.782 53.532 55.300 0.023 0.000 1.151 230 M CB 0.531 33.144 32.600 0.021 0.000 1.422 230 M HN -0.128 nan 8.290 nan 0.000 0.471 231 P HA 0.119 nan 4.420 nan 0.000 0.275 231 P C -0.746 176.556 177.300 0.003 0.000 1.227 231 P CA -0.182 62.920 63.100 0.003 0.000 0.781 231 P CB 0.752 32.451 31.700 -0.000 0.000 0.906 232 K N 1.543 121.948 120.400 0.007 0.000 2.404 232 K HA 0.125 4.445 4.320 -0.000 0.000 0.194 232 K C 0.950 177.557 176.600 0.012 0.000 1.023 232 K CA 0.256 56.550 56.287 0.011 0.000 1.094 232 K CB 0.400 32.908 32.500 0.013 0.000 0.841 232 K HN 0.500 nan 8.250 nan 0.000 0.523 233 R N 0.063 120.567 120.500 0.007 0.000 2.566 233 R HA 0.366 4.706 4.340 -0.000 0.000 0.271 233 R C -1.790 174.513 176.300 0.004 0.000 1.071 233 R CA -0.361 55.743 56.100 0.007 0.000 0.915 233 R CB 1.740 32.039 30.300 -0.001 0.000 1.228 233 R HN -0.215 nan 8.270 nan 0.000 0.449 234 V N 4.401 124.318 119.914 0.005 0.000 2.569 234 V HA 0.235 4.355 4.120 -0.000 0.000 0.301 234 V C 0.476 176.568 176.094 -0.002 0.000 1.044 234 V CA -0.765 61.536 62.300 0.002 0.000 0.874 234 V CB 1.716 33.538 31.823 -0.000 0.000 1.002 234 V HN 0.841 nan 8.190 nan 0.000 0.424 235 E N 2.596 122.799 120.200 0.005 0.000 1.999 235 E HA 0.009 4.359 4.350 -0.000 0.000 0.198 235 E C 0.304 176.906 176.600 0.003 0.000 0.960 235 E CA 0.649 57.053 56.400 0.008 0.000 0.870 235 E CB -0.039 29.675 29.700 0.024 0.000 0.827 235 E HN 0.624 nan 8.360 nan 0.000 0.511 236 N N 1.930 120.664 118.700 0.057 0.000 3.254 236 N HA 0.194 4.934 4.740 -0.000 0.000 0.308 236 N C -0.590 174.972 175.510 0.086 0.000 1.281 236 N CA 0.023 53.155 53.050 0.137 0.000 1.212 236 N CB 0.132 38.763 38.487 0.240 0.000 1.478 236 N HN 0.147 nan 8.380 nan 0.000 0.548 237 A N 1.412 124.205 122.820 -0.046 0.000 2.546 237 A HA 0.008 4.328 4.320 -0.000 0.000 0.243 237 A C 0.504 178.090 177.584 0.004 0.000 1.063 237 A CA 0.284 52.302 52.037 -0.031 0.000 0.757 237 A CB 0.312 19.283 19.000 -0.048 0.000 0.991 237 A HN 0.312 nan 8.150 nan 0.000 0.503 238 K N 2.636 123.066 120.400 0.050 0.000 2.292 238 K HA 0.407 4.727 4.320 -0.000 0.000 0.270 238 K C -1.238 175.398 176.600 0.061 0.000 1.062 238 K CA -0.156 56.176 56.287 0.075 0.000 0.916 238 K CB 0.996 33.531 32.500 0.060 0.000 1.166 238 K HN 0.584 nan 8.250 nan 0.000 0.458 239 I N 2.463 123.080 120.570 0.079 0.000 2.365 239 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 239 I C 0.147 176.331 176.117 0.111 0.000 1.004 239 I CA -0.110 61.263 61.300 0.122 0.000 1.311 239 I CB 1.639 39.733 38.000 0.157 0.000 1.401 239 I HN 0.538 nan 8.210 nan 0.000 0.491 240 A N 7.409 130.305 122.820 0.127 0.000 2.330 240 A HA 0.874 5.193 4.320 -0.000 0.000 0.327 240 A C -0.841 176.831 177.584 0.148 0.000 1.155 240 A CA -0.550 51.549 52.037 0.102 0.000 0.803 240 A CB 0.713 19.752 19.000 0.066 0.000 1.208 240 A HN 0.667 nan 8.150 nan 0.000 0.477 241 L N 3.460 124.750 121.223 0.113 0.000 2.343 241 L HA 0.559 4.899 4.340 -0.000 0.000 0.278 241 L C -0.905 176.016 176.870 0.086 0.000 0.996 241 L CA -0.065 54.845 54.840 0.117 0.000 0.831 241 L CB 1.258 43.359 42.059 0.069 0.000 1.232 241 L HN 0.592 nan 8.230 nan 0.000 0.413 242 I N 3.196 123.821 120.570 0.092 0.000 2.608 242 I HA 0.303 4.472 4.170 -0.000 0.000 0.295 242 I C 0.234 176.389 176.117 0.063 0.000 1.049 242 I CA -0.474 60.867 61.300 0.068 0.000 1.063 242 I CB 2.257 40.297 38.000 0.067 0.000 1.248 242 I HN 0.652 nan 8.210 nan 0.000 0.424 243 N N 4.092 122.820 118.700 0.047 0.000 2.171 243 N HA 0.003 4.742 4.740 -0.000 0.000 0.212 243 N C 0.078 175.609 175.510 0.035 0.000 1.184 243 N CA -0.206 52.869 53.050 0.041 0.000 0.888 243 N CB 0.707 39.213 38.487 0.032 0.000 1.038 243 N HN 0.733 nan 8.380 nan 0.000 0.517 244 E N 1.458 121.678 120.200 0.034 0.000 2.229 244 E HA 0.431 4.781 4.350 -0.000 0.000 0.283 244 E C -0.479 176.141 176.600 0.034 0.000 1.030 244 E CA -0.677 55.740 56.400 0.029 0.000 0.836 244 E CB 1.082 30.797 29.700 0.024 0.000 1.068 244 E HN 0.248 nan 8.360 nan 0.000 0.401 245 A N 4.666 127.505 122.820 0.031 0.000 2.520 245 A HA 0.091 4.411 4.320 -0.000 0.000 0.245 245 A C -0.170 177.437 177.584 0.038 0.000 1.072 245 A CA -0.350 51.707 52.037 0.034 0.000 0.761 245 A CB 0.101 19.119 19.000 0.029 0.000 1.004 245 A HN 0.629 nan 8.150 nan 0.000 0.499 246 L N 3.650 124.899 121.223 0.044 0.000 2.448 246 L HA 0.262 4.602 4.340 -0.000 0.000 0.278 246 L C 0.725 177.626 176.870 0.052 0.000 1.201 246 L CA 0.983 55.854 54.840 0.053 0.000 1.036 246 L CB -1.228 40.867 42.059 0.060 0.000 1.325 246 L HN 0.940 nan 8.230 nan 0.000 0.441 247 E N 0.901 121.130 120.200 0.049 0.000 2.442 247 E HA 0.322 4.672 4.350 -0.000 0.000 0.278 247 E C -1.357 175.271 176.600 0.045 0.000 1.082 247 E CA -1.078 55.350 56.400 0.046 0.000 0.861 247 E CB 1.036 30.758 29.700 0.036 0.000 1.462 247 E HN -0.175 nan 8.360 nan 0.000 0.458 248 V N 2.514 122.455 119.914 0.044 0.000 2.425 248 V HA 0.071 4.191 4.120 -0.000 0.000 0.276 248 V C 0.286 176.402 176.094 0.036 0.000 1.017 248 V CA -0.013 62.313 62.300 0.044 0.000 1.062 248 V CB -0.202 31.649 31.823 0.047 0.000 0.997 248 V HN 0.435 nan 8.190 nan 0.000 0.476 249 K N 5.340 125.760 120.400 0.034 0.000 2.382 249 K HA 0.343 4.663 4.320 -0.000 0.000 0.275 249 K C -0.263 176.354 176.600 0.028 0.000 1.009 249 K CA -0.126 56.177 56.287 0.027 0.000 0.970 249 K CB 0.921 33.434 32.500 0.022 0.000 0.934 249 K HN 0.575 nan 8.250 nan 0.000 0.479 250 K N 1.219 121.632 120.400 0.023 0.000 2.378 250 K HA 0.190 4.510 4.320 -0.000 0.000 0.252 250 K C -0.066 176.544 176.600 0.017 0.000 0.931 250 K CA -0.651 55.648 56.287 0.021 0.000 0.794 250 K CB 1.730 34.240 32.500 0.016 0.000 1.181 250 K HN 0.661 nan 8.250 nan 0.000 0.425 251 T N -0.737 113.827 114.554 0.017 0.000 2.795 251 T HA 0.028 4.378 4.350 -0.000 0.000 0.314 251 T C 0.979 175.685 174.700 0.010 0.000 1.069 251 T CA -0.347 61.761 62.100 0.014 0.000 1.071 251 T CB 0.631 69.508 68.868 0.014 0.000 0.988 251 T HN 0.456 nan 8.240 nan 0.000 0.543 252 E N 0.607 120.812 120.200 0.009 0.000 2.112 252 E HA 0.028 4.378 4.350 -0.000 0.000 0.190 252 E C 0.853 177.456 176.600 0.006 0.000 0.979 252 E CA 0.739 57.143 56.400 0.007 0.000 0.814 252 E CB -0.554 29.150 29.700 0.006 0.000 0.762 252 E HN 0.729 nan 8.360 nan 0.000 0.460 253 T N 3.399 117.957 114.554 0.006 0.000 2.870 253 T HA 0.058 4.408 4.350 -0.000 0.000 0.300 253 T C 0.046 174.748 174.700 0.004 0.000 0.989 253 T CA -0.356 61.747 62.100 0.005 0.000 1.139 253 T CB 0.616 69.488 68.868 0.006 0.000 0.920 253 T HN -0.072 nan 8.240 nan 0.000 0.537 254 D N 2.078 122.479 120.400 0.002 0.000 2.506 254 D HA 0.378 5.018 4.640 -0.000 0.000 0.234 254 D C 0.012 176.311 176.300 -0.002 0.000 1.143 254 D CA 0.470 54.469 54.000 -0.001 0.000 0.871 254 D CB 0.569 41.367 40.800 -0.003 0.000 1.190 254 D HN 0.719 nan 8.370 nan 0.000 0.459 255 A N 1.971 124.788 122.820 -0.005 0.000 2.589 255 A HA 0.607 4.926 4.320 -0.000 0.000 0.296 255 A C -0.853 176.719 177.584 -0.020 0.000 1.062 255 A CA -0.791 51.242 52.037 -0.007 0.000 0.686 255 A CB 1.921 20.922 19.000 0.003 0.000 1.282 255 A HN 0.426 nan 8.150 nan 0.000 0.404 256 K N 2.112 122.492 120.400 -0.033 0.000 2.535 256 K HA 0.574 4.894 4.320 -0.000 0.000 0.251 256 K C -1.393 175.149 176.600 -0.096 0.000 0.942 256 K CA -0.600 55.652 56.287 -0.059 0.000 0.798 256 K CB 1.325 33.795 32.500 -0.050 0.000 1.267 256 K HN 0.695 nan 8.250 nan 0.000 0.434 257 I N 2.926 123.395 120.570 -0.169 0.000 2.648 257 I HA 0.008 4.178 4.170 -0.000 0.000 0.284 257 I C 0.460 176.439 176.117 -0.231 0.000 1.153 257 I CA -0.021 61.097 61.300 -0.304 0.000 1.426 257 I CB 0.469 38.105 38.000 -0.608 0.000 1.381 257 I HN 0.448 nan 8.210 nan 0.000 0.571 258 N N 7.208 125.794 118.700 -0.190 0.000 2.936 258 N HA 0.226 4.965 4.740 -0.000 0.000 0.243 258 N C -0.517 174.938 175.510 -0.093 0.000 1.149 258 N CA -0.524 52.461 53.050 -0.109 0.000 0.914 258 N CB 0.525 38.981 38.487 -0.051 0.000 1.179 258 N HN 0.359 nan 8.380 nan 0.000 0.502 259 I N 1.479 121.980 120.570 -0.115 0.000 2.668 259 I HA -0.048 4.121 4.170 -0.000 0.000 0.285 259 I C 1.585 177.694 176.117 -0.013 0.000 1.168 259 I CA 0.804 62.069 61.300 -0.058 0.000 1.424 259 I CB 0.528 38.492 38.000 -0.060 0.000 1.377 259 I HN 0.296 nan 8.210 nan 0.000 0.560 260 T N 3.410 117.976 114.554 0.020 0.000 2.969 260 T HA 0.088 4.438 4.350 -0.000 0.000 0.258 260 T C 0.480 175.197 174.700 0.028 0.000 0.962 260 T CA 0.137 62.249 62.100 0.021 0.000 0.903 260 T CB 0.384 69.268 68.868 0.026 0.000 1.177 260 T HN 0.759 nan 8.240 nan 0.000 0.511 261 S N 0.598 116.323 115.700 0.042 0.000 2.569 261 S HA 0.561 5.031 4.470 -0.000 0.000 0.280 261 S C -2.708 171.919 174.600 0.044 0.000 1.111 261 S CA -1.278 56.945 58.200 0.039 0.000 0.887 261 S CB 2.131 65.356 63.200 0.041 0.000 1.095 261 S HN -0.210 nan 8.310 nan 0.000 0.476 262 P HA -0.065 nan 4.420 nan 0.000 0.220 262 P C 0.698 178.024 177.300 0.044 0.000 1.148 262 P CA 1.431 64.551 63.100 0.033 0.000 0.803 262 P CB -0.203 31.511 31.700 0.023 0.000 0.782 263 D N -0.826 119.601 120.400 0.044 0.000 2.264 263 D HA -0.185 4.455 4.640 -0.000 0.000 0.208 263 D C 1.742 178.084 176.300 0.071 0.000 0.966 263 D CA 0.924 54.950 54.000 0.044 0.000 0.864 263 D CB -0.913 39.905 40.800 0.029 0.000 0.933 263 D HN 0.184 nan 8.370 nan 0.000 0.499 264 Q N 0.058 119.926 119.800 0.114 0.000 2.167 264 Q HA -0.021 4.319 4.340 -0.000 0.000 0.202 264 Q C 2.310 178.476 176.000 0.276 0.000 0.970 264 Q CA 0.704 56.646 55.803 0.232 0.000 0.855 264 Q CB -0.131 28.792 28.738 0.310 0.000 0.911 264 Q HN 0.409 nan 8.270 nan 0.000 0.438 265 L N -0.130 121.185 121.223 0.154 0.000 2.051 265 L HA -0.260 4.080 4.340 -0.000 0.000 0.214 265 L C 2.459 179.406 176.870 0.129 0.000 1.076 265 L CA 0.994 55.906 54.840 0.120 0.000 0.758 265 L CB -0.467 41.629 42.059 0.062 0.000 0.890 265 L HN 0.383 nan 8.230 nan 0.000 0.433 266 M N -0.447 119.210 119.600 0.094 0.000 2.134 266 M HA -0.110 4.370 4.480 -0.000 0.000 0.262 266 M C 2.765 179.098 176.300 0.055 0.000 1.076 266 M CA 1.981 57.319 55.300 0.064 0.000 1.143 266 M CB -1.177 31.445 32.600 0.036 0.000 1.346 266 M HN 0.395 nan 8.290 nan 0.000 0.421 267 S N 0.223 115.942 115.700 0.030 0.000 2.402 267 S HA -0.164 4.306 4.470 -0.000 0.000 0.233 267 S C 1.850 176.366 174.600 -0.141 0.000 1.030 267 S CA 1.344 59.499 58.200 -0.076 0.000 1.003 267 S CB -1.018 62.096 63.200 -0.143 0.000 0.813 267 S HN 0.362 nan 8.310 nan 0.000 0.477 268 F N 1.115 121.069 119.950 0.007 0.000 2.335 268 F HA 0.360 4.886 4.527 -0.000 0.000 0.296 268 F C 2.178 177.984 175.800 0.010 0.000 1.091 268 F CA 0.353 58.357 58.000 0.008 0.000 1.399 268 F CB -0.187 38.817 39.000 0.007 0.000 1.067 268 F HN 0.142 nan 8.300 nan 0.000 0.520 269 L N -0.236 121.093 121.223 0.177 0.000 2.093 269 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 269 L C 2.131 179.044 176.870 0.071 0.000 1.085 269 L CA 1.418 56.322 54.840 0.107 0.000 0.755 269 L CB -0.488 41.617 42.059 0.077 0.000 0.904 269 L HN 0.185 nan 8.230 nan 0.000 0.435 270 E N -0.528 119.699 120.200 0.045 0.000 2.107 270 E HA -0.258 4.092 4.350 -0.000 0.000 0.191 270 E C 2.048 178.654 176.600 0.010 0.000 0.982 270 E CA 0.738 57.150 56.400 0.021 0.000 0.809 270 E CB -0.014 29.685 29.700 -0.001 0.000 0.756 270 E HN 0.304 nan 8.360 nan 0.000 0.459 271 Q N 1.680 121.472 119.800 -0.013 0.000 2.084 271 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 271 Q C 1.658 177.674 176.000 0.027 0.000 0.978 271 Q CA 1.695 57.483 55.803 -0.026 0.000 0.844 271 Q CB 0.006 28.688 28.738 -0.093 0.000 0.898 271 Q HN 0.297 nan 8.270 nan 0.000 0.426 272 E N -0.044 120.194 120.200 0.064 0.000 2.106 272 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 272 E C 1.910 178.552 176.600 0.069 0.000 0.984 272 E CA 0.998 57.442 56.400 0.073 0.000 0.806 272 E CB -0.121 29.630 29.700 0.086 0.000 0.750 272 E HN 0.547 nan 8.360 nan 0.000 0.458 273 E N 1.507 121.748 120.200 0.068 0.000 2.051 273 E HA -0.241 4.108 4.350 -0.000 0.000 0.192 273 E C 2.133 178.786 176.600 0.089 0.000 0.991 273 E CA 1.172 57.625 56.400 0.088 0.000 0.799 273 E CB 0.072 29.818 29.700 0.077 0.000 0.748 273 E HN 0.028 nan 8.360 nan 0.000 0.449 274 K N 0.072 120.501 120.400 0.048 0.000 2.057 274 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 274 K C 2.220 178.840 176.600 0.032 0.000 1.049 274 K CA 1.717 58.017 56.287 0.023 0.000 0.931 274 K CB -0.067 32.433 32.500 0.001 0.000 0.714 274 K HN 0.152 nan 8.250 nan 0.000 0.440 275 M N 0.338 119.962 119.600 0.040 0.000 2.080 275 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 275 M C 2.189 178.528 176.300 0.065 0.000 1.068 275 M CA 1.248 56.574 55.300 0.042 0.000 1.109 275 M CB -0.412 32.214 32.600 0.043 0.000 1.342 275 M HN 0.144 nan 8.290 nan 0.000 0.405 276 L N 0.634 121.912 121.223 0.092 0.000 2.042 276 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 276 L C 2.481 179.459 176.870 0.180 0.000 1.076 276 L CA 1.878 56.797 54.840 0.133 0.000 0.749 276 L CB -0.829 41.322 42.059 0.152 0.000 0.893 276 L HN 0.263 nan 8.230 nan 0.000 0.432 277 K N -0.791 119.701 120.400 0.153 0.000 2.025 277 K HA -0.176 4.143 4.320 -0.000 0.000 0.207 277 K C 1.676 178.289 176.600 0.023 0.000 1.049 277 K CA 1.586 57.888 56.287 0.024 0.000 0.933 277 K CB -0.105 32.269 32.500 -0.210 0.000 0.714 277 K HN 0.263 nan 8.250 nan 0.000 0.438 278 D N 0.813 121.231 120.400 0.030 0.000 2.182 278 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 278 D C 1.952 178.306 176.300 0.090 0.000 0.986 278 D CA 1.284 55.312 54.000 0.046 0.000 0.847 278 D CB -0.086 40.733 40.800 0.031 0.000 0.942 278 D HN 0.348 nan 8.370 nan 0.000 0.467 279 M N -0.011 119.645 119.600 0.093 0.000 2.059 279 M HA -0.142 4.337 4.480 -0.000 0.000 0.259 279 M C 2.409 178.795 176.300 0.144 0.000 1.072 279 M CA 1.036 56.400 55.300 0.107 0.000 1.117 279 M CB -0.385 32.270 32.600 0.090 0.000 1.320 279 M HN -0.108 nan 8.290 nan 0.000 0.408 280 V N 0.635 120.646 119.914 0.162 0.000 2.332 280 V HA -0.287 3.832 4.120 -0.000 0.000 0.248 280 V C 1.850 178.033 176.094 0.148 0.000 1.055 280 V CA 1.954 64.370 62.300 0.194 0.000 1.038 280 V CB -0.840 31.179 31.823 0.326 0.000 0.651 280 V HN 0.405 nan 8.190 nan 0.000 0.450 281 D N -0.939 119.554 120.400 0.154 0.000 2.104 281 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 281 D C 2.055 178.339 176.300 -0.027 0.000 0.994 281 D CA 1.891 55.941 54.000 0.085 0.000 0.830 281 D CB -0.348 40.504 40.800 0.086 0.000 0.959 281 D HN 0.647 nan 8.370 nan 0.000 0.452 282 H N 0.476 119.530 119.070 -0.027 0.000 2.319 282 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 282 H C 2.187 177.476 175.328 -0.064 0.000 1.092 282 H CA 1.500 57.525 56.048 -0.038 0.000 1.302 282 H CB -0.360 29.394 29.762 -0.013 0.000 1.373 282 H HN 0.086 nan 8.280 nan 0.000 0.497 283 I N 0.207 120.760 120.570 -0.029 0.000 2.091 283 I HA -0.350 3.820 4.170 -0.000 0.000 0.239 283 I C 2.794 178.783 176.117 -0.215 0.000 1.061 283 I CA 1.246 62.497 61.300 -0.081 0.000 1.317 283 I CB -0.758 37.239 38.000 -0.004 0.000 1.031 283 I HN 0.466 nan 8.210 nan 0.000 0.401 284 A N 0.324 122.950 122.820 -0.324 0.000 1.915 284 A HA -0.336 3.984 4.320 -0.000 0.000 0.220 284 A C 2.189 179.557 177.584 -0.359 0.000 1.198 284 A CA 2.196 53.929 52.037 -0.506 0.000 0.647 284 A CB -0.946 17.342 19.000 -1.188 0.000 0.825 284 A HN 0.578 nan 8.150 nan 0.000 0.456 285 Q N -0.802 118.802 119.800 -0.328 0.000 2.364 285 Q HA -0.113 4.226 4.340 -0.000 0.000 0.209 285 Q C 1.982 177.847 176.000 -0.224 0.000 0.977 285 Q CA 1.575 57.227 55.803 -0.253 0.000 0.885 285 Q CB -0.434 28.160 28.738 -0.240 0.000 0.941 285 Q HN 0.938 nan 8.270 nan 0.000 0.464 286 T N -4.127 110.282 114.554 -0.241 0.000 3.088 286 T HA 0.176 4.526 4.350 -0.000 0.000 0.259 286 T C 1.448 176.085 174.700 -0.106 0.000 1.122 286 T CA 0.575 62.576 62.100 -0.165 0.000 1.095 286 T CB 0.325 69.108 68.868 -0.140 0.000 0.930 286 T HN 0.412 nan 8.240 nan 0.000 0.508 287 G N 1.107 109.834 108.800 -0.121 0.000 2.157 287 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.248 287 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.248 287 G C 0.262 175.125 174.900 -0.060 0.000 0.979 287 G CA -0.103 44.947 45.100 -0.084 0.000 0.650 287 G HN 1.193 nan 8.290 nan 0.000 0.529 288 A N 0.265 123.045 122.820 -0.068 0.000 2.440 288 A HA 0.583 4.903 4.320 -0.000 0.000 0.251 288 A C 1.025 178.583 177.584 -0.042 0.000 1.089 288 A CA 0.878 52.893 52.037 -0.035 0.000 0.779 288 A CB 0.184 19.168 19.000 -0.027 0.000 1.022 288 A HN 1.116 nan 8.150 nan 0.000 0.492 289 N N 0.370 119.059 118.700 -0.017 0.000 2.171 289 N HA 0.250 4.990 4.740 -0.000 0.000 0.212 289 N C -0.798 174.698 175.510 -0.024 0.000 1.184 289 N CA 0.010 53.049 53.050 -0.019 0.000 0.888 289 N CB 0.702 39.186 38.487 -0.006 0.000 1.038 289 N HN 0.231 nan 8.380 nan 0.000 0.517 290 V N 0.673 120.575 119.914 -0.020 0.000 2.668 290 V HA 0.526 4.646 4.120 -0.000 0.000 0.304 290 V C -1.106 174.960 176.094 -0.047 0.000 1.071 290 V CA -0.893 61.374 62.300 -0.056 0.000 0.894 290 V CB 2.237 34.060 31.823 0.000 0.000 1.008 290 V HN -0.035 nan 8.190 nan 0.000 0.425 291 V N 4.041 123.862 119.914 -0.155 0.000 2.638 291 V HA 0.607 4.726 4.120 -0.000 0.000 0.306 291 V C -1.082 174.865 176.094 -0.245 0.000 1.052 291 V CA -0.652 61.599 62.300 -0.082 0.000 0.885 291 V CB 1.909 33.712 31.823 -0.033 0.000 0.999 291 V HN 0.647 nan 8.190 nan 0.000 0.424 292 F N 2.764 122.721 119.950 0.012 0.000 2.426 292 F HA 0.660 5.186 4.527 -0.000 0.000 0.348 292 F C 0.046 175.855 175.800 0.014 0.000 1.124 292 F CA -0.749 57.257 58.000 0.010 0.000 1.008 292 F CB 2.031 41.032 39.000 0.001 0.000 1.139 292 F HN 0.220 nan 8.300 nan 0.000 0.452 293 V N 4.325 124.320 119.914 0.134 0.000 2.384 293 V HA 0.159 4.279 4.120 -0.000 0.000 0.287 293 V C 0.846 176.995 176.094 0.093 0.000 1.020 293 V CA -0.537 61.820 62.300 0.095 0.000 0.850 293 V CB 1.508 33.364 31.823 0.055 0.000 0.987 293 V HN 0.884 nan 8.190 nan 0.000 0.436 294 Q N 3.970 123.818 119.800 0.079 0.000 2.226 294 Q HA -0.106 4.234 4.340 -0.000 0.000 0.204 294 Q C 0.838 176.866 176.000 0.047 0.000 0.975 294 Q CA 1.529 57.368 55.803 0.061 0.000 0.866 294 Q CB 0.341 29.106 28.738 0.044 0.000 0.915 294 Q HN 0.727 nan 8.270 nan 0.000 0.440 295 K N -1.366 119.060 120.400 0.043 0.000 2.209 295 K HA 0.458 4.777 4.320 -0.000 0.000 0.252 295 K C 0.014 176.634 176.600 0.034 0.000 1.062 295 K CA -0.449 55.858 56.287 0.035 0.000 1.003 295 K CB 0.336 32.854 32.500 0.030 0.000 1.495 295 K HN 0.108 nan 8.250 nan 0.000 0.641 296 G N 0.445 109.262 108.800 0.029 0.000 2.634 296 G HA2 0.431 4.391 3.960 -0.000 0.000 0.255 296 G HA3 0.431 4.391 3.960 -0.000 0.000 0.255 296 G C -0.534 174.385 174.900 0.032 0.000 1.205 296 G CA -0.392 44.724 45.100 0.028 0.000 0.884 296 G HN 0.362 nan 8.290 nan 0.000 0.549 297 I N 1.079 121.668 120.570 0.031 0.000 2.540 297 I HA 0.126 4.295 4.170 -0.000 0.000 0.280 297 I C -0.906 175.232 176.117 0.035 0.000 1.083 297 I CA -0.828 60.494 61.300 0.037 0.000 1.080 297 I CB 1.725 39.746 38.000 0.035 0.000 1.205 297 I HN 0.320 nan 8.210 nan 0.000 0.459 298 D N 4.723 125.145 120.400 0.036 0.000 2.443 298 D HA -0.052 4.588 4.640 -0.000 0.000 0.234 298 D C 0.966 177.280 176.300 0.023 0.000 1.172 298 D CA 0.347 54.364 54.000 0.028 0.000 0.878 298 D CB 1.213 42.030 40.800 0.029 0.000 1.204 298 D HN 0.461 nan 8.370 nan 0.000 0.453 299 D N 0.983 121.391 120.400 0.013 0.000 2.123 299 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 299 D C 2.041 178.325 176.300 -0.026 0.000 0.992 299 D CA 0.548 54.557 54.000 0.015 0.000 0.833 299 D CB 0.061 40.861 40.800 0.000 0.000 0.954 299 D HN 0.334 nan 8.370 nan 0.000 0.455 300 L N 0.765 121.942 121.223 -0.077 0.000 2.042 300 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 300 L C 2.414 179.139 176.870 -0.243 0.000 1.076 300 L CA 1.397 56.107 54.840 -0.217 0.000 0.749 300 L CB -0.379 41.604 42.059 -0.127 0.000 0.893 300 L HN -0.046 nan 8.230 nan 0.000 0.432 301 A N -0.509 122.296 122.820 -0.025 0.000 1.865 301 A HA -0.302 4.018 4.320 -0.000 0.000 0.217 301 A C 2.034 179.642 177.584 0.039 0.000 1.191 301 A CA 1.885 53.971 52.037 0.081 0.000 0.623 301 A CB -0.662 18.394 19.000 0.094 0.000 0.826 301 A HN 0.583 nan 8.150 nan 0.000 0.444 302 Q N -1.513 118.300 119.800 0.021 0.000 2.112 302 Q HA -0.254 4.086 4.340 -0.000 0.000 0.206 302 Q C 2.176 178.107 176.000 -0.115 0.000 0.987 302 Q CA 1.638 57.451 55.803 0.016 0.000 0.858 302 Q CB -0.412 28.396 28.738 0.117 0.000 0.905 302 Q HN 0.890 nan 8.270 nan 0.000 0.420 303 H N -0.394 118.526 119.070 -0.251 0.000 2.353 303 H HA -0.157 4.399 4.556 -0.000 0.000 0.300 303 H C 1.458 176.589 175.328 -0.328 0.000 1.090 303 H CA 1.534 57.350 56.048 -0.388 0.000 1.327 303 H CB 0.141 29.650 29.762 -0.421 0.000 1.383 303 H HN 0.294 nan 8.280 nan 0.000 0.508 304 Y N 0.129 120.418 120.300 -0.018 0.000 2.263 304 Y HA -0.130 4.419 4.550 -0.000 0.000 0.292 304 Y C 2.710 178.570 175.900 -0.068 0.000 1.130 304 Y CA 0.175 58.219 58.100 -0.093 0.000 1.179 304 Y CB -0.440 38.039 38.460 0.032 0.000 0.998 304 Y HN 0.163 nan 8.280 nan 0.000 0.532 305 L N -0.338 120.968 121.223 0.138 0.000 2.046 305 L HA -0.189 4.150 4.340 -0.000 0.000 0.208 305 L C 2.523 179.392 176.870 -0.002 0.000 1.077 305 L CA 1.914 56.829 54.840 0.126 0.000 0.747 305 L CB -1.880 40.211 42.059 0.053 0.000 0.896 305 L HN 0.227 nan 8.230 nan 0.000 0.432 306 A N -0.342 122.357 122.820 -0.202 0.000 1.877 306 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 306 A C 2.302 179.747 177.584 -0.233 0.000 1.186 306 A CA 1.539 53.391 52.037 -0.309 0.000 0.620 306 A CB -0.410 18.148 19.000 -0.737 0.000 0.822 306 A HN 0.355 nan 8.150 nan 0.000 0.443 307 K N -1.684 118.531 120.400 -0.308 0.000 2.280 307 K HA -0.110 4.210 4.320 -0.000 0.000 0.202 307 K C 1.335 177.836 176.600 -0.165 0.000 1.047 307 K CA 1.290 57.414 56.287 -0.271 0.000 0.942 307 K CB -0.246 32.050 32.500 -0.339 0.000 0.739 307 K HN 0.739 nan 8.250 nan 0.000 0.457 308 Y N -0.056 120.206 120.300 -0.064 0.000 2.511 308 Y HA 0.011 4.561 4.550 -0.000 0.000 0.279 308 Y C 1.421 177.294 175.900 -0.045 0.000 1.157 308 Y CA 0.031 58.108 58.100 -0.039 0.000 1.300 308 Y CB 0.765 39.211 38.460 -0.023 0.000 1.052 308 Y HN 0.259 nan 8.280 nan 0.000 0.529 309 G N 1.380 110.228 108.800 0.080 0.000 2.143 309 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.248 309 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.248 309 G C -0.025 174.891 174.900 0.027 0.000 0.991 309 G CA 0.049 45.169 45.100 0.033 0.000 0.689 309 G HN 0.324 nan 8.290 nan 0.000 0.522 310 I N 0.937 121.531 120.570 0.041 0.000 2.325 310 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 310 I C 0.969 177.072 176.117 -0.023 0.000 1.019 310 I CA -0.508 60.797 61.300 0.009 0.000 1.302 310 I CB 1.386 39.399 38.000 0.022 0.000 1.401 310 I HN 0.267 nan 8.210 nan 0.000 0.485 311 M N 6.490 126.062 119.600 -0.046 0.000 2.217 311 M HA 0.571 5.051 4.480 -0.000 0.000 0.354 311 M C -0.595 175.624 176.300 -0.136 0.000 1.225 311 M CA 0.049 55.303 55.300 -0.077 0.000 1.137 311 M CB 0.789 33.340 32.600 -0.082 0.000 1.576 311 M HN 0.739 nan 8.290 nan 0.000 0.461 312 A N 4.692 127.430 122.820 -0.138 0.000 2.455 312 A HA 0.740 5.060 4.320 -0.000 0.000 0.300 312 A C -1.640 175.833 177.584 -0.185 0.000 1.040 312 A CA -0.665 51.263 52.037 -0.181 0.000 0.697 312 A CB 1.705 20.655 19.000 -0.083 0.000 1.265 312 A HN 0.630 nan 8.150 nan 0.000 0.407 313 V N 2.619 122.369 119.914 -0.273 0.000 2.604 313 V HA 0.710 4.830 4.120 -0.000 0.000 0.305 313 V C 0.171 176.232 176.094 -0.056 0.000 1.043 313 V CA -0.677 61.527 62.300 -0.161 0.000 0.888 313 V CB 1.771 33.471 31.823 -0.203 0.000 0.995 313 V HN 1.151 nan 8.190 nan 0.000 0.429 314 R N 2.505 123.005 120.500 -0.000 0.000 2.923 314 R HA 0.823 5.163 4.340 -0.000 0.000 0.252 314 R C -0.246 176.081 176.300 0.045 0.000 1.130 314 R CA -1.042 55.075 56.100 0.028 0.000 1.043 314 R CB 0.634 30.947 30.300 0.022 0.000 1.205 314 R HN 0.319 nan 8.270 nan 0.000 0.495 315 R N -0.489 120.038 120.500 0.044 0.000 3.322 315 R HA -0.117 4.223 4.340 -0.000 0.000 0.253 315 R C -0.909 175.422 176.300 0.051 0.000 0.987 315 R CA 0.687 56.811 56.100 0.041 0.000 0.666 315 R CB -2.020 28.297 30.300 0.029 0.000 1.072 315 R HN 0.427 nan 8.270 nan 0.000 0.447 316 V N 1.177 121.135 119.914 0.073 0.000 2.555 316 V HA 0.071 4.191 4.120 -0.000 0.000 0.286 316 V C 1.236 177.357 176.094 0.045 0.000 1.044 316 V CA -0.371 61.979 62.300 0.083 0.000 1.026 316 V CB 1.319 33.232 31.823 0.150 0.000 0.981 316 V HN 0.244 nan 8.190 nan 0.000 0.480 317 K N 3.025 123.440 120.400 0.025 0.000 2.527 317 K HA -0.063 4.257 4.320 -0.000 0.000 0.278 317 K C 1.146 177.747 176.600 0.002 0.000 0.981 317 K CA -0.063 56.229 56.287 0.009 0.000 1.009 317 K CB 0.467 32.966 32.500 -0.002 0.000 0.895 317 K HN 0.541 nan 8.250 nan 0.000 0.493 318 K N 2.174 122.575 120.400 0.002 0.000 2.044 318 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 318 K C 1.890 178.481 176.600 -0.014 0.000 1.049 318 K CA 2.388 58.674 56.287 -0.002 0.000 0.927 318 K CB -0.370 32.130 32.500 0.001 0.000 0.713 318 K HN 0.634 nan 8.250 nan 0.000 0.443 319 S N -0.411 115.278 115.700 -0.018 0.000 2.423 319 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 319 S C 1.467 176.038 174.600 -0.049 0.000 1.014 319 S CA 1.180 59.363 58.200 -0.029 0.000 0.965 319 S CB -0.270 62.915 63.200 -0.025 0.000 0.785 319 S HN 0.296 nan 8.310 nan 0.000 0.495 320 D N 1.074 121.444 120.400 -0.051 0.000 2.234 320 D HA 0.098 4.737 4.640 -0.000 0.000 0.205 320 D C 1.893 178.125 176.300 -0.113 0.000 0.962 320 D CA 0.744 54.694 54.000 -0.084 0.000 0.855 320 D CB -0.179 40.580 40.800 -0.069 0.000 0.951 320 D HN 0.316 nan 8.370 nan 0.000 0.500 321 M N 0.531 120.087 119.600 -0.073 0.000 2.175 321 M HA -0.071 4.409 4.480 -0.000 0.000 0.264 321 M C 1.859 178.111 176.300 -0.080 0.000 1.063 321 M CA 1.149 56.405 55.300 -0.073 0.000 1.119 321 M CB -0.745 31.843 32.600 -0.019 0.000 1.377 321 M HN 0.098 nan 8.290 nan 0.000 0.415 322 E N 0.030 120.193 120.200 -0.062 0.000 2.106 322 E HA -0.158 4.191 4.350 -0.000 0.000 0.192 322 E C 2.068 178.624 176.600 -0.073 0.000 0.984 322 E CA 0.861 57.228 56.400 -0.055 0.000 0.806 322 E CB -0.037 29.638 29.700 -0.040 0.000 0.750 322 E HN 0.510 nan 8.360 nan 0.000 0.458 323 K N 0.698 121.041 120.400 -0.094 0.000 2.057 323 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 323 K C 2.316 178.838 176.600 -0.130 0.000 1.050 323 K CA 0.806 57.029 56.287 -0.107 0.000 0.935 323 K CB -0.199 32.229 32.500 -0.121 0.000 0.715 323 K HN 0.118 nan 8.250 nan 0.000 0.439 324 L N 0.841 121.956 121.223 -0.181 0.000 2.042 324 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 324 L C 2.659 179.443 176.870 -0.142 0.000 1.076 324 L CA 1.264 55.964 54.840 -0.233 0.000 0.749 324 L CB -0.664 41.155 42.059 -0.401 0.000 0.893 324 L HN 0.194 nan 8.230 nan 0.000 0.432 325 A N 0.135 122.894 122.820 -0.102 0.000 1.865 325 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 325 A C 2.339 179.898 177.584 -0.042 0.000 1.191 325 A CA 1.907 53.911 52.037 -0.055 0.000 0.623 325 A CB -0.431 18.546 19.000 -0.038 0.000 0.826 325 A HN 0.314 nan 8.150 nan 0.000 0.444 326 K N -0.560 119.811 120.400 -0.048 0.000 2.147 326 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 326 K C 2.219 178.799 176.600 -0.034 0.000 1.049 326 K CA 0.959 57.225 56.287 -0.036 0.000 0.936 326 K CB -0.235 32.242 32.500 -0.040 0.000 0.722 326 K HN 0.480 nan 8.250 nan 0.000 0.446 327 A N 0.934 123.722 122.820 -0.053 0.000 1.843 327 A HA -0.114 4.206 4.320 -0.000 0.000 0.213 327 A C 2.253 179.824 177.584 -0.022 0.000 1.202 327 A CA 1.889 53.898 52.037 -0.046 0.000 0.607 327 A CB -0.929 18.026 19.000 -0.075 0.000 0.847 327 A HN 0.407 nan 8.150 nan 0.000 0.445 328 T N -4.294 110.240 114.554 -0.034 0.000 3.055 328 T HA 0.358 4.708 4.350 -0.000 0.000 0.265 328 T C 1.551 176.275 174.700 0.040 0.000 1.111 328 T CA 1.333 63.432 62.100 -0.001 0.000 1.118 328 T CB 0.089 68.940 68.868 -0.028 0.000 0.909 328 T HN 1.755 nan 8.240 nan 0.000 0.501 329 G N 1.397 110.209 108.800 0.021 0.000 2.258 329 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.233 329 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.233 329 G C 0.489 175.405 174.900 0.026 0.000 1.006 329 G CA -0.062 45.056 45.100 0.031 0.000 0.620 329 G HN 1.244 nan 8.290 nan 0.000 0.511 330 A N 0.498 123.333 122.820 0.025 0.000 2.547 330 A HA 0.472 4.792 4.320 -0.000 0.000 0.233 330 A C 0.552 178.146 177.584 0.016 0.000 1.067 330 A CA 1.049 53.103 52.037 0.027 0.000 0.763 330 A CB 0.178 19.195 19.000 0.029 0.000 1.007 330 A HN 0.499 nan 8.150 nan 0.000 0.506 331 K N 1.698 122.112 120.400 0.023 0.000 2.274 331 K HA 0.438 4.758 4.320 -0.000 0.000 0.262 331 K C -0.888 175.726 176.600 0.023 0.000 0.961 331 K CA -0.300 55.998 56.287 0.018 0.000 0.833 331 K CB 1.724 34.236 32.500 0.019 0.000 1.102 331 K HN 0.631 nan 8.250 nan 0.000 0.436 332 I N 2.886 123.466 120.570 0.017 0.000 2.618 332 I HA -0.015 4.155 4.170 -0.000 0.000 0.284 332 I C -0.052 176.081 176.117 0.026 0.000 1.146 332 I CA -0.151 61.163 61.300 0.023 0.000 1.425 332 I CB 0.558 38.566 38.000 0.014 0.000 1.383 332 I HN 0.163 nan 8.210 nan 0.000 0.562 333 V N 6.087 126.021 119.914 0.034 0.000 2.448 333 V HA 0.144 4.264 4.120 -0.000 0.000 0.295 333 V C 0.753 176.864 176.094 0.028 0.000 1.025 333 V CA -0.416 61.903 62.300 0.031 0.000 0.859 333 V CB 1.518 33.366 31.823 0.041 0.000 0.988 333 V HN 0.865 nan 8.190 nan 0.000 0.431 334 T N 3.103 117.669 114.554 0.020 0.000 2.643 334 T HA -0.073 4.277 4.350 -0.000 0.000 0.264 334 T C 0.731 175.440 174.700 0.015 0.000 1.045 334 T CA 1.497 63.607 62.100 0.017 0.000 1.155 334 T CB -0.126 68.749 68.868 0.011 0.000 0.863 334 T HN 0.678 nan 8.240 nan 0.000 0.420 335 N N 0.550 119.255 118.700 0.007 0.000 2.430 335 N HA 0.308 5.048 4.740 -0.000 0.000 0.292 335 N C 0.889 176.394 175.510 -0.010 0.000 1.051 335 N CA -0.541 52.506 53.050 -0.004 0.000 0.917 335 N CB 2.292 40.767 38.487 -0.021 0.000 1.164 335 N HN -0.141 nan 8.380 nan 0.000 0.484 336 V N 2.770 122.680 119.914 -0.007 0.000 2.317 336 V HA -0.318 3.802 4.120 -0.000 0.000 0.251 336 V C 2.377 178.401 176.094 -0.116 0.000 1.065 336 V CA 1.745 64.049 62.300 0.008 0.000 1.049 336 V CB -0.473 31.364 31.823 0.023 0.000 0.651 336 V HN 0.770 nan 8.190 nan 0.000 0.450 337 K N 0.075 120.342 120.400 -0.221 0.000 2.113 337 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 337 K C 1.477 177.918 176.600 -0.265 0.000 1.047 337 K CA 1.983 58.038 56.287 -0.387 0.000 0.928 337 K CB -0.202 32.178 32.500 -0.200 0.000 0.716 337 K HN 0.570 nan 8.250 nan 0.000 0.446 338 D N 0.605 120.952 120.400 -0.087 0.000 2.340 338 D HA -0.029 4.611 4.640 -0.000 0.000 0.220 338 D C 0.390 176.731 176.300 0.068 0.000 1.039 338 D CA 0.102 54.100 54.000 -0.004 0.000 0.866 338 D CB 0.146 40.946 40.800 0.001 0.000 0.913 338 D HN 0.255 nan 8.370 nan 0.000 0.523 339 L N 2.219 123.521 121.223 0.132 0.000 2.410 339 L HA 0.088 4.428 4.340 -0.000 0.000 0.273 339 L C 0.398 177.387 176.870 0.198 0.000 1.144 339 L CA 0.413 55.356 54.840 0.171 0.000 0.863 339 L CB 0.565 42.742 42.059 0.198 0.000 1.140 339 L HN -0.004 nan 8.230 nan 0.000 0.463 340 T N 0.852 115.460 114.554 0.091 0.000 2.916 340 T HA 0.466 4.816 4.350 -0.000 0.000 0.292 340 T C -2.227 172.482 174.700 0.015 0.000 1.064 340 T CA -1.707 60.421 62.100 0.048 0.000 1.011 340 T CB 1.864 70.758 68.868 0.044 0.000 1.152 340 T HN 0.253 nan 8.240 nan 0.000 0.510 341 P HA -0.006 nan 4.420 nan 0.000 0.218 341 P C 0.886 178.192 177.300 0.009 0.000 1.149 341 P CA 0.891 63.987 63.100 -0.007 0.000 0.817 341 P CB -0.009 31.680 31.700 -0.018 0.000 0.785 342 E N -0.822 119.385 120.200 0.012 0.000 2.510 342 E HA -0.120 4.230 4.350 -0.000 0.000 0.202 342 E C 0.902 177.515 176.600 0.022 0.000 1.072 342 E CA 0.799 57.208 56.400 0.015 0.000 0.883 342 E CB -0.690 29.017 29.700 0.013 0.000 0.818 342 E HN 0.324 nan 8.360 nan 0.000 0.548 343 D N -0.676 119.740 120.400 0.027 0.000 2.379 343 D HA 0.078 4.717 4.640 -0.000 0.000 0.208 343 D C 0.174 176.498 176.300 0.038 0.000 1.065 343 D CA 0.026 54.045 54.000 0.032 0.000 0.848 343 D CB 0.413 41.236 40.800 0.038 0.000 0.949 343 D HN 0.173 nan 8.370 nan 0.000 0.509 344 L N 0.729 121.976 121.223 0.039 0.000 2.395 344 L HA 0.441 4.781 4.340 -0.000 0.000 0.269 344 L C 1.237 178.146 176.870 0.065 0.000 1.133 344 L CA -0.474 54.397 54.840 0.051 0.000 0.812 344 L CB 1.097 43.184 42.059 0.046 0.000 1.125 344 L HN -0.115 nan 8.230 nan 0.000 0.452 345 G N 0.559 109.403 108.800 0.074 0.000 2.521 345 G HA2 0.432 4.392 3.960 -0.000 0.000 0.323 345 G HA3 0.432 4.392 3.960 -0.000 0.000 0.323 345 G C -1.976 173.003 174.900 0.132 0.000 1.211 345 G CA -0.252 44.899 45.100 0.085 0.000 0.979 345 G HN 0.475 nan 8.290 nan 0.000 0.490 346 Y N -0.362 119.948 120.300 0.018 0.000 2.499 346 Y HA 0.671 5.221 4.550 -0.000 0.000 0.347 346 Y C -0.335 175.579 175.900 0.023 0.000 0.987 346 Y CA -0.894 57.219 58.100 0.021 0.000 1.044 346 Y CB 2.143 40.611 38.460 0.013 0.000 1.245 346 Y HN 0.837 nan 8.280 nan 0.000 0.461 347 A N 4.741 126.874 122.820 -1.144 0.000 2.488 347 A HA 0.333 4.653 4.320 -0.000 0.000 0.295 347 A C 0.138 177.138 177.584 -0.974 0.000 1.045 347 A CA -0.419 51.146 52.037 -0.787 0.000 0.703 347 A CB 1.375 20.197 19.000 -0.296 0.000 1.271 347 A HN 0.952 nan 8.150 nan 0.000 0.400 348 E N 0.741 120.612 120.200 -0.548 0.000 2.153 348 E HA 0.037 4.386 4.350 -0.000 0.000 0.194 348 E C -0.124 176.406 176.600 -0.117 0.000 0.988 348 E CA 1.615 57.901 56.400 -0.190 0.000 0.811 348 E CB 0.127 29.836 29.700 0.015 0.000 0.746 348 E HN 0.521 nan 8.360 nan 0.000 0.466 349 V N 0.188 120.037 119.914 -0.107 0.000 2.924 349 V HA 0.267 4.387 4.120 -0.000 0.000 0.300 349 V C -1.243 174.846 176.094 -0.009 0.000 1.227 349 V CA -0.891 61.383 62.300 -0.043 0.000 0.954 349 V CB 2.312 34.126 31.823 -0.014 0.000 1.055 349 V HN -0.165 nan 8.190 nan 0.000 0.429 350 V N 4.401 124.326 119.914 0.018 0.000 2.524 350 V HA 0.696 4.815 4.120 -0.000 0.000 0.297 350 V C -0.582 175.559 176.094 0.079 0.000 1.035 350 V CA -0.354 61.993 62.300 0.079 0.000 0.867 350 V CB 1.734 33.614 31.823 0.095 0.000 1.004 350 V HN 1.074 nan 8.190 nan 0.000 0.426 351 E N 2.560 122.831 120.200 0.119 0.000 2.392 351 E HA 0.560 4.910 4.350 -0.000 0.000 0.279 351 E C -1.037 175.650 176.600 0.144 0.000 0.964 351 E CA -0.954 55.500 56.400 0.089 0.000 0.777 351 E CB 2.207 31.925 29.700 0.030 0.000 1.249 351 E HN 0.518 nan 8.360 nan 0.000 0.449 352 E N 1.473 121.733 120.200 0.101 0.000 2.373 352 E HA 0.278 4.627 4.350 -0.000 0.000 0.267 352 E C -0.842 175.818 176.600 0.101 0.000 1.032 352 E CA -0.193 56.279 56.400 0.119 0.000 0.889 352 E CB 0.896 30.637 29.700 0.067 0.000 0.984 352 E HN 0.396 nan 8.360 nan 0.000 0.425 353 R N 2.406 122.999 120.500 0.155 0.000 2.604 353 R HA 0.255 4.595 4.340 -0.000 0.000 0.270 353 R C -1.346 175.029 176.300 0.125 0.000 1.052 353 R CA -0.666 55.475 56.100 0.068 0.000 0.902 353 R CB 1.297 31.523 30.300 -0.123 0.000 1.233 353 R HN 0.328 nan 8.270 nan 0.000 0.455 354 K N 2.934 123.370 120.400 0.059 0.000 2.227 354 K HA 0.397 4.717 4.320 -0.000 0.000 0.280 354 K C -1.103 175.539 176.600 0.070 0.000 1.041 354 K CA -0.596 55.731 56.287 0.067 0.000 0.905 354 K CB 0.991 33.512 32.500 0.035 0.000 1.068 354 K HN 0.181 nan 8.250 nan 0.000 0.470 355 L N 2.210 123.489 121.223 0.093 0.000 2.343 355 L HA 0.312 4.651 4.340 -0.000 0.000 0.278 355 L C -0.062 176.841 176.870 0.055 0.000 0.996 355 L CA 0.114 55.006 54.840 0.087 0.000 0.831 355 L CB 1.527 43.670 42.059 0.141 0.000 1.232 355 L HN 0.847 nan 8.230 nan 0.000 0.413 356 A N 3.249 126.092 122.820 0.038 0.000 2.560 356 A HA 0.087 4.407 4.320 -0.000 0.000 0.299 356 A C 1.566 179.164 177.584 0.024 0.000 1.484 356 A CA 1.645 53.697 52.037 0.026 0.000 0.749 356 A CB -1.850 17.164 19.000 0.024 0.000 1.072 356 A HN 1.929 nan 8.150 nan 0.000 0.426 357 G N -1.585 107.229 108.800 0.024 0.000 3.909 357 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 357 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 357 G C 0.083 174.999 174.900 0.027 0.000 1.404 357 G CA 0.861 45.973 45.100 0.021 0.000 0.905 357 G HN 1.552 nan 8.290 nan 0.000 0.589 358 E N 2.598 122.816 120.200 0.030 0.000 2.452 358 E HA 0.360 4.710 4.350 -0.000 0.000 0.261 358 E C 0.634 177.266 176.600 0.053 0.000 0.987 358 E CA 0.053 56.474 56.400 0.034 0.000 0.926 358 E CB 0.286 30.003 29.700 0.029 0.000 0.934 358 E HN 0.468 nan 8.360 nan 0.000 0.452 359 N N 2.489 121.219 118.700 0.050 0.000 2.503 359 N HA 0.335 5.075 4.740 -0.000 0.000 0.267 359 N C -0.275 175.285 175.510 0.083 0.000 1.214 359 N CA 0.219 53.312 53.050 0.071 0.000 0.959 359 N CB 0.624 39.143 38.487 0.053 0.000 1.142 359 N HN 0.369 nan 8.380 nan 0.000 0.455 360 M N 1.436 121.116 119.600 0.133 0.000 2.471 360 M HA 0.363 4.843 4.480 -0.000 0.000 0.284 360 M C -1.251 175.150 176.300 0.168 0.000 1.203 360 M CA -0.728 54.630 55.300 0.097 0.000 0.915 360 M CB 2.172 34.794 32.600 0.036 0.000 1.734 360 M HN 0.119 nan 8.290 nan 0.000 0.485 361 I N 2.006 122.624 120.570 0.081 0.000 2.365 361 I HA 0.422 4.592 4.170 -0.000 0.000 0.291 361 I C -0.934 175.225 176.117 0.071 0.000 1.004 361 I CA -0.175 61.224 61.300 0.164 0.000 1.311 361 I CB 0.568 38.685 38.000 0.195 0.000 1.401 361 I HN 0.502 nan 8.210 nan 0.000 0.491 362 F N 5.040 125.026 119.950 0.060 0.000 2.449 362 F HA 0.380 4.907 4.527 -0.000 0.000 0.342 362 F C 0.199 176.019 175.800 0.034 0.000 1.127 362 F CA -0.764 57.255 58.000 0.033 0.000 0.975 362 F CB 1.726 40.735 39.000 0.015 0.000 1.146 362 F HN -0.006 nan 8.300 nan 0.000 0.444 363 V N 4.587 124.577 119.914 0.128 0.000 2.257 363 V HA 0.298 4.418 4.120 -0.000 0.000 0.269 363 V C -0.235 175.880 176.094 0.035 0.000 1.040 363 V CA -0.557 61.781 62.300 0.062 0.000 0.813 363 V CB 0.336 32.139 31.823 -0.034 0.000 1.065 363 V HN 0.774 nan 8.190 nan 0.000 0.457 364 E N 2.544 122.775 120.200 0.050 0.000 2.339 364 E HA 0.721 5.070 4.350 -0.000 0.000 0.262 364 E C 0.608 177.203 176.600 -0.008 0.000 0.934 364 E CA -0.605 55.817 56.400 0.036 0.000 0.802 364 E CB 2.064 31.814 29.700 0.083 0.000 1.275 364 E HN 0.642 nan 8.360 nan 0.000 0.427 365 G N 0.211 109.016 108.800 0.010 0.000 2.176 365 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.252 365 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.252 365 G C 0.101 175.023 174.900 0.037 0.000 1.024 365 G CA 0.025 45.139 45.100 0.023 0.000 0.755 365 G HN 0.584 nan 8.290 nan 0.000 0.507 366 C N 0.252 119.565 119.300 0.021 0.000 2.676 366 C HA 0.361 4.821 4.460 -0.000 0.000 0.416 366 C C 2.231 177.292 174.990 0.119 0.000 1.299 366 C CA 0.287 59.341 59.018 0.060 0.000 2.048 366 C CB 1.277 29.027 27.740 0.018 0.000 2.713 366 C HN 0.687 nan 8.230 nan 0.000 0.624 367 K N 2.041 122.555 120.400 0.191 0.000 1.971 367 K HA -0.192 4.128 4.320 -0.000 0.000 0.221 367 K C 0.754 177.393 176.600 0.066 0.000 1.050 367 K CA 1.919 58.280 56.287 0.124 0.000 0.967 367 K CB -0.171 32.386 32.500 0.095 0.000 0.733 367 K HN 0.841 nan 8.250 nan 0.000 0.445 368 N N 0.837 119.568 118.700 0.052 0.000 2.791 368 N HA 0.242 4.982 4.740 -0.000 0.000 0.265 368 N C -2.754 172.769 175.510 0.022 0.000 1.580 368 N CA -1.557 51.511 53.050 0.031 0.000 0.809 368 N CB 1.202 39.704 38.487 0.024 0.000 1.178 368 N HN 0.051 nan 8.380 nan 0.000 0.499 369 P HA 0.001 nan 4.420 nan 0.000 0.265 369 P C -0.202 177.092 177.300 -0.010 0.000 1.187 369 P CA 0.040 63.138 63.100 -0.003 0.000 0.766 369 P CB 1.280 32.972 31.700 -0.014 0.000 0.820 370 K N 0.866 121.256 120.400 -0.017 0.000 2.358 370 K HA 0.438 4.758 4.320 -0.000 0.000 0.200 370 K C 0.107 176.686 176.600 -0.035 0.000 1.030 370 K CA -0.090 56.187 56.287 -0.018 0.000 1.097 370 K CB 0.355 32.848 32.500 -0.011 0.000 0.862 370 K HN 0.598 nan 8.250 nan 0.000 0.534 371 A N -0.274 122.517 122.820 -0.049 0.000 2.488 371 A HA 0.690 5.009 4.320 -0.000 0.000 0.298 371 A C -1.332 176.203 177.584 -0.081 0.000 1.044 371 A CA -0.613 51.381 52.037 -0.072 0.000 0.693 371 A CB 1.537 20.489 19.000 -0.079 0.000 1.272 371 A HN -0.072 nan 8.150 nan 0.000 0.402 372 V N 0.702 120.554 119.914 -0.104 0.000 3.102 372 V HA 0.828 4.948 4.120 -0.000 0.000 0.312 372 V C -0.283 175.721 176.094 -0.150 0.000 1.135 372 V CA -0.371 61.865 62.300 -0.106 0.000 1.022 372 V CB 2.759 34.528 31.823 -0.090 0.000 1.056 372 V HN 0.988 nan 8.190 nan 0.000 0.436 373 T N 3.347 117.824 114.554 -0.128 0.000 2.879 373 T HA 0.588 4.937 4.350 -0.000 0.000 0.290 373 T C -0.692 173.947 174.700 -0.102 0.000 0.993 373 T CA -0.118 61.892 62.100 -0.150 0.000 0.975 373 T CB 1.154 69.945 68.868 -0.128 0.000 0.981 373 T HN 0.372 nan 8.240 nan 0.000 0.439 374 I N 3.434 123.932 120.570 -0.119 0.000 2.312 374 I HA 0.356 4.525 4.170 -0.000 0.000 0.290 374 I C -0.251 175.924 176.117 0.096 0.000 1.008 374 I CA -0.652 60.664 61.300 0.026 0.000 1.226 374 I CB 1.079 39.163 38.000 0.139 0.000 1.371 374 I HN 0.354 nan 8.210 nan 0.000 0.468 375 L N 8.278 129.548 121.223 0.080 0.000 2.260 375 L HA 0.486 4.826 4.340 -0.000 0.000 0.289 375 L C -0.505 176.418 176.870 0.088 0.000 1.057 375 L CA -0.410 54.478 54.840 0.081 0.000 0.811 375 L CB 0.510 42.632 42.059 0.104 0.000 1.184 375 L HN 0.518 nan 8.230 nan 0.000 0.429 376 I N 5.613 126.233 120.570 0.083 0.000 2.321 376 I HA 0.400 4.570 4.170 -0.000 0.000 0.291 376 I C -0.035 176.100 176.117 0.031 0.000 0.998 376 I CA -0.672 60.660 61.300 0.053 0.000 1.227 376 I CB 1.001 39.024 38.000 0.040 0.000 1.368 376 I HN 0.531 nan 8.210 nan 0.000 0.466 377 R N 4.030 124.538 120.500 0.013 0.000 2.828 377 R HA 0.891 5.230 4.340 -0.000 0.000 0.264 377 R C -0.197 176.095 176.300 -0.013 0.000 1.022 377 R CA -0.956 55.147 56.100 0.004 0.000 1.021 377 R CB 2.093 32.394 30.300 0.003 0.000 1.163 377 R HN 0.868 nan 8.270 nan 0.000 0.494 378 G N -1.454 107.341 108.800 -0.007 0.000 2.387 378 G HA2 0.306 4.266 3.960 -0.000 0.000 0.294 378 G HA3 0.306 4.266 3.960 -0.000 0.000 0.294 378 G C 0.320 175.224 174.900 0.007 0.000 1.509 378 G CA -0.251 44.846 45.100 -0.005 0.000 0.806 378 G HN 0.488 nan 8.290 nan 0.000 0.546 379 G N -0.919 107.891 108.800 0.017 0.000 2.432 379 G HA2 0.338 4.298 3.960 -0.000 0.000 0.219 379 G HA3 0.338 4.298 3.960 -0.000 0.000 0.219 379 G C 0.912 175.828 174.900 0.026 0.000 1.135 379 G CA 2.353 47.467 45.100 0.023 0.000 0.767 379 G HN 1.775 nan 8.290 nan 0.000 0.550 380 T N -4.428 110.144 114.554 0.031 0.000 2.821 380 T HA 0.442 4.792 4.350 -0.000 0.000 0.306 380 T C 0.541 175.250 174.700 0.015 0.000 1.313 380 T CA -0.533 61.587 62.100 0.034 0.000 1.012 380 T CB 1.962 70.871 68.868 0.069 0.000 1.298 380 T HN -0.084 nan 8.240 nan 0.000 0.502 381 E N 0.554 120.739 120.200 -0.025 0.000 2.058 381 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 381 E C 1.820 178.349 176.600 -0.118 0.000 0.997 381 E CA 1.702 58.043 56.400 -0.098 0.000 0.801 381 E CB -0.482 29.109 29.700 -0.182 0.000 0.746 381 E HN 0.670 nan 8.360 nan 0.000 0.450 382 H N 0.393 119.462 119.070 -0.001 0.000 2.387 382 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 382 H C 2.360 177.685 175.328 -0.004 0.000 1.099 382 H CA 1.139 57.185 56.048 -0.003 0.000 1.315 382 H CB -0.087 29.674 29.762 -0.001 0.000 1.380 382 H HN -0.006 nan 8.280 nan 0.000 0.513 383 V N 2.161 122.139 119.914 0.107 0.000 2.307 383 V HA -0.230 3.889 4.120 -0.000 0.000 0.245 383 V C 2.732 178.843 176.094 0.030 0.000 1.045 383 V CA 1.805 64.143 62.300 0.064 0.000 1.024 383 V CB -0.622 31.234 31.823 0.055 0.000 0.651 383 V HN 0.442 nan 8.190 nan 0.000 0.449 384 I N -1.726 118.850 120.570 0.009 0.000 2.614 384 I HA -0.121 4.049 4.170 -0.000 0.000 0.258 384 I C 1.878 177.977 176.117 -0.030 0.000 1.189 384 I CA 1.602 62.895 61.300 -0.011 0.000 1.462 384 I CB -0.613 37.379 38.000 -0.013 0.000 1.092 384 I HN 0.192 nan 8.210 nan 0.000 0.442 385 D N 1.597 121.982 120.400 -0.025 0.000 2.123 385 D HA -0.178 4.462 4.640 -0.000 0.000 0.200 385 D C 2.030 178.309 176.300 -0.034 0.000 0.976 385 D CA 1.418 55.396 54.000 -0.036 0.000 0.831 385 D CB -0.024 40.760 40.800 -0.027 0.000 0.974 385 D HN 0.458 nan 8.370 nan 0.000 0.469 386 E N 0.376 120.572 120.200 -0.006 0.000 2.427 386 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 386 E C 1.680 178.261 176.600 -0.032 0.000 1.028 386 E CA 0.192 56.586 56.400 -0.011 0.000 0.864 386 E CB 0.134 29.843 29.700 0.016 0.000 0.813 386 E HN -0.024 nan 8.360 nan 0.000 0.514 387 V N 0.250 120.140 119.914 -0.040 0.000 2.500 387 V HA -0.084 4.036 4.120 -0.000 0.000 0.243 387 V C 2.255 178.269 176.094 -0.134 0.000 1.039 387 V CA 1.635 63.904 62.300 -0.051 0.000 1.053 387 V CB -0.265 31.543 31.823 -0.025 0.000 0.695 387 V HN 0.348 nan 8.190 nan 0.000 0.463 388 E N 0.312 120.407 120.200 -0.174 0.000 2.118 388 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 388 E C 2.414 178.798 176.600 -0.360 0.000 0.992 388 E CA 1.273 57.465 56.400 -0.347 0.000 0.804 388 E CB 0.035 29.577 29.700 -0.263 0.000 0.741 388 E HN 0.510 nan 8.360 nan 0.000 0.458 389 R N -0.110 120.274 120.500 -0.194 0.000 2.062 389 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 389 R C 2.487 178.709 176.300 -0.130 0.000 1.128 389 R CA 0.980 56.994 56.100 -0.144 0.000 0.960 389 R CB -0.351 29.903 30.300 -0.076 0.000 0.855 389 R HN 0.136 nan 8.270 nan 0.000 0.432 390 A N 1.376 124.136 122.820 -0.101 0.000 1.908 390 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 390 A C 2.070 179.607 177.584 -0.078 0.000 1.181 390 A CA 1.262 53.261 52.037 -0.064 0.000 0.627 390 A CB -0.455 18.524 19.000 -0.034 0.000 0.818 390 A HN 0.120 nan 8.150 nan 0.000 0.445 391 L N -0.027 121.105 121.223 -0.151 0.000 2.093 391 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 391 L C 2.334 179.126 176.870 -0.130 0.000 1.085 391 L CA 1.955 56.706 54.840 -0.149 0.000 0.755 391 L CB -0.885 41.002 42.059 -0.286 0.000 0.904 391 L HN 0.508 nan 8.230 nan 0.000 0.435 392 E N -0.726 119.316 120.200 -0.264 0.000 2.077 392 E HA -0.222 4.127 4.350 -0.000 0.000 0.193 392 E C 1.682 178.290 176.600 0.013 0.000 0.989 392 E CA 1.339 57.686 56.400 -0.089 0.000 0.800 392 E CB -0.062 29.566 29.700 -0.121 0.000 0.746 392 E HN 0.538 nan 8.360 nan 0.000 0.452 393 D N 0.563 120.954 120.400 -0.016 0.000 2.097 393 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 393 D C 1.998 178.313 176.300 0.024 0.000 0.984 393 D CA 1.194 55.198 54.000 0.006 0.000 0.826 393 D CB -0.335 40.462 40.800 -0.005 0.000 0.973 393 D HN 0.127 nan 8.370 nan 0.000 0.460 394 A N 1.137 123.972 122.820 0.025 0.000 1.903 394 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 394 A C 2.608 180.225 177.584 0.056 0.000 1.191 394 A CA 1.720 53.780 52.037 0.039 0.000 0.638 394 A CB -1.008 18.018 19.000 0.044 0.000 0.823 394 A HN 0.153 nan 8.150 nan 0.000 0.451 395 V N 0.252 120.222 119.914 0.094 0.000 2.287 395 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 395 V C 2.701 178.832 176.094 0.062 0.000 1.053 395 V CA 2.366 64.727 62.300 0.102 0.000 1.027 395 V CB -0.558 31.381 31.823 0.193 0.000 0.646 395 V HN 0.523 nan 8.190 nan 0.000 0.447 396 K N -0.289 120.148 120.400 0.061 0.000 2.097 396 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 396 K C 2.107 178.724 176.600 0.028 0.000 1.049 396 K CA 1.337 57.649 56.287 0.042 0.000 0.933 396 K CB -0.641 31.882 32.500 0.039 0.000 0.717 396 K HN 0.349 nan 8.250 nan 0.000 0.442 397 V N 0.465 120.395 119.914 0.026 0.000 2.453 397 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 397 V C 2.333 178.435 176.094 0.015 0.000 1.048 397 V CA 1.089 63.400 62.300 0.019 0.000 1.049 397 V CB 0.091 31.925 31.823 0.018 0.000 0.672 397 V HN 0.027 nan 8.190 nan 0.000 0.457 398 V N 0.107 120.030 119.914 0.014 0.000 2.358 398 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 398 V C 2.408 178.497 176.094 -0.008 0.000 1.047 398 V CA 2.449 64.750 62.300 0.001 0.000 1.035 398 V CB -0.607 31.215 31.823 -0.001 0.000 0.658 398 V HN 0.612 nan 8.190 nan 0.000 0.452 399 K N 0.004 120.403 120.400 -0.000 0.000 2.032 399 K HA -0.261 4.059 4.320 -0.000 0.000 0.209 399 K C 1.847 178.453 176.600 0.010 0.000 1.048 399 K CA 2.148 58.435 56.287 -0.001 0.000 0.927 399 K CB -0.351 32.156 32.500 0.012 0.000 0.712 399 K HN 0.446 nan 8.250 nan 0.000 0.441 400 D N 0.464 120.873 120.400 0.015 0.000 2.133 400 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 400 D C 2.016 178.328 176.300 0.021 0.000 0.997 400 D CA 1.413 55.425 54.000 0.019 0.000 0.840 400 D CB -0.261 40.550 40.800 0.018 0.000 0.947 400 D HN 0.116 nan 8.370 nan 0.000 0.452 401 V N 0.985 120.907 119.914 0.014 0.000 2.307 401 V HA -0.197 3.922 4.120 -0.000 0.000 0.245 401 V C 2.544 178.653 176.094 0.024 0.000 1.045 401 V CA 1.217 63.527 62.300 0.017 0.000 1.024 401 V CB -0.366 31.462 31.823 0.008 0.000 0.651 401 V HN 0.198 nan 8.190 nan 0.000 0.449 402 M N -0.623 118.979 119.600 0.003 0.000 2.358 402 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 402 M C 1.990 178.359 176.300 0.114 0.000 1.064 402 M CA 1.608 56.911 55.300 0.005 0.000 1.093 402 M CB -0.301 32.215 32.600 -0.140 0.000 1.401 402 M HN 0.455 nan 8.290 nan 0.000 0.440 403 E N -0.402 119.846 120.200 0.081 0.000 2.276 403 E HA -0.074 4.275 4.350 -0.000 0.000 0.193 403 E C 0.911 177.553 176.600 0.069 0.000 0.983 403 E CA 0.552 57.007 56.400 0.093 0.000 0.861 403 E CB 0.264 30.003 29.700 0.064 0.000 0.817 403 E HN 0.457 nan 8.360 nan 0.000 0.485 404 D N -0.378 120.055 120.400 0.054 0.000 2.379 404 D HA 0.057 4.697 4.640 -0.000 0.000 0.218 404 D C 1.230 177.555 176.300 0.042 0.000 1.006 404 D CA 0.958 54.982 54.000 0.040 0.000 0.893 404 D CB 0.418 41.235 40.800 0.029 0.000 1.019 404 D HN 0.218 nan 8.370 nan 0.000 0.503 405 G N 0.623 109.452 108.800 0.049 0.000 2.198 405 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.260 405 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.260 405 G C 0.226 175.145 174.900 0.032 0.000 1.025 405 G CA 0.510 45.638 45.100 0.047 0.000 0.769 405 G HN 0.674 nan 8.290 nan 0.000 0.507 406 A N -1.277 121.559 122.820 0.027 0.000 2.422 406 A HA 0.938 5.258 4.320 -0.000 0.000 0.302 406 A C -0.468 177.127 177.584 0.019 0.000 1.041 406 A CA -0.153 51.897 52.037 0.021 0.000 0.708 406 A CB 2.591 21.602 19.000 0.018 0.000 1.257 406 A HN 1.277 nan 8.150 nan 0.000 0.414 407 V N 1.916 121.840 119.914 0.017 0.000 3.159 407 V HA 0.693 4.813 4.120 -0.000 0.000 0.308 407 V C -0.744 175.360 176.094 0.017 0.000 1.190 407 V CA -0.469 61.841 62.300 0.017 0.000 1.037 407 V CB 2.233 34.066 31.823 0.017 0.000 1.060 407 V HN 0.886 nan 8.190 nan 0.000 0.437 408 L N 2.801 124.034 121.223 0.017 0.000 2.409 408 L HA 0.616 4.956 4.340 -0.000 0.000 0.255 408 L C -2.662 174.221 176.870 0.022 0.000 1.027 408 L CA -1.746 53.106 54.840 0.020 0.000 0.834 408 L CB 3.168 45.238 42.059 0.018 0.000 1.426 408 L HN 0.434 nan 8.230 nan 0.000 0.411 409 P HA 0.291 nan 4.420 nan 0.000 0.276 409 P C -0.950 176.365 177.300 0.024 0.000 1.261 409 P CA -0.159 62.958 63.100 0.030 0.000 0.800 409 P CB 1.877 33.602 31.700 0.042 0.000 1.066 410 A N 0.551 123.384 122.820 0.021 0.000 3.792 410 A HA 0.653 4.972 4.320 -0.000 0.000 0.176 410 A C 1.316 178.903 177.584 0.005 0.000 1.354 410 A CA 0.174 52.217 52.037 0.009 0.000 1.480 410 A CB -0.969 18.034 19.000 0.006 0.000 1.585 410 A HN 0.632 nan 8.150 nan 0.000 0.640 411 G N -1.871 106.924 108.800 -0.009 0.000 2.225 411 G HA2 0.133 4.093 3.960 -0.000 0.000 0.272 411 G HA3 0.133 4.093 3.960 -0.000 0.000 0.272 411 G C 1.743 176.628 174.900 -0.024 0.000 0.996 411 G CA 1.644 46.733 45.100 -0.018 0.000 0.710 411 G HN 2.566 nan 8.290 nan 0.000 0.522 412 G N -1.452 107.331 108.800 -0.029 0.000 2.217 412 G HA2 0.076 4.036 3.960 -0.000 0.000 0.246 412 G HA3 0.076 4.036 3.960 -0.000 0.000 0.246 412 G C 1.793 176.660 174.900 -0.055 0.000 0.990 412 G CA 1.306 46.378 45.100 -0.046 0.000 0.627 412 G HN 1.999 nan 8.290 nan 0.000 0.522 413 A N 1.565 124.374 122.820 -0.018 0.000 1.896 413 A HA 0.021 4.341 4.320 -0.000 0.000 0.220 413 A C 0.610 178.176 177.584 -0.029 0.000 1.206 413 A CA 2.911 54.954 52.037 0.009 0.000 0.647 413 A CB -1.405 17.655 19.000 0.099 0.000 0.828 413 A HN 0.490 nan 8.150 nan 0.000 0.455 414 P HA -0.129 nan 4.420 nan 0.000 0.214 414 P C 1.046 178.321 177.300 -0.042 0.000 1.163 414 P CA 1.635 64.731 63.100 -0.006 0.000 0.883 414 P CB -0.128 31.573 31.700 0.000 0.000 0.788 415 E N -0.815 119.351 120.200 -0.056 0.000 2.160 415 E HA -0.150 4.199 4.350 -0.000 0.000 0.195 415 E C 1.967 178.506 176.600 -0.101 0.000 0.991 415 E CA 0.953 57.312 56.400 -0.068 0.000 0.810 415 E CB -0.891 28.765 29.700 -0.073 0.000 0.742 415 E HN 0.272 nan 8.360 nan 0.000 0.466 416 I N 0.333 120.803 120.570 -0.167 0.000 2.202 416 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 416 I C 2.432 178.377 176.117 -0.287 0.000 1.091 416 I CA 1.155 62.295 61.300 -0.268 0.000 1.368 416 I CB -0.149 37.587 38.000 -0.439 0.000 1.058 416 I HN 0.077 nan 8.210 nan 0.000 0.410 417 E N 1.468 121.492 120.200 -0.293 0.000 2.038 417 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 417 E C 2.058 178.646 176.600 -0.018 0.000 1.000 417 E CA 1.664 58.023 56.400 -0.068 0.000 0.803 417 E CB -0.352 29.402 29.700 0.090 0.000 0.750 417 E HN 0.167 nan 8.360 nan 0.000 0.448 418 L N 0.514 121.726 121.223 -0.018 0.000 2.043 418 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 418 L C 2.397 179.282 176.870 0.025 0.000 1.075 418 L CA 2.240 57.087 54.840 0.011 0.000 0.752 418 L CB -1.236 40.834 42.059 0.020 0.000 0.891 418 L HN 0.322 nan 8.230 nan 0.000 0.432 419 A N -1.102 121.715 122.820 -0.005 0.000 1.969 419 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 419 A C 2.278 179.874 177.584 0.021 0.000 1.169 419 A CA 1.662 53.704 52.037 0.009 0.000 0.635 419 A CB -0.598 18.384 19.000 -0.029 0.000 0.810 419 A HN 0.436 nan 8.150 nan 0.000 0.445 420 I N -1.172 119.403 120.570 0.008 0.000 2.235 420 I HA -0.178 3.992 4.170 -0.000 0.000 0.241 420 I C 2.698 178.847 176.117 0.054 0.000 1.085 420 I CA 0.755 62.075 61.300 0.032 0.000 1.378 420 I CB -0.362 37.664 38.000 0.043 0.000 1.076 420 I HN 0.201 nan 8.210 nan 0.000 0.415 421 R N 1.141 121.672 120.500 0.052 0.000 2.082 421 R HA -0.125 4.214 4.340 -0.000 0.000 0.234 421 R C 2.310 178.662 176.300 0.086 0.000 1.136 421 R CA 1.450 57.585 56.100 0.058 0.000 0.935 421 R CB -1.177 29.142 30.300 0.033 0.000 0.842 421 R HN 0.367 nan 8.270 nan 0.000 0.430 422 L N 1.164 122.437 121.223 0.083 0.000 2.129 422 L HA -0.217 4.122 4.340 -0.000 0.000 0.212 422 L C 2.473 179.451 176.870 0.181 0.000 1.087 422 L CA 1.456 56.378 54.840 0.137 0.000 0.757 422 L CB -0.650 41.486 42.059 0.128 0.000 0.896 422 L HN 0.294 nan 8.230 nan 0.000 0.434 423 D N 0.257 120.730 120.400 0.122 0.000 2.117 423 D HA -0.243 4.396 4.640 -0.000 0.000 0.198 423 D C 1.987 178.340 176.300 0.088 0.000 0.982 423 D CA 1.265 55.323 54.000 0.097 0.000 0.828 423 D CB 0.193 41.034 40.800 0.068 0.000 0.967 423 D HN 0.417 nan 8.370 nan 0.000 0.464 424 E N -0.957 119.300 120.200 0.096 0.000 2.106 424 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 424 E C 2.113 178.777 176.600 0.108 0.000 0.984 424 E CA 0.545 56.996 56.400 0.084 0.000 0.806 424 E CB -0.252 29.497 29.700 0.082 0.000 0.750 424 E HN 0.328 nan 8.360 nan 0.000 0.458 425 Y N 0.951 121.257 120.300 0.010 0.000 2.224 425 Y HA -0.203 4.347 4.550 -0.000 0.000 0.289 425 Y C 1.985 177.887 175.900 0.004 0.000 1.146 425 Y CA 1.474 59.575 58.100 0.002 0.000 1.182 425 Y CB -0.671 37.784 38.460 -0.009 0.000 0.983 425 Y HN 0.107 nan 8.280 nan 0.000 0.524 426 A N 0.949 123.741 122.820 -0.047 0.000 1.873 426 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 426 A C 2.229 179.732 177.584 -0.135 0.000 1.193 426 A CA 2.172 54.133 52.037 -0.126 0.000 0.629 426 A CB -0.577 18.423 19.000 0.000 0.000 0.826 426 A HN 0.367 nan 8.150 nan 0.000 0.447 427 K N 0.046 120.409 120.400 -0.062 0.000 2.113 427 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 427 K C 2.054 178.606 176.600 -0.079 0.000 1.047 427 K CA 1.819 58.077 56.287 -0.049 0.000 0.928 427 K CB -0.685 31.807 32.500 -0.013 0.000 0.716 427 K HN 0.753 nan 8.250 nan 0.000 0.446 428 Q N 0.334 120.068 119.800 -0.110 0.000 2.050 428 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 428 Q C 2.197 178.098 176.000 -0.165 0.000 0.980 428 Q CA 1.884 57.617 55.803 -0.117 0.000 0.840 428 Q CB -0.233 28.448 28.738 -0.096 0.000 0.898 428 Q HN 0.341 nan 8.270 nan 0.000 0.424 429 V N -2.197 117.546 119.914 -0.286 0.000 2.488 429 V HA 0.162 4.282 4.120 -0.000 0.000 0.246 429 V C 1.102 177.115 176.094 -0.136 0.000 1.046 429 V CA 1.147 63.306 62.300 -0.236 0.000 1.053 429 V CB -1.103 30.514 31.823 -0.343 0.000 0.679 429 V HN 0.478 nan 8.190 nan 0.000 0.458 430 G N -0.046 108.683 108.800 -0.119 0.000 2.633 430 G HA2 0.240 4.200 3.960 -0.000 0.000 0.263 430 G HA3 0.240 4.200 3.960 -0.000 0.000 0.263 430 G C 0.970 175.838 174.900 -0.053 0.000 1.310 430 G CA 0.265 45.324 45.100 -0.069 0.000 0.914 430 G HN 2.484 nan 8.290 nan 0.000 0.569 431 G N -1.622 107.158 108.800 -0.034 0.000 2.645 431 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.239 431 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.239 431 G C 0.770 175.660 174.900 -0.017 0.000 1.331 431 G CA 0.985 46.070 45.100 -0.024 0.000 0.890 431 G HN 1.426 nan 8.290 nan 0.000 0.572 432 K N 0.371 120.765 120.400 -0.011 0.000 2.296 432 K HA 0.052 4.371 4.320 -0.000 0.000 0.200 432 K C 2.301 178.901 176.600 0.000 0.000 1.048 432 K CA 1.464 57.750 56.287 -0.002 0.000 0.966 432 K CB 0.038 32.540 32.500 0.003 0.000 0.754 432 K HN 0.570 nan 8.250 nan 0.000 0.466 433 E N 1.054 121.249 120.200 -0.008 0.000 2.150 433 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 433 E C 1.862 178.464 176.600 0.003 0.000 0.985 433 E CA 1.027 57.426 56.400 -0.002 0.000 0.814 433 E CB -0.068 29.622 29.700 -0.016 0.000 0.752 433 E HN 0.305 nan 8.360 nan 0.000 0.466 434 A N 0.556 123.363 122.820 -0.021 0.000 2.070 434 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 434 A C 2.014 179.612 177.584 0.024 0.000 1.159 434 A CA 0.873 52.895 52.037 -0.024 0.000 0.656 434 A CB -0.408 18.566 19.000 -0.044 0.000 0.800 434 A HN 0.167 nan 8.150 nan 0.000 0.453 435 L N -1.281 119.962 121.223 0.032 0.000 2.095 435 L HA -0.084 4.256 4.340 -0.000 0.000 0.204 435 L C 3.060 179.992 176.870 0.102 0.000 1.080 435 L CA 0.914 55.785 54.840 0.053 0.000 0.759 435 L CB -0.540 41.539 42.059 0.033 0.000 0.914 435 L HN 0.401 nan 8.230 nan 0.000 0.439 436 A N 0.502 123.387 122.820 0.109 0.000 1.898 436 A HA -0.142 4.177 4.320 -0.000 0.000 0.216 436 A C 2.204 180.024 177.584 0.393 0.000 1.181 436 A CA 1.316 53.480 52.037 0.210 0.000 0.620 436 A CB -0.578 18.468 19.000 0.077 0.000 0.819 436 A HN 0.325 nan 8.150 nan 0.000 0.442 437 I N 0.449 121.161 120.570 0.237 0.000 2.179 437 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 437 I C 2.574 178.818 176.117 0.211 0.000 1.088 437 I CA 1.853 63.277 61.300 0.208 0.000 1.357 437 I CB -0.615 37.447 38.000 0.103 0.000 1.051 437 I HN 0.622 nan 8.210 nan 0.000 0.409 438 E N 0.910 121.201 120.200 0.152 0.000 2.268 438 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 438 E C 1.552 178.237 176.600 0.142 0.000 0.995 438 E CA 1.149 57.625 56.400 0.126 0.000 0.836 438 E CB -0.523 29.225 29.700 0.080 0.000 0.763 438 E HN 0.593 nan 8.360 nan 0.000 0.491 439 N N -0.313 118.504 118.700 0.195 0.000 2.300 439 N HA -0.055 4.685 4.740 -0.000 0.000 0.179 439 N C 1.457 177.065 175.510 0.163 0.000 1.016 439 N CA 0.556 53.720 53.050 0.191 0.000 0.876 439 N CB -0.097 38.545 38.487 0.258 0.000 0.979 439 N HN 0.140 nan 8.380 nan 0.000 0.432 440 F N 2.108 122.061 119.950 0.005 0.000 2.113 440 F HA -0.066 4.461 4.527 -0.000 0.000 0.297 440 F C 2.394 178.117 175.800 -0.128 0.000 1.103 440 F CA 1.170 59.019 58.000 -0.251 0.000 1.248 440 F CB -0.148 38.645 39.000 -0.345 0.000 0.999 440 F HN -0.068 nan 8.300 nan 0.000 0.475 441 A N -0.238 122.736 122.820 0.257 0.000 1.908 441 A HA -0.276 4.043 4.320 -0.000 0.000 0.218 441 A C 1.839 179.440 177.584 0.028 0.000 1.181 441 A CA 2.202 54.331 52.037 0.152 0.000 0.627 441 A CB -1.263 17.819 19.000 0.138 0.000 0.818 441 A HN 0.526 nan 8.150 nan 0.000 0.445 442 D N -0.431 119.983 120.400 0.023 0.000 2.097 442 D HA -0.041 4.599 4.640 -0.000 0.000 0.195 442 D C 2.076 178.339 176.300 -0.061 0.000 0.989 442 D CA 1.677 55.672 54.000 -0.010 0.000 0.827 442 D CB -0.225 40.583 40.800 0.013 0.000 0.966 442 D HN 0.346 nan 8.370 nan 0.000 0.456 443 A N 0.251 123.006 122.820 -0.108 0.000 1.948 443 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 443 A C 2.336 179.806 177.584 -0.189 0.000 1.177 443 A CA 1.195 53.131 52.037 -0.168 0.000 0.636 443 A CB -0.967 17.871 19.000 -0.271 0.000 0.815 443 A HN 0.414 nan 8.150 nan 0.000 0.449 444 L N -0.986 120.112 121.223 -0.209 0.000 2.261 444 L HA -0.192 4.148 4.340 -0.000 0.000 0.216 444 L C 2.094 178.896 176.870 -0.114 0.000 1.114 444 L CA 1.387 56.124 54.840 -0.172 0.000 0.777 444 L CB -0.437 41.544 42.059 -0.130 0.000 0.910 444 L HN 0.383 nan 8.230 nan 0.000 0.440 445 K N 0.285 120.629 120.400 -0.093 0.000 2.515 445 K HA -0.093 4.226 4.320 -0.000 0.000 0.196 445 K C 1.787 178.343 176.600 -0.073 0.000 1.038 445 K CA 0.761 57.002 56.287 -0.076 0.000 0.967 445 K CB -0.154 32.310 32.500 -0.059 0.000 0.780 445 K HN 0.344 nan 8.250 nan 0.000 0.483 446 I N -0.328 120.193 120.570 -0.082 0.000 2.394 446 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 446 I C 1.754 177.829 176.117 -0.069 0.000 1.136 446 I CA 1.043 62.300 61.300 -0.072 0.000 1.425 446 I CB -0.473 37.482 38.000 -0.076 0.000 1.079 446 I HN -0.034 nan 8.210 nan 0.000 0.425 447 I N 1.917 122.442 120.570 -0.075 0.000 2.076 447 I HA -0.152 4.017 4.170 -0.000 0.000 0.237 447 I C 0.220 176.299 176.117 -0.064 0.000 1.059 447 I CA 1.872 63.131 61.300 -0.068 0.000 1.317 447 I CB -2.979 34.980 38.000 -0.068 0.000 1.037 447 I HN 0.229 nan 8.210 nan 0.000 0.398 448 P HA -0.218 nan 4.420 nan 0.000 0.215 448 P C 1.705 178.971 177.300 -0.056 0.000 1.153 448 P CA 1.801 64.865 63.100 -0.060 0.000 0.853 448 P CB -0.132 31.530 31.700 -0.063 0.000 0.788 449 K N -0.269 120.098 120.400 -0.054 0.000 2.097 449 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 449 K C 1.875 178.445 176.600 -0.049 0.000 1.049 449 K CA 1.903 58.161 56.287 -0.048 0.000 0.933 449 K CB -0.486 31.986 32.500 -0.047 0.000 0.717 449 K HN 0.033 nan 8.250 nan 0.000 0.442 450 T N 1.624 116.146 114.554 -0.054 0.000 2.942 450 T HA -0.002 4.348 4.350 -0.000 0.000 0.265 450 T C 1.767 176.431 174.700 -0.060 0.000 1.062 450 T CA 0.821 62.889 62.100 -0.054 0.000 1.139 450 T CB -0.015 68.820 68.868 -0.055 0.000 0.883 450 T HN 0.145 nan 8.240 nan 0.000 0.468 451 L N 0.857 122.040 121.223 -0.067 0.000 2.017 451 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 451 L C 3.068 179.888 176.870 -0.083 0.000 1.073 451 L CA 1.330 56.121 54.840 -0.082 0.000 0.745 451 L CB -0.679 41.329 42.059 -0.086 0.000 0.894 451 L HN 0.237 nan 8.230 nan 0.000 0.432 452 A N -0.368 122.412 122.820 -0.067 0.000 1.930 452 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 452 A C 2.253 179.806 177.584 -0.052 0.000 1.175 452 A CA 1.652 53.654 52.037 -0.058 0.000 0.627 452 A CB -0.465 18.508 19.000 -0.045 0.000 0.815 452 A HN 0.467 nan 8.150 nan 0.000 0.443 453 E N 0.146 120.317 120.200 -0.048 0.000 2.023 453 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 453 E C 1.644 178.218 176.600 -0.043 0.000 1.003 453 E CA 1.472 57.848 56.400 -0.041 0.000 0.809 453 E CB -0.194 29.483 29.700 -0.039 0.000 0.755 453 E HN 0.531 nan 8.360 nan 0.000 0.449 454 N N 0.322 118.991 118.700 -0.051 0.000 2.272 454 N HA -0.153 4.586 4.740 -0.000 0.000 0.185 454 N C 1.245 176.722 175.510 -0.055 0.000 1.014 454 N CA 1.207 54.226 53.050 -0.052 0.000 0.870 454 N CB -0.319 38.132 38.487 -0.060 0.000 0.975 454 N HN 0.242 nan 8.380 nan 0.000 0.433 455 A N -0.128 122.653 122.820 -0.065 0.000 2.238 455 A HA 0.387 4.707 4.320 -0.000 0.000 0.208 455 A C 1.373 178.934 177.584 -0.038 0.000 1.177 455 A CA 0.611 52.610 52.037 -0.064 0.000 0.804 455 A CB -0.511 18.435 19.000 -0.090 0.000 0.823 455 A HN 0.284 nan 8.150 nan 0.000 0.482 456 G N -0.749 108.031 108.800 -0.033 0.000 2.221 456 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.265 456 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.265 456 G C -0.029 174.859 174.900 -0.020 0.000 1.041 456 G CA 0.563 45.650 45.100 -0.022 0.000 0.807 456 G HN 0.464 nan 8.290 nan 0.000 0.502 457 L N -0.547 120.661 121.223 -0.025 0.000 2.358 457 L HA 0.506 4.846 4.340 -0.000 0.000 0.268 457 L C 0.363 177.222 176.870 -0.019 0.000 1.032 457 L CA -1.137 53.691 54.840 -0.021 0.000 0.805 457 L CB 1.024 43.068 42.059 -0.025 0.000 1.253 457 L HN 0.112 nan 8.230 nan 0.000 0.452 458 D N 0.445 120.836 120.400 -0.015 0.000 2.344 458 D HA 0.020 4.660 4.640 -0.000 0.000 0.253 458 D C 0.940 177.230 176.300 -0.016 0.000 1.255 458 D CA 0.126 54.118 54.000 -0.014 0.000 0.894 458 D CB 1.284 42.078 40.800 -0.010 0.000 1.067 458 D HN 0.459 nan 8.370 nan 0.000 0.492 459 T N 2.813 117.355 114.554 -0.020 0.000 2.665 459 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 459 T C 1.961 176.649 174.700 -0.019 0.000 1.035 459 T CA 1.516 63.602 62.100 -0.022 0.000 1.151 459 T CB 0.029 68.882 68.868 -0.024 0.000 0.862 459 T HN 0.349 nan 8.240 nan 0.000 0.438 460 V N 1.137 121.042 119.914 -0.015 0.000 2.295 460 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 460 V C 2.448 178.536 176.094 -0.010 0.000 1.049 460 V CA 2.100 64.393 62.300 -0.012 0.000 1.024 460 V CB -0.617 31.200 31.823 -0.010 0.000 0.648 460 V HN 0.566 nan 8.190 nan 0.000 0.447 461 E N -0.398 119.797 120.200 -0.009 0.000 2.031 461 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 461 E C 2.366 178.963 176.600 -0.006 0.000 0.994 461 E CA 1.558 57.955 56.400 -0.006 0.000 0.800 461 E CB -0.099 29.598 29.700 -0.005 0.000 0.752 461 E HN 0.350 nan 8.360 nan 0.000 0.447 462 M N 0.592 120.186 119.600 -0.009 0.000 2.073 462 M HA -0.205 4.275 4.480 -0.000 0.000 0.258 462 M C 2.439 178.733 176.300 -0.010 0.000 1.070 462 M CA 1.194 56.488 55.300 -0.010 0.000 1.103 462 M CB -1.081 31.509 32.600 -0.018 0.000 1.321 462 M HN 0.268 nan 8.290 nan 0.000 0.405 463 L N -0.378 120.836 121.223 -0.016 0.000 2.013 463 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 463 L C 2.634 179.499 176.870 -0.009 0.000 1.073 463 L CA 1.567 56.396 54.840 -0.018 0.000 0.753 463 L CB -1.536 40.510 42.059 -0.022 0.000 0.890 463 L HN 0.152 nan 8.230 nan 0.000 0.432 464 V N -0.124 119.787 119.914 -0.004 0.000 2.282 464 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 464 V C 2.593 178.692 176.094 0.008 0.000 1.057 464 V CA 1.819 64.121 62.300 0.002 0.000 1.032 464 V CB -0.495 31.329 31.823 0.002 0.000 0.645 464 V HN 0.458 nan 8.190 nan 0.000 0.447 465 K N -0.122 120.282 120.400 0.007 0.000 2.001 465 K HA -0.133 4.186 4.320 -0.000 0.000 0.208 465 K C 2.073 178.687 176.600 0.023 0.000 1.048 465 K CA 1.769 58.064 56.287 0.013 0.000 0.932 465 K CB -0.452 32.054 32.500 0.010 0.000 0.715 465 K HN 0.532 nan 8.250 nan 0.000 0.437 466 V N 0.439 120.365 119.914 0.019 0.000 2.295 466 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 466 V C 2.192 178.322 176.094 0.059 0.000 1.049 466 V CA 1.326 63.648 62.300 0.036 0.000 1.024 466 V CB -0.780 31.050 31.823 0.012 0.000 0.648 466 V HN 0.121 nan 8.190 nan 0.000 0.447 467 I N 2.584 123.169 120.570 0.024 0.000 2.091 467 I HA -0.255 3.914 4.170 -0.000 0.000 0.239 467 I C 3.017 179.180 176.117 0.078 0.000 1.061 467 I CA 2.537 63.854 61.300 0.028 0.000 1.317 467 I CB -1.748 36.254 38.000 0.003 0.000 1.031 467 I HN 0.651 nan 8.210 nan 0.000 0.401 468 S N 0.727 116.458 115.700 0.053 0.000 2.356 468 S HA -0.265 4.204 4.470 -0.000 0.000 0.223 468 S C 1.961 176.596 174.600 0.059 0.000 1.032 468 S CA 1.507 59.737 58.200 0.050 0.000 1.005 468 S CB -0.769 62.450 63.200 0.030 0.000 0.867 468 S HN 0.545 nan 8.310 nan 0.000 0.449 469 E N 0.826 121.061 120.200 0.058 0.000 2.160 469 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 469 E C 1.988 178.625 176.600 0.063 0.000 0.991 469 E CA 1.445 57.874 56.400 0.049 0.000 0.810 469 E CB -0.368 29.358 29.700 0.043 0.000 0.742 469 E HN 0.868 nan 8.360 nan 0.000 0.466 470 H N 0.032 119.103 119.070 0.003 0.000 2.333 470 H HA 0.053 4.609 4.556 -0.000 0.000 0.302 470 H C 1.830 177.161 175.328 0.005 0.000 1.075 470 H CA 1.748 57.798 56.048 0.003 0.000 1.348 470 H CB 0.227 29.990 29.762 0.002 0.000 1.393 470 H HN -0.008 nan 8.280 nan 0.000 0.509 471 K N 0.035 120.532 120.400 0.162 0.000 2.103 471 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 471 K C 2.147 178.753 176.600 0.010 0.000 1.048 471 K CA 1.411 57.755 56.287 0.095 0.000 0.930 471 K CB -0.138 32.414 32.500 0.086 0.000 0.716 471 K HN 0.471 nan 8.250 nan 0.000 0.444 472 N N 0.695 119.397 118.700 0.003 0.000 2.124 472 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 472 N C 1.848 177.332 175.510 -0.043 0.000 1.045 472 N CA 0.753 53.796 53.050 -0.013 0.000 0.846 472 N CB 0.204 38.690 38.487 -0.002 0.000 1.020 472 N HN 0.086 nan 8.380 nan 0.000 0.432 473 R N 0.331 120.796 120.500 -0.057 0.000 2.075 473 R HA 0.085 4.425 4.340 -0.000 0.000 0.232 473 R C 0.874 177.095 176.300 -0.132 0.000 1.126 473 R CA 0.976 57.031 56.100 -0.075 0.000 0.963 473 R CB -0.151 30.116 30.300 -0.055 0.000 0.858 473 R HN 0.432 nan 8.270 nan 0.000 0.435 474 G N -1.229 107.415 108.800 -0.260 0.000 2.353 474 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.424 474 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.424 474 G C -0.080 174.455 174.900 -0.608 0.000 1.320 474 G CA -0.903 43.990 45.100 -0.346 0.000 0.995 474 G HN -0.048 nan 8.290 nan 0.000 0.580 475 L N 0.931 121.937 121.223 -0.361 0.000 2.123 475 L HA -0.073 4.266 4.340 -0.000 0.000 0.217 475 L C 2.974 179.860 176.870 0.026 0.000 1.081 475 L CA 3.231 57.998 54.840 -0.122 0.000 0.772 475 L CB -0.806 41.250 42.059 -0.005 0.000 0.890 475 L HN 1.105 nan 8.230 nan 0.000 0.437 476 G N -1.669 107.108 108.800 -0.039 0.000 2.985 476 G HA2 0.068 4.027 3.960 -0.000 0.000 0.209 476 G HA3 0.068 4.027 3.960 -0.000 0.000 0.209 476 G C 0.765 175.704 174.900 0.065 0.000 1.165 476 G CA -0.335 44.783 45.100 0.030 0.000 0.776 476 G HN 0.130 nan 8.290 nan 0.000 0.541 477 I N 1.939 122.559 120.570 0.082 0.000 2.452 477 I HA 0.410 4.580 4.170 -0.000 0.000 0.287 477 I C 0.911 177.163 176.117 0.225 0.000 1.079 477 I CA -0.169 61.218 61.300 0.145 0.000 1.387 477 I CB 0.302 38.373 38.000 0.118 0.000 1.404 477 I HN 0.042 nan 8.210 nan 0.000 0.522 478 G N 6.638 115.500 108.800 0.105 0.000 2.921 478 G HA2 0.679 4.639 3.960 -0.000 0.000 0.291 478 G HA3 0.679 4.639 3.960 -0.000 0.000 0.291 478 G C -0.948 173.969 174.900 0.029 0.000 1.370 478 G CA -0.713 44.421 45.100 0.057 0.000 0.847 478 G HN 0.377 nan 8.290 nan 0.000 0.532 479 I N 1.100 121.670 120.570 0.000 0.000 2.315 479 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 479 I C -0.803 175.302 176.117 -0.020 0.000 1.006 479 I CA -0.406 60.886 61.300 -0.013 0.000 1.265 479 I CB 1.686 39.665 38.000 -0.035 0.000 1.387 479 I HN 0.285 nan 8.210 nan 0.000 0.475 480 D N 6.502 126.900 120.400 -0.004 0.000 2.468 480 D HA 0.092 4.732 4.640 -0.000 0.000 0.218 480 D C 1.125 177.408 176.300 -0.028 0.000 1.155 480 D CA -0.411 53.595 54.000 0.009 0.000 0.924 480 D CB 1.166 41.998 40.800 0.053 0.000 1.029 480 D HN 0.404 nan 8.370 nan 0.000 0.515 481 V N 2.456 122.289 119.914 -0.134 0.000 2.469 481 V HA -0.207 3.912 4.120 -0.000 0.000 0.251 481 V C 1.717 177.712 176.094 -0.165 0.000 1.064 481 V CA 1.269 63.450 62.300 -0.198 0.000 1.066 481 V CB -1.025 30.601 31.823 -0.329 0.000 0.667 481 V HN 0.291 nan 8.190 nan 0.000 0.461 482 F N 1.099 121.045 119.950 -0.006 0.000 2.134 482 F HA 0.059 4.585 4.527 -0.000 0.000 0.299 482 F C 2.464 178.261 175.800 -0.006 0.000 1.097 482 F CA 2.099 60.094 58.000 -0.007 0.000 1.264 482 F CB -0.592 38.403 39.000 -0.008 0.000 1.001 482 F HN 0.245 nan 8.300 nan 0.000 0.479 483 E N -0.667 119.641 120.200 0.181 0.000 2.479 483 E HA 0.206 4.556 4.350 -0.000 0.000 0.193 483 E C 1.367 178.000 176.600 0.056 0.000 1.049 483 E CA 0.462 56.922 56.400 0.101 0.000 0.870 483 E CB -0.195 29.554 29.700 0.081 0.000 0.944 483 E HN 0.265 nan 8.360 nan 0.000 0.492 484 G N 2.009 110.831 108.800 0.037 0.000 2.356 484 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.296 484 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.296 484 G C -0.184 174.722 174.900 0.010 0.000 1.022 484 G CA 1.254 46.360 45.100 0.010 0.000 0.961 484 G HN 0.335 nan 8.290 nan 0.000 0.510 485 K N -1.966 118.442 120.400 0.014 0.000 2.556 485 K HA 0.660 4.980 4.320 -0.000 0.000 0.274 485 K C -3.420 173.190 176.600 0.016 0.000 0.966 485 K CA -2.432 53.863 56.287 0.014 0.000 0.865 485 K CB 1.781 34.292 32.500 0.019 0.000 1.444 485 K HN -0.072 nan 8.250 nan 0.000 0.433 486 P HA 0.166 nan 4.420 nan 0.000 0.268 486 P C -1.196 176.121 177.300 0.028 0.000 1.208 486 P CA -0.012 63.102 63.100 0.025 0.000 0.777 486 P CB 0.827 32.545 31.700 0.029 0.000 0.875 487 A N 1.103 123.943 122.820 0.033 0.000 2.586 487 A HA 0.462 4.782 4.320 -0.000 0.000 0.290 487 A C -1.489 176.115 177.584 0.033 0.000 1.086 487 A CA -0.463 51.592 52.037 0.031 0.000 0.665 487 A CB 0.860 19.881 19.000 0.035 0.000 1.279 487 A HN 0.416 nan 8.150 nan 0.000 0.423 488 D N 1.740 122.155 120.400 0.026 0.000 2.393 488 D HA 0.297 4.937 4.640 -0.000 0.000 0.232 488 D C 1.216 177.533 176.300 0.028 0.000 1.192 488 D CA -0.394 53.619 54.000 0.022 0.000 0.882 488 D CB 0.368 41.174 40.800 0.010 0.000 1.038 488 D HN 0.346 nan 8.370 nan 0.000 0.499 489 M N 3.111 122.731 119.600 0.034 0.000 2.149 489 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 489 M C 1.507 177.824 176.300 0.029 0.000 1.064 489 M CA 0.780 56.101 55.300 0.035 0.000 1.102 489 M CB -0.634 31.988 32.600 0.037 0.000 1.369 489 M HN 0.403 nan 8.290 nan 0.000 0.408 490 L N 0.534 121.771 121.223 0.024 0.000 1.994 490 L HA -0.170 4.169 4.340 -0.000 0.000 0.208 490 L C 2.605 179.486 176.870 0.017 0.000 1.071 490 L CA 1.808 56.660 54.840 0.019 0.000 0.745 490 L CB -1.115 40.952 42.059 0.013 0.000 0.892 490 L HN 0.276 nan 8.230 nan 0.000 0.431 491 E N -0.278 119.931 120.200 0.015 0.000 2.077 491 E HA -0.185 4.164 4.350 -0.000 0.000 0.193 491 E C 2.091 178.702 176.600 0.019 0.000 0.989 491 E CA 0.792 57.201 56.400 0.014 0.000 0.800 491 E CB -0.131 29.576 29.700 0.012 0.000 0.746 491 E HN 0.355 nan 8.360 nan 0.000 0.452 492 K N -0.533 119.882 120.400 0.025 0.000 2.360 492 K HA -0.097 4.223 4.320 -0.000 0.000 0.201 492 K C 1.415 178.034 176.600 0.032 0.000 1.046 492 K CA 0.922 57.228 56.287 0.033 0.000 0.945 492 K CB -0.201 32.327 32.500 0.047 0.000 0.750 492 K HN 0.346 nan 8.250 nan 0.000 0.464 493 G N 1.380 110.197 108.800 0.028 0.000 2.159 493 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.256 493 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.256 493 G C 0.219 175.139 174.900 0.032 0.000 0.977 493 G CA 0.064 45.180 45.100 0.026 0.000 0.652 493 G HN 0.308 nan 8.290 nan 0.000 0.531 494 I N 1.027 121.621 120.570 0.039 0.000 2.357 494 I HA 0.390 4.560 4.170 -0.000 0.000 0.300 494 I C 0.214 176.350 176.117 0.031 0.000 1.159 494 I CA -0.047 61.279 61.300 0.042 0.000 1.339 494 I CB 0.080 38.109 38.000 0.048 0.000 1.458 494 I HN 0.084 nan 8.210 nan 0.000 0.577 495 I N 6.361 126.947 120.570 0.028 0.000 2.730 495 I HA 0.394 4.563 4.170 -0.000 0.000 0.298 495 I C -0.392 175.736 176.117 0.019 0.000 1.089 495 I CA -0.299 61.015 61.300 0.022 0.000 1.041 495 I CB 2.114 40.126 38.000 0.021 0.000 1.235 495 I HN 0.554 nan 8.210 nan 0.000 0.423 496 E N 5.494 125.704 120.200 0.016 0.000 2.416 496 E HA 0.664 5.014 4.350 -0.000 0.000 0.273 496 E C -2.890 173.718 176.600 0.013 0.000 0.935 496 E CA -2.358 54.050 56.400 0.013 0.000 0.784 496 E CB 1.648 31.354 29.700 0.009 0.000 1.301 496 E HN 0.097 nan 8.360 nan 0.000 0.454 497 P HA -0.004 nan 4.420 nan 0.000 0.271 497 P C 0.503 177.811 177.300 0.012 0.000 1.218 497 P CA -0.456 62.652 63.100 0.013 0.000 0.780 497 P CB 0.695 32.403 31.700 0.013 0.000 0.901 498 L N 2.990 124.221 121.223 0.013 0.000 2.046 498 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 498 L C 2.214 179.091 176.870 0.011 0.000 1.077 498 L CA 1.833 56.680 54.840 0.012 0.000 0.747 498 L CB -0.338 41.728 42.059 0.013 0.000 0.896 498 L HN 0.456 nan 8.230 nan 0.000 0.432 499 R N -0.674 119.833 120.500 0.012 0.000 2.127 499 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 499 R C 2.122 178.428 176.300 0.010 0.000 1.134 499 R CA 1.657 57.764 56.100 0.012 0.000 0.975 499 R CB -0.148 30.160 30.300 0.014 0.000 0.865 499 R HN 0.306 nan 8.270 nan 0.000 0.447 500 V N 0.967 120.887 119.914 0.009 0.000 2.255 500 V HA -0.274 3.845 4.120 -0.000 0.000 0.247 500 V C 2.255 178.351 176.094 0.003 0.000 1.051 500 V CA 2.087 64.390 62.300 0.005 0.000 1.018 500 V CB -0.418 31.407 31.823 0.004 0.000 0.641 500 V HN 0.279 nan 8.190 nan 0.000 0.445 501 K N -0.162 120.240 120.400 0.003 0.000 2.148 501 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 501 K C 2.161 178.765 176.600 0.007 0.000 1.050 501 K CA 1.012 57.300 56.287 0.002 0.000 0.942 501 K CB -0.102 32.399 32.500 0.002 0.000 0.724 501 K HN 0.335 nan 8.250 nan 0.000 0.446 502 K N 0.051 120.457 120.400 0.009 0.000 1.985 502 K HA -0.190 4.129 4.320 -0.000 0.000 0.210 502 K C 2.190 178.799 176.600 0.015 0.000 1.047 502 K CA 1.474 57.768 56.287 0.012 0.000 0.932 502 K CB -0.273 32.233 32.500 0.010 0.000 0.716 502 K HN 0.091 nan 8.250 nan 0.000 0.439 503 Q N 0.956 120.763 119.800 0.012 0.000 2.124 503 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 503 Q C 1.873 177.880 176.000 0.012 0.000 0.977 503 Q CA 1.813 57.624 55.803 0.013 0.000 0.850 503 Q CB -0.383 28.362 28.738 0.011 0.000 0.901 503 Q HN 0.323 nan 8.270 nan 0.000 0.429 504 A N 0.444 123.267 122.820 0.006 0.000 1.865 504 A HA -0.170 4.149 4.320 -0.000 0.000 0.217 504 A C 1.926 179.512 177.584 0.003 0.000 1.191 504 A CA 1.701 53.737 52.037 -0.002 0.000 0.623 504 A CB -0.745 18.248 19.000 -0.011 0.000 0.826 504 A HN 0.454 nan 8.150 nan 0.000 0.444 505 I N -0.339 120.241 120.570 0.016 0.000 2.394 505 I HA -0.180 3.990 4.170 -0.000 0.000 0.251 505 I C 2.195 178.352 176.117 0.067 0.000 1.136 505 I CA 1.401 62.728 61.300 0.046 0.000 1.425 505 I CB -1.220 36.828 38.000 0.080 0.000 1.079 505 I HN 0.381 nan 8.210 nan 0.000 0.425 506 K N 0.890 121.318 120.400 0.047 0.000 1.984 506 K HA -0.093 4.226 4.320 -0.000 0.000 0.209 506 K C 2.388 179.016 176.600 0.046 0.000 1.046 506 K CA 1.698 58.013 56.287 0.047 0.000 0.934 506 K CB -0.165 32.353 32.500 0.031 0.000 0.717 506 K HN 0.116 nan 8.250 nan 0.000 0.438 507 S N 0.948 116.667 115.700 0.031 0.000 2.359 507 S HA -0.184 4.285 4.470 -0.000 0.000 0.224 507 S C 2.146 176.764 174.600 0.030 0.000 1.035 507 S CA 1.358 59.575 58.200 0.027 0.000 1.018 507 S CB -0.341 62.869 63.200 0.017 0.000 0.876 507 S HN 0.447 nan 8.310 nan 0.000 0.448 508 A N 1.366 124.197 122.820 0.018 0.000 1.865 508 A HA -0.115 4.204 4.320 -0.000 0.000 0.217 508 A C 2.377 179.984 177.584 0.038 0.000 1.191 508 A CA 2.045 54.084 52.037 0.004 0.000 0.623 508 A CB -1.157 17.819 19.000 -0.040 0.000 0.826 508 A HN 0.436 nan 8.150 nan 0.000 0.444 509 S N -0.195 115.553 115.700 0.079 0.000 2.359 509 S HA -0.206 4.263 4.470 -0.000 0.000 0.222 509 S C 1.901 176.591 174.600 0.150 0.000 1.038 509 S CA 1.676 59.977 58.200 0.169 0.000 1.051 509 S CB -0.458 62.879 63.200 0.228 0.000 0.944 509 S HN 0.689 nan 8.310 nan 0.000 0.433 510 E N 1.167 121.430 120.200 0.105 0.000 2.118 510 E HA -0.153 4.196 4.350 -0.000 0.000 0.195 510 E C 2.340 178.987 176.600 0.078 0.000 0.992 510 E CA 1.110 57.562 56.400 0.086 0.000 0.804 510 E CB -0.279 29.457 29.700 0.060 0.000 0.741 510 E HN 0.526 nan 8.360 nan 0.000 0.458 511 A N 1.727 124.587 122.820 0.066 0.000 1.898 511 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 511 A C 2.444 180.069 177.584 0.069 0.000 1.181 511 A CA 1.596 53.666 52.037 0.055 0.000 0.620 511 A CB -0.562 18.460 19.000 0.038 0.000 0.819 511 A HN 0.281 nan 8.150 nan 0.000 0.442 512 A N 0.182 123.057 122.820 0.092 0.000 1.858 512 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 512 A C 2.095 179.764 177.584 0.143 0.000 1.190 512 A CA 1.577 53.689 52.037 0.125 0.000 0.617 512 A CB -0.697 18.409 19.000 0.175 0.000 0.827 512 A HN 0.488 nan 8.150 nan 0.000 0.443 513 I N -0.868 119.807 120.570 0.174 0.000 2.335 513 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 513 I C 2.684 178.847 176.117 0.076 0.000 1.129 513 I CA 1.763 63.145 61.300 0.137 0.000 1.402 513 I CB -0.265 37.827 38.000 0.154 0.000 1.069 513 I HN 0.508 nan 8.210 nan 0.000 0.424 514 M N 0.934 120.576 119.600 0.069 0.000 2.098 514 M HA -0.168 4.311 4.480 -0.000 0.000 0.262 514 M C 2.346 178.669 176.300 0.039 0.000 1.072 514 M CA 1.945 57.273 55.300 0.048 0.000 1.133 514 M CB 0.006 32.632 32.600 0.044 0.000 1.344 514 M HN 0.065 nan 8.290 nan 0.000 0.414 515 I N 0.397 120.993 120.570 0.043 0.000 2.208 515 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 515 I C 2.108 178.239 176.117 0.024 0.000 1.097 515 I CA 0.756 62.078 61.300 0.035 0.000 1.363 515 I CB -0.572 37.451 38.000 0.039 0.000 1.051 515 I HN 0.324 nan 8.210 nan 0.000 0.413 516 L N 0.738 121.975 121.223 0.024 0.000 2.265 516 L HA -0.143 4.197 4.340 -0.000 0.000 0.215 516 L C 2.367 179.223 176.870 -0.023 0.000 1.117 516 L CA 1.694 56.531 54.840 -0.006 0.000 0.782 516 L CB -0.835 41.214 42.059 -0.017 0.000 0.914 516 L HN 0.146 nan 8.230 nan 0.000 0.441 517 R N -1.410 119.087 120.500 -0.005 0.000 2.276 517 R HA 0.171 4.510 4.340 -0.000 0.000 0.196 517 R C 0.407 176.704 176.300 -0.005 0.000 0.961 517 R CA -0.094 56.001 56.100 -0.009 0.000 1.024 517 R CB 0.114 30.420 30.300 0.010 0.000 0.940 517 R HN 0.221 nan 8.270 nan 0.000 0.480 518 I N 2.942 123.514 120.570 0.003 0.000 2.436 518 I HA -0.057 4.113 4.170 -0.000 0.000 0.289 518 I C 0.437 176.558 176.117 0.007 0.000 1.083 518 I CA 0.228 61.535 61.300 0.011 0.000 1.372 518 I CB 0.690 38.703 38.000 0.021 0.000 1.408 518 I HN 0.126 nan 8.210 nan 0.000 0.516 519 D N 4.300 124.705 120.400 0.009 0.000 2.535 519 D HA 0.129 4.769 4.640 -0.000 0.000 0.229 519 D C -0.358 175.959 176.300 0.028 0.000 1.238 519 D CA -0.104 53.901 54.000 0.008 0.000 0.824 519 D CB 0.383 41.176 40.800 -0.010 0.000 1.045 519 D HN 0.342 nan 8.370 nan 0.000 0.500 520 D N 0.043 120.466 120.400 0.039 0.000 2.688 520 D HA 0.204 4.844 4.640 -0.000 0.000 0.210 520 D C -1.627 174.710 176.300 0.061 0.000 1.333 520 D CA -0.402 53.629 54.000 0.050 0.000 0.920 520 D CB 1.945 42.764 40.800 0.032 0.000 1.554 520 D HN -0.173 nan 8.370 nan 0.000 0.579 521 V N 4.990 124.965 119.914 0.102 0.000 2.409 521 V HA 0.563 4.683 4.120 -0.000 0.000 0.291 521 V C 0.212 176.377 176.094 0.118 0.000 1.020 521 V CA -0.554 61.810 62.300 0.107 0.000 0.848 521 V CB 1.587 33.492 31.823 0.136 0.000 0.990 521 V HN 0.482 nan 8.190 nan 0.000 0.430 522 I N 4.533 125.141 120.570 0.064 0.000 2.448 522 I HA 0.683 4.853 4.170 -0.000 0.000 0.281 522 I C 0.165 176.302 176.117 0.033 0.000 1.027 522 I CA -0.416 60.911 61.300 0.044 0.000 1.111 522 I CB 1.659 39.671 38.000 0.019 0.000 1.236 522 I HN 0.656 nan 8.210 nan 0.000 0.452 523 A N 4.799 127.646 122.820 0.045 0.000 2.330 523 A HA 0.905 5.225 4.320 -0.000 0.000 0.327 523 A C 0.153 177.748 177.584 0.018 0.000 1.155 523 A CA -0.365 51.688 52.037 0.025 0.000 0.803 523 A CB 1.205 20.222 19.000 0.028 0.000 1.208 523 A HN 0.752 nan 8.150 nan 0.000 0.477 524 A N 1.959 124.783 122.820 0.007 0.000 2.275 524 A HA 0.604 4.923 4.320 -0.000 0.000 0.282 524 A C 0.498 178.086 177.584 0.006 0.000 1.275 524 A CA -0.266 51.773 52.037 0.004 0.000 0.842 524 A CB 0.213 19.214 19.000 0.001 0.000 1.280 524 A HN 0.832 nan 8.150 nan 0.000 0.508 525 K N -0.480 119.922 120.400 0.004 0.000 2.156 525 K HA 0.565 4.885 4.320 -0.000 0.000 0.271 525 K C 0.088 176.691 176.600 0.003 0.000 0.995 525 K CA -0.246 56.044 56.287 0.005 0.000 0.890 525 K CB 1.239 33.742 32.500 0.004 0.000 1.073 525 K HN 0.801 nan 8.250 nan 0.000 0.454 526 A N 0.000 122.822 122.820 0.004 0.000 2.254 526 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 526 A CA 0.000 52.038 52.037 0.002 0.000 0.836 526 A CB 0.000 19.001 19.000 0.002 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486