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 1q2v_1_C DATA FIRST_RESID 9 DATA SEQUENCE VVILPEGTQR YVGRDAQRLN ILAARIIAET VRTTLGPKGM DKMLVDSLGD DATA SEQUENCE IVVTNDCATI LDKIDLQHPA AKMMVEVAKT QDKEAGDGTT TAVVIAGELL DATA SEQUENCE RKAEELLDQN IHPSIITKGY ALAAEKAQEI LDEIAIRVDP DDEETLLKIA DATA SEQUENCE ATSITGKNAE SHKELLAKLA VEAVKQVAEK KDGKYVVDLD NIKFEKKAGE DATA SEQUENCE GVEESELVRG VVIDKEVVHP RMPKRVENAK IALINEALEV KKTETDAKIN DATA SEQUENCE ITSPDQLMSF LEQEEKMLKD MVDHIAQTGA NVVFVQKGID DLAQHYLAKY DATA SEQUENCE GIMAVRRVKK SDMEKLAKAT GAKIVTNVKD LTPEDLGYAE VVEERKLAGE DATA SEQUENCE NMIFVEGCKN PKAVTILIRG GTEHVIDEVE RALEDAVKVV KDVMEDGAVL DATA SEQUENCE PAGGAPEIEL AIRLDEYAKQ VGGKEALAIE NFADALKIIP KTLAENAGLD DATA SEQUENCE TVEMLVKVIS EHKNRGLGIG IDVFEGKPAD MLEKGIIEPL RVKKQAIKSA DATA SEQUENCE SEAAIMILRI DDVIAAKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 V HA 0.000 nan 4.120 nan 0.000 0.244 9 V C 0.000 176.088 176.094 -0.011 0.000 1.182 9 V CA 0.000 62.295 62.300 -0.009 0.000 1.235 9 V CB 0.000 31.819 31.823 -0.008 0.000 1.184 10 V N 4.664 124.572 119.914 -0.010 0.000 2.359 10 V HA 0.182 4.301 4.120 -0.000 0.000 0.248 10 V C 1.149 177.236 176.094 -0.011 0.000 1.091 10 V CA 0.660 62.953 62.300 -0.011 0.000 1.103 10 V CB -0.596 31.221 31.823 -0.010 0.000 1.176 10 V HN 0.824 nan 8.190 nan 0.000 0.488 11 I N 3.942 124.505 120.570 -0.013 0.000 2.512 11 I HA 0.110 4.280 4.170 -0.000 0.000 0.247 11 I C 0.863 176.972 176.117 -0.013 0.000 1.094 11 I CA 0.911 62.204 61.300 -0.012 0.000 1.427 11 I CB 0.077 38.070 38.000 -0.013 0.000 1.149 11 I HN 0.349 nan 8.210 nan 0.000 0.438 12 L N 1.007 122.220 121.223 -0.017 0.000 2.360 12 L HA 0.413 4.753 4.340 -0.000 0.000 0.271 12 L C -2.194 174.666 176.870 -0.017 0.000 1.057 12 L CA -1.955 52.874 54.840 -0.017 0.000 0.803 12 L CB 0.234 42.279 42.059 -0.023 0.000 1.207 12 L HN -0.118 nan 8.230 nan 0.000 0.445 13 P HA 0.084 nan 4.420 nan 0.000 0.271 13 P C -0.998 176.293 177.300 -0.016 0.000 1.218 13 P CA -0.542 62.550 63.100 -0.013 0.000 0.780 13 P CB 0.410 32.104 31.700 -0.010 0.000 0.901 14 E N 1.407 121.599 120.200 -0.014 0.000 2.437 14 E HA 0.274 4.624 4.350 -0.000 0.000 0.263 14 E C 1.120 177.711 176.600 -0.015 0.000 1.030 14 E CA 0.318 56.709 56.400 -0.016 0.000 0.934 14 E CB -0.471 29.221 29.700 -0.012 0.000 0.943 14 E HN 0.722 nan 8.360 nan 0.000 0.444 15 G N 2.151 110.941 108.800 -0.017 0.000 2.241 15 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 15 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 15 G C 0.391 175.281 174.900 -0.017 0.000 0.998 15 G CA 0.196 45.288 45.100 -0.013 0.000 0.621 15 G HN 0.786 nan 8.290 nan 0.000 0.519 16 T N 2.764 117.304 114.554 -0.023 0.000 2.870 16 T HA 0.488 4.838 4.350 -0.000 0.000 0.300 16 T C 0.419 175.088 174.700 -0.052 0.000 0.989 16 T CA 0.650 62.734 62.100 -0.028 0.000 1.139 16 T CB 0.997 69.849 68.868 -0.027 0.000 0.920 16 T HN 0.671 nan 8.240 nan 0.000 0.537 17 Q N 3.141 122.909 119.800 -0.053 0.000 2.309 17 Q HA 0.682 5.022 4.340 -0.000 0.000 0.264 17 Q C -0.658 175.230 176.000 -0.187 0.000 1.008 17 Q CA -1.138 54.586 55.803 -0.131 0.000 0.853 17 Q CB 2.243 30.951 28.738 -0.051 0.000 1.314 17 Q HN 0.484 nan 8.270 nan 0.000 0.448 18 R N 1.937 122.195 120.500 -0.404 0.000 2.673 18 R HA 0.515 4.855 4.340 -0.000 0.000 0.281 18 R C -1.826 174.095 176.300 -0.633 0.000 0.991 18 R CA -0.528 55.376 56.100 -0.327 0.000 0.896 18 R CB 1.695 31.900 30.300 -0.158 0.000 1.201 18 R HN 0.754 nan 8.270 nan 0.000 0.457 19 Y N 1.443 121.743 120.300 0.001 0.000 2.442 19 Y HA 0.522 5.072 4.550 -0.000 0.000 0.344 19 Y C -0.448 175.454 175.900 0.004 0.000 0.976 19 Y CA -0.818 57.286 58.100 0.007 0.000 1.040 19 Y CB 2.375 40.846 38.460 0.018 0.000 1.228 19 Y HN 0.148 nan 8.280 nan 0.000 0.451 20 V N 1.990 121.975 119.914 0.118 0.000 2.864 20 V HA 0.784 4.904 4.120 -0.000 0.000 0.314 20 V C 0.666 176.794 176.094 0.056 0.000 1.073 20 V CA -0.170 62.169 62.300 0.065 0.000 0.956 20 V CB 1.430 33.268 31.823 0.025 0.000 1.023 20 V HN 1.085 nan 8.190 nan 0.000 0.435 21 G N 3.162 111.981 108.800 0.031 0.000 2.652 21 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.318 21 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.318 21 G C 1.142 176.051 174.900 0.014 0.000 1.295 21 G CA 1.342 46.448 45.100 0.010 0.000 0.999 21 G HN 0.960 nan 8.290 nan 0.000 0.548 22 R N 0.189 120.692 120.500 0.005 0.000 2.133 22 R HA -0.153 4.187 4.340 -0.000 0.000 0.247 22 R C 2.197 178.510 176.300 0.021 0.000 1.151 22 R CA 2.606 58.709 56.100 0.004 0.000 0.971 22 R CB -0.519 29.781 30.300 0.001 0.000 0.866 22 R HN 0.645 nan 8.270 nan 0.000 0.447 23 D N 0.134 120.565 120.400 0.051 0.000 2.097 23 D HA -0.140 4.499 4.640 -0.000 0.000 0.195 23 D C 1.823 178.169 176.300 0.076 0.000 0.989 23 D CA 1.571 55.623 54.000 0.085 0.000 0.827 23 D CB -0.354 40.542 40.800 0.159 0.000 0.966 23 D HN 0.429 nan 8.370 nan 0.000 0.456 24 A N 1.100 123.981 122.820 0.103 0.000 1.883 24 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 24 A C 2.180 179.776 177.584 0.021 0.000 1.186 24 A CA 1.685 53.770 52.037 0.080 0.000 0.624 24 A CB -0.711 18.347 19.000 0.097 0.000 0.822 24 A HN 0.238 nan 8.150 nan 0.000 0.444 25 Q N -1.052 118.756 119.800 0.013 0.000 2.050 25 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 25 Q C 2.383 178.371 176.000 -0.021 0.000 0.980 25 Q CA 1.663 57.463 55.803 -0.006 0.000 0.840 25 Q CB -0.269 28.460 28.738 -0.015 0.000 0.898 25 Q HN 0.735 nan 8.270 nan 0.000 0.424 26 R N 0.441 120.928 120.500 -0.022 0.000 2.091 26 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 26 R C 1.855 178.113 176.300 -0.068 0.000 1.136 26 R CA 1.287 57.366 56.100 -0.036 0.000 0.959 26 R CB -0.114 30.172 30.300 -0.022 0.000 0.856 26 R HN 0.145 nan 8.270 nan 0.000 0.437 27 L N 1.123 122.294 121.223 -0.087 0.000 2.072 27 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 27 L C 1.828 178.586 176.870 -0.186 0.000 1.079 27 L CA 1.818 56.568 54.840 -0.152 0.000 0.752 27 L CB -0.950 40.982 42.059 -0.211 0.000 0.906 27 L HN 0.286 nan 8.230 nan 0.000 0.436 28 N N -0.500 118.162 118.700 -0.063 0.000 2.084 28 N HA -0.162 4.577 4.740 -0.000 0.000 0.190 28 N C 1.941 177.403 175.510 -0.079 0.000 1.030 28 N CA 1.108 54.151 53.050 -0.012 0.000 0.849 28 N CB -0.101 38.415 38.487 0.048 0.000 1.012 28 N HN 0.245 nan 8.380 nan 0.000 0.423 29 I N 0.960 121.493 120.570 -0.063 0.000 2.252 29 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 29 I C 2.260 178.325 176.117 -0.087 0.000 1.102 29 I CA 0.816 62.083 61.300 -0.055 0.000 1.385 29 I CB -0.116 37.864 38.000 -0.034 0.000 1.064 29 I HN 0.219 nan 8.210 nan 0.000 0.414 30 L N 0.420 121.574 121.223 -0.116 0.000 2.046 30 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 30 L C 2.782 179.547 176.870 -0.174 0.000 1.077 30 L CA 1.573 56.337 54.840 -0.127 0.000 0.747 30 L CB -0.395 41.588 42.059 -0.126 0.000 0.896 30 L HN 0.254 nan 8.230 nan 0.000 0.432 31 A N -0.366 122.277 122.820 -0.296 0.000 1.902 31 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 31 A C 2.411 179.884 177.584 -0.185 0.000 1.181 31 A CA 1.714 53.535 52.037 -0.361 0.000 0.623 31 A CB -0.671 17.811 19.000 -0.864 0.000 0.818 31 A HN 0.510 nan 8.150 nan 0.000 0.443 32 A N -0.368 122.372 122.820 -0.134 0.000 1.898 32 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 32 A C 2.238 179.785 177.584 -0.062 0.000 1.181 32 A CA 1.405 53.401 52.037 -0.067 0.000 0.620 32 A CB -0.441 18.536 19.000 -0.039 0.000 0.819 32 A HN 0.533 nan 8.150 nan 0.000 0.442 33 R N -0.562 119.897 120.500 -0.068 0.000 2.081 33 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 33 R C 1.967 178.232 176.300 -0.057 0.000 1.131 33 R CA 1.633 57.699 56.100 -0.057 0.000 0.960 33 R CB -0.493 29.774 30.300 -0.055 0.000 0.856 33 R HN 0.575 nan 8.270 nan 0.000 0.436 34 I N 0.443 120.971 120.570 -0.070 0.000 2.226 34 I HA -0.279 3.890 4.170 -0.000 0.000 0.245 34 I C 2.231 178.319 176.117 -0.049 0.000 1.100 34 I CA 0.884 62.148 61.300 -0.061 0.000 1.374 34 I CB -0.187 37.769 38.000 -0.074 0.000 1.057 34 I HN 0.149 nan 8.210 nan 0.000 0.413 35 I N 1.040 121.580 120.570 -0.050 0.000 2.179 35 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 35 I C 2.815 178.913 176.117 -0.033 0.000 1.088 35 I CA 1.768 63.047 61.300 -0.035 0.000 1.357 35 I CB -1.224 36.759 38.000 -0.028 0.000 1.051 35 I HN 0.177 nan 8.210 nan 0.000 0.409 36 A N 0.200 122.998 122.820 -0.037 0.000 1.940 36 A HA -0.223 4.096 4.320 -0.000 0.000 0.219 36 A C 2.166 179.727 177.584 -0.037 0.000 1.176 36 A CA 1.653 53.667 52.037 -0.037 0.000 0.631 36 A CB -0.623 18.352 19.000 -0.043 0.000 0.814 36 A HN 0.510 nan 8.150 nan 0.000 0.446 37 E N -1.004 119.173 120.200 -0.038 0.000 2.274 37 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 37 E C 1.786 178.367 176.600 -0.032 0.000 0.996 37 E CA 1.243 57.621 56.400 -0.036 0.000 0.840 37 E CB -0.149 29.530 29.700 -0.036 0.000 0.772 37 E HN 0.601 nan 8.360 nan 0.000 0.491 38 T N 0.284 114.821 114.554 -0.030 0.000 2.942 38 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 38 T C 2.059 176.744 174.700 -0.024 0.000 1.062 38 T CA 1.262 63.347 62.100 -0.025 0.000 1.139 38 T CB 0.110 68.964 68.868 -0.023 0.000 0.883 38 T HN 0.186 nan 8.240 nan 0.000 0.468 39 V N 1.246 121.145 119.914 -0.025 0.000 3.307 39 V HA 0.134 4.254 4.120 -0.000 0.000 0.253 39 V C 2.332 178.409 176.094 -0.028 0.000 1.149 39 V CA 0.474 62.759 62.300 -0.025 0.000 1.112 39 V CB -0.731 31.078 31.823 -0.023 0.000 0.777 39 V HN 0.407 nan 8.190 nan 0.000 0.464 40 R N 2.738 123.218 120.500 -0.032 0.000 2.139 40 R HA -0.169 4.171 4.340 -0.000 0.000 0.243 40 R C 1.998 178.276 176.300 -0.036 0.000 1.145 40 R CA 2.136 58.215 56.100 -0.036 0.000 0.976 40 R CB -1.992 28.284 30.300 -0.039 0.000 0.866 40 R HN 0.629 nan 8.270 nan 0.000 0.449 41 T N -1.582 112.952 114.554 -0.033 0.000 3.077 41 T HA -0.091 4.259 4.350 -0.000 0.000 0.269 41 T C 1.728 176.409 174.700 -0.032 0.000 1.146 41 T CA 1.210 63.291 62.100 -0.033 0.000 1.091 41 T CB -0.323 68.529 68.868 -0.028 0.000 0.892 41 T HN 0.563 nan 8.240 nan 0.000 0.533 42 T N -1.170 113.365 114.554 -0.030 0.000 3.081 42 T HA 0.338 4.688 4.350 -0.000 0.000 0.250 42 T C 0.448 175.128 174.700 -0.033 0.000 1.100 42 T CA -0.615 61.468 62.100 -0.028 0.000 1.038 42 T CB -0.355 68.500 68.868 -0.022 0.000 0.962 42 T HN 0.304 nan 8.240 nan 0.000 0.516 43 L N 2.486 123.685 121.223 -0.039 0.000 2.367 43 L HA 0.569 4.909 4.340 -0.000 0.000 0.275 43 L C 0.757 177.592 176.870 -0.058 0.000 1.129 43 L CA 1.571 56.384 54.840 -0.045 0.000 0.839 43 L CB -0.215 41.816 42.059 -0.047 0.000 1.133 43 L HN 0.669 nan 8.230 nan 0.000 0.453 44 G N 4.046 112.811 108.800 -0.058 0.000 2.710 44 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.668 44 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.668 44 G C -2.227 172.614 174.900 -0.097 0.000 1.320 44 G CA -0.408 44.642 45.100 -0.084 0.000 0.860 44 G HN 0.491 nan 8.290 nan 0.000 0.538 45 P HA 0.098 nan 4.420 nan 0.000 0.230 45 P C 0.994 178.156 177.300 -0.231 0.000 1.158 45 P CA 1.304 64.282 63.100 -0.203 0.000 0.769 45 P CB 0.106 31.522 31.700 -0.475 0.000 0.807 46 K N -0.597 119.668 120.400 -0.226 0.000 2.646 46 K HA 0.275 4.595 4.320 -0.000 0.000 0.206 46 K C 0.705 177.255 176.600 -0.084 0.000 1.069 46 K CA -0.305 55.891 56.287 -0.152 0.000 1.067 46 K CB 0.849 33.232 32.500 -0.195 0.000 0.807 46 K HN 0.035 nan 8.250 nan 0.000 0.482 47 G N 0.963 109.723 108.800 -0.067 0.000 2.476 47 G HA2 0.312 4.271 3.960 -0.000 0.000 0.269 47 G HA3 0.312 4.271 3.960 -0.000 0.000 0.269 47 G C 0.036 174.920 174.900 -0.026 0.000 1.195 47 G CA -0.370 44.703 45.100 -0.045 0.000 0.843 47 G HN -0.042 nan 8.290 nan 0.000 0.545 48 M N 0.502 120.088 119.600 -0.023 0.000 2.706 48 M HA 0.406 4.885 4.480 -0.000 0.000 0.304 48 M C -0.728 175.565 176.300 -0.012 0.000 1.217 48 M CA -0.747 54.545 55.300 -0.014 0.000 0.922 48 M CB 1.758 34.349 32.600 -0.015 0.000 1.637 48 M HN 0.363 nan 8.290 nan 0.000 0.492 49 D N 0.799 121.194 120.400 -0.009 0.000 2.326 49 D HA 0.513 5.153 4.640 -0.000 0.000 0.251 49 D C -0.538 175.756 176.300 -0.010 0.000 1.023 49 D CA -0.384 53.611 54.000 -0.008 0.000 0.966 49 D CB 1.322 42.120 40.800 -0.003 0.000 1.156 49 D HN 0.263 nan 8.370 nan 0.000 0.494 50 K N 0.382 120.776 120.400 -0.009 0.000 2.259 50 K HA 0.481 4.801 4.320 -0.000 0.000 0.252 50 K C -0.546 176.048 176.600 -0.010 0.000 0.936 50 K CA -0.740 55.541 56.287 -0.010 0.000 0.810 50 K CB 2.603 35.097 32.500 -0.009 0.000 1.143 50 K HN 0.297 nan 8.250 nan 0.000 0.427 51 M N 4.695 124.286 119.600 -0.016 0.000 2.101 51 M HA 0.331 4.811 4.480 -0.000 0.000 0.340 51 M C -1.622 174.671 176.300 -0.011 0.000 1.057 51 M CA -0.629 54.659 55.300 -0.021 0.000 0.984 51 M CB 0.441 33.018 32.600 -0.039 0.000 1.560 51 M HN 0.473 nan 8.290 nan 0.000 0.435 52 L N 5.913 127.136 121.223 -0.000 0.000 2.322 52 L HA 0.709 5.049 4.340 -0.000 0.000 0.281 52 L C -1.045 175.832 176.870 0.011 0.000 1.014 52 L CA -1.060 53.783 54.840 0.005 0.000 0.815 52 L CB 1.800 43.864 42.059 0.009 0.000 1.247 52 L HN 0.403 nan 8.230 nan 0.000 0.421 53 V N 1.142 121.060 119.914 0.007 0.000 2.483 53 V HA 0.261 4.381 4.120 -0.000 0.000 0.297 53 V C -0.458 175.642 176.094 0.011 0.000 1.027 53 V CA -0.883 61.424 62.300 0.011 0.000 0.855 53 V CB 1.662 33.488 31.823 0.005 0.000 0.995 53 V HN 0.828 nan 8.190 nan 0.000 0.424 54 D N 3.187 123.596 120.400 0.014 0.000 2.447 54 D HA 0.143 4.782 4.640 -0.000 0.000 0.265 54 D C 1.489 177.794 176.300 0.009 0.000 1.250 54 D CA 0.113 54.120 54.000 0.011 0.000 1.046 54 D CB 0.474 41.281 40.800 0.012 0.000 1.095 54 D HN 0.449 nan 8.370 nan 0.000 0.555 55 S N -1.111 114.594 115.700 0.008 0.000 2.442 55 S HA -0.127 4.343 4.470 -0.000 0.000 0.236 55 S C 1.765 176.370 174.600 0.008 0.000 1.007 55 S CA 0.550 58.754 58.200 0.007 0.000 0.965 55 S CB -0.712 62.492 63.200 0.006 0.000 0.773 55 S HN 0.517 nan 8.310 nan 0.000 0.504 56 L N 0.473 121.701 121.223 0.009 0.000 2.567 56 L HA 0.367 4.706 4.340 -0.000 0.000 0.225 56 L C 1.964 178.842 176.870 0.012 0.000 1.119 56 L CA 0.396 55.242 54.840 0.010 0.000 0.871 56 L CB -0.546 41.519 42.059 0.010 0.000 1.036 56 L HN 0.580 nan 8.230 nan 0.000 0.459 57 G N 0.316 109.124 108.800 0.014 0.000 2.176 57 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.232 57 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.232 57 G C 0.043 174.959 174.900 0.028 0.000 0.986 57 G CA 0.114 45.224 45.100 0.018 0.000 0.643 57 G HN 0.427 nan 8.290 nan 0.000 0.522 58 D N 0.522 120.939 120.400 0.028 0.000 2.458 58 D HA 0.420 5.060 4.640 -0.000 0.000 0.243 58 D C 0.693 177.027 176.300 0.055 0.000 1.146 58 D CA 0.167 54.191 54.000 0.040 0.000 0.877 58 D CB 0.233 41.049 40.800 0.027 0.000 1.176 58 D HN 0.332 nan 8.370 nan 0.000 0.461 59 I N 3.901 124.533 120.570 0.102 0.000 2.378 59 I HA 0.300 4.470 4.170 -0.000 0.000 0.291 59 I C -0.676 175.550 176.117 0.182 0.000 0.992 59 I CA -0.989 60.383 61.300 0.121 0.000 1.154 59 I CB 1.821 39.885 38.000 0.108 0.000 1.315 59 I HN 0.138 nan 8.210 nan 0.000 0.448 60 V N 7.224 127.199 119.914 0.101 0.000 2.444 60 V HA 0.395 4.514 4.120 -0.000 0.000 0.294 60 V C -0.286 175.850 176.094 0.070 0.000 1.022 60 V CA -0.647 61.713 62.300 0.100 0.000 0.850 60 V CB 2.229 34.082 31.823 0.050 0.000 0.992 60 V HN 0.388 nan 8.190 nan 0.000 0.426 61 V N 4.864 124.836 119.914 0.097 0.000 2.384 61 V HA 0.809 4.929 4.120 -0.000 0.000 0.287 61 V C 0.061 176.177 176.094 0.038 0.000 1.020 61 V CA -0.030 62.295 62.300 0.041 0.000 0.850 61 V CB 1.679 33.514 31.823 0.020 0.000 0.987 61 V HN 1.046 nan 8.190 nan 0.000 0.436 62 T N 2.304 116.868 114.554 0.016 0.000 2.739 62 T HA 0.306 4.656 4.350 -0.000 0.000 0.303 62 T C 0.384 175.084 174.700 -0.000 0.000 1.389 62 T CA -0.626 61.479 62.100 0.008 0.000 1.001 62 T CB 1.937 70.807 68.868 0.004 0.000 1.436 62 T HN 0.536 nan 8.240 nan 0.000 0.500 63 N N -0.064 118.633 118.700 -0.004 0.000 2.181 63 N HA 0.035 4.774 4.740 -0.000 0.000 0.207 63 N C -0.630 174.874 175.510 -0.011 0.000 1.182 63 N CA 0.026 53.071 53.050 -0.007 0.000 0.893 63 N CB 0.522 39.005 38.487 -0.006 0.000 1.032 63 N HN 0.655 nan 8.380 nan 0.000 0.513 64 D N 0.811 121.204 120.400 -0.011 0.000 2.339 64 D HA 0.018 4.658 4.640 -0.000 0.000 0.256 64 D C 1.462 177.755 176.300 -0.011 0.000 1.214 64 D CA -0.108 53.884 54.000 -0.013 0.000 0.877 64 D CB 0.943 41.733 40.800 -0.015 0.000 1.111 64 D HN 0.113 nan 8.370 nan 0.000 0.478 65 C N 4.090 123.383 119.300 -0.012 0.000 2.413 65 C HA -0.113 4.347 4.460 -0.000 0.000 0.276 65 C C 2.572 177.557 174.990 -0.009 0.000 1.236 65 C CA 1.338 60.349 59.018 -0.012 0.000 1.735 65 C CB -1.266 26.465 27.740 -0.014 0.000 2.031 65 C HN 0.796 nan 8.230 nan 0.000 0.474 66 A N -0.271 122.544 122.820 -0.008 0.000 1.908 66 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 66 A C 2.304 179.886 177.584 -0.004 0.000 1.181 66 A CA 2.689 54.722 52.037 -0.005 0.000 0.627 66 A CB -1.331 17.666 19.000 -0.004 0.000 0.818 66 A HN 0.652 nan 8.150 nan 0.000 0.445 67 T N 0.446 114.996 114.554 -0.006 0.000 2.708 67 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 67 T C 1.831 176.530 174.700 -0.002 0.000 1.037 67 T CA 1.357 63.455 62.100 -0.004 0.000 1.146 67 T CB -0.284 68.580 68.868 -0.006 0.000 0.865 67 T HN 0.297 nan 8.240 nan 0.000 0.435 68 I N 1.307 121.875 120.570 -0.003 0.000 2.127 68 I HA -0.115 4.055 4.170 -0.000 0.000 0.241 68 I C 2.401 178.518 176.117 -0.001 0.000 1.075 68 I CA 1.512 62.810 61.300 -0.002 0.000 1.334 68 I CB -1.212 36.784 38.000 -0.005 0.000 1.040 68 I HN 0.274 nan 8.210 nan 0.000 0.405 69 L N 0.172 121.394 121.223 -0.002 0.000 2.191 69 L HA -0.228 4.111 4.340 -0.000 0.000 0.212 69 L C 2.154 179.026 176.870 0.002 0.000 1.103 69 L CA 1.447 56.286 54.840 -0.001 0.000 0.769 69 L CB -0.620 41.438 42.059 -0.002 0.000 0.908 69 L HN 0.283 nan 8.230 nan 0.000 0.438 70 D N -0.079 120.322 120.400 0.002 0.000 2.162 70 D HA -0.146 4.494 4.640 -0.000 0.000 0.203 70 D C 2.129 178.431 176.300 0.004 0.000 0.967 70 D CA 0.957 54.959 54.000 0.003 0.000 0.840 70 D CB 0.284 41.086 40.800 0.002 0.000 0.972 70 D HN -0.082 nan 8.370 nan 0.000 0.482 71 K N -0.021 120.382 120.400 0.004 0.000 2.365 71 K HA 0.064 4.384 4.320 -0.000 0.000 0.197 71 K C 0.427 177.031 176.600 0.006 0.000 1.042 71 K CA 0.018 56.308 56.287 0.006 0.000 0.987 71 K CB 0.371 32.875 32.500 0.007 0.000 0.779 71 K HN 0.267 nan 8.250 nan 0.000 0.484 72 I N 1.812 122.385 120.570 0.005 0.000 2.638 72 I HA -0.031 4.139 4.170 -0.000 0.000 0.286 72 I C 0.286 176.407 176.117 0.007 0.000 1.088 72 I CA -0.573 60.730 61.300 0.005 0.000 1.397 72 I CB 0.689 38.691 38.000 0.003 0.000 1.414 72 I HN -0.052 nan 8.210 nan 0.000 0.566 73 D N 6.251 126.656 120.400 0.007 0.000 2.494 73 D HA 0.288 4.928 4.640 -0.000 0.000 0.217 73 D C -0.260 176.047 176.300 0.012 0.000 1.153 73 D CA -0.236 53.770 54.000 0.009 0.000 0.954 73 D CB -0.121 40.684 40.800 0.008 0.000 1.034 73 D HN 0.256 nan 8.370 nan 0.000 0.518 74 L N 2.920 124.152 121.223 0.014 0.000 2.380 74 L HA 0.146 4.486 4.340 -0.000 0.000 0.273 74 L C 1.580 178.466 176.870 0.026 0.000 1.138 74 L CA -0.486 54.367 54.840 0.022 0.000 0.832 74 L CB 1.107 43.181 42.059 0.025 0.000 1.124 74 L HN 0.317 nan 8.230 nan 0.000 0.454 75 Q N 0.968 120.791 119.800 0.039 0.000 2.240 75 Q HA 0.021 4.361 4.340 -0.000 0.000 0.194 75 Q C 0.398 176.421 176.000 0.038 0.000 0.982 75 Q CA 0.474 56.297 55.803 0.034 0.000 0.842 75 Q CB -0.226 28.535 28.738 0.037 0.000 0.941 75 Q HN 0.591 nan 8.270 nan 0.000 0.516 76 H N 3.113 122.173 119.070 -0.015 0.000 3.115 76 H HA -0.068 4.488 4.556 -0.000 0.000 0.324 76 H C -1.587 173.730 175.328 -0.019 0.000 1.007 76 H CA -0.469 55.564 56.048 -0.025 0.000 1.385 76 H CB 0.929 30.666 29.762 -0.042 0.000 1.351 76 H HN -0.027 nan 8.280 nan 0.000 0.592 77 P HA -0.170 nan 4.420 nan 0.000 0.216 77 P C 0.990 178.344 177.300 0.089 0.000 1.153 77 P CA 2.033 65.088 63.100 -0.075 0.000 0.848 77 P CB 0.064 31.667 31.700 -0.162 0.000 0.787 78 A N 0.049 123.057 122.820 0.313 0.000 1.933 78 A HA -0.131 4.188 4.320 -0.000 0.000 0.218 78 A C 2.318 179.982 177.584 0.134 0.000 1.175 78 A CA 2.123 54.296 52.037 0.227 0.000 0.628 78 A CB -1.607 17.522 19.000 0.215 0.000 0.814 78 A HN 0.201 nan 8.150 nan 0.000 0.444 79 A N -0.339 122.581 122.820 0.166 0.000 1.930 79 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 79 A C 2.094 179.709 177.584 0.051 0.000 1.175 79 A CA 1.666 53.743 52.037 0.068 0.000 0.627 79 A CB -0.368 18.672 19.000 0.066 0.000 0.815 79 A HN 0.528 nan 8.150 nan 0.000 0.443 80 K N -0.829 119.606 120.400 0.059 0.000 2.148 80 K HA -0.006 4.314 4.320 -0.000 0.000 0.204 80 K C 1.933 178.549 176.600 0.027 0.000 1.050 80 K CA 1.372 57.679 56.287 0.033 0.000 0.942 80 K CB -0.247 32.267 32.500 0.024 0.000 0.724 80 K HN 0.517 nan 8.250 nan 0.000 0.446 81 M N -0.312 119.309 119.600 0.034 0.000 2.296 81 M HA -0.132 4.348 4.480 -0.000 0.000 0.265 81 M C 2.073 178.386 176.300 0.021 0.000 1.064 81 M CA 1.170 56.487 55.300 0.028 0.000 1.109 81 M CB -0.145 32.476 32.600 0.035 0.000 1.396 81 M HN 0.091 nan 8.290 nan 0.000 0.430 82 M N -0.062 119.549 119.600 0.019 0.000 2.229 82 M HA -0.088 4.391 4.480 -0.000 0.000 0.264 82 M C 1.900 178.203 176.300 0.006 0.000 1.063 82 M CA 1.274 56.579 55.300 0.009 0.000 1.114 82 M CB -0.366 32.235 32.600 0.002 0.000 1.387 82 M HN 0.008 nan 8.290 nan 0.000 0.420 83 V N 0.049 119.969 119.914 0.009 0.000 2.392 83 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 83 V C 2.028 178.126 176.094 0.007 0.000 1.059 83 V CA 1.879 64.183 62.300 0.007 0.000 1.051 83 V CB -0.927 30.901 31.823 0.009 0.000 0.658 83 V HN 0.505 nan 8.190 nan 0.000 0.455 84 E N -0.099 120.107 120.200 0.010 0.000 2.150 84 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 84 E C 2.258 178.864 176.600 0.009 0.000 0.985 84 E CA 1.211 57.617 56.400 0.010 0.000 0.814 84 E CB -0.173 29.535 29.700 0.014 0.000 0.752 84 E HN 0.503 nan 8.360 nan 0.000 0.466 85 V N 1.566 121.484 119.914 0.007 0.000 2.307 85 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 85 V C 2.383 178.477 176.094 0.001 0.000 1.045 85 V CA 1.934 64.237 62.300 0.005 0.000 1.024 85 V CB -0.666 31.157 31.823 0.000 0.000 0.651 85 V HN 0.301 nan 8.190 nan 0.000 0.449 86 A N -0.374 122.445 122.820 -0.001 0.000 1.898 86 A HA -0.156 4.163 4.320 -0.000 0.000 0.216 86 A C 2.280 179.865 177.584 0.000 0.000 1.181 86 A CA 1.416 53.451 52.037 -0.003 0.000 0.620 86 A CB -0.376 18.621 19.000 -0.004 0.000 0.819 86 A HN 0.406 nan 8.150 nan 0.000 0.442 87 K N -0.274 120.128 120.400 0.003 0.000 2.032 87 K HA -0.109 4.211 4.320 -0.000 0.000 0.209 87 K C 2.042 178.645 176.600 0.006 0.000 1.048 87 K CA 1.947 58.237 56.287 0.005 0.000 0.927 87 K CB -1.259 31.245 32.500 0.006 0.000 0.712 87 K HN 0.498 nan 8.250 nan 0.000 0.441 88 T N 1.550 116.108 114.554 0.007 0.000 2.821 88 T HA -0.159 4.190 4.350 -0.000 0.000 0.267 88 T C 1.981 176.686 174.700 0.008 0.000 1.046 88 T CA 1.526 63.631 62.100 0.009 0.000 1.139 88 T CB -0.103 68.771 68.868 0.011 0.000 0.871 88 T HN 0.222 nan 8.240 nan 0.000 0.454 89 Q N 1.501 121.304 119.800 0.005 0.000 2.084 89 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 89 Q C 1.882 177.885 176.000 0.005 0.000 0.978 89 Q CA 2.028 57.833 55.803 0.004 0.000 0.844 89 Q CB -0.599 28.139 28.738 -0.000 0.000 0.898 89 Q HN 0.545 nan 8.270 nan 0.000 0.426 90 D N -0.505 119.898 120.400 0.004 0.000 2.092 90 D HA -0.182 4.457 4.640 -0.000 0.000 0.193 90 D C 1.561 177.867 176.300 0.009 0.000 0.994 90 D CA 1.619 55.621 54.000 0.005 0.000 0.828 90 D CB 0.072 40.873 40.800 0.003 0.000 0.963 90 D HN 0.232 nan 8.370 nan 0.000 0.450 91 K N -0.165 120.241 120.400 0.010 0.000 2.057 91 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 91 K C 2.176 178.785 176.600 0.014 0.000 1.049 91 K CA 1.017 57.312 56.287 0.013 0.000 0.931 91 K CB -0.013 32.494 32.500 0.012 0.000 0.714 91 K HN 0.236 nan 8.250 nan 0.000 0.440 92 E N -0.090 120.118 120.200 0.012 0.000 2.046 92 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 92 E C 1.420 178.029 176.600 0.014 0.000 0.982 92 E CA 1.266 57.674 56.400 0.013 0.000 0.800 92 E CB 0.162 29.869 29.700 0.012 0.000 0.756 92 E HN 0.294 nan 8.360 nan 0.000 0.449 93 A N -1.176 121.651 122.820 0.012 0.000 2.551 93 A HA 0.520 4.840 4.320 -0.000 0.000 0.252 93 A C 1.351 178.942 177.584 0.011 0.000 1.199 93 A CA 0.980 53.024 52.037 0.012 0.000 0.972 93 A CB 0.582 19.588 19.000 0.009 0.000 1.153 93 A HN 0.255 nan 8.150 nan 0.000 0.559 94 G N 0.313 109.119 108.800 0.010 0.000 5.356 94 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.309 94 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.309 94 G C 0.058 174.959 174.900 0.003 0.000 1.451 94 G CA 0.401 45.506 45.100 0.009 0.000 0.978 94 G HN 0.465 nan 8.290 nan 0.000 0.771 95 D N 2.024 122.426 120.400 0.003 0.000 2.377 95 D HA 0.469 5.108 4.640 -0.000 0.000 0.245 95 D C 1.402 177.700 176.300 -0.003 0.000 1.196 95 D CA 1.651 55.650 54.000 -0.001 0.000 0.962 95 D CB 0.509 41.309 40.800 0.001 0.000 1.127 95 D HN 1.788 nan 8.370 nan 0.000 0.471 96 G N -0.291 108.504 108.800 -0.008 0.000 2.157 96 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.239 96 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.239 96 G C 1.104 175.996 174.900 -0.013 0.000 0.982 96 G CA 1.097 46.190 45.100 -0.011 0.000 0.650 96 G HN 0.589 nan 8.290 nan 0.000 0.527 97 T N -2.757 111.790 114.554 -0.012 0.000 2.821 97 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 97 T C 2.211 176.901 174.700 -0.017 0.000 1.046 97 T CA 2.530 64.623 62.100 -0.012 0.000 1.139 97 T CB -0.489 68.373 68.868 -0.009 0.000 0.871 97 T HN 0.286 nan 8.240 nan 0.000 0.454 98 T N 1.861 116.403 114.554 -0.020 0.000 2.812 98 T HA -0.050 4.300 4.350 -0.000 0.000 0.264 98 T C 2.254 176.934 174.700 -0.032 0.000 1.042 98 T CA 1.686 63.771 62.100 -0.026 0.000 1.140 98 T CB -0.921 67.931 68.868 -0.027 0.000 0.870 98 T HN 0.484 nan 8.240 nan 0.000 0.445 99 T N 2.262 116.797 114.554 -0.032 0.000 2.665 99 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 99 T C 2.372 177.045 174.700 -0.045 0.000 1.035 99 T CA 1.410 63.486 62.100 -0.040 0.000 1.151 99 T CB -0.636 68.211 68.868 -0.035 0.000 0.862 99 T HN 0.442 nan 8.240 nan 0.000 0.438 100 A N 0.776 123.575 122.820 -0.035 0.000 1.883 100 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 100 A C 2.620 180.180 177.584 -0.041 0.000 1.186 100 A CA 1.605 53.621 52.037 -0.036 0.000 0.624 100 A CB -1.057 17.930 19.000 -0.021 0.000 0.822 100 A HN 0.363 nan 8.150 nan 0.000 0.444 101 V N -0.531 119.363 119.914 -0.034 0.000 2.343 101 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 101 V C 2.572 178.639 176.094 -0.044 0.000 1.051 101 V CA 1.928 64.208 62.300 -0.033 0.000 1.036 101 V CB -0.660 31.147 31.823 -0.026 0.000 0.654 101 V HN 0.369 nan 8.190 nan 0.000 0.451 102 V N -0.228 119.656 119.914 -0.049 0.000 2.343 102 V HA -0.224 3.895 4.120 -0.000 0.000 0.247 102 V C 2.257 178.304 176.094 -0.078 0.000 1.051 102 V CA 1.777 64.043 62.300 -0.058 0.000 1.036 102 V CB -0.405 31.385 31.823 -0.056 0.000 0.654 102 V HN 0.402 nan 8.190 nan 0.000 0.451 103 I N 0.357 120.872 120.570 -0.092 0.000 2.252 103 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 103 I C 2.736 178.764 176.117 -0.148 0.000 1.102 103 I CA 1.750 62.967 61.300 -0.139 0.000 1.385 103 I CB -1.214 36.694 38.000 -0.153 0.000 1.064 103 I HN 0.327 nan 8.210 nan 0.000 0.414 104 A N 1.238 123.996 122.820 -0.102 0.000 1.883 104 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 104 A C 2.490 180.038 177.584 -0.060 0.000 1.186 104 A CA 2.085 54.077 52.037 -0.076 0.000 0.624 104 A CB -1.399 17.578 19.000 -0.038 0.000 0.822 104 A HN 0.439 nan 8.150 nan 0.000 0.444 105 G N -0.608 108.158 108.800 -0.056 0.000 2.446 105 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 105 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 105 G C 1.474 176.344 174.900 -0.051 0.000 1.168 105 G CA 1.382 46.454 45.100 -0.047 0.000 0.771 105 G HN 0.586 nan 8.290 nan 0.000 0.551 106 E N -0.271 119.885 120.200 -0.073 0.000 2.153 106 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 106 E C 2.333 178.886 176.600 -0.079 0.000 0.988 106 E CA 0.386 56.740 56.400 -0.076 0.000 0.811 106 E CB -0.323 29.317 29.700 -0.099 0.000 0.746 106 E HN 0.243 nan 8.360 nan 0.000 0.466 107 L N 0.151 121.301 121.223 -0.123 0.000 2.083 107 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 107 L C 2.086 179.015 176.870 0.099 0.000 1.083 107 L CA 1.480 56.247 54.840 -0.122 0.000 0.752 107 L CB -0.559 41.344 42.059 -0.259 0.000 0.899 107 L HN 0.290 nan 8.230 nan 0.000 0.433 108 L N -1.361 119.898 121.223 0.060 0.000 2.109 108 L HA -0.159 4.180 4.340 -0.000 0.000 0.207 108 L C 2.703 179.600 176.870 0.045 0.000 1.086 108 L CA 0.893 55.778 54.840 0.074 0.000 0.760 108 L CB -0.477 41.601 42.059 0.032 0.000 0.910 108 L HN 0.256 nan 8.230 nan 0.000 0.437 109 R N 0.466 120.977 120.500 0.018 0.000 2.081 109 R HA -0.154 4.185 4.340 -0.000 0.000 0.235 109 R C 2.147 178.462 176.300 0.025 0.000 1.131 109 R CA 1.195 57.299 56.100 0.006 0.000 0.960 109 R CB 0.088 30.381 30.300 -0.012 0.000 0.856 109 R HN 0.164 nan 8.270 nan 0.000 0.436 110 K N 0.262 120.692 120.400 0.051 0.000 2.155 110 K HA -0.010 4.310 4.320 -0.000 0.000 0.203 110 K C 1.932 178.594 176.600 0.103 0.000 1.052 110 K CA 1.157 57.491 56.287 0.079 0.000 0.948 110 K CB -0.262 32.299 32.500 0.102 0.000 0.728 110 K HN 0.251 nan 8.250 nan 0.000 0.448 111 A N 1.373 124.268 122.820 0.126 0.000 1.898 111 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 111 A C 2.169 179.745 177.584 -0.013 0.000 1.181 111 A CA 1.683 53.736 52.037 0.026 0.000 0.620 111 A CB -0.399 18.600 19.000 -0.001 0.000 0.819 111 A HN 0.440 nan 8.150 nan 0.000 0.442 112 E N 0.102 120.304 120.200 0.003 0.000 2.160 112 E HA -0.225 4.124 4.350 -0.000 0.000 0.195 112 E C 1.785 178.380 176.600 -0.009 0.000 0.991 112 E CA 1.344 57.737 56.400 -0.011 0.000 0.810 112 E CB -0.148 29.546 29.700 -0.010 0.000 0.742 112 E HN 0.742 nan 8.360 nan 0.000 0.466 113 E N 0.145 120.347 120.200 0.002 0.000 2.160 113 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 113 E C 2.139 178.738 176.600 -0.002 0.000 0.991 113 E CA 1.038 57.440 56.400 0.003 0.000 0.810 113 E CB -0.031 29.677 29.700 0.014 0.000 0.742 113 E HN 0.407 nan 8.360 nan 0.000 0.466 114 L N 0.364 121.583 121.223 -0.008 0.000 2.179 114 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 114 L C 2.387 179.241 176.870 -0.027 0.000 1.096 114 L CA 0.453 55.283 54.840 -0.017 0.000 0.779 114 L CB -0.276 41.763 42.059 -0.033 0.000 0.922 114 L HN 0.145 nan 8.230 nan 0.000 0.443 115 L N -0.232 120.970 121.223 -0.036 0.000 2.083 115 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 115 L C 2.328 179.181 176.870 -0.029 0.000 1.083 115 L CA 1.311 56.126 54.840 -0.042 0.000 0.752 115 L CB -0.512 41.519 42.059 -0.046 0.000 0.899 115 L HN 0.360 nan 8.230 nan 0.000 0.433 116 D N -0.234 120.154 120.400 -0.020 0.000 2.269 116 D HA -0.212 4.428 4.640 -0.000 0.000 0.208 116 D C 1.922 178.216 176.300 -0.010 0.000 0.963 116 D CA 0.735 54.727 54.000 -0.014 0.000 0.864 116 D CB 0.280 41.074 40.800 -0.010 0.000 0.936 116 D HN 0.389 nan 8.370 nan 0.000 0.505 117 Q N 0.236 120.031 119.800 -0.009 0.000 2.403 117 Q HA -0.005 4.335 4.340 -0.000 0.000 0.203 117 Q C -0.186 175.812 176.000 -0.004 0.000 0.932 117 Q CA 0.183 55.983 55.803 -0.005 0.000 0.945 117 Q CB -0.068 28.669 28.738 -0.002 0.000 1.045 117 Q HN 0.246 nan 8.270 nan 0.000 0.511 118 N N -0.605 118.089 118.700 -0.010 0.000 2.850 118 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 118 N C -1.002 174.509 175.510 0.002 0.000 1.060 118 N CA 0.320 53.365 53.050 -0.008 0.000 0.825 118 N CB -1.133 37.354 38.487 0.000 0.000 1.132 118 N HN 0.259 nan 8.380 nan 0.000 0.564 119 I N 1.675 122.244 120.570 -0.002 0.000 2.452 119 I HA -0.015 4.155 4.170 -0.000 0.000 0.287 119 I C 1.274 177.405 176.117 0.023 0.000 1.079 119 I CA -0.209 61.100 61.300 0.016 0.000 1.387 119 I CB 0.254 38.253 38.000 -0.000 0.000 1.404 119 I HN 0.214 nan 8.210 nan 0.000 0.522 120 H N 9.946 128.999 119.070 -0.029 0.000 3.094 120 H HA 0.004 4.560 4.556 -0.000 0.000 0.320 120 H C -1.498 173.805 175.328 -0.042 0.000 1.000 120 H CA -1.062 54.969 56.048 -0.029 0.000 1.413 120 H CB 1.252 31.001 29.762 -0.022 0.000 1.405 120 H HN 0.418 nan 8.280 nan 0.000 0.586 121 P HA -0.189 nan 4.420 nan 0.000 0.217 121 P C 1.667 179.023 177.300 0.094 0.000 1.148 121 P CA 1.228 64.305 63.100 -0.040 0.000 0.828 121 P CB 0.239 31.873 31.700 -0.109 0.000 0.783 122 S N -0.532 115.387 115.700 0.365 0.000 2.370 122 S HA -0.150 4.319 4.470 -0.000 0.000 0.226 122 S C 1.940 176.586 174.600 0.076 0.000 1.033 122 S CA 1.111 59.433 58.200 0.202 0.000 1.011 122 S CB -0.886 62.376 63.200 0.102 0.000 0.852 122 S HN 0.029 nan 8.310 nan 0.000 0.457 123 I N 1.275 121.893 120.570 0.079 0.000 2.163 123 I HA -0.152 4.017 4.170 -0.000 0.000 0.240 123 I C 2.135 178.239 176.117 -0.022 0.000 1.081 123 I CA 0.772 62.081 61.300 0.016 0.000 1.353 123 I CB -0.434 37.578 38.000 0.019 0.000 1.054 123 I HN 0.288 nan 8.210 nan 0.000 0.407 124 I N 0.753 121.285 120.570 -0.063 0.000 2.118 124 I HA -0.304 3.866 4.170 -0.000 0.000 0.241 124 I C 2.677 178.663 176.117 -0.219 0.000 1.070 124 I CA 1.884 63.060 61.300 -0.206 0.000 1.327 124 I CB -1.901 35.928 38.000 -0.285 0.000 1.034 124 I HN 0.245 nan 8.210 nan 0.000 0.405 125 T N 0.737 115.227 114.554 -0.107 0.000 2.665 125 T HA -0.265 4.085 4.350 -0.000 0.000 0.268 125 T C 2.004 176.735 174.700 0.052 0.000 1.035 125 T CA 2.056 64.151 62.100 -0.009 0.000 1.151 125 T CB -0.158 68.725 68.868 0.024 0.000 0.862 125 T HN 0.341 nan 8.240 nan 0.000 0.438 126 K N 0.181 120.599 120.400 0.030 0.000 2.057 126 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 126 K C 2.481 179.114 176.600 0.056 0.000 1.050 126 K CA 1.406 57.717 56.287 0.038 0.000 0.935 126 K CB -0.557 31.953 32.500 0.016 0.000 0.715 126 K HN 0.346 nan 8.250 nan 0.000 0.439 127 G N 0.128 108.960 108.800 0.052 0.000 2.421 127 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 127 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 127 G C 1.373 176.389 174.900 0.194 0.000 1.171 127 G CA 0.904 46.058 45.100 0.091 0.000 0.775 127 G HN 0.400 nan 8.290 nan 0.000 0.543 128 Y N 0.988 121.307 120.300 0.030 0.000 2.165 128 Y HA -0.140 4.410 4.550 -0.000 0.000 0.286 128 Y C 3.302 179.144 175.900 -0.097 0.000 1.155 128 Y CA 0.402 58.527 58.100 0.041 0.000 1.164 128 Y CB -0.001 38.588 38.460 0.215 0.000 0.978 128 Y HN 0.315 nan 8.280 nan 0.000 0.513 129 A N 0.255 123.159 122.820 0.140 0.000 1.902 129 A HA -0.177 4.142 4.320 -0.000 0.000 0.217 129 A C 2.177 179.750 177.584 -0.019 0.000 1.181 129 A CA 1.333 53.401 52.037 0.053 0.000 0.623 129 A CB -1.011 18.027 19.000 0.064 0.000 0.818 129 A HN 0.462 nan 8.150 nan 0.000 0.443 130 L N -0.872 120.357 121.223 0.010 0.000 2.046 130 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 130 L C 3.100 179.962 176.870 -0.013 0.000 1.077 130 L CA 1.182 56.054 54.840 0.053 0.000 0.747 130 L CB -0.516 41.618 42.059 0.126 0.000 0.896 130 L HN 0.455 nan 8.230 nan 0.000 0.432 131 A N -0.292 122.417 122.820 -0.185 0.000 1.930 131 A HA -0.092 4.227 4.320 -0.000 0.000 0.217 131 A C 2.476 179.634 177.584 -0.710 0.000 1.175 131 A CA 1.502 53.237 52.037 -0.503 0.000 0.627 131 A CB -0.555 17.871 19.000 -0.958 0.000 0.815 131 A HN 0.406 nan 8.150 nan 0.000 0.443 132 A N -0.277 122.163 122.820 -0.633 0.000 1.930 132 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 132 A C 1.905 179.403 177.584 -0.142 0.000 1.175 132 A CA 1.568 53.436 52.037 -0.282 0.000 0.627 132 A CB -0.385 18.583 19.000 -0.054 0.000 0.815 132 A HN 0.608 nan 8.150 nan 0.000 0.443 133 E N -0.658 119.461 120.200 -0.136 0.000 2.072 133 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 133 E C 2.037 178.549 176.600 -0.148 0.000 0.982 133 E CA 1.251 57.592 56.400 -0.098 0.000 0.803 133 E CB -0.041 29.621 29.700 -0.063 0.000 0.755 133 E HN 0.457 nan 8.360 nan 0.000 0.453 134 K N 1.101 121.356 120.400 -0.242 0.000 2.097 134 K HA -0.077 4.242 4.320 -0.000 0.000 0.206 134 K C 1.785 178.245 176.600 -0.234 0.000 1.049 134 K CA 1.296 57.368 56.287 -0.359 0.000 0.933 134 K CB -0.294 31.766 32.500 -0.734 0.000 0.717 134 K HN 0.100 nan 8.250 nan 0.000 0.442 135 A N 0.439 123.154 122.820 -0.175 0.000 1.902 135 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 135 A C 2.016 179.569 177.584 -0.051 0.000 1.181 135 A CA 1.417 53.409 52.037 -0.076 0.000 0.623 135 A CB -0.542 18.462 19.000 0.008 0.000 0.818 135 A HN 0.344 nan 8.150 nan 0.000 0.443 136 Q N -0.128 119.641 119.800 -0.052 0.000 2.170 136 Q HA -0.186 4.154 4.340 -0.000 0.000 0.203 136 Q C 1.807 177.782 176.000 -0.042 0.000 0.976 136 Q CA 1.782 57.565 55.803 -0.033 0.000 0.858 136 Q CB -0.359 28.363 28.738 -0.027 0.000 0.907 136 Q HN 0.832 nan 8.270 nan 0.000 0.433 137 E N -0.049 120.110 120.200 -0.069 0.000 2.072 137 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 137 E C 2.091 178.658 176.600 -0.055 0.000 0.982 137 E CA 0.499 56.859 56.400 -0.066 0.000 0.803 137 E CB -0.003 29.640 29.700 -0.095 0.000 0.755 137 E HN 0.293 nan 8.360 nan 0.000 0.453 138 I N 1.006 121.537 120.570 -0.064 0.000 2.179 138 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 138 I C 2.302 178.408 176.117 -0.018 0.000 1.088 138 I CA 0.967 62.242 61.300 -0.041 0.000 1.357 138 I CB -0.209 37.766 38.000 -0.043 0.000 1.051 138 I HN 0.128 nan 8.210 nan 0.000 0.409 139 L N 0.325 121.539 121.223 -0.015 0.000 2.042 139 L HA -0.271 4.068 4.340 -0.000 0.000 0.210 139 L C 2.113 178.982 176.870 -0.002 0.000 1.076 139 L CA 1.359 56.197 54.840 -0.002 0.000 0.749 139 L CB -0.738 41.321 42.059 0.000 0.000 0.893 139 L HN 0.305 nan 8.230 nan 0.000 0.432 140 D N -0.274 120.121 120.400 -0.008 0.000 2.178 140 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 140 D C 2.099 178.396 176.300 -0.004 0.000 0.974 140 D CA 1.007 55.003 54.000 -0.006 0.000 0.841 140 D CB 0.059 40.853 40.800 -0.010 0.000 0.953 140 D HN 0.449 nan 8.370 nan 0.000 0.478 141 E N 0.262 120.457 120.200 -0.008 0.000 2.051 141 E HA -0.041 4.309 4.350 -0.000 0.000 0.189 141 E C 2.261 178.861 176.600 0.002 0.000 0.979 141 E CA 0.460 56.857 56.400 -0.005 0.000 0.803 141 E CB -0.036 29.658 29.700 -0.010 0.000 0.761 141 E HN 0.401 nan 8.360 nan 0.000 0.451 142 I N -1.232 119.342 120.570 0.006 0.000 3.428 142 I HA 0.194 4.363 4.170 -0.000 0.000 0.286 142 I C 0.884 177.009 176.117 0.013 0.000 1.287 142 I CA -0.395 60.912 61.300 0.013 0.000 1.396 142 I CB -0.047 37.968 38.000 0.024 0.000 1.062 142 I HN -0.208 nan 8.210 nan 0.000 0.471 143 A N 2.113 124.939 122.820 0.010 0.000 2.498 143 A HA 0.394 4.714 4.320 -0.000 0.000 0.239 143 A C 0.077 177.668 177.584 0.011 0.000 1.068 143 A CA -0.045 51.999 52.037 0.011 0.000 0.766 143 A CB -0.159 18.846 19.000 0.009 0.000 1.003 143 A HN 0.446 nan 8.150 nan 0.000 0.497 144 I N 3.785 124.363 120.570 0.012 0.000 2.301 144 I HA 0.175 4.345 4.170 -0.000 0.000 0.292 144 I C 0.310 176.434 176.117 0.012 0.000 1.046 144 I CA -0.504 60.803 61.300 0.011 0.000 1.282 144 I CB 0.503 38.510 38.000 0.011 0.000 1.409 144 I HN 0.565 nan 8.210 nan 0.000 0.484 145 R N 5.135 125.642 120.500 0.011 0.000 2.438 145 R HA 0.514 4.854 4.340 -0.000 0.000 0.287 145 R C -0.490 175.819 176.300 0.015 0.000 1.077 145 R CA -0.367 55.741 56.100 0.014 0.000 1.034 145 R CB 1.484 31.792 30.300 0.013 0.000 0.993 145 R HN 0.400 nan 8.270 nan 0.000 0.459 146 V N 1.572 121.497 119.914 0.018 0.000 3.159 146 V HA 0.182 4.302 4.120 -0.000 0.000 0.308 146 V C -1.009 175.101 176.094 0.026 0.000 1.190 146 V CA -0.947 61.364 62.300 0.018 0.000 1.037 146 V CB 2.763 34.595 31.823 0.014 0.000 1.060 146 V HN 0.647 nan 8.190 nan 0.000 0.437 147 D N 5.044 125.460 120.400 0.028 0.000 2.363 147 D HA 0.178 4.818 4.640 -0.000 0.000 0.263 147 D C -1.685 174.642 176.300 0.044 0.000 1.258 147 D CA -1.057 52.968 54.000 0.042 0.000 0.907 147 D CB 1.730 42.554 40.800 0.039 0.000 1.107 147 D HN 0.337 nan 8.370 nan 0.000 0.495 148 P HA -0.200 nan 4.420 nan 0.000 0.219 148 P C 0.541 177.820 177.300 -0.035 0.000 1.149 148 P CA 1.263 64.401 63.100 0.064 0.000 0.835 148 P CB 0.251 32.069 31.700 0.196 0.000 0.778 149 D N -3.387 117.010 120.400 -0.006 0.000 2.431 149 D HA -0.009 4.631 4.640 -0.000 0.000 0.213 149 D C 0.185 176.462 176.300 -0.038 0.000 1.130 149 D CA -0.175 53.768 54.000 -0.095 0.000 0.834 149 D CB -1.000 39.771 40.800 -0.049 0.000 0.985 149 D HN 0.079 nan 8.370 nan 0.000 0.504 150 D N 1.949 122.344 120.400 -0.009 0.000 2.426 150 D HA -0.111 4.529 4.640 -0.000 0.000 0.261 150 D C 0.968 177.259 176.300 -0.015 0.000 1.245 150 D CA 0.261 54.259 54.000 -0.003 0.000 0.917 150 D CB 0.933 41.736 40.800 0.005 0.000 1.123 150 D HN 0.264 nan 8.370 nan 0.000 0.508 151 E N 3.429 123.621 120.200 -0.013 0.000 2.058 151 E HA -0.252 4.097 4.350 -0.000 0.000 0.194 151 E C 1.492 178.087 176.600 -0.009 0.000 0.997 151 E CA 1.085 57.475 56.400 -0.016 0.000 0.801 151 E CB 0.124 29.818 29.700 -0.009 0.000 0.746 151 E HN 0.669 nan 8.360 nan 0.000 0.450 152 E N -0.490 119.708 120.200 -0.003 0.000 2.049 152 E HA -0.261 4.089 4.350 -0.000 0.000 0.198 152 E C 2.140 178.740 176.600 0.000 0.000 1.007 152 E CA 2.056 58.456 56.400 0.000 0.000 0.809 152 E CB -0.234 29.468 29.700 0.003 0.000 0.749 152 E HN 0.372 nan 8.360 nan 0.000 0.450 153 T N -0.357 114.197 114.554 -0.000 0.000 2.777 153 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 153 T C 1.948 176.647 174.700 -0.002 0.000 1.040 153 T CA 0.993 63.094 62.100 0.001 0.000 1.141 153 T CB -0.186 68.683 68.868 0.002 0.000 0.868 153 T HN 0.069 nan 8.240 nan 0.000 0.444 154 L N 0.423 121.640 121.223 -0.010 0.000 2.079 154 L HA 0.112 4.451 4.340 -0.000 0.000 0.210 154 L C 2.450 179.316 176.870 -0.006 0.000 1.081 154 L CA 1.165 55.996 54.840 -0.016 0.000 0.752 154 L CB -1.204 40.834 42.059 -0.034 0.000 0.896 154 L HN 0.304 nan 8.230 nan 0.000 0.433 155 L N -0.832 120.389 121.223 -0.002 0.000 2.093 155 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 155 L C 2.389 179.265 176.870 0.009 0.000 1.085 155 L CA 1.612 56.455 54.840 0.004 0.000 0.755 155 L CB -0.702 41.359 42.059 0.004 0.000 0.904 155 L HN 0.242 nan 8.230 nan 0.000 0.435 156 K N -1.116 119.289 120.400 0.009 0.000 2.103 156 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 156 K C 1.951 178.560 176.600 0.016 0.000 1.052 156 K CA 0.753 57.047 56.287 0.013 0.000 0.945 156 K CB -0.004 32.504 32.500 0.012 0.000 0.722 156 K HN 0.146 nan 8.250 nan 0.000 0.443 157 I N 1.161 121.738 120.570 0.011 0.000 2.252 157 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 157 I C 2.387 178.513 176.117 0.015 0.000 1.102 157 I CA 1.231 62.538 61.300 0.012 0.000 1.385 157 I CB -1.167 36.836 38.000 0.006 0.000 1.064 157 I HN 0.094 nan 8.210 nan 0.000 0.414 158 A N 0.674 123.504 122.820 0.015 0.000 1.897 158 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 158 A C 2.549 180.148 177.584 0.025 0.000 1.181 158 A CA 1.630 53.680 52.037 0.021 0.000 0.620 158 A CB -0.727 18.286 19.000 0.022 0.000 0.821 158 A HN 0.383 nan 8.150 nan 0.000 0.443 159 A N -0.917 121.918 122.820 0.025 0.000 1.933 159 A HA -0.071 4.248 4.320 -0.000 0.000 0.218 159 A C 2.269 179.876 177.584 0.037 0.000 1.175 159 A CA 2.253 54.308 52.037 0.030 0.000 0.628 159 A CB -1.159 17.855 19.000 0.024 0.000 0.814 159 A HN 0.424 nan 8.150 nan 0.000 0.444 160 T N -0.670 113.905 114.554 0.035 0.000 2.777 160 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 160 T C 2.274 176.996 174.700 0.036 0.000 1.040 160 T CA 1.611 63.736 62.100 0.041 0.000 1.141 160 T CB -0.332 68.556 68.868 0.033 0.000 0.868 160 T HN 0.549 nan 8.240 nan 0.000 0.444 161 S N 0.912 116.628 115.700 0.027 0.000 2.359 161 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 161 S C 1.980 176.594 174.600 0.022 0.000 1.035 161 S CA 1.126 59.338 58.200 0.020 0.000 1.018 161 S CB -0.508 62.703 63.200 0.018 0.000 0.876 161 S HN 0.496 nan 8.310 nan 0.000 0.448 162 I N 1.065 121.653 120.570 0.029 0.000 2.676 162 I HA -0.044 4.126 4.170 -0.000 0.000 0.259 162 I C 0.751 176.894 176.117 0.044 0.000 1.194 162 I CA 0.332 61.651 61.300 0.032 0.000 1.473 162 I CB -0.673 37.349 38.000 0.036 0.000 1.096 162 I HN 0.204 nan 8.210 nan 0.000 0.443 163 T N 1.216 115.805 114.554 0.059 0.000 2.940 163 T HA 0.253 4.603 4.350 -0.000 0.000 0.309 163 T C 1.164 175.906 174.700 0.070 0.000 1.056 163 T CA 0.805 62.961 62.100 0.093 0.000 1.137 163 T CB 0.890 69.839 68.868 0.135 0.000 0.976 163 T HN 0.624 nan 8.240 nan 0.000 0.547 164 G N 1.968 110.818 108.800 0.084 0.000 2.157 164 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.248 164 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.248 164 G C 0.017 174.933 174.900 0.026 0.000 0.979 164 G CA 0.197 45.320 45.100 0.037 0.000 0.650 164 G HN 0.679 nan 8.290 nan 0.000 0.529 165 K N -0.847 119.575 120.400 0.035 0.000 2.295 165 K HA 0.492 4.812 4.320 -0.000 0.000 0.239 165 K C 1.005 177.625 176.600 0.034 0.000 0.991 165 K CA -0.437 55.865 56.287 0.025 0.000 0.845 165 K CB 1.101 33.611 32.500 0.016 0.000 1.197 165 K HN 0.016 nan 8.250 nan 0.000 0.441 166 N N 1.125 119.842 118.700 0.029 0.000 2.094 166 N HA -0.210 4.530 4.740 -0.000 0.000 0.191 166 N C 1.226 176.770 175.510 0.056 0.000 1.023 166 N CA 1.965 55.037 53.050 0.037 0.000 0.857 166 N CB -0.034 38.472 38.487 0.032 0.000 1.013 166 N HN 0.637 nan 8.380 nan 0.000 0.426 167 A N 0.309 123.163 122.820 0.057 0.000 2.235 167 A HA -0.030 4.290 4.320 -0.000 0.000 0.208 167 A C 1.629 179.271 177.584 0.097 0.000 1.172 167 A CA 0.721 52.813 52.037 0.091 0.000 0.786 167 A CB -0.731 18.304 19.000 0.059 0.000 0.804 167 A HN 0.711 nan 8.150 nan 0.000 0.479 168 E N -0.092 120.145 120.200 0.062 0.000 2.331 168 E HA -0.148 4.201 4.350 -0.000 0.000 0.199 168 E C 1.460 178.059 176.600 -0.001 0.000 1.008 168 E CA 1.298 57.725 56.400 0.044 0.000 0.843 168 E CB -0.449 29.286 29.700 0.058 0.000 0.761 168 E HN 0.412 nan 8.360 nan 0.000 0.507 169 S N 0.487 116.173 115.700 -0.024 0.000 2.419 169 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 169 S C 0.390 174.727 174.600 -0.439 0.000 1.019 169 S CA 1.421 59.495 58.200 -0.211 0.000 0.982 169 S CB -0.224 62.847 63.200 -0.214 0.000 0.789 169 S HN 0.547 nan 8.310 nan 0.000 0.490 170 H N 0.109 119.182 119.070 0.005 0.000 2.562 170 H HA 0.241 4.797 4.556 -0.000 0.000 0.249 170 H C 1.256 176.588 175.328 0.007 0.000 1.195 170 H CA -0.382 55.669 56.048 0.004 0.000 0.938 170 H CB 0.114 29.881 29.762 0.008 0.000 1.891 170 H HN 0.358 nan 8.280 nan 0.000 0.595 171 K N 0.758 121.195 120.400 0.063 0.000 2.113 171 K HA -0.273 4.046 4.320 -0.000 0.000 0.208 171 K C 1.734 178.362 176.600 0.047 0.000 1.047 171 K CA 2.035 58.352 56.287 0.051 0.000 0.928 171 K CB 0.191 32.708 32.500 0.029 0.000 0.716 171 K HN 0.451 nan 8.250 nan 0.000 0.446 172 E N 0.973 121.195 120.200 0.035 0.000 2.038 172 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 172 E C 2.136 178.762 176.600 0.044 0.000 1.000 172 E CA 1.288 57.706 56.400 0.030 0.000 0.803 172 E CB -0.115 29.596 29.700 0.018 0.000 0.750 172 E HN 0.365 nan 8.360 nan 0.000 0.448 173 L N 0.969 122.231 121.223 0.065 0.000 1.994 173 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 173 L C 2.243 179.148 176.870 0.058 0.000 1.071 173 L CA 1.678 56.556 54.840 0.064 0.000 0.745 173 L CB -0.519 41.590 42.059 0.083 0.000 0.892 173 L HN 0.244 nan 8.230 nan 0.000 0.431 174 L N -0.401 120.863 121.223 0.069 0.000 2.131 174 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 174 L C 2.693 179.595 176.870 0.054 0.000 1.092 174 L CA 0.989 55.866 54.840 0.061 0.000 0.759 174 L CB -1.018 41.078 42.059 0.062 0.000 0.903 174 L HN 0.430 nan 8.230 nan 0.000 0.435 175 A N 0.250 123.098 122.820 0.046 0.000 1.898 175 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 175 A C 2.411 180.014 177.584 0.032 0.000 1.181 175 A CA 1.845 53.903 52.037 0.036 0.000 0.620 175 A CB -0.402 18.615 19.000 0.029 0.000 0.819 175 A HN 0.310 nan 8.150 nan 0.000 0.442 176 K N -0.130 120.289 120.400 0.031 0.000 1.978 176 K HA -0.156 4.164 4.320 -0.000 0.000 0.214 176 K C 1.946 178.562 176.600 0.027 0.000 1.049 176 K CA 1.828 58.130 56.287 0.025 0.000 0.939 176 K CB -0.457 32.059 32.500 0.026 0.000 0.721 176 K HN 0.469 nan 8.250 nan 0.000 0.441 177 L N 0.498 121.743 121.223 0.037 0.000 2.013 177 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 177 L C 2.726 179.622 176.870 0.044 0.000 1.073 177 L CA 1.516 56.381 54.840 0.042 0.000 0.753 177 L CB -0.817 41.277 42.059 0.059 0.000 0.890 177 L HN 0.348 nan 8.230 nan 0.000 0.432 178 A N -0.220 122.636 122.820 0.059 0.000 1.908 178 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 178 A C 2.337 179.938 177.584 0.028 0.000 1.181 178 A CA 2.038 54.114 52.037 0.064 0.000 0.627 178 A CB -0.848 18.197 19.000 0.074 0.000 0.818 178 A HN 0.225 nan 8.150 nan 0.000 0.445 179 V N 0.037 119.960 119.914 0.015 0.000 2.453 179 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 179 V C 2.345 178.430 176.094 -0.016 0.000 1.048 179 V CA 2.066 64.362 62.300 -0.006 0.000 1.049 179 V CB -0.839 30.979 31.823 -0.008 0.000 0.672 179 V HN 0.639 nan 8.190 nan 0.000 0.457 180 E N 0.725 120.921 120.200 -0.005 0.000 2.077 180 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 180 E C 2.370 178.960 176.600 -0.016 0.000 0.989 180 E CA 1.301 57.696 56.400 -0.008 0.000 0.800 180 E CB -0.361 29.340 29.700 0.002 0.000 0.746 180 E HN 0.584 nan 8.360 nan 0.000 0.452 181 A N 1.185 123.996 122.820 -0.015 0.000 1.883 181 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 181 A C 2.551 180.110 177.584 -0.041 0.000 1.186 181 A CA 1.482 53.499 52.037 -0.034 0.000 0.624 181 A CB -0.802 18.172 19.000 -0.043 0.000 0.822 181 A HN 0.126 nan 8.150 nan 0.000 0.444 182 V N 0.121 120.013 119.914 -0.035 0.000 2.427 182 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 182 V C 2.417 178.471 176.094 -0.065 0.000 1.051 182 V CA 2.257 64.530 62.300 -0.046 0.000 1.048 182 V CB -0.683 31.115 31.823 -0.042 0.000 0.666 182 V HN 0.530 nan 8.190 nan 0.000 0.456 183 K N -0.263 120.094 120.400 -0.072 0.000 2.097 183 K HA -0.235 4.085 4.320 -0.000 0.000 0.205 183 K C 2.283 178.862 176.600 -0.036 0.000 1.050 183 K CA 1.502 57.735 56.287 -0.090 0.000 0.938 183 K CB -0.172 32.282 32.500 -0.077 0.000 0.718 183 K HN 0.318 nan 8.250 nan 0.000 0.442 184 Q N 1.052 120.839 119.800 -0.022 0.000 2.050 184 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 184 Q C 1.897 177.898 176.000 0.002 0.000 0.980 184 Q CA 1.742 57.542 55.803 -0.005 0.000 0.840 184 Q CB -0.051 28.681 28.738 -0.010 0.000 0.898 184 Q HN 0.275 nan 8.270 nan 0.000 0.424 185 V N -2.033 117.874 119.914 -0.012 0.000 3.406 185 V HA 0.435 4.555 4.120 -0.000 0.000 0.263 185 V C 0.896 177.002 176.094 0.019 0.000 1.172 185 V CA 0.289 62.585 62.300 -0.006 0.000 1.140 185 V CB -1.230 30.576 31.823 -0.029 0.000 0.784 185 V HN 0.300 nan 8.190 nan 0.000 0.467 186 A N 0.930 123.766 122.820 0.027 0.000 2.531 186 A HA 0.353 4.673 4.320 -0.000 0.000 0.236 186 A C 0.231 177.913 177.584 0.162 0.000 1.062 186 A CA 0.168 52.255 52.037 0.083 0.000 0.760 186 A CB -0.183 18.826 19.000 0.014 0.000 0.995 186 A HN 0.727 nan 8.150 nan 0.000 0.501 187 E N 0.741 121.052 120.200 0.184 0.000 2.210 187 E HA 0.344 4.694 4.350 -0.000 0.000 0.266 187 E C -0.850 175.804 176.600 0.090 0.000 0.883 187 E CA -0.622 55.850 56.400 0.120 0.000 0.761 187 E CB 1.946 31.679 29.700 0.056 0.000 1.156 187 E HN 0.583 nan 8.360 nan 0.000 0.412 188 K N 3.494 123.866 120.400 -0.048 0.000 2.263 188 K HA 0.141 4.461 4.320 -0.000 0.000 0.272 188 K C 0.740 177.241 176.600 -0.165 0.000 1.033 188 K CA -0.236 55.877 56.287 -0.290 0.000 0.884 188 K CB 0.656 32.840 32.500 -0.525 0.000 1.107 188 K HN 0.465 nan 8.250 nan 0.000 0.460 189 K N 2.184 122.502 120.400 -0.136 0.000 2.017 189 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 189 K C -0.343 176.201 176.600 -0.093 0.000 1.035 189 K CA 1.111 57.348 56.287 -0.083 0.000 0.947 189 K CB 0.007 32.476 32.500 -0.053 0.000 0.749 189 K HN 0.513 nan 8.250 nan 0.000 0.443 190 D N -1.288 119.051 120.400 -0.102 0.000 2.968 190 D HA 0.300 4.940 4.640 -0.000 0.000 0.301 190 D C 0.392 176.631 176.300 -0.102 0.000 1.226 190 D CA -0.205 53.743 54.000 -0.087 0.000 0.746 190 D CB 0.973 41.740 40.800 -0.054 0.000 1.278 190 D HN 0.520 nan 8.370 nan 0.000 0.544 191 G N 0.495 109.198 108.800 -0.162 0.000 2.299 191 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.237 191 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.237 191 G C 0.115 174.906 174.900 -0.182 0.000 1.027 191 G CA -0.211 44.795 45.100 -0.157 0.000 0.619 191 G HN 0.362 nan 8.290 nan 0.000 0.513 192 K N 0.730 121.039 120.400 -0.152 0.000 2.213 192 K HA 0.594 4.913 4.320 -0.000 0.000 0.270 192 K C -0.517 176.013 176.600 -0.118 0.000 1.002 192 K CA -0.633 55.608 56.287 -0.078 0.000 0.868 192 K CB 1.045 33.532 32.500 -0.022 0.000 1.093 192 K HN 0.314 nan 8.250 nan 0.000 0.454 193 Y N 0.287 120.589 120.300 0.002 0.000 2.316 193 Y HA 0.365 4.914 4.550 -0.000 0.000 0.324 193 Y C 0.488 176.389 175.900 0.002 0.000 1.267 193 Y CA -0.435 57.666 58.100 0.002 0.000 1.311 193 Y CB 1.509 39.971 38.460 0.003 0.000 1.267 193 Y HN 0.206 nan 8.280 nan 0.000 0.516 194 V N 3.187 123.211 119.914 0.183 0.000 2.733 194 V HA 0.648 4.768 4.120 -0.000 0.000 0.306 194 V C -1.738 174.411 176.094 0.093 0.000 1.084 194 V CA -0.650 61.711 62.300 0.102 0.000 0.905 194 V CB 1.880 33.737 31.823 0.056 0.000 1.010 194 V HN 0.494 nan 8.190 nan 0.000 0.424 195 V N 5.648 125.598 119.914 0.061 0.000 2.487 195 V HA 0.516 4.636 4.120 -0.000 0.000 0.298 195 V C -0.622 175.485 176.094 0.021 0.000 1.028 195 V CA -0.559 61.763 62.300 0.037 0.000 0.860 195 V CB 1.809 33.643 31.823 0.019 0.000 0.991 195 V HN 0.914 nan 8.190 nan 0.000 0.427 196 D N 4.141 124.548 120.400 0.012 0.000 2.373 196 D HA 0.320 4.960 4.640 -0.000 0.000 0.227 196 D C 0.916 177.210 176.300 -0.011 0.000 1.091 196 D CA -0.266 53.736 54.000 0.003 0.000 0.840 196 D CB 1.729 42.528 40.800 -0.001 0.000 1.060 196 D HN 0.444 nan 8.370 nan 0.000 0.502 197 L N 2.628 123.848 121.223 -0.006 0.000 2.275 197 L HA -0.103 4.236 4.340 -0.000 0.000 0.215 197 L C 1.517 178.363 176.870 -0.040 0.000 1.119 197 L CA 0.583 55.414 54.840 -0.015 0.000 0.790 197 L CB -0.040 42.031 42.059 0.019 0.000 0.919 197 L HN 0.351 nan 8.230 nan 0.000 0.443 198 D N 0.244 120.626 120.400 -0.029 0.000 2.309 198 D HA -0.141 4.499 4.640 -0.000 0.000 0.212 198 D C 1.500 177.758 176.300 -0.071 0.000 0.968 198 D CA 0.795 54.770 54.000 -0.041 0.000 0.882 198 D CB -0.161 40.623 40.800 -0.026 0.000 0.918 198 D HN 0.367 nan 8.370 nan 0.000 0.503 199 N N 0.308 118.966 118.700 -0.070 0.000 2.515 199 N HA -0.021 4.719 4.740 -0.000 0.000 0.185 199 N C 0.317 175.751 175.510 -0.125 0.000 1.109 199 N CA 0.353 53.355 53.050 -0.081 0.000 0.903 199 N CB 0.784 39.239 38.487 -0.055 0.000 0.969 199 N HN 0.225 nan 8.380 nan 0.000 0.450 200 I N 1.078 121.542 120.570 -0.176 0.000 2.362 200 I HA 0.230 4.400 4.170 -0.000 0.000 0.289 200 I C 0.318 176.171 176.117 -0.439 0.000 0.994 200 I CA -0.620 60.500 61.300 -0.300 0.000 1.158 200 I CB 1.733 39.532 38.000 -0.335 0.000 1.315 200 I HN -0.176 nan 8.210 nan 0.000 0.451 201 K N 6.037 126.182 120.400 -0.426 0.000 2.156 201 K HA 0.624 4.944 4.320 -0.000 0.000 0.254 201 K C -1.650 174.649 176.600 -0.502 0.000 0.950 201 K CA -0.386 55.672 56.287 -0.382 0.000 0.849 201 K CB 1.465 33.843 32.500 -0.202 0.000 1.100 201 K HN 0.289 nan 8.250 nan 0.000 0.434 202 F N 1.951 121.878 119.950 -0.038 0.000 2.449 202 F HA 0.271 4.797 4.527 -0.000 0.000 0.342 202 F C -0.146 175.628 175.800 -0.043 0.000 1.127 202 F CA -0.843 57.137 58.000 -0.034 0.000 0.975 202 F CB 1.954 40.939 39.000 -0.025 0.000 1.146 202 F HN 0.494 nan 8.300 nan 0.000 0.444 203 E N 3.828 124.098 120.200 0.117 0.000 2.176 203 E HA 0.389 4.738 4.350 -0.000 0.000 0.267 203 E C -1.402 175.227 176.600 0.048 0.000 0.893 203 E CA -0.768 55.655 56.400 0.037 0.000 0.761 203 E CB 1.137 30.812 29.700 -0.042 0.000 1.133 203 E HN 0.436 nan 8.360 nan 0.000 0.409 204 K N 3.656 124.073 120.400 0.029 0.000 2.206 204 K HA 0.538 4.858 4.320 -0.000 0.000 0.264 204 K C -0.748 175.858 176.600 0.010 0.000 0.967 204 K CA -1.043 55.255 56.287 0.018 0.000 0.844 204 K CB 1.366 33.867 32.500 0.002 0.000 1.099 204 K HN 0.151 nan 8.250 nan 0.000 0.441 205 K N 1.810 122.219 120.400 0.015 0.000 2.656 205 K HA 0.301 4.620 4.320 -0.000 0.000 0.253 205 K C -0.983 175.626 176.600 0.015 0.000 1.002 205 K CA -0.515 55.783 56.287 0.018 0.000 0.880 205 K CB 1.979 34.502 32.500 0.038 0.000 1.232 205 K HN 0.824 nan 8.250 nan 0.000 0.456 206 A N 1.291 124.115 122.820 0.007 0.000 2.466 206 A HA 0.659 4.979 4.320 -0.000 0.000 0.238 206 A C 0.609 178.200 177.584 0.012 0.000 1.074 206 A CA 1.138 53.179 52.037 0.006 0.000 0.774 206 A CB 0.047 19.049 19.000 0.003 0.000 1.015 206 A HN 0.898 nan 8.150 nan 0.000 0.498 207 G N 0.315 109.121 108.800 0.010 0.000 2.465 207 G HA2 0.452 4.411 3.960 -0.000 0.000 0.681 207 G HA3 0.452 4.411 3.960 -0.000 0.000 0.681 207 G C -0.452 174.452 174.900 0.007 0.000 1.340 207 G CA -0.060 45.047 45.100 0.012 0.000 0.884 207 G HN 1.471 nan 8.290 nan 0.000 0.650 208 E N -1.784 118.419 120.200 0.005 0.000 3.642 208 E HA -0.111 4.239 4.350 -0.000 0.000 0.245 208 E C 0.820 177.416 176.600 -0.007 0.000 1.486 208 E CA 1.799 58.198 56.400 -0.001 0.000 2.265 208 E CB -1.307 28.390 29.700 -0.004 0.000 2.084 208 E HN 2.084 nan 8.360 nan 0.000 0.472 209 G N -1.512 107.274 108.800 -0.024 0.000 2.630 209 G HA2 0.489 4.449 3.960 -0.000 0.000 0.296 209 G HA3 0.489 4.449 3.960 -0.000 0.000 0.296 209 G C 0.814 175.646 174.900 -0.113 0.000 1.285 209 G CA -0.117 44.955 45.100 -0.046 0.000 0.958 209 G HN 0.262 nan 8.290 nan 0.000 0.479 210 V N -0.073 119.726 119.914 -0.192 0.000 2.453 210 V HA -0.170 3.949 4.120 -0.000 0.000 0.252 210 V C 2.700 178.556 176.094 -0.396 0.000 1.068 210 V CA 2.462 64.590 62.300 -0.287 0.000 1.070 210 V CB -0.413 31.204 31.823 -0.344 0.000 0.664 210 V HN 0.826 nan 8.190 nan 0.000 0.461 211 E N 0.784 120.679 120.200 -0.509 0.000 2.171 211 E HA -0.241 4.109 4.350 -0.000 0.000 0.197 211 E C 1.800 178.335 176.600 -0.109 0.000 0.997 211 E CA 1.308 57.535 56.400 -0.288 0.000 0.810 211 E CB -0.165 29.489 29.700 -0.078 0.000 0.738 211 E HN 0.612 nan 8.360 nan 0.000 0.467 212 E N -0.115 120.033 120.200 -0.085 0.000 2.502 212 E HA 0.114 4.464 4.350 -0.000 0.000 0.194 212 E C -0.142 176.448 176.600 -0.017 0.000 1.062 212 E CA 0.026 56.405 56.400 -0.034 0.000 0.867 212 E CB 0.224 29.912 29.700 -0.020 0.000 0.888 212 E HN 0.021 nan 8.360 nan 0.000 0.510 213 S N 1.352 117.031 115.700 -0.034 0.000 2.573 213 S HA 0.202 4.672 4.470 -0.000 0.000 0.277 213 S C 0.319 174.932 174.600 0.022 0.000 1.346 213 S CA -0.174 58.027 58.200 0.001 0.000 1.034 213 S CB 0.488 63.682 63.200 -0.010 0.000 0.879 213 S HN 0.328 nan 8.310 nan 0.000 0.528 214 E N 0.079 120.307 120.200 0.046 0.000 2.437 214 E HA 0.567 4.916 4.350 -0.000 0.000 0.280 214 E C -1.791 174.843 176.600 0.057 0.000 1.044 214 E CA -1.016 55.413 56.400 0.049 0.000 0.826 214 E CB 0.722 30.453 29.700 0.051 0.000 1.358 214 E HN 0.317 nan 8.360 nan 0.000 0.459 215 L N 1.506 122.757 121.223 0.047 0.000 2.296 215 L HA 0.471 4.811 4.340 -0.000 0.000 0.286 215 L C -1.413 175.482 176.870 0.041 0.000 1.023 215 L CA -0.671 54.191 54.840 0.036 0.000 0.812 215 L CB 1.686 43.759 42.059 0.024 0.000 1.223 215 L HN 0.519 nan 8.230 nan 0.000 0.421 216 V N 6.246 126.183 119.914 0.039 0.000 2.328 216 V HA 0.411 4.531 4.120 -0.000 0.000 0.278 216 V C 0.522 176.628 176.094 0.020 0.000 1.021 216 V CA -0.614 61.719 62.300 0.055 0.000 0.838 216 V CB 1.012 32.886 31.823 0.085 0.000 0.999 216 V HN 0.635 nan 8.190 nan 0.000 0.447 217 R N 4.432 124.947 120.500 0.025 0.000 3.688 217 R HA 0.476 4.816 4.340 -0.000 0.000 0.194 217 R C 0.779 177.083 176.300 0.008 0.000 1.677 217 R CA 0.371 56.478 56.100 0.012 0.000 1.351 217 R CB -0.033 30.280 30.300 0.023 0.000 1.338 217 R HN 0.960 nan 8.270 nan 0.000 0.731 218 G N -0.444 108.348 108.800 -0.014 0.000 2.513 218 G HA2 0.105 4.065 3.960 -0.000 0.000 0.182 218 G HA3 0.105 4.065 3.960 -0.000 0.000 0.182 218 G C -1.427 173.433 174.900 -0.066 0.000 1.190 218 G CA -0.665 44.416 45.100 -0.031 0.000 0.987 218 G HN 0.105 nan 8.290 nan 0.000 0.479 219 V N -0.343 119.518 119.914 -0.089 0.000 3.001 219 V HA 0.788 4.908 4.120 -0.000 0.000 0.314 219 V C -0.467 175.523 176.094 -0.173 0.000 1.099 219 V CA -0.743 61.472 62.300 -0.142 0.000 0.989 219 V CB 1.945 33.650 31.823 -0.196 0.000 1.040 219 V HN 0.843 nan 8.190 nan 0.000 0.434 220 V N 4.019 123.791 119.914 -0.237 0.000 2.419 220 V HA 0.498 4.618 4.120 -0.000 0.000 0.287 220 V C -0.521 175.396 176.094 -0.296 0.000 1.017 220 V CA -0.192 61.866 62.300 -0.403 0.000 0.844 220 V CB 1.384 32.893 31.823 -0.522 0.000 1.011 220 V HN 0.657 nan 8.190 nan 0.000 0.429 221 I N 3.029 123.453 120.570 -0.243 0.000 2.359 221 I HA 0.368 4.537 4.170 -0.000 0.000 0.294 221 I C 0.006 176.060 176.117 -0.105 0.000 0.987 221 I CA -0.433 60.783 61.300 -0.140 0.000 1.225 221 I CB 1.731 39.687 38.000 -0.073 0.000 1.366 221 I HN 0.493 nan 8.210 nan 0.000 0.466 222 D N 7.251 127.607 120.400 -0.073 0.000 2.551 222 D HA 0.194 4.834 4.640 -0.000 0.000 0.223 222 D C -0.530 175.768 176.300 -0.004 0.000 1.144 222 D CA 0.281 54.256 54.000 -0.042 0.000 1.025 222 D CB 0.133 40.912 40.800 -0.035 0.000 1.085 222 D HN 0.235 nan 8.370 nan 0.000 0.506 223 K N 1.406 121.816 120.400 0.017 0.000 2.548 223 K HA 0.412 4.732 4.320 -0.000 0.000 0.282 223 K C -0.543 176.088 176.600 0.050 0.000 1.006 223 K CA -0.695 55.618 56.287 0.043 0.000 0.892 223 K CB 1.759 34.306 32.500 0.079 0.000 1.499 223 K HN 0.230 nan 8.250 nan 0.000 0.433 224 E N 0.405 120.632 120.200 0.044 0.000 2.263 224 E HA 0.374 4.724 4.350 -0.000 0.000 0.264 224 E C -0.684 175.932 176.600 0.027 0.000 0.923 224 E CA -1.072 55.350 56.400 0.037 0.000 0.802 224 E CB 2.242 31.957 29.700 0.025 0.000 1.228 224 E HN 0.112 nan 8.360 nan 0.000 0.417 225 V N 2.483 122.408 119.914 0.018 0.000 2.572 225 V HA -0.076 4.044 4.120 -0.000 0.000 0.291 225 V C 1.332 177.434 176.094 0.013 0.000 1.039 225 V CA 0.363 62.663 62.300 0.001 0.000 1.055 225 V CB 1.194 33.018 31.823 0.001 0.000 0.969 225 V HN 0.635 nan 8.190 nan 0.000 0.482 226 V N 4.105 124.030 119.914 0.019 0.000 2.343 226 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 226 V C 0.915 177.059 176.094 0.085 0.000 1.051 226 V CA 1.957 64.285 62.300 0.045 0.000 1.036 226 V CB -0.355 31.495 31.823 0.045 0.000 0.654 226 V HN 1.019 nan 8.190 nan 0.000 0.451 227 H N -1.212 117.855 119.070 -0.004 0.000 2.529 227 H HA 0.406 4.961 4.556 -0.000 0.000 0.348 227 H C -1.810 173.519 175.328 0.002 0.000 1.152 227 H CA -1.882 54.168 56.048 0.004 0.000 1.202 227 H CB 2.089 31.857 29.762 0.009 0.000 1.562 227 H HN -0.060 nan 8.280 nan 0.000 0.515 228 P HA -0.100 nan 4.420 nan 0.000 0.217 228 P C 1.103 178.320 177.300 -0.139 0.000 1.150 228 P CA 1.109 64.023 63.100 -0.310 0.000 0.832 228 P CB 0.343 31.827 31.700 -0.361 0.000 0.787 229 R N -1.306 119.168 120.500 -0.043 0.000 2.313 229 R HA 0.171 4.511 4.340 -0.000 0.000 0.199 229 R C 0.893 177.278 176.300 0.141 0.000 0.958 229 R CA 0.275 56.458 56.100 0.139 0.000 1.047 229 R CB -0.457 29.995 30.300 0.253 0.000 0.955 229 R HN 0.360 nan 8.270 nan 0.000 0.481 230 M N 1.066 120.754 119.600 0.148 0.000 2.228 230 M HA 0.196 4.676 4.480 -0.000 0.000 0.326 230 M C -2.039 174.284 176.300 0.038 0.000 1.122 230 M CA -1.654 53.695 55.300 0.081 0.000 1.161 230 M CB 0.145 32.788 32.600 0.070 0.000 1.437 230 M HN -0.291 nan 8.290 nan 0.000 0.465 231 P HA 0.057 nan 4.420 nan 0.000 0.269 231 P C -0.268 177.036 177.300 0.008 0.000 1.209 231 P CA -0.095 63.013 63.100 0.013 0.000 0.776 231 P CB 0.505 32.211 31.700 0.009 0.000 0.876 232 K N 1.428 121.833 120.400 0.009 0.000 2.393 232 K HA 0.108 4.428 4.320 -0.000 0.000 0.193 232 K C 0.678 177.287 176.600 0.015 0.000 1.026 232 K CA 0.487 56.781 56.287 0.012 0.000 1.064 232 K CB 0.428 32.934 32.500 0.010 0.000 0.833 232 K HN 0.438 nan 8.250 nan 0.000 0.521 233 R N 0.040 120.546 120.500 0.010 0.000 2.566 233 R HA 0.334 4.674 4.340 -0.000 0.000 0.271 233 R C -1.832 174.472 176.300 0.006 0.000 1.071 233 R CA -0.346 55.760 56.100 0.011 0.000 0.915 233 R CB 1.753 32.056 30.300 0.005 0.000 1.228 233 R HN -0.225 nan 8.270 nan 0.000 0.449 234 V N 4.201 124.118 119.914 0.005 0.000 2.577 234 V HA 0.236 4.356 4.120 -0.000 0.000 0.303 234 V C 0.508 176.600 176.094 -0.003 0.000 1.042 234 V CA -0.753 61.548 62.300 0.001 0.000 0.872 234 V CB 1.738 33.559 31.823 -0.005 0.000 0.998 234 V HN 0.826 nan 8.190 nan 0.000 0.423 235 E N 2.570 122.773 120.200 0.006 0.000 1.964 235 E HA -0.028 4.322 4.350 -0.000 0.000 0.203 235 E C 0.498 177.100 176.600 0.003 0.000 0.952 235 E CA 0.965 57.371 56.400 0.011 0.000 0.892 235 E CB -0.070 29.647 29.700 0.028 0.000 0.831 235 E HN 0.619 nan 8.360 nan 0.000 0.548 236 N N 1.692 120.421 118.700 0.049 0.000 3.245 236 N HA 0.237 4.977 4.740 -0.000 0.000 0.296 236 N C -0.608 174.931 175.510 0.049 0.000 1.254 236 N CA -0.000 53.111 53.050 0.102 0.000 1.190 236 N CB 0.381 39.025 38.487 0.261 0.000 1.460 236 N HN 0.133 nan 8.380 nan 0.000 0.538 237 A N 1.644 124.419 122.820 -0.076 0.000 2.561 237 A HA 0.002 4.322 4.320 -0.000 0.000 0.234 237 A C 0.456 178.038 177.584 -0.003 0.000 1.055 237 A CA 0.406 52.415 52.037 -0.046 0.000 0.756 237 A CB 0.342 19.304 19.000 -0.063 0.000 0.986 237 A HN 0.377 nan 8.150 nan 0.000 0.505 238 K N 2.227 122.653 120.400 0.043 0.000 2.464 238 K HA 0.405 4.725 4.320 -0.000 0.000 0.252 238 K C -1.433 175.202 176.600 0.058 0.000 1.000 238 K CA -0.304 56.028 56.287 0.075 0.000 0.951 238 K CB 1.189 33.732 32.500 0.072 0.000 1.183 238 K HN 0.546 nan 8.250 nan 0.000 0.445 239 I N 2.627 123.245 120.570 0.079 0.000 2.371 239 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 239 I C 0.288 176.472 176.117 0.111 0.000 1.028 239 I CA -0.013 61.356 61.300 0.115 0.000 1.345 239 I CB 1.408 39.514 38.000 0.177 0.000 1.407 239 I HN 0.534 nan 8.210 nan 0.000 0.501 240 A N 7.045 129.927 122.820 0.104 0.000 2.292 240 A HA 0.802 5.122 4.320 -0.000 0.000 0.319 240 A C -0.955 176.707 177.584 0.130 0.000 1.206 240 A CA -0.465 51.625 52.037 0.088 0.000 0.835 240 A CB 0.562 19.591 19.000 0.049 0.000 1.164 240 A HN 0.506 nan 8.150 nan 0.000 0.505 241 L N 4.252 125.538 121.223 0.104 0.000 2.318 241 L HA 0.472 4.812 4.340 -0.000 0.000 0.277 241 L C -0.747 176.164 176.870 0.068 0.000 1.008 241 L CA -0.046 54.858 54.840 0.107 0.000 0.846 241 L CB 1.173 43.275 42.059 0.071 0.000 1.220 241 L HN 0.506 nan 8.230 nan 0.000 0.423 242 I N 2.871 123.483 120.570 0.070 0.000 2.509 242 I HA 0.379 4.549 4.170 -0.000 0.000 0.293 242 I C 0.574 176.715 176.117 0.040 0.000 1.020 242 I CA -0.505 60.819 61.300 0.040 0.000 1.088 242 I CB 1.778 39.795 38.000 0.028 0.000 1.267 242 I HN 0.573 nan 8.210 nan 0.000 0.430 243 N N 3.355 122.069 118.700 0.024 0.000 2.294 243 N HA -0.037 4.703 4.740 -0.000 0.000 0.186 243 N C 0.227 175.746 175.510 0.015 0.000 1.107 243 N CA -0.200 52.863 53.050 0.022 0.000 0.884 243 N CB 0.130 38.626 38.487 0.014 0.000 1.030 243 N HN 0.702 nan 8.380 nan 0.000 0.482 244 E N 0.696 120.901 120.200 0.008 0.000 2.366 244 E HA 0.491 4.841 4.350 -0.000 0.000 0.266 244 E C -0.393 176.211 176.600 0.008 0.000 1.051 244 E CA -1.006 55.397 56.400 0.004 0.000 0.884 244 E CB 1.044 30.741 29.700 -0.005 0.000 1.006 244 E HN 0.241 nan 8.360 nan 0.000 0.417 245 A N 3.082 125.907 122.820 0.009 0.000 2.483 245 A HA 0.164 4.484 4.320 -0.000 0.000 0.238 245 A C -0.236 177.355 177.584 0.011 0.000 1.070 245 A CA -0.470 51.575 52.037 0.013 0.000 0.770 245 A CB 0.109 19.117 19.000 0.014 0.000 1.008 245 A HN 0.541 nan 8.150 nan 0.000 0.497 246 L N 2.963 124.196 121.223 0.016 0.000 2.389 246 L HA 0.332 4.671 4.340 -0.000 0.000 0.265 246 L C 0.555 177.442 176.870 0.027 0.000 1.167 246 L CA 0.680 55.531 54.840 0.018 0.000 1.045 246 L CB -0.936 41.136 42.059 0.021 0.000 1.351 246 L HN 0.929 nan 8.230 nan 0.000 0.419 247 E N 0.443 120.657 120.200 0.023 0.000 2.442 247 E HA 0.345 4.695 4.350 -0.000 0.000 0.278 247 E C -1.248 175.367 176.600 0.025 0.000 1.082 247 E CA -1.080 55.337 56.400 0.029 0.000 0.861 247 E CB 1.219 30.934 29.700 0.025 0.000 1.462 247 E HN -0.191 nan 8.360 nan 0.000 0.458 248 V N 2.415 122.346 119.914 0.029 0.000 2.434 248 V HA 0.023 4.143 4.120 -0.000 0.000 0.281 248 V C 0.368 176.474 176.094 0.019 0.000 1.005 248 V CA 0.292 62.608 62.300 0.028 0.000 1.089 248 V CB -0.526 31.318 31.823 0.034 0.000 0.978 248 V HN 0.438 nan 8.190 nan 0.000 0.474 249 K N 5.365 125.774 120.400 0.015 0.000 2.295 249 K HA 0.416 4.735 4.320 -0.000 0.000 0.270 249 K C -0.347 176.260 176.600 0.011 0.000 1.011 249 K CA -0.362 55.931 56.287 0.010 0.000 0.953 249 K CB 1.044 33.547 32.500 0.004 0.000 0.956 249 K HN 0.561 nan 8.250 nan 0.000 0.477 250 K N 1.022 121.426 120.400 0.007 0.000 2.375 250 K HA 0.198 4.518 4.320 -0.000 0.000 0.249 250 K C -0.260 176.341 176.600 0.002 0.000 0.942 250 K CA -0.708 55.582 56.287 0.004 0.000 0.806 250 K CB 1.838 34.339 32.500 0.000 0.000 1.227 250 K HN 0.668 nan 8.250 nan 0.000 0.430 251 T N -1.083 113.472 114.554 0.002 0.000 2.856 251 T HA 0.023 4.372 4.350 -0.000 0.000 0.306 251 T C 1.072 175.771 174.700 -0.001 0.000 1.062 251 T CA -0.300 61.800 62.100 0.001 0.000 1.083 251 T CB 0.897 69.766 68.868 0.002 0.000 0.984 251 T HN 0.590 nan 8.240 nan 0.000 0.542 252 E N 0.747 120.947 120.200 -0.001 0.000 2.107 252 E HA 0.041 4.391 4.350 -0.000 0.000 0.191 252 E C 0.718 177.316 176.600 -0.002 0.000 0.982 252 E CA 0.786 57.185 56.400 -0.002 0.000 0.809 252 E CB -0.385 29.314 29.700 -0.001 0.000 0.756 252 E HN 0.799 nan 8.360 nan 0.000 0.459 253 T N 2.081 116.633 114.554 -0.002 0.000 2.901 253 T HA 0.054 4.403 4.350 -0.000 0.000 0.301 253 T C -0.344 174.353 174.700 -0.005 0.000 1.012 253 T CA -0.442 61.656 62.100 -0.003 0.000 1.135 253 T CB 0.529 69.397 68.868 -0.001 0.000 0.936 253 T HN 0.004 nan 8.240 nan 0.000 0.539 254 D N 1.666 122.062 120.400 -0.006 0.000 2.449 254 D HA 0.444 5.084 4.640 -0.000 0.000 0.236 254 D C 0.010 176.302 176.300 -0.012 0.000 1.149 254 D CA 0.390 54.384 54.000 -0.010 0.000 0.878 254 D CB 0.484 41.278 40.800 -0.010 0.000 1.198 254 D HN 0.729 nan 8.370 nan 0.000 0.446 255 A N 1.426 124.235 122.820 -0.018 0.000 2.612 255 A HA 0.678 4.998 4.320 -0.000 0.000 0.293 255 A C -0.990 176.570 177.584 -0.041 0.000 1.075 255 A CA -0.783 51.239 52.037 -0.025 0.000 0.680 255 A CB 1.827 20.815 19.000 -0.020 0.000 1.279 255 A HN 0.427 nan 8.150 nan 0.000 0.411 256 K N 1.369 121.735 120.400 -0.056 0.000 2.557 256 K HA 0.563 4.883 4.320 -0.000 0.000 0.257 256 K C -1.728 174.799 176.600 -0.122 0.000 0.933 256 K CA -0.594 55.644 56.287 -0.081 0.000 0.820 256 K CB 1.383 33.846 32.500 -0.061 0.000 1.330 256 K HN 0.669 nan 8.250 nan 0.000 0.432 257 I N 3.401 123.852 120.570 -0.198 0.000 2.416 257 I HA 0.121 4.291 4.170 -0.000 0.000 0.288 257 I C -0.076 175.911 176.117 -0.217 0.000 1.051 257 I CA -0.457 60.649 61.300 -0.324 0.000 1.375 257 I CB 0.742 38.363 38.000 -0.631 0.000 1.407 257 I HN 0.377 nan 8.210 nan 0.000 0.516 258 N N 7.612 126.220 118.700 -0.153 0.000 2.546 258 N HA 0.344 5.083 4.740 -0.000 0.000 0.238 258 N C -0.679 174.809 175.510 -0.037 0.000 0.984 258 N CA -0.476 52.530 53.050 -0.073 0.000 0.935 258 N CB 1.396 39.864 38.487 -0.032 0.000 1.122 258 N HN 0.359 nan 8.380 nan 0.000 0.510 259 I N 1.325 121.873 120.570 -0.036 0.000 2.371 259 I HA 0.075 4.244 4.170 -0.000 0.000 0.290 259 I C 1.754 177.892 176.117 0.034 0.000 1.028 259 I CA 0.111 61.427 61.300 0.026 0.000 1.345 259 I CB 1.043 39.054 38.000 0.018 0.000 1.407 259 I HN 0.451 nan 8.210 nan 0.000 0.501 260 T N -0.428 114.160 114.554 0.056 0.000 2.975 260 T HA 0.279 4.629 4.350 -0.000 0.000 0.257 260 T C 0.362 175.086 174.700 0.040 0.000 1.003 260 T CA 0.087 62.211 62.100 0.040 0.000 0.932 260 T CB 0.009 68.900 68.868 0.037 0.000 1.087 260 T HN 0.552 nan 8.240 nan 0.000 0.512 261 S N 0.393 116.124 115.700 0.053 0.000 2.541 261 S HA 0.581 5.051 4.470 -0.000 0.000 0.271 261 S C -2.777 171.853 174.600 0.050 0.000 1.133 261 S CA -1.270 56.956 58.200 0.043 0.000 0.876 261 S CB 1.976 65.197 63.200 0.036 0.000 1.105 261 S HN -0.187 nan 8.310 nan 0.000 0.470 262 P HA -0.176 nan 4.420 nan 0.000 0.216 262 P C 1.173 178.498 177.300 0.041 0.000 1.150 262 P CA 1.644 64.765 63.100 0.036 0.000 0.843 262 P CB -0.118 31.597 31.700 0.025 0.000 0.787 263 D N -0.297 120.122 120.400 0.032 0.000 2.311 263 D HA -0.217 4.422 4.640 -0.000 0.000 0.212 263 D C 1.492 177.810 176.300 0.029 0.000 0.972 263 D CA 1.129 55.142 54.000 0.022 0.000 0.887 263 D CB -0.664 40.140 40.800 0.006 0.000 0.915 263 D HN 0.317 nan 8.370 nan 0.000 0.497 264 Q N -0.167 119.678 119.800 0.074 0.000 2.331 264 Q HA 0.133 4.473 4.340 -0.000 0.000 0.203 264 Q C 2.545 178.684 176.000 0.232 0.000 0.944 264 Q CA 0.096 55.991 55.803 0.154 0.000 0.892 264 Q CB 0.162 29.078 28.738 0.296 0.000 0.983 264 Q HN 0.329 nan 8.270 nan 0.000 0.482 265 L N -0.123 121.187 121.223 0.145 0.000 2.127 265 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 265 L C 2.287 179.224 176.870 0.111 0.000 1.089 265 L CA 0.813 55.727 54.840 0.123 0.000 0.757 265 L CB -0.230 41.871 42.059 0.070 0.000 0.899 265 L HN 0.367 nan 8.230 nan 0.000 0.434 266 M N -1.001 118.644 119.600 0.075 0.000 2.325 266 M HA -0.051 4.429 4.480 -0.000 0.000 0.265 266 M C 2.710 179.028 176.300 0.029 0.000 1.094 266 M CA 1.518 56.847 55.300 0.048 0.000 1.161 266 M CB -0.687 31.928 32.600 0.024 0.000 1.358 266 M HN 0.332 nan 8.290 nan 0.000 0.446 267 S N 0.286 115.976 115.700 -0.017 0.000 2.368 267 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 267 S C 1.910 176.414 174.600 -0.159 0.000 1.030 267 S CA 1.129 59.254 58.200 -0.124 0.000 0.999 267 S CB -1.053 62.005 63.200 -0.236 0.000 0.844 267 S HN 0.353 nan 8.310 nan 0.000 0.459 268 F N 0.836 120.791 119.950 0.008 0.000 2.259 268 F HA 0.157 4.684 4.527 -0.000 0.000 0.298 268 F C 2.183 177.990 175.800 0.011 0.000 1.088 268 F CA 0.358 58.362 58.000 0.008 0.000 1.358 268 F CB -0.323 38.681 39.000 0.007 0.000 1.040 268 F HN 0.202 nan 8.300 nan 0.000 0.505 269 L N 0.412 121.744 121.223 0.181 0.000 2.046 269 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 269 L C 2.131 179.047 176.870 0.077 0.000 1.077 269 L CA 1.807 56.715 54.840 0.112 0.000 0.747 269 L CB -0.854 41.255 42.059 0.083 0.000 0.896 269 L HN 0.150 nan 8.230 nan 0.000 0.432 270 E N -1.566 118.664 120.200 0.049 0.000 2.208 270 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 270 E C 2.005 178.618 176.600 0.022 0.000 0.988 270 E CA 0.694 57.111 56.400 0.029 0.000 0.828 270 E CB -0.038 29.664 29.700 0.004 0.000 0.763 270 E HN 0.366 nan 8.360 nan 0.000 0.478 271 Q N 1.443 121.253 119.800 0.016 0.000 2.172 271 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 271 Q C 1.528 177.556 176.000 0.048 0.000 0.964 271 Q CA 1.426 57.237 55.803 0.014 0.000 0.855 271 Q CB 0.143 28.879 28.738 -0.003 0.000 0.918 271 Q HN 0.304 nan 8.270 nan 0.000 0.444 272 E N -0.110 120.135 120.200 0.075 0.000 2.107 272 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 272 E C 1.872 178.510 176.600 0.064 0.000 0.982 272 E CA 1.042 57.485 56.400 0.072 0.000 0.809 272 E CB 0.007 29.756 29.700 0.081 0.000 0.756 272 E HN 0.531 nan 8.360 nan 0.000 0.459 273 E N 1.298 121.540 120.200 0.069 0.000 2.051 273 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 273 E C 2.085 178.719 176.600 0.057 0.000 0.991 273 E CA 0.884 57.338 56.400 0.089 0.000 0.799 273 E CB -0.072 29.688 29.700 0.099 0.000 0.748 273 E HN 0.065 nan 8.360 nan 0.000 0.449 274 K N 0.824 121.240 120.400 0.027 0.000 2.063 274 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 274 K C 2.153 178.745 176.600 -0.013 0.000 1.048 274 K CA 1.419 57.702 56.287 -0.008 0.000 0.928 274 K CB -0.023 32.472 32.500 -0.009 0.000 0.713 274 K HN 0.089 nan 8.250 nan 0.000 0.442 275 M N 0.203 119.809 119.600 0.008 0.000 2.159 275 M HA -0.169 4.311 4.480 -0.000 0.000 0.263 275 M C 2.019 178.322 176.300 0.005 0.000 1.063 275 M CA 1.127 56.431 55.300 0.006 0.000 1.110 275 M CB -0.174 32.438 32.600 0.020 0.000 1.374 275 M HN 0.106 nan 8.290 nan 0.000 0.411 276 L N 0.365 121.604 121.223 0.026 0.000 2.109 276 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 276 L C 2.465 179.343 176.870 0.014 0.000 1.086 276 L CA 1.667 56.536 54.840 0.048 0.000 0.760 276 L CB -0.645 41.478 42.059 0.107 0.000 0.910 276 L HN 0.232 nan 8.230 nan 0.000 0.437 277 K N -0.605 119.753 120.400 -0.069 0.000 2.097 277 K HA -0.158 4.161 4.320 -0.000 0.000 0.205 277 K C 1.371 177.862 176.600 -0.183 0.000 1.050 277 K CA 1.431 57.537 56.287 -0.302 0.000 0.938 277 K CB 0.008 32.241 32.500 -0.445 0.000 0.718 277 K HN 0.270 nan 8.250 nan 0.000 0.442 278 D N 0.643 120.987 120.400 -0.092 0.000 2.224 278 D HA -0.106 4.534 4.640 -0.000 0.000 0.205 278 D C 1.917 178.205 176.300 -0.021 0.000 0.965 278 D CA 0.934 54.906 54.000 -0.048 0.000 0.852 278 D CB 0.019 40.805 40.800 -0.023 0.000 0.947 278 D HN 0.328 nan 8.370 nan 0.000 0.494 279 M N 0.141 119.724 119.600 -0.029 0.000 2.067 279 M HA -0.130 4.350 4.480 -0.000 0.000 0.260 279 M C 2.316 178.602 176.300 -0.023 0.000 1.069 279 M CA 1.041 56.325 55.300 -0.026 0.000 1.117 279 M CB -0.146 32.442 32.600 -0.021 0.000 1.334 279 M HN -0.125 nan 8.290 nan 0.000 0.407 280 V N 0.330 120.216 119.914 -0.048 0.000 2.515 280 V HA -0.246 3.874 4.120 -0.000 0.000 0.250 280 V C 1.719 177.666 176.094 -0.244 0.000 1.058 280 V CA 1.654 63.893 62.300 -0.101 0.000 1.064 280 V CB -0.759 31.050 31.823 -0.022 0.000 0.675 280 V HN 0.393 nan 8.190 nan 0.000 0.461 281 D N -0.928 119.358 120.400 -0.190 0.000 2.097 281 D HA -0.181 4.459 4.640 -0.000 0.000 0.195 281 D C 2.118 178.322 176.300 -0.160 0.000 0.989 281 D CA 1.382 55.255 54.000 -0.212 0.000 0.827 281 D CB -0.408 40.351 40.800 -0.068 0.000 0.966 281 D HN 0.473 nan 8.370 nan 0.000 0.456 282 H N 0.857 119.842 119.070 -0.142 0.000 2.387 282 H HA -0.067 4.489 4.556 -0.000 0.000 0.299 282 H C 2.267 177.526 175.328 -0.115 0.000 1.099 282 H CA 0.976 56.964 56.048 -0.101 0.000 1.315 282 H CB -0.224 29.496 29.762 -0.069 0.000 1.380 282 H HN 0.163 nan 8.280 nan 0.000 0.513 283 I N 0.489 121.081 120.570 0.036 0.000 2.202 283 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 283 I C 2.964 178.998 176.117 -0.139 0.000 1.091 283 I CA 1.010 62.300 61.300 -0.017 0.000 1.368 283 I CB -0.411 37.560 38.000 -0.049 0.000 1.058 283 I HN 0.237 nan 8.210 nan 0.000 0.410 284 A N 0.157 122.799 122.820 -0.297 0.000 1.933 284 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 284 A C 2.226 179.705 177.584 -0.174 0.000 1.175 284 A CA 1.539 53.368 52.037 -0.345 0.000 0.628 284 A CB -0.601 17.856 19.000 -0.904 0.000 0.814 284 A HN 0.490 nan 8.150 nan 0.000 0.444 285 Q N -0.599 119.090 119.800 -0.186 0.000 2.170 285 Q HA -0.135 4.205 4.340 -0.000 0.000 0.203 285 Q C 2.160 178.080 176.000 -0.132 0.000 0.976 285 Q CA 1.825 57.540 55.803 -0.146 0.000 0.858 285 Q CB -0.491 28.123 28.738 -0.207 0.000 0.907 285 Q HN 0.893 nan 8.270 nan 0.000 0.433 286 T N -3.267 111.201 114.554 -0.143 0.000 3.051 286 T HA 0.065 4.415 4.350 -0.000 0.000 0.269 286 T C 1.454 176.130 174.700 -0.040 0.000 1.127 286 T CA 0.829 62.877 62.100 -0.087 0.000 1.107 286 T CB 0.063 68.901 68.868 -0.049 0.000 0.898 286 T HN 0.486 nan 8.240 nan 0.000 0.517 287 G N 0.936 109.714 108.800 -0.038 0.000 2.175 287 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.244 287 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.244 287 G C 0.270 175.172 174.900 0.003 0.000 0.982 287 G CA -0.100 44.996 45.100 -0.008 0.000 0.641 287 G HN 1.237 nan 8.290 nan 0.000 0.527 288 A N 0.465 123.280 122.820 -0.008 0.000 2.488 288 A HA 0.544 4.864 4.320 -0.000 0.000 0.249 288 A C 1.084 178.664 177.584 -0.007 0.000 1.083 288 A CA 1.009 53.047 52.037 0.001 0.000 0.768 288 A CB 0.117 19.116 19.000 -0.002 0.000 1.017 288 A HN 1.147 nan 8.150 nan 0.000 0.496 289 N N 0.839 119.541 118.700 0.003 0.000 2.171 289 N HA 0.227 4.967 4.740 -0.000 0.000 0.212 289 N C -0.740 174.753 175.510 -0.028 0.000 1.184 289 N CA 0.011 53.060 53.050 -0.002 0.000 0.888 289 N CB 0.646 39.142 38.487 0.014 0.000 1.038 289 N HN 0.231 nan 8.380 nan 0.000 0.517 290 V N 0.657 120.546 119.914 -0.042 0.000 2.668 290 V HA 0.495 4.615 4.120 -0.000 0.000 0.304 290 V C -1.197 174.824 176.094 -0.122 0.000 1.071 290 V CA -0.837 61.397 62.300 -0.109 0.000 0.894 290 V CB 2.350 34.125 31.823 -0.081 0.000 1.008 290 V HN -0.076 nan 8.190 nan 0.000 0.425 291 V N 5.067 124.841 119.914 -0.233 0.000 2.577 291 V HA 0.569 4.689 4.120 -0.000 0.000 0.303 291 V C -1.046 174.871 176.094 -0.295 0.000 1.042 291 V CA -0.577 61.628 62.300 -0.158 0.000 0.872 291 V CB 1.873 33.647 31.823 -0.081 0.000 0.998 291 V HN 0.675 nan 8.190 nan 0.000 0.423 292 F N 3.360 123.311 119.950 0.002 0.000 2.411 292 F HA 0.658 5.185 4.527 -0.000 0.000 0.352 292 F C 0.075 175.875 175.800 0.000 0.000 1.123 292 F CA -0.756 57.244 58.000 -0.000 0.000 1.044 292 F CB 1.960 40.956 39.000 -0.006 0.000 1.135 292 F HN 0.188 nan 8.300 nan 0.000 0.461 293 V N 4.230 124.232 119.914 0.146 0.000 2.417 293 V HA 0.172 4.292 4.120 -0.000 0.000 0.291 293 V C 0.743 176.888 176.094 0.086 0.000 1.024 293 V CA -0.536 61.818 62.300 0.089 0.000 0.861 293 V CB 1.579 33.430 31.823 0.046 0.000 0.985 293 V HN 0.884 nan 8.190 nan 0.000 0.436 294 Q N 3.611 123.449 119.800 0.064 0.000 2.084 294 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 294 Q C 1.149 177.171 176.000 0.036 0.000 0.978 294 Q CA 1.396 57.226 55.803 0.045 0.000 0.844 294 Q CB 0.277 29.032 28.738 0.029 0.000 0.898 294 Q HN 0.594 nan 8.270 nan 0.000 0.426 295 K N -0.419 120.000 120.400 0.030 0.000 2.836 295 K HA 0.329 4.649 4.320 -0.000 0.000 0.300 295 K C 0.273 176.890 176.600 0.027 0.000 1.004 295 K CA 0.126 56.427 56.287 0.024 0.000 1.140 295 K CB -0.547 31.964 32.500 0.018 0.000 1.458 295 K HN 0.202 nan 8.250 nan 0.000 0.550 296 G N 0.149 108.963 108.800 0.023 0.000 2.562 296 G HA2 0.516 4.476 3.960 -0.000 0.000 0.275 296 G HA3 0.516 4.476 3.960 -0.000 0.000 0.275 296 G C -0.481 174.435 174.900 0.026 0.000 1.196 296 G CA -0.515 44.599 45.100 0.025 0.000 0.908 296 G HN 0.318 nan 8.290 nan 0.000 0.524 297 I N 0.510 121.097 120.570 0.028 0.000 2.468 297 I HA 0.162 4.332 4.170 -0.000 0.000 0.285 297 I C -0.376 175.762 176.117 0.036 0.000 1.039 297 I CA -0.698 60.620 61.300 0.031 0.000 1.074 297 I CB 2.001 40.019 38.000 0.029 0.000 1.228 297 I HN 0.418 nan 8.210 nan 0.000 0.436 298 D N 4.489 124.912 120.400 0.039 0.000 2.423 298 D HA -0.054 4.585 4.640 -0.000 0.000 0.238 298 D C 0.497 176.822 176.300 0.043 0.000 1.142 298 D CA 0.269 54.294 54.000 0.041 0.000 0.884 298 D CB 1.324 42.153 40.800 0.048 0.000 1.199 298 D HN 0.501 nan 8.370 nan 0.000 0.438 299 D N 2.104 122.524 120.400 0.035 0.000 2.116 299 D HA -0.185 4.455 4.640 -0.000 0.000 0.193 299 D C 1.733 178.038 176.300 0.008 0.000 0.998 299 D CA 0.705 54.722 54.000 0.029 0.000 0.836 299 D CB -0.094 40.717 40.800 0.017 0.000 0.951 299 D HN 0.300 nan 8.370 nan 0.000 0.449 300 L N 0.620 121.849 121.223 0.010 0.000 2.083 300 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 300 L C 2.061 178.975 176.870 0.074 0.000 1.083 300 L CA 1.649 56.486 54.840 -0.006 0.000 0.752 300 L CB -0.767 41.336 42.059 0.073 0.000 0.899 300 L HN -0.001 nan 8.230 nan 0.000 0.433 301 A N -1.341 121.557 122.820 0.129 0.000 1.933 301 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 301 A C 2.204 179.845 177.584 0.095 0.000 1.175 301 A CA 1.722 53.860 52.037 0.167 0.000 0.628 301 A CB -0.509 18.552 19.000 0.102 0.000 0.814 301 A HN 0.634 nan 8.150 nan 0.000 0.444 302 Q N -1.486 118.329 119.800 0.026 0.000 2.084 302 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 302 Q C 2.152 178.029 176.000 -0.204 0.000 0.978 302 Q CA 1.489 57.265 55.803 -0.044 0.000 0.844 302 Q CB -0.352 28.389 28.738 0.004 0.000 0.898 302 Q HN 0.897 nan 8.270 nan 0.000 0.426 303 H N -0.537 118.328 119.070 -0.341 0.000 2.290 303 H HA -0.181 4.375 4.556 -0.000 0.000 0.298 303 H C 1.620 176.760 175.328 -0.313 0.000 1.087 303 H CA 1.760 57.524 56.048 -0.474 0.000 1.291 303 H CB 0.081 29.550 29.762 -0.490 0.000 1.369 303 H HN 0.293 nan 8.280 nan 0.000 0.492 304 Y N -0.018 120.246 120.300 -0.059 0.000 2.242 304 Y HA -0.166 4.384 4.550 -0.000 0.000 0.291 304 Y C 2.613 178.579 175.900 0.110 0.000 1.137 304 Y CA 0.381 58.492 58.100 0.017 0.000 1.181 304 Y CB -0.406 38.132 38.460 0.131 0.000 0.989 304 Y HN 0.192 nan 8.280 nan 0.000 0.527 305 L N -0.338 120.980 121.223 0.158 0.000 2.046 305 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 305 L C 2.433 179.340 176.870 0.062 0.000 1.077 305 L CA 1.904 56.799 54.840 0.092 0.000 0.747 305 L CB -1.503 40.567 42.059 0.018 0.000 0.896 305 L HN 0.203 nan 8.230 nan 0.000 0.432 306 A N -1.162 121.621 122.820 -0.062 0.000 1.929 306 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 306 A C 2.263 179.808 177.584 -0.065 0.000 1.176 306 A CA 1.204 53.199 52.037 -0.070 0.000 0.628 306 A CB -0.320 18.572 19.000 -0.180 0.000 0.816 306 A HN 0.379 nan 8.150 nan 0.000 0.444 307 K N -1.485 118.832 120.400 -0.138 0.000 2.147 307 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 307 K C 1.231 177.773 176.600 -0.098 0.000 1.049 307 K CA 1.395 57.586 56.287 -0.161 0.000 0.936 307 K CB -0.272 32.084 32.500 -0.241 0.000 0.722 307 K HN 0.645 nan 8.250 nan 0.000 0.446 308 Y N 0.369 120.642 120.300 -0.044 0.000 2.529 308 Y HA 0.041 4.591 4.550 -0.000 0.000 0.290 308 Y C 1.368 177.255 175.900 -0.022 0.000 1.177 308 Y CA 0.541 58.628 58.100 -0.022 0.000 1.305 308 Y CB 0.370 38.825 38.460 -0.009 0.000 1.047 308 Y HN 0.264 nan 8.280 nan 0.000 0.522 309 G N 0.660 109.517 108.800 0.096 0.000 2.179 309 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 309 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 309 G C -0.150 174.782 174.900 0.054 0.000 1.010 309 G CA 0.024 45.158 45.100 0.056 0.000 0.736 309 G HN 0.131 nan 8.290 nan 0.000 0.513 310 I N 0.598 121.205 120.570 0.061 0.000 2.342 310 I HA 0.381 4.550 4.170 -0.000 0.000 0.291 310 I C 0.881 176.990 176.117 -0.014 0.000 1.010 310 I CA -1.268 60.042 61.300 0.016 0.000 1.308 310 I CB 1.287 39.288 38.000 0.000 0.000 1.400 310 I HN 0.291 nan 8.210 nan 0.000 0.488 311 M N 6.192 125.764 119.600 -0.046 0.000 2.162 311 M HA 0.515 4.995 4.480 -0.000 0.000 0.356 311 M C -0.509 175.703 176.300 -0.147 0.000 1.303 311 M CA -0.083 55.170 55.300 -0.078 0.000 1.116 311 M CB 0.652 33.196 32.600 -0.094 0.000 1.632 311 M HN 0.731 nan 8.290 nan 0.000 0.469 312 A N 5.045 127.791 122.820 -0.123 0.000 2.386 312 A HA 0.809 5.129 4.320 -0.000 0.000 0.311 312 A C -1.494 176.002 177.584 -0.148 0.000 1.068 312 A CA -0.653 51.291 52.037 -0.156 0.000 0.743 312 A CB 1.755 20.712 19.000 -0.072 0.000 1.258 312 A HN 0.641 nan 8.150 nan 0.000 0.429 313 V N 2.752 122.549 119.914 -0.195 0.000 2.638 313 V HA 0.605 4.725 4.120 -0.000 0.000 0.306 313 V C 0.067 176.163 176.094 0.003 0.000 1.052 313 V CA -0.690 61.558 62.300 -0.086 0.000 0.885 313 V CB 1.771 33.539 31.823 -0.092 0.000 0.999 313 V HN 1.159 nan 8.190 nan 0.000 0.424 314 R N 2.807 123.327 120.500 0.034 0.000 2.893 314 R HA 0.816 5.156 4.340 -0.000 0.000 0.245 314 R C -0.108 176.227 176.300 0.058 0.000 1.192 314 R CA -0.958 55.170 56.100 0.046 0.000 1.077 314 R CB 0.537 30.857 30.300 0.034 0.000 1.253 314 R HN 0.310 nan 8.270 nan 0.000 0.505 315 R N -0.723 119.806 120.500 0.048 0.000 3.502 315 R HA -0.116 4.224 4.340 -0.000 0.000 0.266 315 R C -0.875 175.453 176.300 0.046 0.000 1.077 315 R CA 0.680 56.804 56.100 0.040 0.000 0.718 315 R CB -2.285 28.034 30.300 0.031 0.000 1.120 315 R HN 0.439 nan 8.270 nan 0.000 0.457 316 V N 0.986 120.940 119.914 0.065 0.000 2.555 316 V HA 0.061 4.181 4.120 -0.000 0.000 0.286 316 V C 1.245 177.353 176.094 0.024 0.000 1.044 316 V CA -0.329 62.009 62.300 0.063 0.000 1.026 316 V CB 1.254 33.147 31.823 0.117 0.000 0.981 316 V HN 0.224 nan 8.190 nan 0.000 0.480 317 K N 3.456 123.857 120.400 0.003 0.000 2.524 317 K HA -0.029 4.291 4.320 -0.000 0.000 0.279 317 K C 1.333 177.921 176.600 -0.020 0.000 0.993 317 K CA 0.146 56.427 56.287 -0.011 0.000 1.030 317 K CB 0.437 32.924 32.500 -0.022 0.000 0.891 317 K HN 0.599 nan 8.250 nan 0.000 0.488 318 K N 1.683 122.074 120.400 -0.015 0.000 2.103 318 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 318 K C 1.678 178.259 176.600 -0.032 0.000 1.048 318 K CA 2.079 58.355 56.287 -0.018 0.000 0.930 318 K CB 0.036 32.529 32.500 -0.011 0.000 0.716 318 K HN 0.681 nan 8.250 nan 0.000 0.444 319 S N 0.108 115.787 115.700 -0.035 0.000 2.428 319 S HA -0.087 4.383 4.470 -0.000 0.000 0.230 319 S C 1.375 175.934 174.600 -0.069 0.000 1.014 319 S CA 1.028 59.201 58.200 -0.045 0.000 0.957 319 S CB -0.039 63.138 63.200 -0.038 0.000 0.784 319 S HN 0.268 nan 8.310 nan 0.000 0.499 320 D N 1.321 121.674 120.400 -0.078 0.000 2.162 320 D HA 0.096 4.736 4.640 -0.000 0.000 0.203 320 D C 1.970 178.178 176.300 -0.152 0.000 0.967 320 D CA 0.817 54.744 54.000 -0.122 0.000 0.840 320 D CB -0.197 40.531 40.800 -0.121 0.000 0.972 320 D HN 0.276 nan 8.370 nan 0.000 0.482 321 M N 0.461 119.996 119.600 -0.109 0.000 2.117 321 M HA -0.099 4.381 4.480 -0.000 0.000 0.262 321 M C 1.952 178.198 176.300 -0.091 0.000 1.065 321 M CA 1.237 56.477 55.300 -0.100 0.000 1.114 321 M CB -0.845 31.730 32.600 -0.042 0.000 1.361 321 M HN 0.082 nan 8.290 nan 0.000 0.408 322 E N 0.058 120.215 120.200 -0.071 0.000 2.106 322 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 322 E C 2.077 178.632 176.600 -0.074 0.000 0.984 322 E CA 0.997 57.362 56.400 -0.059 0.000 0.806 322 E CB 0.052 29.725 29.700 -0.045 0.000 0.750 322 E HN 0.480 nan 8.360 nan 0.000 0.458 323 K N 0.358 120.699 120.400 -0.098 0.000 2.057 323 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 323 K C 2.182 178.705 176.600 -0.128 0.000 1.050 323 K CA 0.742 56.963 56.287 -0.110 0.000 0.935 323 K CB -0.052 32.370 32.500 -0.129 0.000 0.715 323 K HN 0.097 nan 8.250 nan 0.000 0.439 324 L N 0.640 121.757 121.223 -0.176 0.000 2.046 324 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 324 L C 2.587 179.389 176.870 -0.114 0.000 1.077 324 L CA 1.239 55.952 54.840 -0.211 0.000 0.747 324 L CB -0.581 41.259 42.059 -0.364 0.000 0.896 324 L HN 0.204 nan 8.230 nan 0.000 0.432 325 A N 0.063 122.834 122.820 -0.081 0.000 1.851 325 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 325 A C 2.323 179.889 177.584 -0.029 0.000 1.195 325 A CA 1.861 53.875 52.037 -0.038 0.000 0.622 325 A CB -0.461 18.522 19.000 -0.028 0.000 0.831 325 A HN 0.293 nan 8.150 nan 0.000 0.444 326 K N -0.661 119.716 120.400 -0.038 0.000 2.280 326 K HA -0.038 4.282 4.320 -0.000 0.000 0.202 326 K C 2.092 178.677 176.600 -0.025 0.000 1.047 326 K CA 0.942 57.212 56.287 -0.028 0.000 0.942 326 K CB -0.201 32.278 32.500 -0.034 0.000 0.739 326 K HN 0.495 nan 8.250 nan 0.000 0.457 327 A N 0.588 123.384 122.820 -0.039 0.000 1.887 327 A HA -0.077 4.243 4.320 -0.000 0.000 0.212 327 A C 2.153 179.735 177.584 -0.004 0.000 1.198 327 A CA 1.521 53.540 52.037 -0.030 0.000 0.628 327 A CB -0.549 18.416 19.000 -0.058 0.000 0.847 327 A HN 0.378 nan 8.150 nan 0.000 0.449 328 T N -4.495 110.054 114.554 -0.008 0.000 3.067 328 T HA 0.373 4.723 4.350 -0.000 0.000 0.257 328 T C 1.493 176.228 174.700 0.058 0.000 1.105 328 T CA 1.261 63.377 62.100 0.026 0.000 1.104 328 T CB 0.138 69.013 68.868 0.012 0.000 0.925 328 T HN 1.707 nan 8.240 nan 0.000 0.498 329 G N 1.279 110.100 108.800 0.036 0.000 2.176 329 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.253 329 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.253 329 G C 0.367 175.290 174.900 0.038 0.000 0.979 329 G CA -0.004 45.120 45.100 0.040 0.000 0.641 329 G HN 1.202 nan 8.290 nan 0.000 0.530 330 A N -0.069 122.774 122.820 0.038 0.000 2.425 330 A HA 0.633 4.952 4.320 -0.000 0.000 0.242 330 A C 0.479 178.078 177.584 0.026 0.000 1.077 330 A CA 0.589 52.651 52.037 0.041 0.000 0.781 330 A CB 0.356 19.387 19.000 0.052 0.000 1.020 330 A HN 0.435 nan 8.150 nan 0.000 0.494 331 K N 1.311 121.728 120.400 0.029 0.000 2.235 331 K HA 0.465 4.785 4.320 -0.000 0.000 0.266 331 K C -0.965 175.648 176.600 0.022 0.000 0.980 331 K CA -0.121 56.179 56.287 0.020 0.000 0.849 331 K CB 1.583 34.095 32.500 0.020 0.000 1.098 331 K HN 0.617 nan 8.250 nan 0.000 0.445 332 I N 3.040 123.618 120.570 0.014 0.000 2.533 332 I HA 0.023 4.193 4.170 -0.000 0.000 0.284 332 I C -0.120 176.005 176.117 0.014 0.000 1.109 332 I CA -0.355 60.954 61.300 0.015 0.000 1.412 332 I CB 0.532 38.536 38.000 0.006 0.000 1.396 332 I HN 0.170 nan 8.210 nan 0.000 0.543 333 V N 6.246 126.171 119.914 0.017 0.000 2.513 333 V HA 0.171 4.291 4.120 -0.000 0.000 0.299 333 V C 0.805 176.901 176.094 0.003 0.000 1.035 333 V CA -0.245 62.061 62.300 0.010 0.000 0.889 333 V CB 1.724 33.554 31.823 0.013 0.000 0.988 333 V HN 0.880 nan 8.190 nan 0.000 0.440 334 T N 3.120 117.672 114.554 -0.003 0.000 2.668 334 T HA -0.006 4.344 4.350 -0.000 0.000 0.258 334 T C 0.726 175.416 174.700 -0.016 0.000 1.051 334 T CA 1.114 63.210 62.100 -0.007 0.000 1.155 334 T CB -0.098 68.766 68.868 -0.007 0.000 0.864 334 T HN 0.657 nan 8.240 nan 0.000 0.413 335 N N 1.011 119.694 118.700 -0.028 0.000 2.438 335 N HA 0.281 5.021 4.740 -0.000 0.000 0.282 335 N C 0.909 176.371 175.510 -0.081 0.000 1.037 335 N CA -0.507 52.514 53.050 -0.049 0.000 0.942 335 N CB 2.184 40.639 38.487 -0.054 0.000 1.136 335 N HN -0.114 nan 8.380 nan 0.000 0.481 336 V N 3.569 123.425 119.914 -0.098 0.000 2.324 336 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 336 V C 2.255 178.141 176.094 -0.346 0.000 1.060 336 V CA 1.779 63.991 62.300 -0.146 0.000 1.042 336 V CB -0.641 31.109 31.823 -0.122 0.000 0.650 336 V HN 0.794 nan 8.190 nan 0.000 0.450 337 K N -0.041 120.128 120.400 -0.384 0.000 2.360 337 K HA -0.170 4.150 4.320 -0.000 0.000 0.201 337 K C 1.043 177.435 176.600 -0.348 0.000 1.046 337 K CA 1.714 57.654 56.287 -0.578 0.000 0.945 337 K CB -0.288 32.045 32.500 -0.278 0.000 0.750 337 K HN 0.411 nan 8.250 nan 0.000 0.464 338 D N 0.915 121.213 120.400 -0.170 0.000 2.339 338 D HA 0.027 4.667 4.640 -0.000 0.000 0.217 338 D C 0.035 176.349 176.300 0.024 0.000 1.050 338 D CA -0.034 53.940 54.000 -0.043 0.000 0.856 338 D CB 0.123 40.905 40.800 -0.029 0.000 0.922 338 D HN 0.125 nan 8.370 nan 0.000 0.518 339 L N 1.959 123.209 121.223 0.045 0.000 2.410 339 L HA 0.161 4.501 4.340 -0.000 0.000 0.273 339 L C 0.392 177.385 176.870 0.205 0.000 1.152 339 L CA 0.486 55.406 54.840 0.133 0.000 0.855 339 L CB 0.700 42.842 42.059 0.139 0.000 1.129 339 L HN -0.073 nan 8.230 nan 0.000 0.463 340 T N 1.517 116.131 114.554 0.100 0.000 2.916 340 T HA 0.555 4.904 4.350 -0.000 0.000 0.292 340 T C -2.205 172.515 174.700 0.034 0.000 1.064 340 T CA -1.718 60.417 62.100 0.059 0.000 1.011 340 T CB 1.571 70.465 68.868 0.043 0.000 1.152 340 T HN 0.328 nan 8.240 nan 0.000 0.510 341 P HA -0.023 nan 4.420 nan 0.000 0.218 341 P C 0.898 178.213 177.300 0.024 0.000 1.148 341 P CA 0.937 64.045 63.100 0.014 0.000 0.822 341 P CB -0.000 31.701 31.700 0.002 0.000 0.784 342 E N -0.880 119.333 120.200 0.022 0.000 2.409 342 E HA -0.127 4.223 4.350 -0.000 0.000 0.198 342 E C 1.277 177.895 176.600 0.029 0.000 1.024 342 E CA 0.822 57.236 56.400 0.023 0.000 0.861 342 E CB -0.709 29.002 29.700 0.018 0.000 0.788 342 E HN 0.312 nan 8.360 nan 0.000 0.521 343 D N -0.322 120.099 120.400 0.034 0.000 2.333 343 D HA 0.036 4.676 4.640 -0.000 0.000 0.208 343 D C 0.405 176.734 176.300 0.047 0.000 0.984 343 D CA 0.143 54.166 54.000 0.039 0.000 0.873 343 D CB 0.269 41.094 40.800 0.042 0.000 0.935 343 D HN 0.185 nan 8.370 nan 0.000 0.521 344 L N 0.659 121.913 121.223 0.051 0.000 2.452 344 L HA 0.330 4.669 4.340 -0.000 0.000 0.267 344 L C 1.248 178.164 176.870 0.077 0.000 1.188 344 L CA -0.256 54.622 54.840 0.064 0.000 0.821 344 L CB 0.698 42.794 42.059 0.062 0.000 1.102 344 L HN -0.102 nan 8.230 nan 0.000 0.470 345 G N 0.393 109.247 108.800 0.090 0.000 2.552 345 G HA2 0.455 4.415 3.960 -0.000 0.000 0.324 345 G HA3 0.455 4.415 3.960 -0.000 0.000 0.324 345 G C -2.014 172.975 174.900 0.148 0.000 1.217 345 G CA -0.292 44.871 45.100 0.104 0.000 0.989 345 G HN 0.470 nan 8.290 nan 0.000 0.490 346 Y N -0.168 120.153 120.300 0.035 0.000 2.485 346 Y HA 0.681 5.231 4.550 -0.000 0.000 0.345 346 Y C -0.303 175.622 175.900 0.041 0.000 0.998 346 Y CA -0.904 57.219 58.100 0.037 0.000 1.059 346 Y CB 2.178 40.654 38.460 0.027 0.000 1.234 346 Y HN 0.824 nan 8.280 nan 0.000 0.461 347 A N 4.676 126.868 122.820 -1.047 0.000 2.465 347 A HA 0.321 4.641 4.320 -0.000 0.000 0.292 347 A C 0.180 177.187 177.584 -0.961 0.000 1.041 347 A CA -0.289 51.313 52.037 -0.725 0.000 0.718 347 A CB 1.224 20.067 19.000 -0.261 0.000 1.266 347 A HN 0.968 nan 8.150 nan 0.000 0.403 348 E N 1.316 121.167 120.200 -0.582 0.000 2.153 348 E HA 0.030 4.379 4.350 -0.000 0.000 0.194 348 E C -0.132 176.397 176.600 -0.119 0.000 0.988 348 E CA 1.771 58.046 56.400 -0.208 0.000 0.811 348 E CB 0.089 29.813 29.700 0.039 0.000 0.746 348 E HN 0.520 nan 8.360 nan 0.000 0.466 349 V N 0.638 120.488 119.914 -0.107 0.000 2.817 349 V HA 0.294 4.414 4.120 -0.000 0.000 0.303 349 V C -1.086 175.005 176.094 -0.005 0.000 1.151 349 V CA -0.989 61.288 62.300 -0.039 0.000 0.929 349 V CB 2.135 33.954 31.823 -0.007 0.000 1.030 349 V HN -0.108 nan 8.190 nan 0.000 0.427 350 V N 3.597 123.522 119.914 0.017 0.000 2.531 350 V HA 0.752 4.872 4.120 -0.000 0.000 0.301 350 V C -0.472 175.669 176.094 0.078 0.000 1.034 350 V CA -0.331 62.014 62.300 0.075 0.000 0.865 350 V CB 1.810 33.677 31.823 0.074 0.000 0.995 350 V HN 1.010 nan 8.190 nan 0.000 0.424 351 E N 2.822 123.101 120.200 0.132 0.000 2.363 351 E HA 0.347 4.697 4.350 -0.000 0.000 0.281 351 E C -1.334 175.368 176.600 0.172 0.000 0.953 351 E CA -0.659 55.805 56.400 0.107 0.000 0.778 351 E CB 2.273 32.002 29.700 0.049 0.000 1.220 351 E HN 0.749 nan 8.360 nan 0.000 0.431 352 E N 3.497 123.767 120.200 0.116 0.000 2.194 352 E HA 0.258 4.608 4.350 -0.000 0.000 0.284 352 E C -0.875 175.796 176.600 0.118 0.000 1.035 352 E CA -0.157 56.322 56.400 0.131 0.000 0.836 352 E CB 0.753 30.497 29.700 0.074 0.000 1.070 352 E HN 0.303 nan 8.360 nan 0.000 0.401 353 R N 3.633 124.248 120.500 0.192 0.000 2.686 353 R HA 0.329 4.669 4.340 -0.000 0.000 0.283 353 R C -0.743 175.645 176.300 0.147 0.000 0.978 353 R CA -0.906 55.260 56.100 0.110 0.000 0.897 353 R CB 1.910 32.185 30.300 -0.041 0.000 1.192 353 R HN 0.307 nan 8.270 nan 0.000 0.457 354 K N 3.014 123.459 120.400 0.075 0.000 2.262 354 K HA 0.352 4.672 4.320 -0.000 0.000 0.282 354 K C -0.741 175.903 176.600 0.073 0.000 1.066 354 K CA -0.179 56.149 56.287 0.070 0.000 0.901 354 K CB 0.686 33.208 32.500 0.037 0.000 1.089 354 K HN 0.320 nan 8.250 nan 0.000 0.476 355 L N 2.572 123.853 121.223 0.097 0.000 2.313 355 L HA 0.364 4.704 4.340 -0.000 0.000 0.283 355 L C 0.576 177.480 176.870 0.056 0.000 1.013 355 L CA -0.591 54.303 54.840 0.089 0.000 0.816 355 L CB 1.662 43.803 42.059 0.137 0.000 1.236 355 L HN 0.906 nan 8.230 nan 0.000 0.419 356 A N 2.801 125.645 122.820 0.040 0.000 2.832 356 A HA -0.123 4.197 4.320 -0.000 0.000 0.280 356 A C 1.400 178.998 177.584 0.025 0.000 1.464 356 A CA 1.225 53.278 52.037 0.028 0.000 0.804 356 A CB -1.907 17.109 19.000 0.026 0.000 1.020 356 A HN 1.675 nan 8.150 nan 0.000 0.563 357 G N -2.173 106.643 108.800 0.026 0.000 2.304 357 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.252 357 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.252 357 G C -0.052 174.864 174.900 0.026 0.000 1.014 357 G CA 1.087 46.200 45.100 0.022 0.000 0.619 357 G HN 1.332 nan 8.290 nan 0.000 0.525 358 E N 1.685 121.905 120.200 0.032 0.000 2.259 358 E HA 0.449 4.799 4.350 -0.000 0.000 0.281 358 E C 0.135 176.766 176.600 0.052 0.000 1.027 358 E CA -0.648 55.772 56.400 0.034 0.000 0.838 358 E CB 0.592 30.308 29.700 0.028 0.000 1.066 358 E HN 0.325 nan 8.360 nan 0.000 0.401 359 N N 3.272 122.001 118.700 0.048 0.000 2.513 359 N HA 0.200 4.940 4.740 -0.000 0.000 0.268 359 N C -0.443 175.112 175.510 0.074 0.000 1.180 359 N CA 0.528 53.618 53.050 0.067 0.000 0.948 359 N CB 0.635 39.152 38.487 0.050 0.000 1.083 359 N HN 0.398 nan 8.380 nan 0.000 0.455 360 M N 1.398 121.069 119.600 0.118 0.000 2.618 360 M HA 0.477 4.956 4.480 -0.000 0.000 0.281 360 M C -1.005 175.376 176.300 0.135 0.000 1.267 360 M CA -0.803 54.543 55.300 0.077 0.000 0.845 360 M CB 2.305 34.911 32.600 0.009 0.000 1.732 360 M HN 0.114 nan 8.290 nan 0.000 0.461 361 I N 1.789 122.383 120.570 0.041 0.000 2.378 361 I HA 0.416 4.586 4.170 -0.000 0.000 0.291 361 I C -1.242 174.878 176.117 0.005 0.000 0.992 361 I CA -0.329 61.048 61.300 0.129 0.000 1.154 361 I CB 1.092 39.198 38.000 0.177 0.000 1.315 361 I HN 0.498 nan 8.210 nan 0.000 0.448 362 F N 5.492 125.476 119.950 0.056 0.000 2.427 362 F HA 0.424 4.951 4.527 -0.000 0.000 0.346 362 F C 0.325 176.148 175.800 0.038 0.000 1.120 362 F CA -0.778 57.241 58.000 0.032 0.000 1.033 362 F CB 1.667 40.677 39.000 0.016 0.000 1.126 362 F HN -0.006 nan 8.300 nan 0.000 0.462 363 V N 4.058 124.055 119.914 0.138 0.000 2.284 363 V HA 0.338 4.457 4.120 -0.000 0.000 0.274 363 V C -0.444 175.683 176.094 0.055 0.000 1.023 363 V CA -0.686 61.662 62.300 0.081 0.000 0.808 363 V CB 0.646 32.478 31.823 0.016 0.000 1.035 363 V HN 0.789 nan 8.190 nan 0.000 0.445 364 E N 2.597 122.834 120.200 0.061 0.000 2.320 364 E HA 0.751 5.101 4.350 -0.000 0.000 0.264 364 E C 0.605 177.209 176.600 0.007 0.000 0.923 364 E CA -0.673 55.757 56.400 0.048 0.000 0.796 364 E CB 2.122 31.873 29.700 0.085 0.000 1.262 364 E HN 0.710 nan 8.360 nan 0.000 0.428 365 G N 0.439 109.255 108.800 0.025 0.000 2.160 365 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 365 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 365 G C 0.108 175.049 174.900 0.069 0.000 1.022 365 G CA -0.044 45.082 45.100 0.043 0.000 0.741 365 G HN 0.600 nan 8.290 nan 0.000 0.508 366 C N 0.621 119.950 119.300 0.049 0.000 2.652 366 C HA 0.400 4.860 4.460 -0.000 0.000 0.412 366 C C 2.162 177.233 174.990 0.136 0.000 1.294 366 C CA 0.027 59.098 59.018 0.089 0.000 2.127 366 C CB 1.485 29.249 27.740 0.040 0.000 2.691 366 C HN 0.576 nan 8.230 nan 0.000 0.615 367 K N 2.060 122.575 120.400 0.193 0.000 1.965 367 K HA -0.140 4.180 4.320 -0.000 0.000 0.218 367 K C 0.775 177.417 176.600 0.070 0.000 1.048 367 K CA 1.825 58.186 56.287 0.123 0.000 0.960 367 K CB -0.293 32.264 32.500 0.094 0.000 0.732 367 K HN 0.836 nan 8.250 nan 0.000 0.444 368 N N 0.930 119.664 118.700 0.056 0.000 2.723 368 N HA 0.194 4.934 4.740 -0.000 0.000 0.290 368 N C -2.664 172.864 175.510 0.029 0.000 1.882 368 N CA -1.311 51.761 53.050 0.037 0.000 0.851 368 N CB 0.969 39.474 38.487 0.029 0.000 1.234 368 N HN 0.041 nan 8.380 nan 0.000 0.491 369 P HA -0.063 nan 4.420 nan 0.000 0.259 369 P C -0.214 177.085 177.300 -0.001 0.000 1.163 369 P CA 0.149 63.254 63.100 0.009 0.000 0.760 369 P CB 0.832 32.532 31.700 0.000 0.000 0.762 370 K N 1.078 121.474 120.400 -0.007 0.000 2.387 370 K HA 0.406 4.726 4.320 -0.000 0.000 0.198 370 K C 0.609 177.192 176.600 -0.028 0.000 1.022 370 K CA -0.168 56.113 56.287 -0.010 0.000 1.128 370 K CB 0.324 32.821 32.500 -0.005 0.000 0.853 370 K HN 0.565 nan 8.250 nan 0.000 0.523 371 A N 0.106 122.901 122.820 -0.041 0.000 2.488 371 A HA 0.652 4.972 4.320 -0.000 0.000 0.298 371 A C -1.221 176.320 177.584 -0.073 0.000 1.044 371 A CA -0.633 51.365 52.037 -0.066 0.000 0.693 371 A CB 1.710 20.665 19.000 -0.076 0.000 1.272 371 A HN -0.067 nan 8.150 nan 0.000 0.402 372 V N 0.922 120.779 119.914 -0.095 0.000 3.167 372 V HA 0.925 5.045 4.120 -0.000 0.000 0.310 372 V C -0.748 175.266 176.094 -0.132 0.000 1.207 372 V CA -0.244 62.001 62.300 -0.091 0.000 1.059 372 V CB 2.626 34.408 31.823 -0.069 0.000 1.079 372 V HN 1.082 nan 8.190 nan 0.000 0.446 373 T N 3.422 117.910 114.554 -0.109 0.000 2.886 373 T HA 0.597 4.947 4.350 -0.000 0.000 0.292 373 T C -0.857 173.797 174.700 -0.077 0.000 1.012 373 T CA -0.069 61.954 62.100 -0.129 0.000 0.982 373 T CB 1.259 70.056 68.868 -0.118 0.000 1.018 373 T HN 0.508 nan 8.240 nan 0.000 0.451 374 I N 3.182 123.705 120.570 -0.078 0.000 2.330 374 I HA 0.335 4.505 4.170 -0.000 0.000 0.286 374 I C -0.206 175.963 176.117 0.087 0.000 1.025 374 I CA -0.631 60.690 61.300 0.035 0.000 1.197 374 I CB 1.078 39.151 38.000 0.122 0.000 1.358 374 I HN 0.339 nan 8.210 nan 0.000 0.467 375 L N 7.586 128.854 121.223 0.074 0.000 2.315 375 L HA 0.363 4.703 4.340 -0.000 0.000 0.283 375 L C -0.575 176.343 176.870 0.081 0.000 1.089 375 L CA -0.420 54.468 54.840 0.080 0.000 0.833 375 L CB 0.627 42.756 42.059 0.116 0.000 1.170 375 L HN 0.475 nan 8.230 nan 0.000 0.442 376 I N 5.611 126.226 120.570 0.075 0.000 2.385 376 I HA 0.416 4.586 4.170 -0.000 0.000 0.294 376 I C 0.242 176.373 176.117 0.024 0.000 0.988 376 I CA -0.217 61.109 61.300 0.044 0.000 1.265 376 I CB 1.131 39.151 38.000 0.033 0.000 1.388 376 I HN 0.471 nan 8.210 nan 0.000 0.480 377 R N 3.238 123.738 120.500 0.001 0.000 2.919 377 R HA 0.946 5.286 4.340 -0.000 0.000 0.260 377 R C -0.380 175.904 176.300 -0.026 0.000 1.067 377 R CA -1.221 54.876 56.100 -0.005 0.000 1.003 377 R CB 1.894 32.191 30.300 -0.005 0.000 1.192 377 R HN 0.845 nan 8.270 nan 0.000 0.488 378 G N -1.584 107.205 108.800 -0.018 0.000 2.377 378 G HA2 0.293 4.253 3.960 -0.000 0.000 0.297 378 G HA3 0.293 4.253 3.960 -0.000 0.000 0.297 378 G C 0.090 174.990 174.900 -0.001 0.000 1.547 378 G CA -0.262 44.827 45.100 -0.018 0.000 0.833 378 G HN 0.528 nan 8.290 nan 0.000 0.583 379 G N -1.072 107.732 108.800 0.007 0.000 2.776 379 G HA2 0.402 4.362 3.960 -0.000 0.000 0.209 379 G HA3 0.402 4.362 3.960 -0.000 0.000 0.209 379 G C 0.571 175.485 174.900 0.024 0.000 1.145 379 G CA 1.557 46.667 45.100 0.016 0.000 0.791 379 G HN 0.976 nan 8.290 nan 0.000 0.530 380 T N -1.608 112.962 114.554 0.027 0.000 2.886 380 T HA 0.307 4.657 4.350 -0.000 0.000 0.330 380 T C 0.342 175.058 174.700 0.026 0.000 1.488 380 T CA -0.558 61.566 62.100 0.040 0.000 1.054 380 T CB 1.785 70.695 68.868 0.070 0.000 1.348 380 T HN -0.008 nan 8.240 nan 0.000 0.489 381 E N 0.466 120.671 120.200 0.007 0.000 2.058 381 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 381 E C 1.479 178.016 176.600 -0.105 0.000 0.997 381 E CA 1.771 58.132 56.400 -0.065 0.000 0.801 381 E CB -0.123 29.504 29.700 -0.122 0.000 0.746 381 E HN 0.626 nan 8.360 nan 0.000 0.450 382 H N -0.974 118.093 119.070 -0.005 0.000 2.387 382 H HA -0.076 4.480 4.556 -0.000 0.000 0.299 382 H C 1.949 177.271 175.328 -0.010 0.000 1.099 382 H CA 1.373 57.417 56.048 -0.007 0.000 1.315 382 H CB -0.023 29.737 29.762 -0.004 0.000 1.380 382 H HN -0.013 nan 8.280 nan 0.000 0.513 383 V N 0.653 120.625 119.914 0.097 0.000 2.307 383 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 383 V C 2.235 178.336 176.094 0.012 0.000 1.045 383 V CA 1.384 63.715 62.300 0.051 0.000 1.024 383 V CB -0.345 31.504 31.823 0.042 0.000 0.651 383 V HN 0.416 nan 8.190 nan 0.000 0.449 384 I N 0.365 120.932 120.570 -0.006 0.000 2.208 384 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 384 I C 2.301 178.390 176.117 -0.046 0.000 1.097 384 I CA 1.831 63.115 61.300 -0.027 0.000 1.363 384 I CB -1.348 36.635 38.000 -0.029 0.000 1.051 384 I HN 0.367 nan 8.210 nan 0.000 0.413 385 D N 0.474 120.842 120.400 -0.052 0.000 2.117 385 D HA -0.202 4.438 4.640 -0.000 0.000 0.197 385 D C 2.129 178.394 176.300 -0.060 0.000 0.987 385 D CA 1.155 55.116 54.000 -0.065 0.000 0.829 385 D CB -0.091 40.664 40.800 -0.076 0.000 0.961 385 D HN 0.314 nan 8.370 nan 0.000 0.460 386 E N 0.610 120.793 120.200 -0.028 0.000 2.152 386 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 386 E C 2.002 178.572 176.600 -0.050 0.000 0.983 386 E CA 0.349 56.733 56.400 -0.025 0.000 0.818 386 E CB -0.115 29.590 29.700 0.008 0.000 0.758 386 E HN -0.004 nan 8.360 nan 0.000 0.467 387 V N 0.867 120.751 119.914 -0.050 0.000 2.427 387 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 387 V C 2.391 178.399 176.094 -0.143 0.000 1.051 387 V CA 2.077 64.338 62.300 -0.064 0.000 1.048 387 V CB -0.484 31.312 31.823 -0.044 0.000 0.666 387 V HN 0.394 nan 8.190 nan 0.000 0.456 388 E N 0.214 120.306 120.200 -0.180 0.000 2.058 388 E HA -0.264 4.085 4.350 -0.000 0.000 0.194 388 E C 2.477 178.838 176.600 -0.398 0.000 0.997 388 E CA 1.470 57.660 56.400 -0.351 0.000 0.801 388 E CB -0.076 29.468 29.700 -0.260 0.000 0.746 388 E HN 0.489 nan 8.360 nan 0.000 0.450 389 R N -0.148 120.219 120.500 -0.222 0.000 2.091 389 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 389 R C 2.432 178.642 176.300 -0.151 0.000 1.136 389 R CA 1.144 57.144 56.100 -0.168 0.000 0.959 389 R CB -0.334 29.910 30.300 -0.092 0.000 0.856 389 R HN 0.202 nan 8.270 nan 0.000 0.437 390 A N 1.019 123.765 122.820 -0.123 0.000 1.908 390 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 390 A C 2.124 179.650 177.584 -0.096 0.000 1.181 390 A CA 1.224 53.213 52.037 -0.080 0.000 0.627 390 A CB -0.488 18.485 19.000 -0.046 0.000 0.818 390 A HN 0.212 nan 8.150 nan 0.000 0.445 391 L N -0.803 120.309 121.223 -0.185 0.000 2.217 391 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 391 L C 2.463 179.256 176.870 -0.128 0.000 1.107 391 L CA 1.147 55.888 54.840 -0.164 0.000 0.783 391 L CB -0.473 41.423 42.059 -0.270 0.000 0.919 391 L HN 0.495 nan 8.230 nan 0.000 0.442 392 E N -0.041 120.000 120.200 -0.266 0.000 2.106 392 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 392 E C 1.496 178.107 176.600 0.018 0.000 0.984 392 E CA 1.062 57.423 56.400 -0.065 0.000 0.806 392 E CB 0.011 29.648 29.700 -0.106 0.000 0.750 392 E HN 0.467 nan 8.360 nan 0.000 0.458 393 D N 0.815 121.203 120.400 -0.020 0.000 2.091 393 D HA -0.089 4.551 4.640 -0.000 0.000 0.199 393 D C 2.018 178.330 176.300 0.021 0.000 0.980 393 D CA 1.310 55.311 54.000 0.002 0.000 0.831 393 D CB -0.364 40.429 40.800 -0.011 0.000 0.987 393 D HN 0.124 nan 8.370 nan 0.000 0.460 394 A N 0.838 123.671 122.820 0.021 0.000 1.892 394 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 394 A C 2.524 180.139 177.584 0.052 0.000 1.188 394 A CA 1.440 53.498 52.037 0.035 0.000 0.631 394 A CB -0.941 18.081 19.000 0.038 0.000 0.822 394 A HN 0.168 nan 8.150 nan 0.000 0.447 395 V N -0.230 119.739 119.914 0.090 0.000 2.515 395 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 395 V C 2.539 178.670 176.094 0.063 0.000 1.058 395 V CA 2.455 64.815 62.300 0.100 0.000 1.064 395 V CB -0.453 31.490 31.823 0.199 0.000 0.675 395 V HN 0.704 nan 8.190 nan 0.000 0.461 396 K N -0.017 120.419 120.400 0.060 0.000 2.031 396 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 396 K C 2.022 178.637 176.600 0.025 0.000 1.049 396 K CA 1.775 58.087 56.287 0.041 0.000 0.939 396 K CB -0.078 32.445 32.500 0.038 0.000 0.717 396 K HN 0.474 nan 8.250 nan 0.000 0.438 397 V N -1.439 118.488 119.914 0.022 0.000 2.515 397 V HA -0.139 3.980 4.120 -0.000 0.000 0.250 397 V C 2.084 178.183 176.094 0.008 0.000 1.058 397 V CA 1.357 63.665 62.300 0.014 0.000 1.064 397 V CB -0.591 31.239 31.823 0.013 0.000 0.675 397 V HN 0.045 nan 8.190 nan 0.000 0.461 398 V N 0.749 120.667 119.914 0.007 0.000 2.343 398 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 398 V C 2.700 178.781 176.094 -0.020 0.000 1.051 398 V CA 2.602 64.897 62.300 -0.009 0.000 1.036 398 V CB -0.799 31.019 31.823 -0.008 0.000 0.654 398 V HN 0.700 nan 8.190 nan 0.000 0.451 399 K N 0.069 120.464 120.400 -0.008 0.000 2.026 399 K HA -0.246 4.074 4.320 -0.000 0.000 0.208 399 K C 1.875 178.474 176.600 -0.000 0.000 1.048 399 K CA 2.075 58.357 56.287 -0.008 0.000 0.929 399 K CB -0.342 32.163 32.500 0.008 0.000 0.713 399 K HN 0.436 nan 8.250 nan 0.000 0.439 400 D N 0.535 120.940 120.400 0.007 0.000 2.106 400 D HA -0.174 4.466 4.640 -0.000 0.000 0.191 400 D C 1.994 178.300 176.300 0.010 0.000 0.997 400 D CA 1.548 55.555 54.000 0.012 0.000 0.834 400 D CB -0.306 40.502 40.800 0.012 0.000 0.956 400 D HN 0.113 nan 8.370 nan 0.000 0.448 401 V N 0.877 120.792 119.914 0.001 0.000 2.626 401 V HA -0.182 3.937 4.120 -0.000 0.000 0.252 401 V C 2.434 178.524 176.094 -0.008 0.000 1.067 401 V CA 1.096 63.395 62.300 -0.002 0.000 1.081 401 V CB -0.325 31.493 31.823 -0.008 0.000 0.686 401 V HN 0.219 nan 8.190 nan 0.000 0.468 402 M N -0.878 118.704 119.600 -0.030 0.000 2.288 402 M HA -0.067 4.412 4.480 -0.000 0.000 0.266 402 M C 2.079 178.410 176.300 0.051 0.000 1.072 402 M CA 1.407 56.671 55.300 -0.060 0.000 1.132 402 M CB -0.188 32.301 32.600 -0.185 0.000 1.386 402 M HN 0.379 nan 8.290 nan 0.000 0.432 403 E N -0.045 120.186 120.200 0.052 0.000 2.299 403 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 403 E C -0.240 176.398 176.600 0.063 0.000 0.998 403 E CA 0.442 56.890 56.400 0.079 0.000 0.851 403 E CB 0.371 30.105 29.700 0.056 0.000 0.795 403 E HN 0.428 nan 8.360 nan 0.000 0.492 404 D N -0.876 119.551 120.400 0.046 0.000 2.414 404 D HA 0.321 4.961 4.640 -0.000 0.000 0.241 404 D C 0.028 176.351 176.300 0.039 0.000 1.008 404 D CA -0.555 53.467 54.000 0.037 0.000 1.001 404 D CB 1.686 42.501 40.800 0.025 0.000 1.277 404 D HN 0.029 nan 8.370 nan 0.000 0.538 405 G N -0.856 107.965 108.800 0.035 0.000 4.959 405 G HA2 0.565 4.525 3.960 -0.000 0.000 0.297 405 G HA3 0.565 4.525 3.960 -0.000 0.000 0.297 405 G C -0.616 174.298 174.900 0.023 0.000 1.351 405 G CA -0.333 44.788 45.100 0.034 0.000 1.016 405 G HN 0.501 nan 8.290 nan 0.000 0.592 406 A N 0.122 122.953 122.820 0.019 0.000 2.459 406 A HA 0.835 5.155 4.320 -0.000 0.000 0.296 406 A C -0.596 176.995 177.584 0.013 0.000 1.039 406 A CA -0.472 51.574 52.037 0.015 0.000 0.698 406 A CB 1.785 20.794 19.000 0.014 0.000 1.261 406 A HN 1.364 nan 8.150 nan 0.000 0.405 407 V N 0.043 119.964 119.914 0.013 0.000 3.141 407 V HA 0.942 5.062 4.120 -0.000 0.000 0.312 407 V C -0.832 175.270 176.094 0.014 0.000 1.157 407 V CA -0.944 61.363 62.300 0.012 0.000 1.041 407 V CB 1.706 33.535 31.823 0.011 0.000 1.071 407 V HN 0.879 nan 8.190 nan 0.000 0.441 408 L N 1.351 122.583 121.223 0.015 0.000 2.376 408 L HA 0.672 5.012 4.340 -0.000 0.000 0.258 408 L C -2.598 174.285 176.870 0.021 0.000 1.013 408 L CA -1.958 52.893 54.840 0.019 0.000 0.822 408 L CB 3.252 45.322 42.059 0.018 0.000 1.388 408 L HN 0.533 nan 8.230 nan 0.000 0.413 409 P HA 0.230 nan 4.420 nan 0.000 0.274 409 P C -0.944 176.373 177.300 0.027 0.000 1.246 409 P CA -0.169 62.949 63.100 0.030 0.000 0.795 409 P CB 1.602 33.327 31.700 0.041 0.000 1.006 410 A N 0.865 123.700 122.820 0.025 0.000 3.847 410 A HA 0.662 4.982 4.320 -0.000 0.000 0.152 410 A C 1.314 178.906 177.584 0.014 0.000 1.527 410 A CA 0.058 52.105 52.037 0.015 0.000 1.022 410 A CB -0.917 18.091 19.000 0.013 0.000 1.715 410 A HN 0.660 nan 8.150 nan 0.000 0.650 411 G N -2.222 106.579 108.800 0.001 0.000 2.200 411 G HA2 0.144 4.104 3.960 -0.000 0.000 0.267 411 G HA3 0.144 4.104 3.960 -0.000 0.000 0.267 411 G C 1.713 176.605 174.900 -0.012 0.000 0.993 411 G CA 1.529 46.625 45.100 -0.007 0.000 0.701 411 G HN 2.600 nan 8.290 nan 0.000 0.524 412 G N -1.535 107.255 108.800 -0.016 0.000 2.175 412 G HA2 0.101 4.061 3.960 -0.000 0.000 0.244 412 G HA3 0.101 4.061 3.960 -0.000 0.000 0.244 412 G C 1.643 176.521 174.900 -0.036 0.000 0.982 412 G CA 1.247 46.328 45.100 -0.031 0.000 0.641 412 G HN 1.996 nan 8.290 nan 0.000 0.527 413 A N 1.120 123.942 122.820 0.004 0.000 1.892 413 A HA 0.143 4.463 4.320 -0.000 0.000 0.218 413 A C 0.623 178.210 177.584 0.004 0.000 1.188 413 A CA 2.648 54.709 52.037 0.041 0.000 0.631 413 A CB -1.102 17.980 19.000 0.137 0.000 0.822 413 A HN 0.472 nan 8.150 nan 0.000 0.447 414 P HA -0.158 nan 4.420 nan 0.000 0.216 414 P C 1.202 178.485 177.300 -0.029 0.000 1.153 414 P CA 1.422 64.528 63.100 0.010 0.000 0.848 414 P CB -0.123 31.584 31.700 0.012 0.000 0.787 415 E N -0.355 119.818 120.200 -0.046 0.000 2.150 415 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 415 E C 1.936 178.479 176.600 -0.095 0.000 0.985 415 E CA 1.061 57.426 56.400 -0.057 0.000 0.814 415 E CB -1.121 28.542 29.700 -0.062 0.000 0.752 415 E HN 0.227 nan 8.360 nan 0.000 0.466 416 I N 1.648 122.118 120.570 -0.166 0.000 2.202 416 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 416 I C 2.425 178.357 176.117 -0.308 0.000 1.091 416 I CA 1.036 62.165 61.300 -0.285 0.000 1.368 416 I CB -0.918 36.792 38.000 -0.484 0.000 1.058 416 I HN 0.062 nan 8.210 nan 0.000 0.410 417 E N 1.089 121.120 120.200 -0.281 0.000 2.038 417 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 417 E C 2.411 179.002 176.600 -0.015 0.000 1.000 417 E CA 1.162 57.529 56.400 -0.054 0.000 0.803 417 E CB -0.393 29.360 29.700 0.088 0.000 0.750 417 E HN 0.435 nan 8.360 nan 0.000 0.448 418 L N 0.025 121.240 121.223 -0.014 0.000 2.079 418 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 418 L C 2.488 179.378 176.870 0.033 0.000 1.081 418 L CA 1.174 56.026 54.840 0.019 0.000 0.752 418 L CB -0.488 41.593 42.059 0.036 0.000 0.896 418 L HN 0.074 nan 8.230 nan 0.000 0.433 419 A N -0.014 122.806 122.820 0.000 0.000 1.930 419 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 419 A C 2.156 179.752 177.584 0.021 0.000 1.175 419 A CA 1.159 53.204 52.037 0.013 0.000 0.627 419 A CB -0.339 18.645 19.000 -0.027 0.000 0.815 419 A HN 0.241 nan 8.150 nan 0.000 0.443 420 I N -0.453 120.116 120.570 -0.000 0.000 2.233 420 I HA -0.117 4.053 4.170 -0.000 0.000 0.243 420 I C 2.510 178.656 176.117 0.048 0.000 1.093 420 I CA 1.189 62.504 61.300 0.024 0.000 1.380 420 I CB -1.133 36.884 38.000 0.029 0.000 1.067 420 I HN 0.285 nan 8.210 nan 0.000 0.413 421 R N 0.437 120.966 120.500 0.047 0.000 2.090 421 R HA -0.023 4.317 4.340 -0.000 0.000 0.228 421 R C 2.277 178.625 176.300 0.080 0.000 1.110 421 R CA 0.885 57.017 56.100 0.053 0.000 0.973 421 R CB -0.456 29.862 30.300 0.030 0.000 0.869 421 R HN 0.367 nan 8.270 nan 0.000 0.440 422 L N 0.058 121.334 121.223 0.089 0.000 2.156 422 L HA -0.121 4.218 4.340 -0.000 0.000 0.208 422 L C 1.968 178.936 176.870 0.164 0.000 1.095 422 L CA 1.055 55.984 54.840 0.148 0.000 0.770 422 L CB -0.355 41.788 42.059 0.140 0.000 0.914 422 L HN 0.084 nan 8.230 nan 0.000 0.439 423 D N 0.164 120.631 120.400 0.112 0.000 2.117 423 D HA -0.269 4.371 4.640 -0.000 0.000 0.197 423 D C 2.134 178.481 176.300 0.080 0.000 0.987 423 D CA 1.226 55.279 54.000 0.087 0.000 0.829 423 D CB 0.206 41.044 40.800 0.063 0.000 0.961 423 D HN 0.285 nan 8.370 nan 0.000 0.460 424 E N -1.436 118.818 120.200 0.090 0.000 2.106 424 E HA -0.232 4.117 4.350 -0.000 0.000 0.192 424 E C 1.836 178.506 176.600 0.115 0.000 0.984 424 E CA 0.575 57.026 56.400 0.084 0.000 0.806 424 E CB -0.247 29.501 29.700 0.080 0.000 0.750 424 E HN 0.439 nan 8.360 nan 0.000 0.458 425 Y N 0.865 121.169 120.300 0.006 0.000 2.224 425 Y HA -0.133 4.417 4.550 -0.000 0.000 0.289 425 Y C 1.973 177.873 175.900 -0.001 0.000 1.146 425 Y CA 1.360 59.458 58.100 -0.003 0.000 1.182 425 Y CB -0.641 37.810 38.460 -0.016 0.000 0.983 425 Y HN 0.133 nan 8.280 nan 0.000 0.524 426 A N 0.540 123.325 122.820 -0.059 0.000 1.908 426 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 426 A C 2.261 179.767 177.584 -0.130 0.000 1.181 426 A CA 2.071 54.026 52.037 -0.138 0.000 0.627 426 A CB -0.568 18.423 19.000 -0.014 0.000 0.818 426 A HN 0.532 nan 8.150 nan 0.000 0.445 427 K N -0.591 119.773 120.400 -0.061 0.000 2.057 427 K HA -0.219 4.100 4.320 -0.000 0.000 0.207 427 K C 2.366 178.926 176.600 -0.068 0.000 1.049 427 K CA 1.580 57.840 56.287 -0.045 0.000 0.931 427 K CB -0.213 32.281 32.500 -0.010 0.000 0.714 427 K HN 0.750 nan 8.250 nan 0.000 0.440 428 Q N 1.071 120.823 119.800 -0.080 0.000 2.291 428 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 428 Q C 1.691 177.608 176.000 -0.139 0.000 0.976 428 Q CA 1.121 56.878 55.803 -0.077 0.000 0.875 428 Q CB 0.239 28.963 28.738 -0.022 0.000 0.927 428 Q HN 0.117 nan 8.270 nan 0.000 0.450 429 V N -0.062 119.706 119.914 -0.243 0.000 2.426 429 V HA 0.150 4.270 4.120 -0.000 0.000 0.242 429 V C 1.296 177.307 176.094 -0.138 0.000 1.036 429 V CA 1.046 63.200 62.300 -0.244 0.000 1.044 429 V CB -0.523 31.058 31.823 -0.404 0.000 0.688 429 V HN 0.700 nan 8.190 nan 0.000 0.462 430 G N -0.505 108.225 108.800 -0.116 0.000 2.752 430 G HA2 0.282 4.242 3.960 -0.000 0.000 0.234 430 G HA3 0.282 4.242 3.960 -0.000 0.000 0.234 430 G C 0.542 175.407 174.900 -0.057 0.000 1.367 430 G CA -0.423 44.635 45.100 -0.070 0.000 0.879 430 G HN 1.792 nan 8.290 nan 0.000 0.563 431 G N -1.322 107.455 108.800 -0.038 0.000 2.697 431 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.240 431 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.240 431 G C 0.815 175.701 174.900 -0.024 0.000 1.346 431 G CA 0.951 46.033 45.100 -0.030 0.000 0.887 431 G HN 1.470 nan 8.290 nan 0.000 0.569 432 K N 0.410 120.799 120.400 -0.018 0.000 2.288 432 K HA -0.002 4.318 4.320 -0.000 0.000 0.201 432 K C 2.349 178.942 176.600 -0.012 0.000 1.048 432 K CA 1.584 57.864 56.287 -0.011 0.000 0.956 432 K CB -0.058 32.438 32.500 -0.006 0.000 0.746 432 K HN 0.633 nan 8.250 nan 0.000 0.461 433 E N 0.830 121.017 120.200 -0.022 0.000 2.110 433 E HA -0.174 4.175 4.350 -0.000 0.000 0.193 433 E C 2.024 178.612 176.600 -0.019 0.000 0.988 433 E CA 0.983 57.370 56.400 -0.021 0.000 0.804 433 E CB -0.111 29.567 29.700 -0.037 0.000 0.745 433 E HN 0.323 nan 8.360 nan 0.000 0.458 434 A N 1.290 124.087 122.820 -0.038 0.000 1.972 434 A HA -0.161 4.158 4.320 -0.000 0.000 0.219 434 A C 2.065 179.656 177.584 0.010 0.000 1.169 434 A CA 0.925 52.938 52.037 -0.039 0.000 0.635 434 A CB -0.293 18.676 19.000 -0.052 0.000 0.810 434 A HN 0.098 nan 8.150 nan 0.000 0.446 435 L N -0.661 120.573 121.223 0.017 0.000 2.046 435 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 435 L C 2.988 179.908 176.870 0.083 0.000 1.077 435 L CA 2.027 56.890 54.840 0.039 0.000 0.747 435 L CB -1.887 40.185 42.059 0.022 0.000 0.896 435 L HN 0.442 nan 8.230 nan 0.000 0.432 436 A N -0.030 122.839 122.820 0.082 0.000 1.902 436 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 436 A C 2.341 180.134 177.584 0.349 0.000 1.181 436 A CA 1.428 53.560 52.037 0.159 0.000 0.623 436 A CB -0.551 18.475 19.000 0.043 0.000 0.818 436 A HN 0.363 nan 8.150 nan 0.000 0.443 437 I N -0.437 120.259 120.570 0.209 0.000 2.226 437 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 437 I C 2.491 178.736 176.117 0.214 0.000 1.100 437 I CA 1.497 62.910 61.300 0.190 0.000 1.374 437 I CB -0.454 37.586 38.000 0.065 0.000 1.057 437 I HN 0.424 nan 8.210 nan 0.000 0.413 438 E N 0.884 121.178 120.200 0.155 0.000 2.031 438 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 438 E C 1.917 178.614 176.600 0.162 0.000 0.994 438 E CA 1.494 57.973 56.400 0.131 0.000 0.800 438 E CB -0.201 29.550 29.700 0.086 0.000 0.752 438 E HN 0.443 nan 8.360 nan 0.000 0.447 439 N N 0.493 119.311 118.700 0.197 0.000 2.104 439 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 439 N C 1.500 177.132 175.510 0.202 0.000 1.024 439 N CA 0.882 54.053 53.050 0.200 0.000 0.853 439 N CB -0.431 38.201 38.487 0.241 0.000 1.008 439 N HN 0.134 nan 8.380 nan 0.000 0.424 440 F N 1.148 121.160 119.950 0.104 0.000 2.102 440 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 440 F C 2.140 177.885 175.800 -0.092 0.000 1.105 440 F CA 1.402 59.305 58.000 -0.163 0.000 1.239 440 F CB -0.215 38.632 39.000 -0.256 0.000 0.991 440 F HN 0.055 nan 8.300 nan 0.000 0.474 441 A N -0.179 122.823 122.820 0.303 0.000 1.877 441 A HA -0.276 4.044 4.320 -0.000 0.000 0.216 441 A C 1.847 179.461 177.584 0.051 0.000 1.186 441 A CA 2.114 54.264 52.037 0.188 0.000 0.620 441 A CB -1.321 17.774 19.000 0.158 0.000 0.822 441 A HN 0.533 nan 8.150 nan 0.000 0.443 442 D N -0.421 120.003 120.400 0.042 0.000 2.149 442 D HA -0.046 4.594 4.640 -0.000 0.000 0.198 442 D C 1.971 178.244 176.300 -0.045 0.000 0.990 442 D CA 1.537 55.539 54.000 0.003 0.000 0.839 442 D CB -0.161 40.652 40.800 0.022 0.000 0.948 442 D HN 0.360 nan 8.370 nan 0.000 0.460 443 A N 0.217 122.984 122.820 -0.089 0.000 1.940 443 A HA -0.122 4.197 4.320 -0.000 0.000 0.219 443 A C 2.316 179.795 177.584 -0.175 0.000 1.176 443 A CA 1.076 53.020 52.037 -0.154 0.000 0.631 443 A CB -0.904 17.938 19.000 -0.264 0.000 0.814 443 A HN 0.399 nan 8.150 nan 0.000 0.446 444 L N -0.819 120.289 121.223 -0.191 0.000 2.261 444 L HA -0.202 4.137 4.340 -0.000 0.000 0.216 444 L C 2.136 178.944 176.870 -0.103 0.000 1.114 444 L CA 1.389 56.136 54.840 -0.155 0.000 0.777 444 L CB -0.463 41.533 42.059 -0.105 0.000 0.910 444 L HN 0.387 nan 8.230 nan 0.000 0.440 445 K N 0.238 120.588 120.400 -0.084 0.000 2.515 445 K HA -0.103 4.216 4.320 -0.000 0.000 0.196 445 K C 1.791 178.351 176.600 -0.067 0.000 1.038 445 K CA 0.761 57.006 56.287 -0.069 0.000 0.967 445 K CB -0.141 32.327 32.500 -0.053 0.000 0.780 445 K HN 0.322 nan 8.250 nan 0.000 0.483 446 I N -0.021 120.503 120.570 -0.076 0.000 2.454 446 I HA -0.258 3.912 4.170 -0.000 0.000 0.254 446 I C 1.798 177.876 176.117 -0.064 0.000 1.156 446 I CA 1.113 62.373 61.300 -0.068 0.000 1.433 446 I CB -0.521 37.435 38.000 -0.073 0.000 1.082 446 I HN 0.001 nan 8.210 nan 0.000 0.432 447 I N 1.348 121.876 120.570 -0.069 0.000 2.076 447 I HA -0.149 4.021 4.170 -0.000 0.000 0.237 447 I C 0.226 176.309 176.117 -0.057 0.000 1.059 447 I CA 1.934 63.197 61.300 -0.062 0.000 1.317 447 I CB -2.778 35.185 38.000 -0.061 0.000 1.037 447 I HN 0.182 nan 8.210 nan 0.000 0.398 448 P HA -0.193 nan 4.420 nan 0.000 0.216 448 P C 1.780 179.052 177.300 -0.048 0.000 1.153 448 P CA 1.710 64.779 63.100 -0.051 0.000 0.858 448 P CB -0.093 31.575 31.700 -0.053 0.000 0.789 449 K N -0.504 119.867 120.400 -0.048 0.000 2.009 449 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 449 K C 2.107 178.680 176.600 -0.045 0.000 1.049 449 K CA 2.286 58.547 56.287 -0.043 0.000 0.929 449 K CB -0.762 31.712 32.500 -0.043 0.000 0.714 449 K HN 0.139 nan 8.250 nan 0.000 0.440 450 T N -0.556 113.969 114.554 -0.049 0.000 3.055 450 T HA 0.015 4.365 4.350 -0.000 0.000 0.265 450 T C 1.873 176.540 174.700 -0.056 0.000 1.111 450 T CA 0.405 62.476 62.100 -0.049 0.000 1.118 450 T CB -0.083 68.756 68.868 -0.049 0.000 0.909 450 T HN 0.206 nan 8.240 nan 0.000 0.501 451 L N 0.524 121.712 121.223 -0.060 0.000 2.056 451 L HA 0.093 4.433 4.340 -0.000 0.000 0.207 451 L C 3.283 180.107 176.870 -0.075 0.000 1.078 451 L CA 1.365 56.162 54.840 -0.072 0.000 0.749 451 L CB -0.716 41.300 42.059 -0.071 0.000 0.901 451 L HN 0.422 nan 8.230 nan 0.000 0.433 452 A N -0.373 122.411 122.820 -0.060 0.000 1.873 452 A HA -0.251 4.069 4.320 -0.000 0.000 0.215 452 A C 2.211 179.765 177.584 -0.049 0.000 1.186 452 A CA 1.707 53.712 52.037 -0.053 0.000 0.616 452 A CB -0.527 18.449 19.000 -0.039 0.000 0.823 452 A HN 0.449 nan 8.150 nan 0.000 0.442 453 E N 0.036 120.210 120.200 -0.045 0.000 2.058 453 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 453 E C 1.586 178.160 176.600 -0.043 0.000 0.997 453 E CA 1.532 57.908 56.400 -0.039 0.000 0.801 453 E CB -0.175 29.502 29.700 -0.037 0.000 0.746 453 E HN 0.534 nan 8.360 nan 0.000 0.450 454 N N 0.075 118.744 118.700 -0.051 0.000 2.364 454 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 454 N C 1.142 176.615 175.510 -0.060 0.000 1.022 454 N CA 1.108 54.125 53.050 -0.054 0.000 0.883 454 N CB -0.189 38.260 38.487 -0.063 0.000 0.965 454 N HN 0.236 nan 8.380 nan 0.000 0.438 455 A N -0.438 122.341 122.820 -0.069 0.000 2.251 455 A HA 0.421 4.741 4.320 -0.000 0.000 0.209 455 A C 1.473 179.031 177.584 -0.043 0.000 1.187 455 A CA 0.684 52.677 52.037 -0.072 0.000 0.823 455 A CB -0.292 18.652 19.000 -0.094 0.000 0.846 455 A HN 0.271 nan 8.150 nan 0.000 0.486 456 G N -1.072 107.706 108.800 -0.035 0.000 2.136 456 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.242 456 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.242 456 G C 0.063 174.951 174.900 -0.020 0.000 0.989 456 G CA 0.427 45.513 45.100 -0.024 0.000 0.682 456 G HN 0.444 nan 8.290 nan 0.000 0.522 457 L N -0.043 121.166 121.223 -0.025 0.000 2.416 457 L HA 0.510 4.849 4.340 -0.000 0.000 0.262 457 L C 0.549 177.408 176.870 -0.018 0.000 1.093 457 L CA -0.983 53.845 54.840 -0.020 0.000 0.801 457 L CB 0.687 42.732 42.059 -0.023 0.000 1.191 457 L HN 0.117 nan 8.230 nan 0.000 0.459 458 D N 0.232 120.624 120.400 -0.014 0.000 2.342 458 D HA 0.006 4.646 4.640 -0.000 0.000 0.260 458 D C 0.973 177.264 176.300 -0.015 0.000 1.278 458 D CA 0.147 54.139 54.000 -0.013 0.000 0.910 458 D CB 1.188 41.983 40.800 -0.009 0.000 1.079 458 D HN 0.460 nan 8.370 nan 0.000 0.496 459 T N 2.712 117.255 114.554 -0.018 0.000 2.699 459 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 459 T C 1.878 176.568 174.700 -0.017 0.000 1.036 459 T CA 1.458 63.545 62.100 -0.020 0.000 1.147 459 T CB 0.041 68.895 68.868 -0.022 0.000 0.862 459 T HN 0.343 nan 8.240 nan 0.000 0.446 460 V N 0.943 120.849 119.914 -0.013 0.000 2.307 460 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 460 V C 2.433 178.523 176.094 -0.008 0.000 1.045 460 V CA 1.920 64.214 62.300 -0.010 0.000 1.024 460 V CB -0.542 31.276 31.823 -0.008 0.000 0.651 460 V HN 0.548 nan 8.190 nan 0.000 0.449 461 E N -0.313 119.883 120.200 -0.007 0.000 2.051 461 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 461 E C 2.338 178.935 176.600 -0.004 0.000 0.991 461 E CA 1.429 57.827 56.400 -0.004 0.000 0.799 461 E CB -0.073 29.625 29.700 -0.003 0.000 0.748 461 E HN 0.335 nan 8.360 nan 0.000 0.449 462 M N 0.528 120.124 119.600 -0.007 0.000 2.108 462 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 462 M C 2.336 178.630 176.300 -0.008 0.000 1.066 462 M CA 1.035 56.330 55.300 -0.008 0.000 1.107 462 M CB -0.832 31.759 32.600 -0.015 0.000 1.356 462 M HN 0.256 nan 8.290 nan 0.000 0.406 463 L N -0.707 120.508 121.223 -0.012 0.000 2.056 463 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 463 L C 2.543 179.409 176.870 -0.006 0.000 1.078 463 L CA 1.194 56.026 54.840 -0.014 0.000 0.749 463 L CB -1.061 40.987 42.059 -0.018 0.000 0.901 463 L HN 0.108 nan 8.230 nan 0.000 0.433 464 V N 0.159 120.072 119.914 -0.003 0.000 2.332 464 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 464 V C 2.503 178.603 176.094 0.009 0.000 1.055 464 V CA 1.726 64.028 62.300 0.003 0.000 1.038 464 V CB -0.424 31.400 31.823 0.003 0.000 0.651 464 V HN 0.452 nan 8.190 nan 0.000 0.450 465 K N -0.626 119.779 120.400 0.009 0.000 2.167 465 K HA -0.038 4.281 4.320 -0.000 0.000 0.203 465 K C 1.939 178.553 176.600 0.024 0.000 1.052 465 K CA 1.069 57.365 56.287 0.015 0.000 0.956 465 K CB -0.125 32.382 32.500 0.011 0.000 0.735 465 K HN 0.370 nan 8.250 nan 0.000 0.451 466 V N 1.096 121.022 119.914 0.021 0.000 2.407 466 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 466 V C 2.004 178.131 176.094 0.055 0.000 1.041 466 V CA 1.138 63.459 62.300 0.035 0.000 1.040 466 V CB -0.325 31.507 31.823 0.016 0.000 0.671 466 V HN 0.119 nan 8.190 nan 0.000 0.455 467 I N 1.727 122.312 120.570 0.025 0.000 2.179 467 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 467 I C 2.737 178.898 176.117 0.073 0.000 1.088 467 I CA 2.078 63.393 61.300 0.024 0.000 1.357 467 I CB -0.891 37.108 38.000 -0.002 0.000 1.051 467 I HN 0.448 nan 8.210 nan 0.000 0.409 468 S N -0.464 115.268 115.700 0.053 0.000 2.387 468 S HA -0.182 4.287 4.470 -0.000 0.000 0.226 468 S C 2.007 176.642 174.600 0.060 0.000 1.026 468 S CA 1.063 59.294 58.200 0.052 0.000 0.972 468 S CB -0.650 62.569 63.200 0.032 0.000 0.814 468 S HN 0.551 nan 8.310 nan 0.000 0.477 469 E N 0.523 120.759 120.200 0.061 0.000 2.204 469 E HA -0.202 4.147 4.350 -0.000 0.000 0.194 469 E C 1.921 178.559 176.600 0.063 0.000 0.989 469 E CA 0.910 57.340 56.400 0.049 0.000 0.824 469 E CB -0.164 29.561 29.700 0.041 0.000 0.756 469 E HN 0.850 nan 8.360 nan 0.000 0.477 470 H N 0.340 119.413 119.070 0.005 0.000 2.333 470 H HA 0.019 4.575 4.556 -0.000 0.000 0.302 470 H C 1.881 177.212 175.328 0.006 0.000 1.075 470 H CA 1.723 57.774 56.048 0.005 0.000 1.348 470 H CB 0.277 30.041 29.762 0.005 0.000 1.393 470 H HN -0.059 nan 8.280 nan 0.000 0.509 471 K N 0.008 120.509 120.400 0.168 0.000 2.103 471 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 471 K C 2.174 178.782 176.600 0.014 0.000 1.048 471 K CA 1.498 57.844 56.287 0.099 0.000 0.930 471 K CB -0.145 32.407 32.500 0.087 0.000 0.716 471 K HN 0.476 nan 8.250 nan 0.000 0.444 472 N N 0.691 119.394 118.700 0.006 0.000 2.132 472 N HA -0.107 4.633 4.740 -0.000 0.000 0.187 472 N C 1.733 177.220 175.510 -0.038 0.000 1.038 472 N CA 0.799 53.843 53.050 -0.010 0.000 0.846 472 N CB 0.202 38.690 38.487 0.001 0.000 1.012 472 N HN 0.095 nan 8.380 nan 0.000 0.429 473 R N 0.051 120.518 120.500 -0.056 0.000 2.161 473 R HA 0.187 4.527 4.340 -0.000 0.000 0.213 473 R C 0.793 177.018 176.300 -0.125 0.000 1.055 473 R CA 0.574 56.631 56.100 -0.072 0.000 0.996 473 R CB 0.296 30.565 30.300 -0.051 0.000 0.901 473 R HN 0.352 nan 8.270 nan 0.000 0.456 474 G N -0.546 108.112 108.800 -0.236 0.000 2.343 474 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.465 474 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.465 474 G C 0.188 174.735 174.900 -0.588 0.000 1.282 474 G CA -0.791 44.121 45.100 -0.312 0.000 0.996 474 G HN 0.030 nan 8.290 nan 0.000 0.521 475 L N 0.653 121.675 121.223 -0.335 0.000 2.189 475 L HA 0.024 4.363 4.340 -0.000 0.000 0.214 475 L C 2.806 179.664 176.870 -0.020 0.000 1.097 475 L CA 1.896 56.647 54.840 -0.148 0.000 0.764 475 L CB -0.518 41.535 42.059 -0.010 0.000 0.900 475 L HN 0.784 nan 8.230 nan 0.000 0.436 476 G N -0.324 108.436 108.800 -0.065 0.000 2.920 476 G HA2 0.085 4.045 3.960 -0.000 0.000 0.208 476 G HA3 0.085 4.045 3.960 -0.000 0.000 0.208 476 G C 0.801 175.722 174.900 0.036 0.000 1.159 476 G CA -0.292 44.811 45.100 0.005 0.000 0.784 476 G HN 0.076 nan 8.290 nan 0.000 0.535 477 I N 2.092 122.679 120.570 0.028 0.000 2.436 477 I HA 0.401 4.571 4.170 -0.000 0.000 0.289 477 I C 0.883 177.128 176.117 0.215 0.000 1.083 477 I CA -0.203 61.161 61.300 0.105 0.000 1.372 477 I CB 0.227 38.265 38.000 0.063 0.000 1.408 477 I HN 0.023 nan 8.210 nan 0.000 0.516 478 G N 6.623 115.486 108.800 0.106 0.000 3.022 478 G HA2 0.703 4.663 3.960 -0.000 0.000 0.284 478 G HA3 0.703 4.663 3.960 -0.000 0.000 0.284 478 G C -0.889 174.033 174.900 0.037 0.000 1.375 478 G CA -0.709 44.431 45.100 0.068 0.000 0.902 478 G HN 0.377 nan 8.290 nan 0.000 0.538 479 I N 1.165 121.741 120.570 0.011 0.000 2.325 479 I HA 0.176 4.346 4.170 -0.000 0.000 0.291 479 I C -0.711 175.401 176.117 -0.009 0.000 1.019 479 I CA -0.386 60.913 61.300 -0.003 0.000 1.302 479 I CB 1.604 39.590 38.000 -0.023 0.000 1.401 479 I HN 0.278 nan 8.210 nan 0.000 0.485 480 D N 6.740 127.145 120.400 0.008 0.000 2.468 480 D HA 0.082 4.722 4.640 -0.000 0.000 0.218 480 D C 1.140 177.434 176.300 -0.010 0.000 1.155 480 D CA -0.411 53.603 54.000 0.024 0.000 0.924 480 D CB 1.144 41.980 40.800 0.061 0.000 1.029 480 D HN 0.389 nan 8.370 nan 0.000 0.515 481 V N 2.323 122.173 119.914 -0.108 0.000 2.392 481 V HA -0.205 3.914 4.120 -0.000 0.000 0.249 481 V C 1.874 177.878 176.094 -0.150 0.000 1.059 481 V CA 1.178 63.368 62.300 -0.182 0.000 1.051 481 V CB -1.128 30.504 31.823 -0.318 0.000 0.658 481 V HN 0.296 nan 8.190 nan 0.000 0.455 482 F N 1.358 121.305 119.950 -0.005 0.000 2.134 482 F HA 0.002 4.528 4.527 -0.000 0.000 0.299 482 F C 2.538 178.335 175.800 -0.005 0.000 1.097 482 F CA 2.168 60.164 58.000 -0.006 0.000 1.264 482 F CB -0.627 38.370 39.000 -0.006 0.000 1.001 482 F HN 0.292 nan 8.300 nan 0.000 0.479 483 E N -0.355 119.959 120.200 0.189 0.000 2.442 483 E HA 0.155 4.505 4.350 -0.000 0.000 0.195 483 E C 1.437 178.072 176.600 0.058 0.000 1.030 483 E CA 0.697 57.159 56.400 0.105 0.000 0.869 483 E CB -0.130 29.621 29.700 0.085 0.000 0.857 483 E HN 0.274 nan 8.360 nan 0.000 0.505 484 G N 1.265 110.089 108.800 0.039 0.000 2.225 484 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.264 484 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.264 484 G C -0.176 174.732 174.900 0.013 0.000 1.060 484 G CA 0.879 45.988 45.100 0.015 0.000 0.833 484 G HN 0.477 nan 8.290 nan 0.000 0.498 485 K N -2.229 118.181 120.400 0.017 0.000 2.615 485 K HA 0.686 5.006 4.320 -0.000 0.000 0.291 485 K C -3.484 173.127 176.600 0.019 0.000 1.017 485 K CA -2.202 54.094 56.287 0.016 0.000 0.882 485 K CB 1.302 33.814 32.500 0.020 0.000 1.522 485 K HN -0.064 nan 8.250 nan 0.000 0.412 486 P HA 0.256 nan 4.420 nan 0.000 0.271 486 P C -1.308 176.009 177.300 0.029 0.000 1.218 486 P CA -0.117 63.000 63.100 0.028 0.000 0.780 486 P CB 1.141 32.860 31.700 0.031 0.000 0.901 487 A N 1.463 124.303 122.820 0.034 0.000 2.610 487 A HA 0.429 4.749 4.320 -0.000 0.000 0.291 487 A C -1.406 176.197 177.584 0.031 0.000 1.086 487 A CA -0.511 51.544 52.037 0.031 0.000 0.677 487 A CB 1.003 20.024 19.000 0.035 0.000 1.278 487 A HN 0.454 nan 8.150 nan 0.000 0.414 488 D N 2.030 122.444 120.400 0.022 0.000 2.365 488 D HA 0.218 4.858 4.640 -0.000 0.000 0.237 488 D C 0.961 177.276 176.300 0.024 0.000 1.190 488 D CA -0.416 53.594 54.000 0.017 0.000 0.867 488 D CB 0.578 41.381 40.800 0.004 0.000 1.050 488 D HN 0.380 nan 8.370 nan 0.000 0.491 489 M N 3.374 122.993 119.600 0.031 0.000 2.202 489 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 489 M C 1.577 177.893 176.300 0.027 0.000 1.063 489 M CA 0.705 56.025 55.300 0.034 0.000 1.097 489 M CB -0.524 32.099 32.600 0.037 0.000 1.382 489 M HN 0.416 nan 8.290 nan 0.000 0.413 490 L N 0.546 121.782 121.223 0.020 0.000 2.017 490 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 490 L C 2.357 179.235 176.870 0.014 0.000 1.073 490 L CA 1.747 56.596 54.840 0.015 0.000 0.745 490 L CB -1.392 40.672 42.059 0.009 0.000 0.894 490 L HN 0.387 nan 8.230 nan 0.000 0.432 491 E N -0.620 119.588 120.200 0.012 0.000 2.153 491 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 491 E C 1.874 178.483 176.600 0.014 0.000 0.988 491 E CA 0.654 57.061 56.400 0.011 0.000 0.811 491 E CB -0.079 29.626 29.700 0.009 0.000 0.746 491 E HN 0.353 nan 8.360 nan 0.000 0.466 492 K N -0.324 120.089 120.400 0.021 0.000 2.288 492 K HA -0.018 4.302 4.320 -0.000 0.000 0.201 492 K C 1.430 178.046 176.600 0.026 0.000 1.048 492 K CA 0.895 57.198 56.287 0.028 0.000 0.956 492 K CB 0.186 32.712 32.500 0.043 0.000 0.746 492 K HN 0.330 nan 8.250 nan 0.000 0.461 493 G N 1.554 110.368 108.800 0.023 0.000 2.136 493 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.242 493 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.242 493 G C 0.047 174.964 174.900 0.027 0.000 0.989 493 G CA -0.211 44.902 45.100 0.021 0.000 0.682 493 G HN 0.170 nan 8.290 nan 0.000 0.522 494 I N 2.245 122.836 120.570 0.034 0.000 2.241 494 I HA 0.402 4.572 4.170 -0.000 0.000 0.294 494 I C 1.027 177.162 176.117 0.029 0.000 1.145 494 I CA -0.528 60.795 61.300 0.039 0.000 1.261 494 I CB -0.926 37.103 38.000 0.050 0.000 1.475 494 I HN 0.394 nan 8.210 nan 0.000 0.533 495 I N 3.254 123.838 120.570 0.025 0.000 3.002 495 I HA 0.787 4.957 4.170 -0.000 0.000 0.310 495 I C -0.440 175.687 176.117 0.017 0.000 1.087 495 I CA -0.734 60.578 61.300 0.020 0.000 1.017 495 I CB 2.585 40.596 38.000 0.017 0.000 1.226 495 I HN 0.420 nan 8.210 nan 0.000 0.443 496 E N 1.935 122.143 120.200 0.015 0.000 2.433 496 E HA 0.596 4.946 4.350 -0.000 0.000 0.278 496 E C -3.113 173.494 176.600 0.011 0.000 0.976 496 E CA -2.316 54.091 56.400 0.012 0.000 0.793 496 E CB 2.027 31.732 29.700 0.010 0.000 1.311 496 E HN 0.273 nan 8.360 nan 0.000 0.460 497 P HA 0.001 nan 4.420 nan 0.000 0.271 497 P C 0.784 178.090 177.300 0.010 0.000 1.216 497 P CA -0.319 62.787 63.100 0.010 0.000 0.776 497 P CB 0.634 32.340 31.700 0.009 0.000 0.881 498 L N 3.677 124.907 121.223 0.011 0.000 2.042 498 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 498 L C 2.247 179.123 176.870 0.010 0.000 1.076 498 L CA 1.872 56.718 54.840 0.010 0.000 0.749 498 L CB -0.329 41.736 42.059 0.011 0.000 0.893 498 L HN 0.469 nan 8.230 nan 0.000 0.432 499 R N -0.657 119.849 120.500 0.010 0.000 2.117 499 R HA -0.182 4.158 4.340 -0.000 0.000 0.243 499 R C 2.131 178.437 176.300 0.009 0.000 1.143 499 R CA 1.857 57.963 56.100 0.010 0.000 0.968 499 R CB -0.232 30.075 30.300 0.012 0.000 0.863 499 R HN 0.318 nan 8.270 nan 0.000 0.444 500 V N 1.335 121.254 119.914 0.008 0.000 2.287 500 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 500 V C 2.368 178.463 176.094 0.003 0.000 1.053 500 V CA 1.808 64.111 62.300 0.005 0.000 1.027 500 V CB -0.347 31.478 31.823 0.004 0.000 0.646 500 V HN 0.307 nan 8.190 nan 0.000 0.447 501 K N -0.045 120.357 120.400 0.004 0.000 2.116 501 K HA -0.063 4.257 4.320 -0.000 0.000 0.203 501 K C 2.140 178.744 176.600 0.008 0.000 1.052 501 K CA 0.967 57.255 56.287 0.003 0.000 0.952 501 K CB -0.242 32.261 32.500 0.005 0.000 0.729 501 K HN 0.474 nan 8.250 nan 0.000 0.446 502 K N 0.731 121.137 120.400 0.009 0.000 2.057 502 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 502 K C 2.242 178.851 176.600 0.014 0.000 1.049 502 K CA 1.289 57.583 56.287 0.012 0.000 0.931 502 K CB -0.030 32.476 32.500 0.009 0.000 0.714 502 K HN -0.017 nan 8.250 nan 0.000 0.440 503 Q N 0.964 120.771 119.800 0.011 0.000 2.083 503 Q HA -0.036 4.303 4.340 -0.000 0.000 0.198 503 Q C 1.887 177.893 176.000 0.010 0.000 0.969 503 Q CA 1.691 57.501 55.803 0.012 0.000 0.838 503 Q CB -0.245 28.499 28.738 0.010 0.000 0.900 503 Q HN 0.293 nan 8.270 nan 0.000 0.436 504 A N 0.491 123.314 122.820 0.005 0.000 1.908 504 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 504 A C 1.899 179.483 177.584 -0.001 0.000 1.181 504 A CA 1.621 53.656 52.037 -0.003 0.000 0.627 504 A CB -0.708 18.284 19.000 -0.012 0.000 0.818 504 A HN 0.452 nan 8.150 nan 0.000 0.445 505 I N -0.155 120.423 120.570 0.013 0.000 2.315 505 I HA -0.181 3.988 4.170 -0.000 0.000 0.248 505 I C 2.207 178.359 176.117 0.058 0.000 1.117 505 I CA 1.445 62.769 61.300 0.040 0.000 1.404 505 I CB -1.312 36.735 38.000 0.078 0.000 1.071 505 I HN 0.368 nan 8.210 nan 0.000 0.419 506 K N 0.757 121.182 120.400 0.043 0.000 1.985 506 K HA -0.112 4.208 4.320 -0.000 0.000 0.210 506 K C 2.354 178.979 176.600 0.040 0.000 1.047 506 K CA 1.817 58.130 56.287 0.043 0.000 0.932 506 K CB -0.193 32.325 32.500 0.029 0.000 0.716 506 K HN 0.139 nan 8.250 nan 0.000 0.439 507 S N 0.860 116.575 115.700 0.026 0.000 2.356 507 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 507 S C 2.148 176.759 174.600 0.019 0.000 1.032 507 S CA 1.293 59.506 58.200 0.021 0.000 1.005 507 S CB -0.274 62.933 63.200 0.012 0.000 0.867 507 S HN 0.443 nan 8.310 nan 0.000 0.449 508 A N 1.235 124.058 122.820 0.006 0.000 1.933 508 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 508 A C 2.333 179.921 177.584 0.007 0.000 1.175 508 A CA 1.824 53.852 52.037 -0.014 0.000 0.628 508 A CB -0.788 18.177 19.000 -0.059 0.000 0.814 508 A HN 0.440 nan 8.150 nan 0.000 0.444 509 S N -0.169 115.560 115.700 0.048 0.000 2.345 509 S HA -0.135 4.335 4.470 -0.000 0.000 0.220 509 S C 1.836 176.512 174.600 0.128 0.000 1.031 509 S CA 1.404 59.678 58.200 0.124 0.000 0.996 509 S CB -0.336 62.984 63.200 0.200 0.000 0.882 509 S HN 0.707 nan 8.310 nan 0.000 0.445 510 E N 1.393 121.648 120.200 0.093 0.000 2.150 510 E HA -0.061 4.288 4.350 -0.000 0.000 0.193 510 E C 2.264 178.909 176.600 0.074 0.000 0.985 510 E CA 0.899 57.348 56.400 0.082 0.000 0.814 510 E CB -0.216 29.520 29.700 0.059 0.000 0.752 510 E HN 0.497 nan 8.360 nan 0.000 0.466 511 A N 1.798 124.654 122.820 0.061 0.000 1.872 511 A HA -0.016 4.304 4.320 -0.000 0.000 0.214 511 A C 2.450 180.074 177.584 0.066 0.000 1.187 511 A CA 1.460 53.527 52.037 0.051 0.000 0.614 511 A CB -0.589 18.430 19.000 0.033 0.000 0.826 511 A HN 0.272 nan 8.150 nan 0.000 0.442 512 A N 0.188 123.058 122.820 0.082 0.000 1.883 512 A HA -0.106 4.213 4.320 -0.000 0.000 0.217 512 A C 2.016 179.691 177.584 0.152 0.000 1.186 512 A CA 1.727 53.836 52.037 0.118 0.000 0.624 512 A CB -0.569 18.519 19.000 0.148 0.000 0.822 512 A HN 0.407 nan 8.150 nan 0.000 0.444 513 I N -0.492 120.186 120.570 0.180 0.000 2.208 513 I HA -0.269 3.900 4.170 -0.000 0.000 0.245 513 I C 2.601 178.774 176.117 0.092 0.000 1.097 513 I CA 2.136 63.530 61.300 0.156 0.000 1.363 513 I CB -1.125 36.974 38.000 0.163 0.000 1.051 513 I HN 0.573 nan 8.210 nan 0.000 0.413 514 M N 0.421 120.068 119.600 0.078 0.000 2.086 514 M HA -0.215 4.265 4.480 -0.000 0.000 0.261 514 M C 2.170 178.499 176.300 0.049 0.000 1.067 514 M CA 1.891 57.225 55.300 0.056 0.000 1.116 514 M CB -0.010 32.619 32.600 0.049 0.000 1.348 514 M HN -0.012 nan 8.290 nan 0.000 0.407 515 I N 0.686 121.287 120.570 0.052 0.000 2.226 515 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 515 I C 2.305 178.442 176.117 0.034 0.000 1.100 515 I CA 1.107 62.432 61.300 0.043 0.000 1.374 515 I CB -1.453 36.572 38.000 0.043 0.000 1.057 515 I HN 0.382 nan 8.210 nan 0.000 0.413 516 L N 0.661 121.907 121.223 0.038 0.000 2.187 516 L HA -0.173 4.167 4.340 -0.000 0.000 0.213 516 L C 2.456 179.327 176.870 0.001 0.000 1.100 516 L CA 1.607 56.454 54.840 0.011 0.000 0.765 516 L CB -1.153 40.905 42.059 -0.002 0.000 0.904 516 L HN 0.290 nan 8.230 nan 0.000 0.437 517 R N -1.114 119.397 120.500 0.018 0.000 2.299 517 R HA 0.113 4.453 4.340 -0.000 0.000 0.197 517 R C 0.428 176.737 176.300 0.015 0.000 0.971 517 R CA -0.037 56.074 56.100 0.018 0.000 1.030 517 R CB 0.086 30.405 30.300 0.032 0.000 0.932 517 R HN 0.246 nan 8.270 nan 0.000 0.477 518 I N 2.564 123.144 120.570 0.016 0.000 2.352 518 I HA -0.017 4.152 4.170 -0.000 0.000 0.290 518 I C 0.274 176.399 176.117 0.014 0.000 1.036 518 I CA 0.031 61.343 61.300 0.020 0.000 1.336 518 I CB 1.010 39.027 38.000 0.028 0.000 1.407 518 I HN 0.092 nan 8.210 nan 0.000 0.497 519 D N 3.361 123.769 120.400 0.015 0.000 2.582 519 D HA 0.163 4.803 4.640 -0.000 0.000 0.246 519 D C -0.449 175.868 176.300 0.030 0.000 1.334 519 D CA -0.134 53.873 54.000 0.012 0.000 0.805 519 D CB 0.371 41.165 40.800 -0.010 0.000 1.087 519 D HN 0.306 nan 8.370 nan 0.000 0.499 520 D N 0.057 120.482 120.400 0.041 0.000 2.861 520 D HA 0.262 4.902 4.640 -0.000 0.000 0.216 520 D C -1.607 174.732 176.300 0.065 0.000 1.323 520 D CA -0.424 53.608 54.000 0.052 0.000 0.917 520 D CB 2.158 42.977 40.800 0.032 0.000 1.582 520 D HN -0.166 nan 8.370 nan 0.000 0.576 521 V N 4.982 124.961 119.914 0.107 0.000 2.407 521 V HA 0.539 4.659 4.120 -0.000 0.000 0.291 521 V C 0.117 176.281 176.094 0.116 0.000 1.018 521 V CA -0.570 61.800 62.300 0.118 0.000 0.842 521 V CB 1.533 33.455 31.823 0.165 0.000 0.996 521 V HN 0.470 nan 8.190 nan 0.000 0.426 522 I N 4.497 125.103 120.570 0.059 0.000 2.420 522 I HA 0.702 4.872 4.170 -0.000 0.000 0.282 522 I C 0.217 176.349 176.117 0.024 0.000 1.019 522 I CA -0.443 60.876 61.300 0.031 0.000 1.130 522 I CB 1.684 39.690 38.000 0.010 0.000 1.262 522 I HN 0.644 nan 8.210 nan 0.000 0.454 523 A N 5.038 127.876 122.820 0.030 0.000 2.303 523 A HA 0.879 5.199 4.320 -0.000 0.000 0.320 523 A C 0.276 177.863 177.584 0.006 0.000 1.192 523 A CA -0.415 51.633 52.037 0.018 0.000 0.821 523 A CB 1.018 20.036 19.000 0.030 0.000 1.188 523 A HN 0.770 nan 8.150 nan 0.000 0.492 524 A N 2.318 125.138 122.820 0.000 0.000 2.281 524 A HA 0.474 4.794 4.320 -0.000 0.000 0.271 524 A C 0.644 178.228 177.584 -0.001 0.000 1.196 524 A CA -0.073 51.962 52.037 -0.003 0.000 0.807 524 A CB 0.104 19.102 19.000 -0.003 0.000 1.138 524 A HN 0.838 nan 8.150 nan 0.000 0.506 525 K N -0.276 120.123 120.400 -0.002 0.000 2.174 525 K HA 0.503 4.823 4.320 -0.000 0.000 0.275 525 K C 0.399 176.999 176.600 0.001 0.000 1.015 525 K CA -0.029 56.258 56.287 -0.000 0.000 0.933 525 K CB 0.890 33.389 32.500 -0.002 0.000 1.025 525 K HN 0.805 nan 8.250 nan 0.000 0.463 526 A N 0.000 122.821 122.820 0.002 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 19.002 19.000 0.004 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486