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 2gg6_1_A DATA FIRST_RESID 6 DATA SEQUENCE SSRPATARKS SGLSGTVRIP GDKSISHRSF MFGGLASGET RITGLLEGED DATA SEQUENCE VINTGKAMQA MGARIRKEGD TWIIDGVGNG GLLAPEAPLD FGNAATGCRL DATA SEQUENCE TMGLVGVYDF DSTFIGDASL TKRPMGRVLN PLREMGVQVK SEDGDRLPVT DATA SEQUENCE LRGPKTPTPI TYRVPMASAQ VKSAVLLAGL NTPGITTVIE PIMTRDHTEK DATA SEQUENCE MLQGFGANLT VETDADGVRT IRLEGRGKLT GQVIDVPGDP SSTAFPLVAA DATA SEQUENCE LLVPGSDVTI LNVLMNPTRT GLILTLQEMG ADIEVINPRL AGGEDVADLR DATA SEQUENCE VRSSTLKGVT VPEDRAPSMI DEYPILAVAA AFAEGATVMN GLEELRVKES DATA SEQUENCE DRLSAVANGL KLNGVDCDEG ETSLVVRGRP DGKGLGNASG AAVATHLDHR DATA SEQUENCE IAMSFLVMGL VSENPVTVDD ATMIATSFPE FMDLMAGLGA KIELS 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.597 174.600 -0.005 0.000 1.055 6 S CA 0.000 58.199 58.200 -0.003 0.000 1.107 6 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 7 S N 1.252 116.947 115.700 -0.009 0.000 2.578 7 S HA 0.824 5.294 4.470 -0.000 0.000 0.301 7 S C -1.128 173.466 174.600 -0.011 0.000 1.091 7 S CA -0.799 57.393 58.200 -0.013 0.000 1.032 7 S CB 1.120 64.307 63.200 -0.022 0.000 1.064 7 S HN 0.489 nan 8.310 nan 0.000 0.508 8 R N 2.550 123.044 120.500 -0.011 0.000 2.545 8 R HA 0.369 4.709 4.340 -0.000 0.000 0.289 8 R C -2.998 173.297 176.300 -0.008 0.000 1.327 8 R CA -2.198 53.898 56.100 -0.007 0.000 1.040 8 R CB 1.068 31.366 30.300 -0.003 0.000 1.176 8 R HN 0.433 nan 8.270 nan 0.000 0.518 9 P HA 0.262 nan 4.420 nan 0.000 0.272 9 P C -0.798 176.503 177.300 0.001 0.000 1.230 9 P CA -0.279 62.815 63.100 -0.009 0.000 0.788 9 P CB 1.116 32.808 31.700 -0.013 0.000 0.949 10 A N 1.114 123.939 122.820 0.008 0.000 2.515 10 A HA 0.703 5.023 4.320 -0.000 0.000 0.298 10 A C -0.827 176.774 177.584 0.029 0.000 1.059 10 A CA -0.425 51.624 52.037 0.021 0.000 0.698 10 A CB 1.282 20.301 19.000 0.032 0.000 1.289 10 A HN 0.417 nan 8.150 nan 0.000 0.404 11 T N 1.216 115.789 114.554 0.032 0.000 2.848 11 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 11 T C -0.203 174.524 174.700 0.045 0.000 0.995 11 T CA 0.110 62.233 62.100 0.039 0.000 0.970 11 T CB 1.566 70.450 68.868 0.028 0.000 0.976 11 T HN 1.349 nan 8.240 nan 0.000 0.441 12 A N 3.700 126.557 122.820 0.061 0.000 2.305 12 A HA 0.825 5.145 4.320 -0.000 0.000 0.322 12 A C -0.072 177.541 177.584 0.048 0.000 1.187 12 A CA -0.771 51.300 52.037 0.056 0.000 0.825 12 A CB 0.717 19.766 19.000 0.081 0.000 1.164 12 A HN 0.820 nan 8.150 nan 0.000 0.498 13 R N 1.002 121.520 120.500 0.030 0.000 2.778 13 R HA 0.420 4.760 4.340 -0.000 0.000 0.277 13 R C -0.392 175.918 176.300 0.016 0.000 0.977 13 R CA -0.950 55.165 56.100 0.025 0.000 0.950 13 R CB 1.762 32.071 30.300 0.016 0.000 1.165 13 R HN 0.768 nan 8.270 nan 0.000 0.474 14 K N 1.163 121.574 120.400 0.017 0.000 2.491 14 K HA 0.029 4.349 4.320 -0.000 0.000 0.279 14 K C -0.736 175.859 176.600 -0.008 0.000 1.026 14 K CA 0.643 56.933 56.287 0.005 0.000 1.070 14 K CB 0.419 32.927 32.500 0.012 0.000 0.887 14 K HN 0.472 nan 8.250 nan 0.000 0.481 15 S N 1.608 117.295 115.700 -0.022 0.000 2.607 15 S HA 0.325 4.795 4.470 -0.000 0.000 0.303 15 S C -0.687 173.896 174.600 -0.029 0.000 1.086 15 S CA -0.921 57.264 58.200 -0.026 0.000 0.995 15 S CB 1.958 65.138 63.200 -0.032 0.000 1.084 15 S HN 0.605 nan 8.310 nan 0.000 0.507 16 S N 0.782 116.467 115.700 -0.025 0.000 2.634 16 S HA 0.509 4.979 4.470 -0.000 0.000 0.261 16 S C 0.883 175.465 174.600 -0.029 0.000 1.271 16 S CA -0.564 57.621 58.200 -0.024 0.000 0.985 16 S CB 0.268 63.457 63.200 -0.019 0.000 0.968 16 S HN 0.909 nan 8.310 nan 0.000 0.568 17 G N 0.734 109.518 108.800 -0.027 0.000 2.257 17 G HA2 0.166 4.126 3.960 -0.000 0.000 0.235 17 G HA3 0.166 4.126 3.960 -0.000 0.000 0.235 17 G C -0.424 174.459 174.900 -0.029 0.000 1.225 17 G CA -0.145 44.938 45.100 -0.029 0.000 0.878 17 G HN 0.540 nan 8.290 nan 0.000 0.505 18 L N 1.473 122.677 121.223 -0.032 0.000 2.326 18 L HA 0.531 4.871 4.340 -0.000 0.000 0.278 18 L C 0.673 177.528 176.870 -0.024 0.000 1.092 18 L CA -0.229 54.593 54.840 -0.031 0.000 0.810 18 L CB 1.514 43.552 42.059 -0.034 0.000 1.153 18 L HN 0.545 nan 8.230 nan 0.000 0.439 19 S N 1.407 117.094 115.700 -0.022 0.000 2.543 19 S HA 0.887 5.357 4.470 -0.000 0.000 0.271 19 S C -0.593 173.999 174.600 -0.013 0.000 1.148 19 S CA 0.156 58.346 58.200 -0.016 0.000 0.914 19 S CB 1.725 64.915 63.200 -0.015 0.000 1.096 19 S HN 1.050 nan 8.310 nan 0.000 0.471 20 G N 1.855 110.649 108.800 -0.009 0.000 2.356 20 G HA2 0.365 4.324 3.960 -0.000 0.000 0.300 20 G HA3 0.365 4.324 3.960 -0.000 0.000 0.300 20 G C -1.409 173.491 174.900 -0.001 0.000 1.331 20 G CA -0.385 44.712 45.100 -0.005 0.000 0.905 20 G HN 0.847 nan 8.290 nan 0.000 0.587 21 T N 0.218 114.774 114.554 0.002 0.000 2.879 21 T HA 0.734 5.084 4.350 -0.000 0.000 0.290 21 T C -0.265 174.442 174.700 0.011 0.000 0.993 21 T CA 0.061 62.165 62.100 0.006 0.000 0.975 21 T CB 1.331 70.201 68.868 0.004 0.000 0.981 21 T HN 1.857 nan 8.240 nan 0.000 0.439 22 V N 1.209 121.133 119.914 0.018 0.000 2.971 22 V HA 0.734 4.854 4.120 -0.000 0.000 0.309 22 V C -0.658 175.453 176.094 0.028 0.000 1.130 22 V CA -1.465 60.851 62.300 0.027 0.000 0.964 22 V CB 2.128 33.975 31.823 0.041 0.000 1.029 22 V HN 0.854 nan 8.190 nan 0.000 0.427 23 R N 2.387 122.904 120.500 0.028 0.000 2.297 23 R HA 0.638 4.977 4.340 -0.000 0.000 0.308 23 R C -0.789 175.525 176.300 0.024 0.000 1.029 23 R CA -0.650 55.462 56.100 0.019 0.000 0.929 23 R CB 1.365 31.674 30.300 0.015 0.000 1.046 23 R HN 0.858 nan 8.270 nan 0.000 0.461 24 I N 6.333 126.902 120.570 -0.001 0.000 2.581 24 I HA 0.280 4.450 4.170 -0.000 0.000 0.288 24 I C -2.079 173.988 176.117 -0.082 0.000 1.047 24 I CA -2.366 58.910 61.300 -0.041 0.000 1.374 24 I CB 1.085 39.042 38.000 -0.073 0.000 1.423 24 I HN 0.645 nan 8.210 nan 0.000 0.549 25 P HA 0.186 nan 4.420 nan 0.000 0.271 25 P C -0.510 176.702 177.300 -0.147 0.000 1.233 25 P CA -0.258 62.765 63.100 -0.129 0.000 0.789 25 P CB 0.291 31.892 31.700 -0.165 0.000 0.951 26 G N 0.333 109.064 108.800 -0.114 0.000 2.630 26 G HA2 0.054 4.014 3.960 -0.000 0.000 0.236 26 G HA3 0.054 4.014 3.960 -0.000 0.000 0.236 26 G C -0.392 174.414 174.900 -0.157 0.000 1.248 26 G CA -0.150 44.874 45.100 -0.126 0.000 0.844 26 G HN 0.493 nan 8.290 nan 0.000 0.588 27 D N -0.401 119.907 120.400 -0.155 0.000 2.417 27 D HA 0.057 4.697 4.640 -0.000 0.000 0.250 27 D C 1.424 177.611 176.300 -0.189 0.000 1.166 27 D CA -0.044 53.858 54.000 -0.163 0.000 0.881 27 D CB 0.973 41.662 40.800 -0.185 0.000 1.164 27 D HN 0.392 nan 8.370 nan 0.000 0.467 28 K N 1.719 122.030 120.400 -0.148 0.000 2.025 28 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 28 K C 1.801 178.340 176.600 -0.103 0.000 1.049 28 K CA 1.140 57.333 56.287 -0.158 0.000 0.933 28 K CB 0.047 32.515 32.500 -0.052 0.000 0.714 28 K HN 0.378 nan 8.250 nan 0.000 0.438 29 S N 0.964 116.636 115.700 -0.046 0.000 2.359 29 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 29 S C 1.881 176.400 174.600 -0.136 0.000 1.035 29 S CA 1.568 59.759 58.200 -0.015 0.000 1.018 29 S CB -0.264 62.936 63.200 -0.001 0.000 0.876 29 S HN 0.281 nan 8.310 nan 0.000 0.448 30 I N 1.088 121.478 120.570 -0.301 0.000 2.394 30 I HA -0.121 4.049 4.170 -0.000 0.000 0.251 30 I C 2.336 178.313 176.117 -0.233 0.000 1.136 30 I CA 0.703 61.840 61.300 -0.272 0.000 1.425 30 I CB -0.279 37.547 38.000 -0.290 0.000 1.079 30 I HN 0.199 nan 8.210 nan 0.000 0.425 31 S N -0.505 115.027 115.700 -0.281 0.000 2.368 31 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 31 S C 1.986 176.330 174.600 -0.426 0.000 1.029 31 S CA 0.964 58.919 58.200 -0.407 0.000 0.988 31 S CB -0.392 62.518 63.200 -0.484 0.000 0.838 31 S HN 0.444 nan 8.310 nan 0.000 0.462 32 H N 1.447 120.351 119.070 -0.276 0.000 2.319 32 H HA 0.024 4.580 4.556 -0.000 0.000 0.299 32 H C 2.364 177.542 175.328 -0.251 0.000 1.092 32 H CA 1.468 57.400 56.048 -0.193 0.000 1.302 32 H CB -0.167 29.520 29.762 -0.125 0.000 1.373 32 H HN 0.307 nan 8.280 nan 0.000 0.497 33 R N 0.107 120.469 120.500 -0.230 0.000 2.148 33 R HA -0.048 4.292 4.340 -0.000 0.000 0.227 33 R C 2.633 178.547 176.300 -0.642 0.000 1.103 33 R CA 1.029 56.718 56.100 -0.684 0.000 0.983 33 R CB 0.043 29.925 30.300 -0.697 0.000 0.874 33 R HN 0.115 nan 8.270 nan 0.000 0.451 34 S N 0.326 115.857 115.700 -0.282 0.000 2.368 34 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 34 S C 1.444 176.090 174.600 0.075 0.000 1.029 34 S CA 0.992 59.148 58.200 -0.073 0.000 0.988 34 S CB -0.182 62.960 63.200 -0.096 0.000 0.838 34 S HN 0.166 nan 8.310 nan 0.000 0.462 35 F N 1.819 121.683 119.950 -0.142 0.000 2.146 35 F HA 0.083 4.610 4.527 -0.000 0.000 0.298 35 F C 2.244 178.002 175.800 -0.070 0.000 1.096 35 F CA 0.444 58.386 58.000 -0.097 0.000 1.275 35 F CB -1.021 37.901 39.000 -0.131 0.000 1.008 35 F HN 0.190 nan 8.300 nan 0.000 0.480 36 M N -1.468 118.163 119.600 0.051 0.000 2.077 36 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 36 M C 2.142 178.511 176.300 0.115 0.000 1.070 36 M CA 1.600 56.911 55.300 0.019 0.000 1.125 36 M CB -0.714 31.822 32.600 -0.107 0.000 1.339 36 M HN -0.060 nan 8.290 nan 0.000 0.409 37 F N 0.348 120.208 119.950 -0.150 0.000 2.206 37 F HA 0.086 4.613 4.527 -0.000 0.000 0.298 37 F C 2.614 178.232 175.800 -0.302 0.000 1.090 37 F CA 0.911 58.637 58.000 -0.458 0.000 1.323 37 F CB -2.007 36.357 39.000 -1.059 0.000 1.028 37 F HN 0.149 nan 8.300 nan 0.000 0.492 38 G N -0.036 108.863 108.800 0.166 0.000 2.422 38 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.218 38 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.218 38 G C 2.038 177.067 174.900 0.216 0.000 1.146 38 G CA 0.846 46.144 45.100 0.329 0.000 0.769 38 G HN 0.496 nan 8.290 nan 0.000 0.547 39 G N 0.260 109.146 108.800 0.143 0.000 2.448 39 G HA2 0.012 3.972 3.960 -0.000 0.000 0.218 39 G HA3 0.012 3.972 3.960 -0.000 0.000 0.218 39 G C 1.637 176.594 174.900 0.095 0.000 1.135 39 G CA 0.857 46.011 45.100 0.089 0.000 0.784 39 G HN 0.399 nan 8.290 nan 0.000 0.543 40 L N 0.728 122.019 121.223 0.113 0.000 2.249 40 L HA 0.569 4.909 4.340 -0.000 0.000 0.207 40 L C 1.894 178.835 176.870 0.118 0.000 1.090 40 L CA 0.639 55.544 54.840 0.107 0.000 0.802 40 L CB -0.424 41.698 42.059 0.106 0.000 0.947 40 L HN 0.173 nan 8.230 nan 0.000 0.453 41 A N -0.660 122.252 122.820 0.155 0.000 2.366 41 A HA 0.390 4.710 4.320 -0.000 0.000 0.250 41 A C 0.474 178.160 177.584 0.170 0.000 1.099 41 A CA 0.002 52.164 52.037 0.208 0.000 0.794 41 A CB -0.137 19.114 19.000 0.419 0.000 1.056 41 A HN 0.314 nan 8.150 nan 0.000 0.499 42 S N 0.087 115.879 115.700 0.153 0.000 2.523 42 S HA 0.563 5.033 4.470 -0.000 0.000 0.275 42 S C 0.766 175.432 174.600 0.109 0.000 1.281 42 S CA 0.450 58.717 58.200 0.112 0.000 1.050 42 S CB 0.375 63.628 63.200 0.088 0.000 0.937 42 S HN 2.166 nan 8.310 nan 0.000 0.492 43 G N 2.741 111.595 108.800 0.091 0.000 2.568 43 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.222 43 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.222 43 G C -0.611 174.346 174.900 0.096 0.000 1.321 43 G CA -0.409 44.739 45.100 0.080 0.000 0.893 43 G HN 0.733 nan 8.290 nan 0.000 0.569 44 E N -0.327 119.922 120.200 0.082 0.000 2.216 44 E HA 0.612 4.962 4.350 -0.000 0.000 0.279 44 E C -0.496 176.168 176.600 0.106 0.000 0.997 44 E CA -0.246 56.209 56.400 0.092 0.000 0.817 44 E CB 0.998 30.738 29.700 0.067 0.000 1.096 44 E HN 0.467 nan 8.360 nan 0.000 0.393 45 T N 4.193 118.835 114.554 0.148 0.000 2.829 45 T HA 0.466 4.816 4.350 -0.000 0.000 0.280 45 T C -0.739 174.060 174.700 0.164 0.000 0.999 45 T CA -0.670 61.532 62.100 0.170 0.000 0.983 45 T CB 0.913 69.962 68.868 0.302 0.000 0.968 45 T HN 0.394 nan 8.240 nan 0.000 0.446 46 R N 2.631 123.209 120.500 0.131 0.000 2.480 46 R HA 0.663 5.003 4.340 -0.000 0.000 0.306 46 R C -0.947 175.439 176.300 0.143 0.000 0.958 46 R CA -0.669 55.511 56.100 0.133 0.000 0.861 46 R CB 1.698 32.047 30.300 0.083 0.000 1.171 46 R HN 0.508 nan 8.270 nan 0.000 0.445 47 I N 1.997 122.683 120.570 0.192 0.000 2.436 47 I HA 0.320 4.490 4.170 -0.000 0.000 0.289 47 I C 0.089 176.308 176.117 0.170 0.000 1.010 47 I CA -0.712 60.689 61.300 0.168 0.000 1.098 47 I CB 2.332 40.437 38.000 0.175 0.000 1.266 47 I HN 0.615 nan 8.210 nan 0.000 0.434 48 T N 0.773 115.389 114.554 0.104 0.000 2.885 48 T HA 0.666 5.016 4.350 -0.000 0.000 0.285 48 T C 0.753 175.488 174.700 0.058 0.000 1.019 48 T CA -0.093 62.062 62.100 0.092 0.000 1.010 48 T CB 1.801 70.703 68.868 0.057 0.000 1.022 48 T HN 1.094 nan 8.240 nan 0.000 0.466 49 G N 0.711 109.548 108.800 0.061 0.000 2.143 49 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.249 49 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.249 49 G C -0.068 174.818 174.900 -0.022 0.000 0.981 49 G CA 0.031 45.142 45.100 0.018 0.000 0.665 49 G HN 1.069 nan 8.290 nan 0.000 0.528 50 L N 0.653 121.867 121.223 -0.014 0.000 2.525 50 L HA 0.538 4.878 4.340 -0.000 0.000 0.278 50 L C 0.819 177.587 176.870 -0.171 0.000 1.218 50 L CA -0.462 54.270 54.840 -0.181 0.000 0.878 50 L CB 0.551 42.389 42.059 -0.368 0.000 1.127 50 L HN 0.328 nan 8.230 nan 0.000 0.492 51 L N 4.946 126.014 121.223 -0.257 0.000 2.360 51 L HA 0.183 4.523 4.340 -0.000 0.000 0.276 51 L C 0.450 177.183 176.870 -0.228 0.000 1.121 51 L CA 0.681 55.401 54.840 -0.201 0.000 0.845 51 L CB 0.404 42.327 42.059 -0.226 0.000 1.143 51 L HN 0.740 nan 8.230 nan 0.000 0.452 52 E N 4.193 124.338 120.200 -0.092 0.000 2.411 52 E HA 0.236 4.586 4.350 -0.000 0.000 0.204 52 E C 0.508 177.096 176.600 -0.020 0.000 1.059 52 E CA -0.208 56.164 56.400 -0.047 0.000 1.112 52 E CB 0.326 30.091 29.700 0.108 0.000 1.168 52 E HN 0.911 nan 8.360 nan 0.000 0.445 53 G N 0.747 109.511 108.800 -0.060 0.000 2.634 53 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.255 53 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.255 53 G C 0.609 175.487 174.900 -0.038 0.000 1.205 53 G CA -0.371 44.714 45.100 -0.026 0.000 0.884 53 G HN 0.153 nan 8.290 nan 0.000 0.549 54 E N -0.182 120.009 120.200 -0.014 0.000 2.118 54 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 54 E C 1.719 178.322 176.600 0.005 0.000 0.992 54 E CA 1.359 57.757 56.400 -0.002 0.000 0.804 54 E CB 0.061 29.762 29.700 0.002 0.000 0.741 54 E HN 0.464 nan 8.360 nan 0.000 0.458 55 D N 0.161 120.560 120.400 -0.002 0.000 2.104 55 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 55 D C 2.011 178.362 176.300 0.085 0.000 0.994 55 D CA 0.860 54.912 54.000 0.086 0.000 0.830 55 D CB -0.198 40.667 40.800 0.108 0.000 0.959 55 D HN 0.014 nan 8.370 nan 0.000 0.452 56 V N 1.092 120.904 119.914 -0.170 0.000 2.453 56 V HA -0.168 3.952 4.120 -0.000 0.000 0.247 56 V C 2.325 178.419 176.094 0.000 0.000 1.048 56 V CA 0.782 62.904 62.300 -0.297 0.000 1.049 56 V CB -0.194 31.314 31.823 -0.525 0.000 0.672 56 V HN 0.186 nan 8.190 nan 0.000 0.457 57 I N 0.819 121.390 120.570 0.002 0.000 2.286 57 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 57 I C 2.293 178.437 176.117 0.044 0.000 1.115 57 I CA 1.397 62.735 61.300 0.063 0.000 1.392 57 I CB -1.482 36.539 38.000 0.035 0.000 1.065 57 I HN 0.383 nan 8.210 nan 0.000 0.418 58 N N 0.550 119.274 118.700 0.040 0.000 2.120 58 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 58 N C 1.838 177.332 175.510 -0.027 0.000 1.024 58 N CA 1.648 54.685 53.050 -0.021 0.000 0.852 58 N CB -0.450 38.040 38.487 0.005 0.000 1.003 58 N HN 0.321 nan 8.380 nan 0.000 0.424 59 T N 0.084 114.747 114.554 0.183 0.000 2.746 59 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 59 T C 1.876 176.634 174.700 0.097 0.000 1.039 59 T CA 1.433 63.701 62.100 0.280 0.000 1.142 59 T CB -0.656 68.506 68.868 0.490 0.000 0.866 59 T HN 0.397 nan 8.240 nan 0.000 0.444 60 G N 1.564 110.390 108.800 0.043 0.000 2.418 60 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 60 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 60 G C 1.602 176.312 174.900 -0.316 0.000 1.158 60 G CA 0.709 45.516 45.100 -0.487 0.000 0.771 60 G HN 0.441 nan 8.290 nan 0.000 0.545 61 K N 0.533 120.816 120.400 -0.194 0.000 2.148 61 K HA 0.106 4.426 4.320 -0.000 0.000 0.204 61 K C 2.902 179.385 176.600 -0.194 0.000 1.050 61 K CA 0.863 57.044 56.287 -0.176 0.000 0.942 61 K CB -0.154 32.257 32.500 -0.149 0.000 0.724 61 K HN 0.275 nan 8.250 nan 0.000 0.446 62 A N 1.151 123.838 122.820 -0.222 0.000 1.930 62 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 62 A C 2.079 179.592 177.584 -0.119 0.000 1.175 62 A CA 1.235 53.138 52.037 -0.222 0.000 0.627 62 A CB -0.280 18.551 19.000 -0.282 0.000 0.815 62 A HN 0.101 nan 8.150 nan 0.000 0.443 63 M N -0.344 119.199 119.600 -0.096 0.000 2.159 63 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 63 M C 2.178 178.414 176.300 -0.107 0.000 1.063 63 M CA 1.375 56.627 55.300 -0.080 0.000 1.110 63 M CB -1.564 30.981 32.600 -0.091 0.000 1.374 63 M HN 0.530 nan 8.290 nan 0.000 0.411 64 Q N -0.236 119.479 119.800 -0.141 0.000 2.124 64 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 64 Q C 2.102 178.037 176.000 -0.108 0.000 0.977 64 Q CA 1.639 57.371 55.803 -0.118 0.000 0.850 64 Q CB -0.305 28.360 28.738 -0.122 0.000 0.901 64 Q HN 0.582 nan 8.270 nan 0.000 0.429 65 A N 0.319 123.063 122.820 -0.126 0.000 2.125 65 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 65 A C 1.666 179.166 177.584 -0.140 0.000 1.156 65 A CA 1.068 53.025 52.037 -0.134 0.000 0.671 65 A CB -0.191 18.714 19.000 -0.159 0.000 0.794 65 A HN 0.303 nan 8.150 nan 0.000 0.459 66 M N -1.669 117.858 119.600 -0.122 0.000 2.475 66 M HA 0.277 4.756 4.480 -0.000 0.000 0.283 66 M C 1.114 177.358 176.300 -0.093 0.000 1.165 66 M CA 0.667 55.890 55.300 -0.128 0.000 0.976 66 M CB 0.811 33.349 32.600 -0.103 0.000 1.428 66 M HN 0.537 nan 8.290 nan 0.000 0.495 67 G N 0.541 109.293 108.800 -0.079 0.000 2.211 67 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.201 67 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.201 67 G C 0.162 175.044 174.900 -0.030 0.000 0.997 67 G CA -0.146 44.924 45.100 -0.051 0.000 0.652 67 G HN 0.612 nan 8.290 nan 0.000 0.500 68 A N 0.563 123.362 122.820 -0.035 0.000 2.371 68 A HA 0.746 5.066 4.320 -0.000 0.000 0.257 68 A C 0.601 178.166 177.584 -0.031 0.000 1.089 68 A CA -0.014 52.011 52.037 -0.021 0.000 0.794 68 A CB 0.300 19.284 19.000 -0.028 0.000 1.029 68 A HN 0.476 nan 8.150 nan 0.000 0.488 69 R N 1.418 121.913 120.500 -0.007 0.000 2.255 69 R HA 0.587 4.927 4.340 -0.000 0.000 0.326 69 R C -1.212 175.094 176.300 0.010 0.000 0.986 69 R CA -0.076 56.021 56.100 -0.004 0.000 0.847 69 R CB 1.109 31.416 30.300 0.010 0.000 1.111 69 R HN 0.648 nan 8.270 nan 0.000 0.452 70 I N 3.918 124.489 120.570 0.001 0.000 2.498 70 I HA 0.498 4.668 4.170 -0.000 0.000 0.290 70 I C -0.083 176.113 176.117 0.131 0.000 1.032 70 I CA -0.896 60.436 61.300 0.053 0.000 1.073 70 I CB 1.770 39.701 38.000 -0.115 0.000 1.251 70 I HN 0.618 nan 8.210 nan 0.000 0.426 71 R N 4.148 124.761 120.500 0.188 0.000 2.734 71 R HA 0.587 4.927 4.340 -0.000 0.000 0.271 71 R C -1.714 174.495 176.300 -0.152 0.000 1.021 71 R CA -1.170 54.955 56.100 0.041 0.000 0.893 71 R CB 2.286 32.579 30.300 -0.011 0.000 1.244 71 R HN 0.426 nan 8.270 nan 0.000 0.464 72 K N 1.355 121.451 120.400 -0.506 0.000 2.358 72 K HA 0.209 4.529 4.320 -0.000 0.000 0.260 72 K C -1.286 175.064 176.600 -0.417 0.000 0.956 72 K CA -0.408 55.378 56.287 -0.835 0.000 0.834 72 K CB 1.851 33.462 32.500 -1.483 0.000 1.102 72 K HN 0.689 nan 8.250 nan 0.000 0.431 73 E N 3.284 123.311 120.200 -0.288 0.000 2.145 73 E HA 0.304 4.654 4.350 -0.000 0.000 0.262 73 E C 0.235 176.747 176.600 -0.147 0.000 0.883 73 E CA 0.005 56.306 56.400 -0.164 0.000 0.748 73 E CB 1.109 30.753 29.700 -0.094 0.000 1.140 73 E HN 0.918 nan 8.360 nan 0.000 0.417 74 G N 4.780 113.502 108.800 -0.129 0.000 2.591 74 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.298 74 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.298 74 G C 0.362 175.193 174.900 -0.116 0.000 1.195 74 G CA 0.430 45.473 45.100 -0.095 0.000 0.989 74 G HN 0.682 nan 8.290 nan 0.000 0.551 75 D N 1.450 121.806 120.400 -0.074 0.000 2.368 75 D HA 0.299 4.939 4.640 -0.000 0.000 0.218 75 D C 0.513 176.794 176.300 -0.031 0.000 1.112 75 D CA 0.822 54.792 54.000 -0.050 0.000 0.834 75 D CB 0.380 41.177 40.800 -0.004 0.000 0.953 75 D HN 0.322 nan 8.370 nan 0.000 0.505 76 T N 0.315 114.825 114.554 -0.074 0.000 2.807 76 T HA 0.280 4.630 4.350 -0.000 0.000 0.279 76 T C -0.408 174.263 174.700 -0.047 0.000 0.993 76 T CA -0.597 61.506 62.100 0.005 0.000 0.970 76 T CB 1.304 70.186 68.868 0.022 0.000 0.950 76 T HN -0.045 nan 8.240 nan 0.000 0.441 77 W N 3.436 124.780 121.300 0.074 0.000 2.316 77 W HA 0.543 5.203 4.660 -0.000 0.000 0.311 77 W C -0.311 176.279 176.519 0.119 0.000 1.217 77 W CA -0.839 56.582 57.345 0.127 0.000 1.199 77 W CB 0.608 30.202 29.460 0.224 0.000 1.202 77 W HN 0.297 nan 8.180 nan 0.000 0.528 78 I N 5.551 126.287 120.570 0.276 0.000 2.406 78 I HA 0.431 4.601 4.170 -0.000 0.000 0.290 78 I C -0.294 175.946 176.117 0.204 0.000 0.999 78 I CA -1.459 59.956 61.300 0.191 0.000 1.124 78 I CB 1.011 39.068 38.000 0.094 0.000 1.289 78 I HN 0.288 nan 8.210 nan 0.000 0.441 79 I N 4.722 125.407 120.570 0.192 0.000 2.465 79 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 79 I C -0.601 175.590 176.117 0.123 0.000 1.014 79 I CA -0.643 60.752 61.300 0.158 0.000 1.093 79 I CB 2.423 40.538 38.000 0.191 0.000 1.267 79 I HN 0.377 nan 8.210 nan 0.000 0.431 80 D N 5.756 126.209 120.400 0.088 0.000 2.392 80 D HA 0.324 4.964 4.640 -0.000 0.000 0.228 80 D C 0.216 176.561 176.300 0.075 0.000 1.074 80 D CA -0.017 54.028 54.000 0.076 0.000 0.838 80 D CB 2.216 43.047 40.800 0.053 0.000 1.067 80 D HN 0.704 nan 8.370 nan 0.000 0.511 81 G N 0.092 108.951 108.800 0.098 0.000 2.562 81 G HA2 0.326 4.286 3.960 -0.000 0.000 0.275 81 G HA3 0.326 4.286 3.960 -0.000 0.000 0.275 81 G C 1.196 176.144 174.900 0.080 0.000 1.196 81 G CA -0.599 44.560 45.100 0.099 0.000 0.908 81 G HN 0.315 nan 8.290 nan 0.000 0.524 82 V N -1.768 118.192 119.914 0.076 0.000 3.608 82 V HA 0.554 4.674 4.120 -0.000 0.000 0.269 82 V C 1.128 177.274 176.094 0.086 0.000 1.245 82 V CA 0.505 62.847 62.300 0.070 0.000 1.138 82 V CB -1.101 30.759 31.823 0.061 0.000 0.841 82 V HN 2.133 nan 8.190 nan 0.000 0.451 83 G N 1.214 110.072 108.800 0.098 0.000 2.721 83 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.686 83 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.686 83 G C -0.559 174.408 174.900 0.112 0.000 1.236 83 G CA -0.156 45.004 45.100 0.099 0.000 0.786 83 G HN 0.780 nan 8.290 nan 0.000 0.616 84 N N 0.812 119.573 118.700 0.101 0.000 2.412 84 N HA 0.470 5.210 4.740 -0.000 0.000 0.258 84 N C 1.666 177.251 175.510 0.125 0.000 1.236 84 N CA 2.012 55.126 53.050 0.107 0.000 0.882 84 N CB 0.543 39.068 38.487 0.063 0.000 1.066 84 N HN 2.224 nan 8.380 nan 0.000 0.465 85 G N 1.774 110.698 108.800 0.207 0.000 2.176 85 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.253 85 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.253 85 G C 0.757 175.855 174.900 0.330 0.000 0.979 85 G CA 0.428 45.649 45.100 0.201 0.000 0.641 85 G HN 0.872 nan 8.290 nan 0.000 0.530 86 G N -0.111 108.855 108.800 0.277 0.000 3.189 86 G HA2 0.498 4.458 3.960 -0.000 0.000 0.225 86 G HA3 0.498 4.458 3.960 -0.000 0.000 0.225 86 G C 0.746 175.751 174.900 0.175 0.000 1.159 86 G CA -0.166 45.059 45.100 0.209 0.000 0.763 86 G HN 0.547 nan 8.290 nan 0.000 0.549 87 L N 1.186 122.500 121.223 0.151 0.000 2.485 87 L HA 0.229 4.569 4.340 -0.000 0.000 0.275 87 L C 0.192 177.096 176.870 0.057 0.000 1.207 87 L CA 0.001 54.815 54.840 -0.043 0.000 0.855 87 L CB 0.865 42.674 42.059 -0.416 0.000 1.114 87 L HN -0.001 nan 8.230 nan 0.000 0.485 88 L N 2.762 123.940 121.223 -0.075 0.000 2.334 88 L HA 0.522 4.862 4.340 -0.000 0.000 0.275 88 L C 0.484 176.966 176.870 -0.647 0.000 1.036 88 L CA -0.788 53.922 54.840 -0.218 0.000 0.807 88 L CB 1.493 43.460 42.059 -0.154 0.000 1.231 88 L HN 0.668 nan 8.230 nan 0.000 0.438 89 A N 3.948 126.105 122.820 -1.106 0.000 2.524 89 A HA 0.339 4.659 4.320 -0.000 0.000 0.250 89 A C -2.082 175.120 177.584 -0.637 0.000 1.078 89 A CA -0.786 50.358 52.037 -1.489 0.000 0.761 89 A CB -0.788 17.574 19.000 -1.062 0.000 1.012 89 A HN 0.449 nan 8.150 nan 0.000 0.500 90 P HA 0.150 nan 4.420 nan 0.000 0.275 90 P C 0.173 177.350 177.300 -0.205 0.000 1.227 90 P CA -0.117 62.823 63.100 -0.266 0.000 0.781 90 P CB 0.995 32.566 31.700 -0.215 0.000 0.906 91 E N 0.911 121.014 120.200 -0.161 0.000 2.107 91 E HA 0.037 4.387 4.350 -0.000 0.000 0.191 91 E C 0.785 177.325 176.600 -0.100 0.000 0.982 91 E CA 0.791 57.119 56.400 -0.120 0.000 0.809 91 E CB 0.177 29.817 29.700 -0.101 0.000 0.756 91 E HN 0.599 nan 8.360 nan 0.000 0.459 92 A N 0.978 123.732 122.820 -0.111 0.000 2.437 92 A HA 0.556 4.876 4.320 -0.000 0.000 0.292 92 A C -2.598 174.912 177.584 -0.123 0.000 1.173 92 A CA -1.462 50.517 52.037 -0.098 0.000 0.785 92 A CB 0.544 19.491 19.000 -0.087 0.000 1.351 92 A HN -0.169 nan 8.150 nan 0.000 0.431 93 P HA 0.301 nan 4.420 nan 0.000 0.267 93 P C -1.073 176.112 177.300 -0.192 0.000 1.200 93 P CA 0.159 63.180 63.100 -0.132 0.000 0.772 93 P CB 0.255 31.914 31.700 -0.070 0.000 0.855 94 L N 2.626 123.680 121.223 -0.281 0.000 2.260 94 L HA 0.254 4.594 4.340 -0.000 0.000 0.289 94 L C 0.536 177.202 176.870 -0.340 0.000 1.057 94 L CA -0.319 54.291 54.840 -0.384 0.000 0.811 94 L CB 0.337 42.126 42.059 -0.449 0.000 1.184 94 L HN 0.296 nan 8.230 nan 0.000 0.429 95 D N 2.961 123.133 120.400 -0.381 0.000 2.396 95 D HA 0.171 4.811 4.640 -0.000 0.000 0.225 95 D C 0.164 176.252 176.300 -0.353 0.000 1.121 95 D CA -0.188 53.676 54.000 -0.227 0.000 0.853 95 D CB 0.770 41.486 40.800 -0.141 0.000 1.043 95 D HN 0.255 nan 8.370 nan 0.000 0.500 96 F N 2.187 122.161 119.950 0.040 0.000 2.693 96 F HA 0.239 4.766 4.527 -0.000 0.000 0.303 96 F C 2.082 177.910 175.800 0.046 0.000 1.097 96 F CA 0.286 58.319 58.000 0.055 0.000 1.330 96 F CB 0.229 39.279 39.000 0.083 0.000 1.067 96 F HN 0.620 nan 8.300 nan 0.000 0.565 97 G N 1.417 110.295 108.800 0.129 0.000 2.665 97 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.326 97 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.326 97 G C 1.213 176.177 174.900 0.107 0.000 1.231 97 G CA 0.765 45.920 45.100 0.091 0.000 0.992 97 G HN 0.399 nan 8.290 nan 0.000 0.549 98 N N 2.050 120.802 118.700 0.086 0.000 2.336 98 N HA 0.320 5.060 4.740 -0.000 0.000 0.189 98 N C 0.970 176.528 175.510 0.079 0.000 1.113 98 N CA 0.733 53.824 53.050 0.068 0.000 0.858 98 N CB -0.037 38.465 38.487 0.023 0.000 0.970 98 N HN 0.839 nan 8.380 nan 0.000 0.471 99 A N 0.580 123.475 122.820 0.125 0.000 2.506 99 A HA 0.544 4.864 4.320 -0.000 0.000 0.320 99 A C 1.113 178.706 177.584 0.015 0.000 1.424 99 A CA -0.299 51.803 52.037 0.107 0.000 1.044 99 A CB 0.439 19.567 19.000 0.213 0.000 1.140 99 A HN 0.296 nan 8.150 nan 0.000 0.538 100 A N 2.520 125.325 122.820 -0.026 0.000 1.969 100 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 100 A C 2.138 179.605 177.584 -0.195 0.000 1.169 100 A CA 2.304 54.285 52.037 -0.092 0.000 0.635 100 A CB -0.741 18.230 19.000 -0.048 0.000 0.810 100 A HN 0.620 nan 8.150 nan 0.000 0.445 101 T N -0.074 114.346 114.554 -0.223 0.000 2.652 101 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 101 T C 1.994 176.410 174.700 -0.473 0.000 1.039 101 T CA 1.666 63.557 62.100 -0.348 0.000 1.153 101 T CB -0.713 67.869 68.868 -0.476 0.000 0.863 101 T HN 0.576 nan 8.240 nan 0.000 0.428 102 G N -0.120 108.342 108.800 -0.562 0.000 2.418 102 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 102 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 102 G C 2.006 176.368 174.900 -0.897 0.000 1.158 102 G CA 1.022 45.892 45.100 -0.384 0.000 0.771 102 G HN 0.584 nan 8.290 nan 0.000 0.545 103 C N 0.560 119.204 119.300 -1.094 0.000 2.442 103 C HA 0.036 4.496 4.460 -0.000 0.000 0.279 103 C C 3.052 177.662 174.990 -0.633 0.000 1.237 103 C CA 1.312 59.618 59.018 -1.188 0.000 1.722 103 C CB -0.883 26.546 27.740 -0.518 0.000 2.056 103 C HN 0.492 nan 8.230 nan 0.000 0.469 104 R N -0.151 120.098 120.500 -0.418 0.000 2.096 104 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 104 R C 1.959 178.108 176.300 -0.252 0.000 1.127 104 R CA 1.286 57.201 56.100 -0.309 0.000 0.968 104 R CB -0.495 29.679 30.300 -0.211 0.000 0.861 104 R HN 0.414 nan 8.270 nan 0.000 0.440 105 L N 0.088 121.178 121.223 -0.222 0.000 2.093 105 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 105 L C 2.239 179.070 176.870 -0.064 0.000 1.085 105 L CA 1.738 56.509 54.840 -0.114 0.000 0.755 105 L CB -0.574 41.434 42.059 -0.086 0.000 0.904 105 L HN 0.114 nan 8.230 nan 0.000 0.435 106 T N -1.184 113.316 114.554 -0.090 0.000 2.904 106 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 106 T C 1.949 176.737 174.700 0.147 0.000 1.059 106 T CA 1.018 63.189 62.100 0.117 0.000 1.137 106 T CB -0.148 68.901 68.868 0.302 0.000 0.879 106 T HN 0.197 nan 8.240 nan 0.000 0.467 107 M N 0.914 120.409 119.600 -0.175 0.000 2.108 107 M HA -0.049 4.431 4.480 -0.000 0.000 0.261 107 M C 2.720 178.944 176.300 -0.128 0.000 1.066 107 M CA 1.810 56.865 55.300 -0.409 0.000 1.107 107 M CB -0.658 31.538 32.600 -0.674 0.000 1.356 107 M HN 0.388 nan 8.290 nan 0.000 0.406 108 G N 0.111 108.851 108.800 -0.099 0.000 2.402 108 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 108 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 108 G C 1.386 176.308 174.900 0.038 0.000 1.162 108 G CA 0.506 45.578 45.100 -0.046 0.000 0.777 108 G HN 0.320 nan 8.290 nan 0.000 0.539 109 L N 1.286 122.558 121.223 0.082 0.000 1.989 109 L HA -0.078 4.261 4.340 -0.000 0.000 0.211 109 L C 2.775 179.771 176.870 0.210 0.000 1.071 109 L CA 2.597 57.525 54.840 0.147 0.000 0.749 109 L CB -0.361 41.789 42.059 0.152 0.000 0.890 109 L HN 0.251 nan 8.230 nan 0.000 0.431 110 V N -3.884 116.145 119.914 0.192 0.000 3.644 110 V HA 0.376 4.496 4.120 -0.000 0.000 0.267 110 V C 2.134 178.336 176.094 0.180 0.000 1.277 110 V CA 0.649 63.049 62.300 0.167 0.000 1.096 110 V CB -0.834 31.087 31.823 0.164 0.000 0.828 110 V HN 0.342 nan 8.190 nan 0.000 0.446 111 G N 1.679 110.573 108.800 0.157 0.000 2.448 111 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.219 111 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.219 111 G C 1.413 176.329 174.900 0.026 0.000 1.127 111 G CA 1.657 46.807 45.100 0.084 0.000 0.766 111 G HN 1.016 nan 8.290 nan 0.000 0.552 112 V N -3.220 116.718 119.914 0.040 0.000 3.623 112 V HA 0.348 4.468 4.120 -0.000 0.000 0.271 112 V C 0.604 176.606 176.094 -0.155 0.000 1.248 112 V CA -0.739 61.529 62.300 -0.053 0.000 1.156 112 V CB -1.225 30.552 31.823 -0.078 0.000 0.870 112 V HN 0.144 nan 8.190 nan 0.000 0.453 113 Y N 0.724 120.832 120.300 -0.319 0.000 2.301 113 Y HA 0.491 5.041 4.550 -0.000 0.000 0.325 113 Y C 0.869 176.427 175.900 -0.570 0.000 1.203 113 Y CA -0.777 56.998 58.100 -0.543 0.000 1.255 113 Y CB 0.863 38.683 38.460 -1.065 0.000 1.232 113 Y HN 0.040 nan 8.280 nan 0.000 0.501 114 D N 3.578 123.820 120.400 -0.264 0.000 2.885 114 D HA 0.114 4.754 4.640 -0.000 0.000 0.234 114 D C -1.398 174.925 176.300 0.037 0.000 1.129 114 D CA 0.279 54.218 54.000 -0.102 0.000 0.991 114 D CB -1.206 39.578 40.800 -0.027 0.000 1.137 114 D HN 0.298 nan 8.370 nan 0.000 0.459 115 F N -1.759 118.259 119.950 0.113 0.000 2.713 115 F HA 0.469 4.996 4.527 -0.000 0.000 0.311 115 F C -0.745 175.100 175.800 0.075 0.000 1.141 115 F CA -1.624 56.424 58.000 0.079 0.000 0.939 115 F CB 0.414 39.455 39.000 0.068 0.000 1.325 115 F HN -0.346 nan 8.300 nan 0.000 0.453 116 D N 1.312 121.948 120.400 0.393 0.000 2.302 116 D HA 0.502 5.142 4.640 -0.000 0.000 0.248 116 D C -0.560 175.921 176.300 0.302 0.000 1.094 116 D CA 0.083 54.242 54.000 0.266 0.000 0.897 116 D CB 1.640 42.529 40.800 0.149 0.000 1.200 116 D HN 0.773 nan 8.370 nan 0.000 0.429 117 S N -0.091 115.756 115.700 0.244 0.000 2.571 117 S HA 0.637 5.106 4.470 -0.000 0.000 0.284 117 S C -0.527 174.129 174.600 0.092 0.000 1.128 117 S CA -0.827 57.456 58.200 0.138 0.000 0.970 117 S CB 1.701 65.033 63.200 0.221 0.000 1.039 117 S HN 0.186 nan 8.310 nan 0.000 0.485 118 T N 3.044 117.538 114.554 -0.100 0.000 2.856 118 T HA 0.680 5.030 4.350 -0.000 0.000 0.283 118 T C -1.354 173.219 174.700 -0.212 0.000 1.008 118 T CA -0.303 61.799 62.100 0.003 0.000 0.997 118 T CB 0.408 69.288 68.868 0.020 0.000 0.992 118 T HN 0.528 nan 8.240 nan 0.000 0.454 119 F N 3.355 123.370 119.950 0.108 0.000 2.493 119 F HA 0.681 5.208 4.527 -0.000 0.000 0.329 119 F C 0.280 176.157 175.800 0.128 0.000 1.126 119 F CA -1.217 56.883 58.000 0.167 0.000 0.937 119 F CB 1.113 40.202 39.000 0.148 0.000 1.146 119 F HN 0.438 nan 8.300 nan 0.000 0.442 120 I N -0.348 120.379 120.570 0.262 0.000 3.174 120 I HA 1.107 5.277 4.170 -0.000 0.000 0.313 120 I C -0.314 175.917 176.117 0.190 0.000 1.155 120 I CA -0.906 60.499 61.300 0.174 0.000 0.977 120 I CB 2.405 40.456 38.000 0.084 0.000 1.248 120 I HN 0.652 nan 8.210 nan 0.000 0.453 121 G N 1.245 110.125 108.800 0.133 0.000 2.554 121 G HA2 0.428 4.388 3.960 -0.000 0.000 0.306 121 G HA3 0.428 4.388 3.960 -0.000 0.000 0.306 121 G C -1.954 172.996 174.900 0.082 0.000 1.320 121 G CA -0.194 44.983 45.100 0.127 0.000 0.800 121 G HN 0.918 nan 8.290 nan 0.000 0.481 122 D N -0.634 119.811 120.400 0.075 0.000 2.440 122 D HA 0.520 5.160 4.640 -0.000 0.000 0.269 122 D C 1.695 178.027 176.300 0.053 0.000 1.249 122 D CA 0.346 54.379 54.000 0.055 0.000 1.055 122 D CB 0.539 41.369 40.800 0.049 0.000 1.104 122 D HN 0.677 nan 8.370 nan 0.000 0.561 123 A N -0.487 122.360 122.820 0.046 0.000 1.972 123 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 123 A C 2.170 179.785 177.584 0.051 0.000 1.169 123 A CA 2.177 54.241 52.037 0.045 0.000 0.635 123 A CB -1.035 17.989 19.000 0.041 0.000 0.810 123 A HN 0.520 nan 8.150 nan 0.000 0.446 124 S N -0.749 114.985 115.700 0.057 0.000 2.345 124 S HA -0.099 4.371 4.470 -0.000 0.000 0.219 124 S C 1.924 176.557 174.600 0.055 0.000 1.031 124 S CA 1.333 59.570 58.200 0.062 0.000 0.984 124 S CB -0.426 62.819 63.200 0.074 0.000 0.874 124 S HN 0.444 nan 8.310 nan 0.000 0.451 125 L N 1.943 123.202 121.223 0.060 0.000 2.131 125 L HA 0.012 4.352 4.340 -0.000 0.000 0.210 125 L C 2.305 179.205 176.870 0.049 0.000 1.092 125 L CA 2.173 57.047 54.840 0.057 0.000 0.759 125 L CB -1.320 40.786 42.059 0.078 0.000 0.903 125 L HN 0.324 nan 8.230 nan 0.000 0.435 126 T N -0.887 113.698 114.554 0.053 0.000 3.007 126 T HA -0.130 4.220 4.350 -0.000 0.000 0.270 126 T C 1.671 176.390 174.700 0.033 0.000 1.107 126 T CA 1.166 63.294 62.100 0.047 0.000 1.118 126 T CB -0.128 68.769 68.868 0.049 0.000 0.889 126 T HN 0.382 nan 8.240 nan 0.000 0.506 127 K N 0.263 120.681 120.400 0.030 0.000 2.361 127 K HA 0.175 4.495 4.320 -0.000 0.000 0.194 127 K C 0.722 177.329 176.600 0.012 0.000 1.032 127 K CA 0.012 56.311 56.287 0.020 0.000 1.048 127 K CB 0.450 32.962 32.500 0.020 0.000 0.842 127 K HN 0.215 nan 8.250 nan 0.000 0.526 128 R N 2.179 122.687 120.500 0.013 0.000 2.490 128 R HA 0.135 4.475 4.340 -0.000 0.000 0.278 128 R C -2.429 173.866 176.300 -0.007 0.000 1.069 128 R CA -1.803 54.300 56.100 0.004 0.000 1.080 128 R CB 0.161 30.465 30.300 0.007 0.000 1.030 128 R HN -0.042 nan 8.270 nan 0.000 0.491 129 P HA 0.007 nan 4.420 nan 0.000 0.271 129 P C -0.263 177.016 177.300 -0.037 0.000 1.226 129 P CA 0.180 63.268 63.100 -0.020 0.000 0.765 129 P CB 0.903 32.594 31.700 -0.016 0.000 0.835 130 M N 2.112 121.684 119.600 -0.046 0.000 2.308 130 M HA 0.123 4.603 4.480 -0.000 0.000 0.269 130 M C 2.036 178.291 176.300 -0.075 0.000 1.040 130 M CA 0.315 55.569 55.300 -0.077 0.000 1.024 130 M CB -0.917 31.623 32.600 -0.099 0.000 1.465 130 M HN 0.429 nan 8.290 nan 0.000 0.517 131 G N 2.288 111.059 108.800 -0.048 0.000 2.475 131 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 131 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 131 G C 1.626 176.503 174.900 -0.038 0.000 1.125 131 G CA 0.985 46.061 45.100 -0.040 0.000 0.755 131 G HN 0.600 nan 8.290 nan 0.000 0.565 132 R N -0.309 120.173 120.500 -0.030 0.000 2.159 132 R HA 0.057 4.397 4.340 -0.000 0.000 0.237 132 R C 1.893 178.161 176.300 -0.054 0.000 1.131 132 R CA 1.399 57.493 56.100 -0.011 0.000 0.982 132 R CB -0.529 29.771 30.300 0.000 0.000 0.868 132 R HN 0.286 nan 8.270 nan 0.000 0.453 133 V N 0.979 120.834 119.914 -0.100 0.000 3.085 133 V HA 0.038 4.158 4.120 -0.000 0.000 0.245 133 V C 2.108 178.099 176.094 -0.173 0.000 1.114 133 V CA 0.485 62.693 62.300 -0.153 0.000 1.108 133 V CB 0.068 31.793 31.823 -0.164 0.000 0.798 133 V HN 0.197 nan 8.190 nan 0.000 0.471 134 L N 0.263 121.401 121.223 -0.141 0.000 2.141 134 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 134 L C 2.345 179.147 176.870 -0.113 0.000 1.094 134 L CA 1.088 55.851 54.840 -0.129 0.000 0.763 134 L CB -0.653 41.345 42.059 -0.102 0.000 0.908 134 L HN 0.358 nan 8.230 nan 0.000 0.437 135 N N 0.116 118.756 118.700 -0.100 0.000 2.058 135 N HA -0.114 4.626 4.740 -0.000 0.000 0.191 135 N C -0.725 174.700 175.510 -0.143 0.000 1.037 135 N CA 1.484 54.488 53.050 -0.075 0.000 0.848 135 N CB -1.376 37.107 38.487 -0.007 0.000 1.021 135 N HN 0.252 nan 8.380 nan 0.000 0.422 136 P HA -0.069 nan 4.420 nan 0.000 0.217 136 P C 1.658 178.804 177.300 -0.256 0.000 1.150 136 P CA 0.914 63.729 63.100 -0.476 0.000 0.832 136 P CB 0.005 31.114 31.700 -0.985 0.000 0.787 137 L N -0.649 120.450 121.223 -0.207 0.000 2.083 137 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 137 L C 2.928 179.740 176.870 -0.097 0.000 1.083 137 L CA 1.449 56.206 54.840 -0.139 0.000 0.752 137 L CB -0.695 41.287 42.059 -0.129 0.000 0.899 137 L HN -0.096 nan 8.230 nan 0.000 0.433 138 R N -0.130 120.319 120.500 -0.086 0.000 2.096 138 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 138 R C 2.190 178.463 176.300 -0.044 0.000 1.127 138 R CA 1.314 57.383 56.100 -0.053 0.000 0.968 138 R CB -0.217 30.059 30.300 -0.040 0.000 0.861 138 R HN 0.386 nan 8.270 nan 0.000 0.440 139 E N 0.621 120.790 120.200 -0.051 0.000 2.150 139 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 139 E C 1.559 178.138 176.600 -0.035 0.000 0.985 139 E CA 0.911 57.294 56.400 -0.029 0.000 0.814 139 E CB 0.131 29.826 29.700 -0.008 0.000 0.752 139 E HN 0.293 nan 8.360 nan 0.000 0.466 140 M N -1.068 118.498 119.600 -0.057 0.000 2.618 140 M HA 0.103 4.583 4.480 -0.000 0.000 0.240 140 M C 1.133 177.404 176.300 -0.048 0.000 1.123 140 M CA 0.865 56.132 55.300 -0.054 0.000 1.060 140 M CB 0.875 33.432 32.600 -0.071 0.000 1.535 140 M HN 0.326 nan 8.290 nan 0.000 0.507 141 G N 0.347 109.121 108.800 -0.042 0.000 2.163 141 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.213 141 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.213 141 G C 0.000 174.879 174.900 -0.035 0.000 0.991 141 G CA -0.419 44.660 45.100 -0.035 0.000 0.653 141 G HN 0.273 nan 8.290 nan 0.000 0.518 142 V N 1.480 121.370 119.914 -0.040 0.000 2.614 142 V HA 0.357 4.477 4.120 -0.000 0.000 0.291 142 V C 0.766 176.847 176.094 -0.021 0.000 1.049 142 V CA -0.004 62.276 62.300 -0.032 0.000 1.038 142 V CB 1.561 33.360 31.823 -0.041 0.000 0.980 142 V HN 0.422 nan 8.190 nan 0.000 0.481 143 Q N 2.852 122.649 119.800 -0.006 0.000 2.274 143 Q HA 0.528 4.868 4.340 -0.000 0.000 0.256 143 Q C -1.087 174.919 176.000 0.010 0.000 0.927 143 Q CA -0.422 55.382 55.803 0.003 0.000 0.939 143 Q CB 2.010 30.755 28.738 0.012 0.000 1.201 143 Q HN 0.588 nan 8.270 nan 0.000 0.426 144 V N 3.303 123.219 119.914 0.004 0.000 2.495 144 V HA 0.380 4.500 4.120 -0.000 0.000 0.298 144 V C -0.471 175.632 176.094 0.015 0.000 1.031 144 V CA -0.802 61.501 62.300 0.005 0.000 0.871 144 V CB 1.748 33.560 31.823 -0.018 0.000 0.988 144 V HN 0.653 nan 8.190 nan 0.000 0.432 145 K N 3.352 123.770 120.400 0.030 0.000 2.450 145 K HA 0.699 5.019 4.320 -0.000 0.000 0.257 145 K C -0.500 176.121 176.600 0.035 0.000 0.953 145 K CA -0.303 56.003 56.287 0.032 0.000 0.844 145 K CB 1.982 34.507 32.500 0.042 0.000 1.103 145 K HN 0.875 nan 8.250 nan 0.000 0.429 146 S N 1.344 117.058 115.700 0.023 0.000 2.661 146 S HA 0.460 4.930 4.470 -0.000 0.000 0.285 146 S C -0.550 174.062 174.600 0.020 0.000 1.138 146 S CA -1.128 57.084 58.200 0.021 0.000 0.855 146 S CB 1.765 64.967 63.200 0.003 0.000 1.136 146 S HN 0.302 nan 8.310 nan 0.000 0.484 147 E N 1.241 121.453 120.200 0.021 0.000 2.349 147 E HA 0.280 4.630 4.350 -0.000 0.000 0.262 147 E C -0.658 175.949 176.600 0.011 0.000 1.088 147 E CA -0.415 55.996 56.400 0.018 0.000 0.899 147 E CB 0.297 30.010 29.700 0.022 0.000 1.044 147 E HN 0.598 nan 8.360 nan 0.000 0.420 148 D N 0.214 120.620 120.400 0.010 0.000 2.583 148 D HA 0.112 4.752 4.640 -0.000 0.000 0.232 148 D C 1.111 177.414 176.300 0.004 0.000 1.128 148 D CA 1.588 55.592 54.000 0.006 0.000 0.859 148 D CB 0.285 41.089 40.800 0.006 0.000 1.169 148 D HN 0.674 nan 8.370 nan 0.000 0.481 149 G N 2.263 111.063 108.800 0.000 0.000 2.141 149 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.242 149 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.242 149 G C 0.178 175.074 174.900 -0.006 0.000 0.982 149 G CA 0.102 45.201 45.100 -0.002 0.000 0.662 149 G HN 0.672 nan 8.290 nan 0.000 0.527 150 D N -1.410 118.986 120.400 -0.007 0.000 2.746 150 D HA -0.125 4.515 4.640 -0.000 0.000 0.241 150 D C 0.747 177.038 176.300 -0.016 0.000 1.140 150 D CA 1.639 55.630 54.000 -0.015 0.000 0.707 150 D CB -0.324 40.462 40.800 -0.024 0.000 1.034 150 D HN 0.758 nan 8.370 nan 0.000 0.423 151 R N -0.458 120.040 120.500 -0.003 0.000 2.873 151 R HA 0.679 5.019 4.340 -0.000 0.000 0.264 151 R C 0.189 176.500 176.300 0.017 0.000 1.026 151 R CA -0.754 55.349 56.100 0.003 0.000 1.002 151 R CB 0.892 31.198 30.300 0.010 0.000 1.174 151 R HN 0.085 nan 8.270 nan 0.000 0.488 152 L N 2.597 123.839 121.223 0.030 0.000 2.473 152 L HA 0.298 4.638 4.340 -0.000 0.000 0.268 152 L C -1.770 175.134 176.870 0.058 0.000 1.215 152 L CA -1.582 53.295 54.840 0.061 0.000 0.823 152 L CB 0.322 42.432 42.059 0.086 0.000 1.099 152 L HN 0.311 nan 8.230 nan 0.000 0.483 153 P HA 0.170 nan 4.420 nan 0.000 0.274 153 P C -1.055 176.306 177.300 0.102 0.000 1.231 153 P CA -0.166 62.994 63.100 0.100 0.000 0.790 153 P CB 1.034 32.785 31.700 0.084 0.000 0.951 154 V N 2.334 122.344 119.914 0.159 0.000 2.709 154 V HA 0.449 4.569 4.120 -0.000 0.000 0.308 154 V C -0.225 176.014 176.094 0.242 0.000 1.062 154 V CA -0.297 62.090 62.300 0.145 0.000 0.901 154 V CB 2.446 34.310 31.823 0.067 0.000 1.003 154 V HN 0.469 nan 8.190 nan 0.000 0.425 155 T N 5.950 120.608 114.554 0.172 0.000 2.812 155 T HA 0.695 5.045 4.350 -0.000 0.000 0.282 155 T C -0.601 174.198 174.700 0.165 0.000 0.990 155 T CA -0.316 61.901 62.100 0.194 0.000 0.960 155 T CB 1.009 69.951 68.868 0.123 0.000 0.948 155 T HN 0.348 nan 8.240 nan 0.000 0.438 156 L N 2.603 123.959 121.223 0.222 0.000 2.330 156 L HA 0.849 5.189 4.340 -0.000 0.000 0.271 156 L C -0.123 176.829 176.870 0.137 0.000 1.013 156 L CA -1.248 53.683 54.840 0.152 0.000 0.816 156 L CB 1.670 43.834 42.059 0.174 0.000 1.287 156 L HN 0.368 nan 8.230 nan 0.000 0.435 157 R N 0.930 121.477 120.500 0.078 0.000 2.531 157 R HA 0.505 4.845 4.340 -0.000 0.000 0.293 157 R C -0.677 175.631 176.300 0.013 0.000 1.124 157 R CA -0.362 55.773 56.100 0.059 0.000 0.945 157 R CB 1.389 31.725 30.300 0.061 0.000 1.195 157 R HN 0.708 nan 8.270 nan 0.000 0.433 158 G N 4.192 112.975 108.800 -0.027 0.000 2.539 158 G HA2 0.435 4.395 3.960 -0.000 0.000 0.258 158 G HA3 0.435 4.395 3.960 -0.000 0.000 0.258 158 G C -2.281 172.588 174.900 -0.052 0.000 1.202 158 G CA -1.068 43.999 45.100 -0.055 0.000 0.851 158 G HN 0.551 nan 8.290 nan 0.000 0.556 159 P HA 0.170 nan 4.420 nan 0.000 0.276 159 P C 0.447 177.712 177.300 -0.058 0.000 1.261 159 P CA -0.534 62.540 63.100 -0.044 0.000 0.800 159 P CB 1.746 33.420 31.700 -0.043 0.000 1.066 160 K N -0.273 120.101 120.400 -0.042 0.000 2.057 160 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 160 K C -0.023 176.537 176.600 -0.067 0.000 1.049 160 K CA 1.305 57.565 56.287 -0.046 0.000 0.931 160 K CB -0.204 32.280 32.500 -0.026 0.000 0.714 160 K HN 0.418 nan 8.250 nan 0.000 0.440 161 T N 3.246 117.763 114.554 -0.061 0.000 2.930 161 T HA 0.341 4.691 4.350 -0.000 0.000 0.313 161 T C -2.686 171.974 174.700 -0.067 0.000 1.019 161 T CA -1.520 60.539 62.100 -0.067 0.000 1.004 161 T CB 1.922 70.761 68.868 -0.049 0.000 0.987 161 T HN 0.055 nan 8.240 nan 0.000 0.456 162 P HA 0.344 nan 4.420 nan 0.000 0.272 162 P C -0.436 176.829 177.300 -0.057 0.000 1.240 162 P CA -0.433 62.623 63.100 -0.074 0.000 0.791 162 P CB 0.425 32.069 31.700 -0.093 0.000 0.978 163 T N 3.214 117.739 114.554 -0.047 0.000 2.749 163 T HA 0.378 4.728 4.350 -0.000 0.000 0.287 163 T C -2.297 172.383 174.700 -0.033 0.000 0.970 163 T CA -1.329 60.749 62.100 -0.035 0.000 0.980 163 T CB 0.563 69.415 68.868 -0.027 0.000 0.924 163 T HN 0.344 nan 8.240 nan 0.000 0.456 164 P HA 0.398 nan 4.420 nan 0.000 0.275 164 P C -0.551 176.744 177.300 -0.008 0.000 1.228 164 P CA -0.477 62.610 63.100 -0.022 0.000 0.786 164 P CB 0.775 32.463 31.700 -0.020 0.000 0.927 165 I N -1.810 118.761 120.570 0.002 0.000 3.145 165 I HA 0.625 4.795 4.170 -0.000 0.000 0.313 165 I C -0.864 175.283 176.117 0.050 0.000 1.122 165 I CA -0.972 60.346 61.300 0.029 0.000 0.987 165 I CB 2.315 40.340 38.000 0.042 0.000 1.236 165 I HN 0.026 nan 8.210 nan 0.000 0.453 166 T N 2.265 116.862 114.554 0.071 0.000 2.791 166 T HA 0.403 4.753 4.350 -0.000 0.000 0.288 166 T C -1.456 173.320 174.700 0.126 0.000 0.999 166 T CA -0.119 62.023 62.100 0.070 0.000 0.952 166 T CB 0.262 69.149 68.868 0.031 0.000 0.938 166 T HN 0.503 nan 8.240 nan 0.000 0.444 167 Y N 3.027 123.318 120.300 -0.016 0.000 2.331 167 Y HA 0.513 5.063 4.550 -0.000 0.000 0.334 167 Y C 0.129 176.020 175.900 -0.015 0.000 0.960 167 Y CA -1.196 56.894 58.100 -0.016 0.000 1.130 167 Y CB 0.988 39.437 38.460 -0.019 0.000 1.164 167 Y HN 0.467 nan 8.280 nan 0.000 0.458 168 R N 5.725 125.929 120.500 -0.494 0.000 2.196 168 R HA 0.452 4.792 4.340 -0.000 0.000 0.340 168 R C -1.392 174.613 176.300 -0.492 0.000 1.043 168 R CA -0.487 55.405 56.100 -0.346 0.000 0.883 168 R CB 0.498 30.644 30.300 -0.256 0.000 1.078 168 R HN 0.578 nan 8.270 nan 0.000 0.462 169 V N 8.195 127.995 119.914 -0.190 0.000 2.485 169 V HA 0.072 4.192 4.120 -0.000 0.000 0.287 169 V C -1.039 175.005 176.094 -0.085 0.000 1.022 169 V CA -0.968 61.299 62.300 -0.055 0.000 1.067 169 V CB 1.124 32.984 31.823 0.061 0.000 0.967 169 V HN 0.856 nan 8.190 nan 0.000 0.479 170 P HA 0.002 nan 4.420 nan 0.000 0.225 170 P C 0.184 177.471 177.300 -0.023 0.000 1.156 170 P CA 0.931 63.998 63.100 -0.056 0.000 0.787 170 P CB 0.401 32.072 31.700 -0.048 0.000 0.802 171 M N -1.979 117.621 119.600 -0.001 0.000 2.690 171 M HA 0.659 5.139 4.480 -0.000 0.000 0.302 171 M C -0.878 175.426 176.300 0.007 0.000 1.234 171 M CA -1.467 53.833 55.300 0.001 0.000 0.853 171 M CB 1.151 33.754 32.600 0.005 0.000 1.748 171 M HN -0.248 nan 8.290 nan 0.000 0.469 172 A N 2.018 124.842 122.820 0.007 0.000 3.048 172 A HA 0.428 4.748 4.320 -0.000 0.000 0.264 172 A C 0.130 177.725 177.584 0.018 0.000 1.796 172 A CA -0.053 51.991 52.037 0.012 0.000 1.445 172 A CB -1.179 17.828 19.000 0.013 0.000 1.074 172 A HN 0.756 nan 8.150 nan 0.000 0.621 173 S N 0.885 116.598 115.700 0.021 0.000 2.474 173 S HA 0.533 5.003 4.470 -0.000 0.000 0.321 173 S C 1.078 175.692 174.600 0.022 0.000 1.080 173 S CA 0.001 58.214 58.200 0.022 0.000 1.106 173 S CB 1.065 64.278 63.200 0.020 0.000 0.984 173 S HN 0.910 nan 8.310 nan 0.000 0.464 174 A N 4.418 127.250 122.820 0.020 0.000 2.014 174 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 174 A C 1.970 179.566 177.584 0.019 0.000 1.163 174 A CA 0.952 53.001 52.037 0.020 0.000 0.652 174 A CB -0.412 18.601 19.000 0.022 0.000 0.808 174 A HN 0.883 nan 8.150 nan 0.000 0.449 175 Q N -0.498 119.306 119.800 0.006 0.000 2.119 175 Q HA -0.094 4.246 4.340 -0.000 0.000 0.201 175 Q C 2.078 178.064 176.000 -0.023 0.000 0.972 175 Q CA 1.534 57.326 55.803 -0.019 0.000 0.847 175 Q CB -0.242 28.471 28.738 -0.042 0.000 0.903 175 Q HN 0.507 nan 8.270 nan 0.000 0.433 176 V N 1.429 121.338 119.914 -0.007 0.000 2.358 176 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 176 V C 2.304 178.406 176.094 0.013 0.000 1.047 176 V CA 1.921 64.219 62.300 -0.004 0.000 1.035 176 V CB -0.540 31.309 31.823 0.043 0.000 0.658 176 V HN 0.346 nan 8.190 nan 0.000 0.452 177 K N 0.287 120.710 120.400 0.038 0.000 2.032 177 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 177 K C 2.274 178.893 176.600 0.030 0.000 1.048 177 K CA 2.128 58.443 56.287 0.047 0.000 0.927 177 K CB -0.268 32.257 32.500 0.041 0.000 0.712 177 K HN 0.430 nan 8.250 nan 0.000 0.441 178 S N 0.535 116.252 115.700 0.029 0.000 2.368 178 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 178 S C 2.064 176.678 174.600 0.024 0.000 1.029 178 S CA 1.086 59.314 58.200 0.045 0.000 0.988 178 S CB -0.296 62.938 63.200 0.056 0.000 0.838 178 S HN 0.555 nan 8.310 nan 0.000 0.462 179 A N 1.148 123.957 122.820 -0.017 0.000 1.902 179 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 179 A C 2.328 179.880 177.584 -0.052 0.000 1.181 179 A CA 1.539 53.547 52.037 -0.047 0.000 0.623 179 A CB -0.878 18.063 19.000 -0.099 0.000 0.818 179 A HN 0.348 nan 8.150 nan 0.000 0.443 180 V N 0.055 119.932 119.914 -0.062 0.000 2.358 180 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 180 V C 2.547 178.623 176.094 -0.031 0.000 1.047 180 V CA 1.854 64.110 62.300 -0.072 0.000 1.035 180 V CB -0.768 31.011 31.823 -0.073 0.000 0.658 180 V HN 0.561 nan 8.190 nan 0.000 0.452 181 L N -0.682 120.537 121.223 -0.007 0.000 2.046 181 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 181 L C 2.389 179.251 176.870 -0.013 0.000 1.077 181 L CA 1.454 56.290 54.840 -0.007 0.000 0.747 181 L CB -0.510 41.552 42.059 0.004 0.000 0.896 181 L HN 0.302 nan 8.230 nan 0.000 0.432 182 L N -0.565 120.664 121.223 0.010 0.000 2.141 182 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 182 L C 2.854 179.738 176.870 0.024 0.000 1.094 182 L CA 0.978 55.836 54.840 0.029 0.000 0.763 182 L CB -0.773 41.342 42.059 0.092 0.000 0.908 182 L HN 0.242 nan 8.230 nan 0.000 0.437 183 A N 0.547 123.368 122.820 0.002 0.000 1.930 183 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 183 A C 2.386 179.954 177.584 -0.027 0.000 1.175 183 A CA 1.531 53.563 52.037 -0.009 0.000 0.627 183 A CB -1.090 17.885 19.000 -0.043 0.000 0.815 183 A HN 0.429 nan 8.150 nan 0.000 0.443 184 G N -0.169 108.612 108.800 -0.031 0.000 2.470 184 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.220 184 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.220 184 G C 1.435 176.311 174.900 -0.041 0.000 1.121 184 G CA 0.928 46.006 45.100 -0.037 0.000 0.766 184 G HN 0.460 nan 8.290 nan 0.000 0.553 185 L N -0.050 121.153 121.223 -0.033 0.000 2.131 185 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 185 L C 2.030 178.875 176.870 -0.042 0.000 1.092 185 L CA 0.954 55.774 54.840 -0.034 0.000 0.759 185 L CB -0.129 41.916 42.059 -0.023 0.000 0.903 185 L HN 0.184 nan 8.230 nan 0.000 0.435 186 N N -0.996 117.663 118.700 -0.070 0.000 2.275 186 N HA 0.041 4.781 4.740 -0.000 0.000 0.236 186 N C -0.665 174.742 175.510 -0.170 0.000 1.154 186 N CA 0.043 52.990 53.050 -0.170 0.000 0.866 186 N CB 0.422 38.678 38.487 -0.386 0.000 1.093 186 N HN -0.054 nan 8.380 nan 0.000 0.515 187 T N 2.056 116.546 114.554 -0.106 0.000 2.807 187 T HA 0.416 4.766 4.350 -0.000 0.000 0.279 187 T C -2.811 171.849 174.700 -0.066 0.000 0.993 187 T CA -1.341 60.706 62.100 -0.089 0.000 0.970 187 T CB 2.200 71.026 68.868 -0.070 0.000 0.950 187 T HN 0.067 nan 8.240 nan 0.000 0.441 188 P HA 0.495 nan 4.420 nan 0.000 0.275 188 P C 0.420 177.699 177.300 -0.034 0.000 1.227 188 P CA 0.402 63.475 63.100 -0.045 0.000 0.781 188 P CB 0.908 32.582 31.700 -0.043 0.000 0.906 189 G N 2.655 111.439 108.800 -0.027 0.000 2.526 189 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.250 189 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.250 189 G C -1.340 173.549 174.900 -0.018 0.000 1.289 189 G CA -0.785 44.303 45.100 -0.020 0.000 0.947 189 G HN 0.472 nan 8.290 nan 0.000 0.517 190 I N 1.285 121.847 120.570 -0.013 0.000 2.321 190 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 190 I C 0.761 176.874 176.117 -0.007 0.000 0.998 190 I CA -0.385 60.909 61.300 -0.010 0.000 1.227 190 I CB 0.572 38.569 38.000 -0.006 0.000 1.368 190 I HN 0.466 nan 8.210 nan 0.000 0.466 191 T N 5.583 120.133 114.554 -0.008 0.000 2.799 191 T HA 0.465 4.815 4.350 -0.000 0.000 0.286 191 T C 0.267 174.972 174.700 0.008 0.000 0.973 191 T CA -0.155 61.944 62.100 -0.002 0.000 1.035 191 T CB 0.927 69.789 68.868 -0.011 0.000 0.932 191 T HN 0.545 nan 8.240 nan 0.000 0.469 192 T N 2.904 117.471 114.554 0.023 0.000 2.848 192 T HA 0.541 4.890 4.350 -0.000 0.000 0.285 192 T C -0.585 174.146 174.700 0.051 0.000 0.995 192 T CA -0.510 61.606 62.100 0.027 0.000 0.970 192 T CB 1.350 70.230 68.868 0.020 0.000 0.976 192 T HN 0.304 nan 8.240 nan 0.000 0.441 193 V N 4.580 124.522 119.914 0.046 0.000 2.495 193 V HA 0.529 4.649 4.120 -0.000 0.000 0.298 193 V C -0.337 175.778 176.094 0.035 0.000 1.031 193 V CA -0.800 61.541 62.300 0.068 0.000 0.871 193 V CB 1.601 33.465 31.823 0.069 0.000 0.988 193 V HN 0.793 nan 8.190 nan 0.000 0.432 194 I N 4.178 124.759 120.570 0.019 0.000 2.339 194 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 194 I C -0.005 176.104 176.117 -0.014 0.000 0.994 194 I CA -0.265 61.030 61.300 -0.009 0.000 1.191 194 I CB 1.617 39.598 38.000 -0.033 0.000 1.343 194 I HN 0.699 nan 8.210 nan 0.000 0.458 195 E N 9.347 129.542 120.200 -0.008 0.000 2.102 195 E HA 0.345 4.695 4.350 -0.000 0.000 0.263 195 E C -2.031 174.560 176.600 -0.015 0.000 0.894 195 E CA -1.839 54.557 56.400 -0.007 0.000 0.746 195 E CB 1.496 31.198 29.700 0.003 0.000 1.129 195 E HN 0.301 nan 8.360 nan 0.000 0.416 196 P HA -0.010 nan 4.420 nan 0.000 0.221 196 P C -0.071 177.221 177.300 -0.014 0.000 1.150 196 P CA 0.608 63.695 63.100 -0.021 0.000 0.800 196 P CB 0.427 32.110 31.700 -0.030 0.000 0.787 197 I N -0.478 120.086 120.570 -0.010 0.000 2.478 197 I HA 0.305 4.475 4.170 -0.000 0.000 0.287 197 I C 0.330 176.444 176.117 -0.004 0.000 1.042 197 I CA -1.059 60.238 61.300 -0.006 0.000 1.067 197 I CB 1.891 39.890 38.000 -0.002 0.000 1.233 197 I HN -0.212 nan 8.210 nan 0.000 0.431 198 M N 5.702 125.298 119.600 -0.006 0.000 2.248 198 M HA 0.238 4.718 4.480 -0.000 0.000 0.345 198 M C 0.023 176.316 176.300 -0.010 0.000 1.243 198 M CA 0.709 56.003 55.300 -0.010 0.000 1.090 198 M CB 0.343 32.935 32.600 -0.014 0.000 1.683 198 M HN 0.874 nan 8.290 nan 0.000 0.450 199 T N 2.586 117.130 114.554 -0.016 0.000 2.888 199 T HA 0.547 4.897 4.350 -0.000 0.000 0.288 199 T C -0.491 174.176 174.700 -0.055 0.000 1.063 199 T CA -1.292 60.797 62.100 -0.018 0.000 1.010 199 T CB 0.937 69.804 68.868 -0.003 0.000 1.214 199 T HN 0.852 nan 8.240 nan 0.000 0.533 200 R N 0.783 121.240 120.500 -0.072 0.000 2.566 200 R HA 0.089 4.429 4.340 -0.000 0.000 0.273 200 R C -0.607 175.549 176.300 -0.240 0.000 0.981 200 R CA 0.181 56.160 56.100 -0.200 0.000 1.091 200 R CB -0.245 29.954 30.300 -0.169 0.000 0.924 200 R HN 0.798 nan 8.270 nan 0.000 0.411 201 D N 1.600 121.788 120.400 -0.352 0.000 2.525 201 D HA 0.007 4.647 4.640 -0.000 0.000 0.229 201 D C 0.429 176.647 176.300 -0.138 0.000 1.202 201 D CA -0.307 53.581 54.000 -0.187 0.000 0.828 201 D CB -0.143 40.596 40.800 -0.102 0.000 1.008 201 D HN 0.600 nan 8.370 nan 0.000 0.493 202 H N 0.568 119.679 119.070 0.068 0.000 2.387 202 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 202 H C 1.423 176.845 175.328 0.157 0.000 1.099 202 H CA 1.750 57.853 56.048 0.092 0.000 1.315 202 H CB -0.551 29.249 29.762 0.062 0.000 1.380 202 H HN 0.200 nan 8.280 nan 0.000 0.513 203 T N 1.256 115.961 114.554 0.252 0.000 2.674 203 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 203 T C 1.955 176.773 174.700 0.197 0.000 1.039 203 T CA 1.631 63.914 62.100 0.306 0.000 1.150 203 T CB -0.070 68.935 68.868 0.228 0.000 0.864 203 T HN 0.392 nan 8.240 nan 0.000 0.427 204 E N 1.251 121.518 120.200 0.111 0.000 2.058 204 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 204 E C 2.270 178.922 176.600 0.087 0.000 0.997 204 E CA 1.162 57.602 56.400 0.067 0.000 0.801 204 E CB -0.147 29.576 29.700 0.038 0.000 0.746 204 E HN 0.432 nan 8.360 nan 0.000 0.450 205 K N -0.016 120.451 120.400 0.112 0.000 2.057 205 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 205 K C 2.213 178.922 176.600 0.183 0.000 1.049 205 K CA 1.510 57.873 56.287 0.127 0.000 0.931 205 K CB -0.147 32.431 32.500 0.131 0.000 0.714 205 K HN 0.127 nan 8.250 nan 0.000 0.440 206 M N 0.610 120.371 119.600 0.268 0.000 2.132 206 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 206 M C 2.122 178.630 176.300 0.348 0.000 1.065 206 M CA 1.385 56.925 55.300 0.400 0.000 1.122 206 M CB -0.237 32.702 32.600 0.564 0.000 1.365 206 M HN 0.103 nan 8.290 nan 0.000 0.411 207 L N -0.136 121.145 121.223 0.097 0.000 2.083 207 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 207 L C 2.514 179.420 176.870 0.061 0.000 1.083 207 L CA 1.395 56.177 54.840 -0.095 0.000 0.752 207 L CB -0.625 41.299 42.059 -0.226 0.000 0.899 207 L HN 0.410 nan 8.230 nan 0.000 0.433 208 Q N -0.435 119.412 119.800 0.080 0.000 2.124 208 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 208 Q C 2.275 178.334 176.000 0.098 0.000 0.977 208 Q CA 1.413 57.259 55.803 0.072 0.000 0.850 208 Q CB -0.361 28.411 28.738 0.058 0.000 0.901 208 Q HN 0.604 nan 8.270 nan 0.000 0.429 209 G N -0.303 108.585 108.800 0.147 0.000 2.443 209 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 209 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 209 G C 0.831 175.760 174.900 0.047 0.000 1.131 209 G CA 0.253 45.414 45.100 0.101 0.000 0.775 209 G HN 0.228 nan 8.290 nan 0.000 0.547 210 F N 0.655 120.621 119.950 0.028 0.000 2.797 210 F HA 0.325 4.852 4.527 -0.000 0.000 0.302 210 F C 2.012 177.811 175.800 -0.001 0.000 1.130 210 F CA 0.504 58.516 58.000 0.021 0.000 1.387 210 F CB 0.539 39.540 39.000 0.002 0.000 1.107 210 F HN 0.266 nan 8.300 nan 0.000 0.577 211 G N -0.132 108.742 108.800 0.122 0.000 2.176 211 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.232 211 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.232 211 G C 0.399 175.329 174.900 0.050 0.000 0.986 211 G CA -0.232 44.909 45.100 0.068 0.000 0.643 211 G HN 0.584 nan 8.290 nan 0.000 0.522 212 A N -0.026 122.820 122.820 0.044 0.000 2.445 212 A HA 0.561 4.881 4.320 -0.000 0.000 0.242 212 A C 0.632 178.219 177.584 0.006 0.000 1.075 212 A CA 0.477 52.517 52.037 0.006 0.000 0.777 212 A CB 0.297 19.274 19.000 -0.038 0.000 1.013 212 A HN 0.742 nan 8.150 nan 0.000 0.493 213 N N 1.538 120.238 118.700 -0.001 0.000 2.739 213 N HA 0.278 5.018 4.740 -0.000 0.000 0.266 213 N C -1.133 174.375 175.510 -0.004 0.000 1.168 213 N CA 0.167 53.218 53.050 0.001 0.000 1.055 213 N CB -0.448 38.038 38.487 -0.001 0.000 1.393 213 N HN 0.579 nan 8.380 nan 0.000 0.514 214 L N 2.219 123.441 121.223 -0.001 0.000 2.381 214 L HA 0.619 4.959 4.340 -0.000 0.000 0.274 214 L C -0.476 176.397 176.870 0.004 0.000 0.988 214 L CA -0.446 54.393 54.840 -0.003 0.000 0.824 214 L CB 1.659 43.713 42.059 -0.008 0.000 1.263 214 L HN 0.400 nan 8.230 nan 0.000 0.410 215 T N 1.453 116.009 114.554 0.004 0.000 2.908 215 T HA 0.770 5.120 4.350 -0.000 0.000 0.290 215 T C -0.799 173.905 174.700 0.006 0.000 1.034 215 T CA -0.758 61.346 62.100 0.006 0.000 1.010 215 T CB 1.982 70.852 68.868 0.004 0.000 1.068 215 T HN 0.283 nan 8.240 nan 0.000 0.481 216 V N 1.622 121.540 119.914 0.007 0.000 2.531 216 V HA 0.579 4.699 4.120 -0.000 0.000 0.301 216 V C -0.385 175.711 176.094 0.003 0.000 1.034 216 V CA -0.719 61.584 62.300 0.005 0.000 0.865 216 V CB 1.487 33.314 31.823 0.006 0.000 0.995 216 V HN 1.062 nan 8.190 nan 0.000 0.424 217 E N 2.340 122.541 120.200 0.002 0.000 2.210 217 E HA 0.617 4.967 4.350 -0.000 0.000 0.266 217 E C -1.134 175.465 176.600 -0.001 0.000 0.883 217 E CA -0.441 55.959 56.400 0.000 0.000 0.761 217 E CB 1.832 31.532 29.700 -0.000 0.000 1.156 217 E HN 0.690 nan 8.360 nan 0.000 0.412 218 T N 3.708 118.260 114.554 -0.002 0.000 2.792 218 T HA 0.154 4.504 4.350 -0.000 0.000 0.280 218 T C -0.554 174.144 174.700 -0.004 0.000 0.990 218 T CA -0.763 61.335 62.100 -0.003 0.000 0.960 218 T CB 1.146 70.012 68.868 -0.003 0.000 0.939 218 T HN 0.458 nan 8.240 nan 0.000 0.439 219 D N 1.817 122.214 120.400 -0.005 0.000 2.360 219 D HA 0.229 4.869 4.640 -0.000 0.000 0.242 219 D C 1.286 177.583 176.300 -0.005 0.000 1.184 219 D CA -0.381 53.616 54.000 -0.006 0.000 0.930 219 D CB 1.364 42.159 40.800 -0.007 0.000 1.161 219 D HN 0.534 nan 8.370 nan 0.000 0.447 220 A N 2.185 125.002 122.820 -0.005 0.000 2.070 220 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 220 A C 1.361 178.942 177.584 -0.005 0.000 1.159 220 A CA 1.748 53.783 52.037 -0.004 0.000 0.656 220 A CB -0.300 18.698 19.000 -0.004 0.000 0.800 220 A HN 0.690 nan 8.150 nan 0.000 0.453 221 D N -2.343 118.054 120.400 -0.006 0.000 2.336 221 D HA 0.275 4.915 4.640 -0.000 0.000 0.229 221 D C 1.170 177.466 176.300 -0.007 0.000 1.061 221 D CA 0.949 54.945 54.000 -0.007 0.000 0.875 221 D CB -0.494 40.301 40.800 -0.008 0.000 0.904 221 D HN 0.708 nan 8.370 nan 0.000 0.525 222 G N -0.629 108.167 108.800 -0.007 0.000 2.217 222 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 222 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 222 G C 0.246 175.141 174.900 -0.008 0.000 0.990 222 G CA 0.094 45.190 45.100 -0.007 0.000 0.627 222 G HN 0.391 nan 8.290 nan 0.000 0.522 223 V N 1.803 121.712 119.914 -0.010 0.000 2.585 223 V HA 0.371 4.491 4.120 -0.000 0.000 0.296 223 V C 1.058 177.146 176.094 -0.009 0.000 1.035 223 V CA 0.349 62.642 62.300 -0.011 0.000 1.084 223 V CB 0.961 32.776 31.823 -0.015 0.000 0.953 223 V HN 0.417 nan 8.190 nan 0.000 0.483 224 R N 2.736 123.231 120.500 -0.008 0.000 2.393 224 R HA 0.546 4.886 4.340 -0.000 0.000 0.310 224 R C -0.468 175.830 176.300 -0.004 0.000 0.968 224 R CA -0.378 55.719 56.100 -0.005 0.000 0.867 224 R CB 1.496 31.794 30.300 -0.004 0.000 1.124 224 R HN 0.685 nan 8.270 nan 0.000 0.450 225 T N 4.456 119.009 114.554 -0.002 0.000 2.788 225 T HA 0.436 4.786 4.350 -0.000 0.000 0.296 225 T C -0.088 174.614 174.700 0.004 0.000 1.009 225 T CA -0.460 61.640 62.100 -0.000 0.000 0.949 225 T CB 0.456 69.322 68.868 -0.002 0.000 0.946 225 T HN 0.336 nan 8.240 nan 0.000 0.453 226 I N 3.807 124.382 120.570 0.008 0.000 2.355 226 I HA 0.461 4.631 4.170 -0.000 0.000 0.288 226 I C 0.341 176.464 176.117 0.009 0.000 0.999 226 I CA -0.741 60.565 61.300 0.009 0.000 1.163 226 I CB 1.340 39.347 38.000 0.013 0.000 1.316 226 I HN 0.271 nan 8.210 nan 0.000 0.454 227 R N 5.449 125.952 120.500 0.005 0.000 2.514 227 R HA 0.728 5.068 4.340 -0.000 0.000 0.301 227 R C -1.361 174.938 176.300 -0.002 0.000 0.962 227 R CA -0.905 55.197 56.100 0.002 0.000 0.882 227 R CB 2.353 32.654 30.300 0.001 0.000 1.143 227 R HN 0.400 nan 8.270 nan 0.000 0.452 228 L N 1.450 122.669 121.223 -0.006 0.000 2.410 228 L HA 0.372 4.712 4.340 -0.000 0.000 0.270 228 L C -0.831 176.030 176.870 -0.015 0.000 0.983 228 L CA -0.347 54.485 54.840 -0.014 0.000 0.822 228 L CB 2.007 44.053 42.059 -0.021 0.000 1.285 228 L HN 0.616 nan 8.230 nan 0.000 0.409 229 E N 3.141 123.332 120.200 -0.015 0.000 2.194 229 E HA 0.540 4.889 4.350 -0.000 0.000 0.284 229 E C -0.068 176.519 176.600 -0.022 0.000 1.035 229 E CA -0.425 55.965 56.400 -0.016 0.000 0.836 229 E CB 0.962 30.655 29.700 -0.011 0.000 1.070 229 E HN 0.905 nan 8.360 nan 0.000 0.401 230 G N 3.107 111.891 108.800 -0.026 0.000 2.572 230 G HA2 0.140 4.100 3.960 -0.000 0.000 0.261 230 G HA3 0.140 4.100 3.960 -0.000 0.000 0.261 230 G C -0.282 174.599 174.900 -0.032 0.000 1.197 230 G CA -0.523 44.556 45.100 -0.034 0.000 0.870 230 G HN 0.887 nan 8.290 nan 0.000 0.548 231 R N -1.342 119.136 120.500 -0.037 0.000 3.641 231 R HA -0.160 4.180 4.340 -0.000 0.000 0.286 231 R C 0.819 177.111 176.300 -0.014 0.000 1.153 231 R CA 0.402 56.483 56.100 -0.032 0.000 0.775 231 R CB -1.869 28.407 30.300 -0.041 0.000 1.215 231 R HN 0.850 nan 8.270 nan 0.000 0.474 232 G N 0.633 109.427 108.800 -0.010 0.000 2.462 232 G HA2 0.390 4.350 3.960 -0.000 0.000 0.319 232 G HA3 0.390 4.350 3.960 -0.000 0.000 0.319 232 G C -0.564 174.344 174.900 0.014 0.000 1.171 232 G CA -0.736 44.365 45.100 0.001 0.000 0.920 232 G HN 0.084 nan 8.290 nan 0.000 0.499 233 K N 0.039 120.453 120.400 0.023 0.000 2.326 233 K HA 0.368 4.688 4.320 -0.000 0.000 0.275 233 K C -0.575 176.058 176.600 0.055 0.000 1.018 233 K CA -0.171 56.140 56.287 0.040 0.000 0.962 233 K CB 0.364 32.888 32.500 0.040 0.000 0.953 233 K HN 0.281 nan 8.250 nan 0.000 0.475 234 L N 2.879 124.152 121.223 0.083 0.000 2.365 234 L HA 0.373 4.713 4.340 -0.000 0.000 0.273 234 L C -0.570 176.407 176.870 0.179 0.000 1.000 234 L CA -0.831 54.094 54.840 0.143 0.000 0.819 234 L CB 2.348 44.485 42.059 0.129 0.000 1.284 234 L HN 0.692 nan 8.230 nan 0.000 0.418 235 T N 1.093 115.767 114.554 0.199 0.000 2.807 235 T HA 0.412 4.762 4.350 -0.000 0.000 0.279 235 T C 0.367 175.125 174.700 0.096 0.000 0.993 235 T CA -0.557 61.616 62.100 0.122 0.000 0.970 235 T CB 1.745 70.637 68.868 0.040 0.000 0.950 235 T HN 0.737 nan 8.240 nan 0.000 0.441 236 G N 2.748 111.613 108.800 0.109 0.000 2.474 236 G HA2 0.366 4.326 3.960 -0.000 0.000 0.233 236 G HA3 0.366 4.326 3.960 -0.000 0.000 0.233 236 G C -0.421 174.378 174.900 -0.169 0.000 1.278 236 G CA -0.159 44.985 45.100 0.072 0.000 0.861 236 G HN 0.505 nan 8.290 nan 0.000 0.567 237 Q N -0.319 119.296 119.800 -0.308 0.000 2.528 237 Q HA 0.462 4.802 4.340 -0.000 0.000 0.289 237 Q C -0.822 175.099 176.000 -0.131 0.000 1.091 237 Q CA -0.898 54.696 55.803 -0.347 0.000 0.797 237 Q CB 2.245 30.535 28.738 -0.747 0.000 1.466 237 Q HN 0.326 nan 8.270 nan 0.000 0.436 238 V N 2.031 121.890 119.914 -0.093 0.000 2.407 238 V HA 0.454 4.574 4.120 -0.000 0.000 0.278 238 V C -0.040 176.050 176.094 -0.007 0.000 1.037 238 V CA -0.283 62.006 62.300 -0.018 0.000 0.900 238 V CB 0.859 32.676 31.823 -0.011 0.000 0.983 238 V HN 0.506 nan 8.190 nan 0.000 0.459 239 I N 3.929 124.523 120.570 0.040 0.000 2.465 239 I HA 0.439 4.609 4.170 -0.000 0.000 0.291 239 I C -0.984 175.160 176.117 0.046 0.000 1.014 239 I CA -0.469 60.865 61.300 0.057 0.000 1.093 239 I CB 2.203 40.269 38.000 0.109 0.000 1.267 239 I HN 0.524 nan 8.210 nan 0.000 0.431 240 D N 5.777 126.196 120.400 0.031 0.000 2.462 240 D HA 0.330 4.970 4.640 -0.000 0.000 0.245 240 D C -0.858 175.445 176.300 0.005 0.000 1.122 240 D CA -0.285 53.727 54.000 0.020 0.000 0.864 240 D CB 1.619 42.429 40.800 0.017 0.000 1.098 240 D HN 0.074 nan 8.370 nan 0.000 0.541 241 V N 6.660 126.567 119.914 -0.012 0.000 2.508 241 V HA 0.317 4.437 4.120 -0.000 0.000 0.281 241 V C -1.484 174.583 176.094 -0.045 0.000 1.041 241 V CA -0.967 61.306 62.300 -0.046 0.000 1.016 241 V CB 0.824 32.596 31.823 -0.085 0.000 0.984 241 V HN 0.564 nan 8.190 nan 0.000 0.478 242 P HA 0.257 nan 4.420 nan 0.000 0.276 242 P C 0.127 177.390 177.300 -0.063 0.000 1.261 242 P CA -0.200 62.874 63.100 -0.042 0.000 0.800 242 P CB 0.932 32.614 31.700 -0.029 0.000 1.066 243 G N 0.394 109.162 108.800 -0.054 0.000 2.491 243 G HA2 0.034 3.994 3.960 -0.000 0.000 0.242 243 G HA3 0.034 3.994 3.960 -0.000 0.000 0.242 243 G C -0.176 174.672 174.900 -0.086 0.000 1.266 243 G CA -0.167 44.889 45.100 -0.073 0.000 0.844 243 G HN 0.491 nan 8.290 nan 0.000 0.571 244 D N 2.457 122.786 120.400 -0.119 0.000 2.358 244 D HA 0.087 4.727 4.640 -0.000 0.000 0.258 244 D C -0.974 175.271 176.300 -0.092 0.000 1.223 244 D CA -1.673 52.258 54.000 -0.115 0.000 0.886 244 D CB 1.848 42.556 40.800 -0.153 0.000 1.120 244 D HN 0.098 nan 8.370 nan 0.000 0.482 245 P HA -0.048 nan 4.420 nan 0.000 0.225 245 P C 1.150 178.405 177.300 -0.076 0.000 1.156 245 P CA 0.361 63.427 63.100 -0.057 0.000 0.787 245 P CB 0.508 32.188 31.700 -0.033 0.000 0.802 246 S N -0.159 115.507 115.700 -0.057 0.000 2.387 246 S HA -0.040 4.430 4.470 -0.000 0.000 0.226 246 S C 2.143 176.712 174.600 -0.052 0.000 1.026 246 S CA 1.193 59.355 58.200 -0.064 0.000 0.972 246 S CB -0.610 62.601 63.200 0.019 0.000 0.814 246 S HN 0.213 nan 8.310 nan 0.000 0.477 247 S N 1.180 116.875 115.700 -0.009 0.000 2.387 247 S HA -0.060 4.410 4.470 -0.000 0.000 0.226 247 S C 2.051 176.721 174.600 0.117 0.000 1.026 247 S CA 1.129 59.363 58.200 0.056 0.000 0.972 247 S CB -0.548 62.334 63.200 -0.529 0.000 0.814 247 S HN 0.529 nan 8.310 nan 0.000 0.477 248 T N 2.598 117.134 114.554 -0.030 0.000 2.803 248 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 248 T C 2.081 176.772 174.700 -0.015 0.000 1.052 248 T CA 1.151 63.254 62.100 0.004 0.000 1.136 248 T CB -0.487 68.358 68.868 -0.039 0.000 0.864 248 T HN 0.472 nan 8.240 nan 0.000 0.467 249 A N 0.747 123.467 122.820 -0.167 0.000 1.986 249 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 249 A C 1.919 179.325 177.584 -0.295 0.000 1.171 249 A CA 1.450 53.299 52.037 -0.313 0.000 0.640 249 A CB -0.970 17.706 19.000 -0.541 0.000 0.811 249 A HN 0.552 nan 8.150 nan 0.000 0.451 250 F N 0.407 120.462 119.950 0.175 0.000 2.084 250 F HA -0.058 4.469 4.527 -0.000 0.000 0.296 250 F C 0.048 175.945 175.800 0.161 0.000 1.111 250 F CA 1.646 59.779 58.000 0.222 0.000 1.224 250 F CB -1.235 38.022 39.000 0.429 0.000 0.991 250 F HN 0.197 nan 8.300 nan 0.000 0.471 251 P HA -0.132 nan 4.420 nan 0.000 0.221 251 P C 1.986 179.333 177.300 0.078 0.000 1.150 251 P CA 1.229 64.423 63.100 0.156 0.000 0.800 251 P CB -0.045 31.745 31.700 0.150 0.000 0.787 252 L N -0.143 121.113 121.223 0.056 0.000 2.017 252 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 252 L C 2.397 179.263 176.870 -0.008 0.000 1.073 252 L CA 1.554 56.398 54.840 0.006 0.000 0.745 252 L CB -0.683 41.362 42.059 -0.023 0.000 0.894 252 L HN -0.229 nan 8.230 nan 0.000 0.432 253 V N 0.138 120.044 119.914 -0.012 0.000 2.427 253 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 253 V C 2.782 178.869 176.094 -0.011 0.000 1.051 253 V CA 1.457 63.747 62.300 -0.018 0.000 1.048 253 V CB -0.817 30.990 31.823 -0.026 0.000 0.666 253 V HN 0.601 nan 8.190 nan 0.000 0.456 254 A N 0.162 122.994 122.820 0.020 0.000 1.902 254 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 254 A C 2.416 179.978 177.584 -0.035 0.000 1.181 254 A CA 2.112 54.147 52.037 -0.005 0.000 0.623 254 A CB -0.730 18.287 19.000 0.028 0.000 0.818 254 A HN 0.566 nan 8.150 nan 0.000 0.443 255 A N -0.452 122.357 122.820 -0.019 0.000 1.969 255 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 255 A C 2.138 179.700 177.584 -0.037 0.000 1.169 255 A CA 1.359 53.380 52.037 -0.027 0.000 0.635 255 A CB -0.522 18.470 19.000 -0.014 0.000 0.810 255 A HN 0.474 nan 8.150 nan 0.000 0.445 256 L N -0.825 120.376 121.223 -0.036 0.000 2.093 256 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 256 L C 2.389 179.222 176.870 -0.060 0.000 1.085 256 L CA 0.990 55.807 54.840 -0.038 0.000 0.755 256 L CB -0.403 41.639 42.059 -0.030 0.000 0.904 256 L HN 0.379 nan 8.230 nan 0.000 0.435 257 L N -1.255 119.910 121.223 -0.097 0.000 2.202 257 L HA 0.040 4.380 4.340 -0.000 0.000 0.205 257 L C 0.786 177.541 176.870 -0.192 0.000 1.083 257 L CA -0.074 54.657 54.840 -0.180 0.000 0.790 257 L CB -0.064 41.805 42.059 -0.317 0.000 0.942 257 L HN -0.079 nan 8.230 nan 0.000 0.452 258 V N 1.952 121.779 119.914 -0.144 0.000 2.439 258 V HA 0.137 4.257 4.120 -0.000 0.000 0.271 258 V C -2.023 174.025 176.094 -0.078 0.000 1.040 258 V CA -1.317 60.913 62.300 -0.117 0.000 1.002 258 V CB 0.406 32.177 31.823 -0.088 0.000 1.000 258 V HN -0.012 nan 8.190 nan 0.000 0.477 259 P HA 0.200 nan 4.420 nan 0.000 0.267 259 P C 0.868 178.148 177.300 -0.034 0.000 1.200 259 P CA 1.037 64.112 63.100 -0.043 0.000 0.772 259 P CB 0.576 32.256 31.700 -0.034 0.000 0.855 260 G N 0.816 109.601 108.800 -0.026 0.000 2.160 260 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.251 260 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.251 260 G C 0.116 175.003 174.900 -0.022 0.000 1.008 260 G CA -0.086 45.002 45.100 -0.021 0.000 0.724 260 G HN 0.543 nan 8.290 nan 0.000 0.514 261 S N -0.105 115.580 115.700 -0.026 0.000 2.565 261 S HA 0.659 5.129 4.470 -0.000 0.000 0.290 261 S C -0.584 174.005 174.600 -0.019 0.000 1.150 261 S CA -0.444 57.742 58.200 -0.024 0.000 1.058 261 S CB 2.150 65.332 63.200 -0.031 0.000 1.032 261 S HN 0.387 nan 8.310 nan 0.000 0.510 262 D N 1.757 122.148 120.400 -0.016 0.000 2.354 262 D HA 0.340 4.980 4.640 -0.000 0.000 0.230 262 D C -1.661 174.633 176.300 -0.010 0.000 1.361 262 D CA -0.168 53.825 54.000 -0.012 0.000 0.992 262 D CB 1.131 41.925 40.800 -0.010 0.000 1.409 262 D HN 0.253 nan 8.370 nan 0.000 0.573 263 V N 2.649 122.558 119.914 -0.008 0.000 2.588 263 V HA 0.571 4.691 4.120 -0.000 0.000 0.304 263 V C 0.180 176.274 176.094 0.000 0.000 1.042 263 V CA -0.504 61.794 62.300 -0.003 0.000 0.877 263 V CB 2.162 33.984 31.823 -0.000 0.000 0.996 263 V HN 0.511 nan 8.190 nan 0.000 0.425 264 T N 5.863 120.419 114.554 0.002 0.000 2.779 264 T HA 0.698 5.048 4.350 -0.000 0.000 0.280 264 T C -0.470 174.235 174.700 0.008 0.000 0.987 264 T CA -0.139 61.963 62.100 0.003 0.000 0.966 264 T CB 1.033 69.901 68.868 0.001 0.000 0.933 264 T HN 0.352 nan 8.240 nan 0.000 0.442 265 I N 3.731 124.306 120.570 0.008 0.000 2.354 265 I HA 0.390 4.560 4.170 -0.000 0.000 0.292 265 I C -0.200 175.919 176.117 0.004 0.000 0.989 265 I CA -0.516 60.791 61.300 0.012 0.000 1.188 265 I CB 1.129 39.138 38.000 0.014 0.000 1.342 265 I HN 0.376 nan 8.210 nan 0.000 0.457 266 L N 5.703 126.928 121.223 0.004 0.000 2.357 266 L HA 0.401 4.741 4.340 -0.000 0.000 0.273 266 L C 1.019 177.885 176.870 -0.006 0.000 1.080 266 L CA -0.651 54.189 54.840 -0.000 0.000 0.803 266 L CB 0.625 42.685 42.059 0.003 0.000 1.174 266 L HN 0.780 nan 8.230 nan 0.000 0.443 267 N N 0.990 119.686 118.700 -0.006 0.000 2.738 267 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 267 N C -1.006 174.494 175.510 -0.017 0.000 1.047 267 N CA -0.261 52.783 53.050 -0.010 0.000 0.707 267 N CB -0.177 38.304 38.487 -0.010 0.000 0.937 267 N HN 0.306 nan 8.380 nan 0.000 0.545 268 V N 2.218 122.122 119.914 -0.016 0.000 2.465 268 V HA 0.246 4.366 4.120 -0.000 0.000 0.279 268 V C 0.918 177.002 176.094 -0.016 0.000 1.045 268 V CA -0.700 61.586 62.300 -0.022 0.000 0.938 268 V CB 1.415 33.225 31.823 -0.022 0.000 0.986 268 V HN 0.293 nan 8.190 nan 0.000 0.467 269 L N 6.432 127.644 121.223 -0.018 0.000 2.559 269 L HA 0.145 4.485 4.340 -0.000 0.000 0.274 269 L C 0.664 177.539 176.870 0.008 0.000 1.205 269 L CA 1.112 55.952 54.840 0.001 0.000 0.907 269 L CB 0.303 42.363 42.059 0.001 0.000 1.153 269 L HN 0.604 nan 8.230 nan 0.000 0.490 270 M N 3.817 123.427 119.600 0.016 0.000 2.496 270 M HA 0.178 4.658 4.480 -0.000 0.000 0.330 270 M C 0.259 176.570 176.300 0.019 0.000 1.133 270 M CA -0.123 55.183 55.300 0.011 0.000 0.964 270 M CB -1.072 31.530 32.600 0.004 0.000 1.401 270 M HN 0.783 nan 8.290 nan 0.000 0.520 271 N N 3.852 122.575 118.700 0.039 0.000 2.359 271 N HA -0.013 4.727 4.740 -0.000 0.000 0.261 271 N C -1.353 174.166 175.510 0.015 0.000 1.267 271 N CA -0.628 52.444 53.050 0.037 0.000 0.864 271 N CB 1.246 39.781 38.487 0.080 0.000 1.063 271 N HN 0.019 nan 8.380 nan 0.000 0.474 272 P HA -0.161 nan 4.420 nan 0.000 0.223 272 P C 0.690 177.983 177.300 -0.012 0.000 1.144 272 P CA 1.195 64.291 63.100 -0.007 0.000 0.783 272 P CB -0.138 31.558 31.700 -0.008 0.000 0.771 273 T N -3.956 110.586 114.554 -0.020 0.000 3.160 273 T HA 0.110 4.460 4.350 -0.000 0.000 0.257 273 T C 1.443 176.138 174.700 -0.008 0.000 1.147 273 T CA 0.200 62.283 62.100 -0.027 0.000 1.064 273 T CB -0.326 68.501 68.868 -0.067 0.000 0.949 273 T HN 0.004 nan 8.240 nan 0.000 0.526 274 R N 0.683 121.186 120.500 0.005 0.000 2.509 274 R HA 0.186 4.525 4.340 -0.000 0.000 0.297 274 R C 1.492 177.784 176.300 -0.013 0.000 0.951 274 R CA 0.754 56.864 56.100 0.017 0.000 1.103 274 R CB -0.022 30.313 30.300 0.058 0.000 1.283 274 R HN 0.624 nan 8.270 nan 0.000 0.534 275 T N -3.199 111.343 114.554 -0.020 0.000 3.214 275 T HA 0.165 4.515 4.350 -0.000 0.000 0.264 275 T C 1.591 176.261 174.700 -0.050 0.000 1.012 275 T CA 0.296 62.374 62.100 -0.036 0.000 0.901 275 T CB 0.740 69.593 68.868 -0.025 0.000 1.070 275 T HN 0.115 nan 8.240 nan 0.000 0.561 276 G N 2.020 110.785 108.800 -0.058 0.000 2.450 276 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.220 276 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.220 276 G C 1.247 176.084 174.900 -0.105 0.000 1.130 276 G CA 0.992 46.049 45.100 -0.072 0.000 0.760 276 G HN 0.513 nan 8.290 nan 0.000 0.557 277 L N 0.616 121.758 121.223 -0.134 0.000 2.046 277 L HA 0.083 4.423 4.340 -0.000 0.000 0.208 277 L C 2.666 179.474 176.870 -0.105 0.000 1.077 277 L CA 1.309 56.057 54.840 -0.153 0.000 0.747 277 L CB -0.304 41.648 42.059 -0.178 0.000 0.896 277 L HN 0.261 nan 8.230 nan 0.000 0.432 278 I N -1.041 119.480 120.570 -0.083 0.000 2.179 278 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 278 I C 2.392 178.480 176.117 -0.048 0.000 1.088 278 I CA 1.337 62.600 61.300 -0.060 0.000 1.357 278 I CB -0.431 37.540 38.000 -0.047 0.000 1.051 278 I HN 0.355 nan 8.210 nan 0.000 0.409 279 L N 0.508 121.704 121.223 -0.046 0.000 2.012 279 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 279 L C 2.460 179.309 176.870 -0.036 0.000 1.073 279 L CA 2.180 57.000 54.840 -0.035 0.000 0.748 279 L CB -0.988 41.052 42.059 -0.030 0.000 0.891 279 L HN 0.155 nan 8.230 nan 0.000 0.431 280 T N 0.040 114.564 114.554 -0.050 0.000 2.708 280 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 280 T C 1.973 176.650 174.700 -0.038 0.000 1.037 280 T CA 1.938 64.010 62.100 -0.047 0.000 1.146 280 T CB -0.402 68.421 68.868 -0.074 0.000 0.865 280 T HN 0.324 nan 8.240 nan 0.000 0.435 281 L N 0.699 121.894 121.223 -0.047 0.000 2.083 281 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 281 L C 2.921 179.777 176.870 -0.023 0.000 1.083 281 L CA 1.310 56.129 54.840 -0.034 0.000 0.752 281 L CB -0.604 41.429 42.059 -0.043 0.000 0.899 281 L HN 0.319 nan 8.230 nan 0.000 0.433 282 Q N -0.066 119.720 119.800 -0.024 0.000 2.084 282 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 282 Q C 2.051 178.044 176.000 -0.011 0.000 0.978 282 Q CA 1.529 57.322 55.803 -0.017 0.000 0.844 282 Q CB -0.093 28.634 28.738 -0.017 0.000 0.898 282 Q HN 0.557 nan 8.270 nan 0.000 0.426 283 E N 0.191 120.383 120.200 -0.012 0.000 2.204 283 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 283 E C 1.597 178.196 176.600 -0.003 0.000 0.990 283 E CA 0.792 57.188 56.400 -0.007 0.000 0.821 283 E CB -0.011 29.685 29.700 -0.006 0.000 0.750 283 E HN 0.397 nan 8.360 nan 0.000 0.477 284 M N -0.856 118.742 119.600 -0.004 0.000 2.618 284 M HA 0.093 4.573 4.480 -0.000 0.000 0.240 284 M C 1.036 177.339 176.300 0.004 0.000 1.123 284 M CA 0.683 55.985 55.300 0.003 0.000 1.060 284 M CB 0.807 33.409 32.600 0.004 0.000 1.535 284 M HN 0.274 nan 8.290 nan 0.000 0.507 285 G N 0.389 109.189 108.800 0.000 0.000 2.148 285 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.203 285 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.203 285 G C 0.122 175.020 174.900 -0.002 0.000 0.993 285 G CA -0.168 44.932 45.100 0.001 0.000 0.661 285 G HN 0.651 nan 8.290 nan 0.000 0.518 286 A N 0.095 122.911 122.820 -0.006 0.000 2.445 286 A HA 0.507 4.827 4.320 -0.000 0.000 0.242 286 A C 0.294 177.872 177.584 -0.011 0.000 1.075 286 A CA 0.637 52.668 52.037 -0.010 0.000 0.777 286 A CB 0.467 19.457 19.000 -0.016 0.000 1.013 286 A HN 0.395 nan 8.150 nan 0.000 0.493 287 D N 1.955 122.348 120.400 -0.011 0.000 2.485 287 D HA 0.457 5.097 4.640 -0.000 0.000 0.221 287 D C -0.905 175.388 176.300 -0.012 0.000 1.112 287 D CA 0.094 54.087 54.000 -0.010 0.000 0.911 287 D CB -0.213 40.582 40.800 -0.009 0.000 1.019 287 D HN 0.349 nan 8.370 nan 0.000 0.516 288 I N 2.683 123.246 120.570 -0.013 0.000 2.439 288 I HA 0.226 4.396 4.170 -0.000 0.000 0.285 288 I C 0.069 176.179 176.117 -0.012 0.000 1.021 288 I CA -0.790 60.501 61.300 -0.014 0.000 1.091 288 I CB 2.034 40.023 38.000 -0.019 0.000 1.242 288 I HN 0.184 nan 8.210 nan 0.000 0.439 289 E N 6.219 126.412 120.200 -0.010 0.000 2.156 289 E HA 0.443 4.793 4.350 -0.000 0.000 0.279 289 E C -1.372 175.223 176.600 -0.008 0.000 0.965 289 E CA -0.655 55.740 56.400 -0.008 0.000 0.789 289 E CB 1.851 31.547 29.700 -0.007 0.000 1.098 289 E HN 0.333 nan 8.360 nan 0.000 0.397 290 V N 6.845 126.755 119.914 -0.008 0.000 2.364 290 V HA 0.289 4.409 4.120 -0.000 0.000 0.272 290 V C 0.138 176.229 176.094 -0.005 0.000 1.036 290 V CA -0.277 62.019 62.300 -0.007 0.000 0.880 290 V CB 0.608 32.427 31.823 -0.007 0.000 0.991 290 V HN 0.621 nan 8.190 nan 0.000 0.460 291 I N 4.377 124.944 120.570 -0.004 0.000 2.441 291 I HA 0.392 4.562 4.170 -0.000 0.000 0.295 291 I C 0.563 176.679 176.117 -0.002 0.000 0.994 291 I CA -0.603 60.695 61.300 -0.003 0.000 1.144 291 I CB 1.337 39.335 38.000 -0.003 0.000 1.314 291 I HN 0.723 nan 8.210 nan 0.000 0.445 292 N N 4.349 123.048 118.700 -0.001 0.000 2.688 292 N HA -0.126 4.614 4.740 -0.000 0.000 0.258 292 N C -2.446 173.064 175.510 0.000 0.000 1.016 292 N CA -0.398 52.652 53.050 -0.000 0.000 0.747 292 N CB -0.946 37.541 38.487 0.000 0.000 0.895 292 N HN 0.408 nan 8.380 nan 0.000 0.543 293 P HA 0.003 nan 4.420 nan 0.000 0.267 293 P C -0.334 176.968 177.300 0.003 0.000 1.205 293 P CA 0.742 63.843 63.100 0.001 0.000 0.765 293 P CB 0.779 32.479 31.700 0.001 0.000 0.828 294 R N 1.656 122.158 120.500 0.004 0.000 2.766 294 R HA 0.680 5.020 4.340 -0.000 0.000 0.270 294 R C -1.631 174.674 176.300 0.008 0.000 1.035 294 R CA -1.273 54.830 56.100 0.006 0.000 0.911 294 R CB 0.564 30.866 30.300 0.004 0.000 1.243 294 R HN 0.260 nan 8.270 nan 0.000 0.460 295 L N 0.867 122.095 121.223 0.009 0.000 2.296 295 L HA 0.781 5.121 4.340 -0.000 0.000 0.286 295 L C -1.254 175.623 176.870 0.012 0.000 1.023 295 L CA -0.175 54.672 54.840 0.012 0.000 0.812 295 L CB 1.580 43.646 42.059 0.013 0.000 1.223 295 L HN 0.888 nan 8.230 nan 0.000 0.421 296 A N 3.437 126.265 122.820 0.014 0.000 2.408 296 A HA 0.611 4.931 4.320 -0.000 0.000 0.295 296 A C 0.573 178.166 177.584 0.016 0.000 1.040 296 A CA -0.063 51.981 52.037 0.012 0.000 0.707 296 A CB 1.130 20.135 19.000 0.008 0.000 1.235 296 A HN 1.643 nan 8.150 nan 0.000 0.418 297 G N 1.029 109.839 108.800 0.016 0.000 2.258 297 G HA2 0.134 4.094 3.960 -0.000 0.000 0.274 297 G HA3 0.134 4.094 3.960 -0.000 0.000 0.274 297 G C 1.683 176.602 174.900 0.032 0.000 1.021 297 G CA 1.472 46.585 45.100 0.022 0.000 0.798 297 G HN 2.891 nan 8.290 nan 0.000 0.507 298 G N -2.100 106.718 108.800 0.030 0.000 2.159 298 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.256 298 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.256 298 G C 0.034 174.963 174.900 0.049 0.000 0.977 298 G CA 1.058 46.182 45.100 0.040 0.000 0.652 298 G HN 0.952 nan 8.290 nan 0.000 0.531 299 E N 0.306 120.532 120.200 0.043 0.000 2.336 299 E HA 0.378 4.728 4.350 -0.000 0.000 0.267 299 E C -1.011 175.610 176.600 0.034 0.000 0.906 299 E CA -0.744 55.685 56.400 0.049 0.000 0.781 299 E CB 1.146 30.881 29.700 0.058 0.000 1.261 299 E HN 0.219 nan 8.360 nan 0.000 0.436 300 D N 1.390 121.811 120.400 0.034 0.000 2.312 300 D HA 0.259 4.899 4.640 -0.000 0.000 0.252 300 D C 0.013 176.324 176.300 0.018 0.000 1.150 300 D CA 0.061 54.074 54.000 0.023 0.000 0.870 300 D CB 1.275 42.087 40.800 0.021 0.000 1.153 300 D HN 0.179 nan 8.370 nan 0.000 0.457 301 V N -1.295 118.625 119.914 0.011 0.000 3.130 301 V HA 0.988 5.108 4.120 -0.000 0.000 0.310 301 V C -0.952 175.143 176.094 0.002 0.000 1.158 301 V CA -0.832 61.471 62.300 0.005 0.000 1.029 301 V CB 1.796 33.620 31.823 0.002 0.000 1.057 301 V HN 0.673 nan 8.190 nan 0.000 0.436 302 A N 0.979 123.798 122.820 -0.002 0.000 2.586 302 A HA 0.792 5.112 4.320 -0.000 0.000 0.290 302 A C -1.796 175.786 177.584 -0.005 0.000 1.086 302 A CA -0.662 51.373 52.037 -0.003 0.000 0.665 302 A CB 1.646 20.644 19.000 -0.003 0.000 1.279 302 A HN 0.898 nan 8.150 nan 0.000 0.423 303 D N 0.600 120.998 120.400 -0.004 0.000 2.181 303 D HA 0.602 5.242 4.640 -0.000 0.000 0.248 303 D C -0.807 175.490 176.300 -0.005 0.000 1.020 303 D CA 0.095 54.092 54.000 -0.004 0.000 0.891 303 D CB 1.618 42.417 40.800 -0.002 0.000 1.187 303 D HN 0.413 nan 8.370 nan 0.000 0.443 304 L N 1.402 122.621 121.223 -0.006 0.000 2.349 304 L HA 0.449 4.789 4.340 -0.000 0.000 0.278 304 L C 0.201 177.067 176.870 -0.005 0.000 0.996 304 L CA -0.767 54.068 54.840 -0.007 0.000 0.825 304 L CB 2.025 44.078 42.059 -0.011 0.000 1.243 304 L HN 0.068 nan 8.230 nan 0.000 0.412 305 R N 2.860 123.356 120.500 -0.006 0.000 2.255 305 R HA 0.682 5.022 4.340 -0.000 0.000 0.326 305 R C -1.457 174.838 176.300 -0.008 0.000 0.986 305 R CA -0.461 55.635 56.100 -0.006 0.000 0.847 305 R CB 1.467 31.764 30.300 -0.005 0.000 1.111 305 R HN 0.445 nan 8.270 nan 0.000 0.452 306 V N 5.224 125.134 119.914 -0.008 0.000 2.487 306 V HA 0.535 4.655 4.120 -0.000 0.000 0.298 306 V C -0.115 175.972 176.094 -0.012 0.000 1.028 306 V CA -0.845 61.448 62.300 -0.011 0.000 0.860 306 V CB 1.681 33.497 31.823 -0.011 0.000 0.991 306 V HN 0.796 nan 8.190 nan 0.000 0.427 307 R N 1.848 122.340 120.500 -0.013 0.000 2.803 307 R HA 0.591 4.931 4.340 -0.000 0.000 0.276 307 R C -0.183 176.107 176.300 -0.018 0.000 0.978 307 R CA -0.680 55.412 56.100 -0.014 0.000 0.939 307 R CB 2.082 32.375 30.300 -0.012 0.000 1.179 307 R HN 0.745 nan 8.270 nan 0.000 0.472 308 S N 1.119 116.806 115.700 -0.021 0.000 2.573 308 S HA 0.037 4.507 4.470 -0.000 0.000 0.297 308 S C -0.321 174.268 174.600 -0.019 0.000 1.280 308 S CA 0.252 58.436 58.200 -0.026 0.000 1.061 308 S CB 0.347 63.530 63.200 -0.028 0.000 0.812 308 S HN 0.491 nan 8.310 nan 0.000 0.500 309 S N 1.014 116.703 115.700 -0.018 0.000 2.564 309 S HA 0.618 5.088 4.470 -0.000 0.000 0.274 309 S C -0.251 174.348 174.600 -0.002 0.000 1.124 309 S CA -1.140 57.055 58.200 -0.009 0.000 0.869 309 S CB 1.962 65.157 63.200 -0.008 0.000 1.105 309 S HN 0.797 nan 8.310 nan 0.000 0.472 310 T N 0.691 115.248 114.554 0.005 0.000 2.771 310 T HA 0.700 5.050 4.350 -0.000 0.000 0.291 310 T C -0.341 174.371 174.700 0.020 0.000 0.954 310 T CA -0.631 61.479 62.100 0.017 0.000 1.045 310 T CB -0.165 68.713 68.868 0.016 0.000 0.917 310 T HN 0.407 nan 8.240 nan 0.000 0.484 311 L N 2.423 123.666 121.223 0.033 0.000 2.330 311 L HA 0.645 4.985 4.340 -0.000 0.000 0.271 311 L C 0.311 177.202 176.870 0.034 0.000 1.013 311 L CA -1.163 53.696 54.840 0.032 0.000 0.816 311 L CB 1.820 43.904 42.059 0.042 0.000 1.287 311 L HN 0.595 nan 8.230 nan 0.000 0.435 312 K N 0.515 120.930 120.400 0.025 0.000 2.371 312 K HA 0.484 4.804 4.320 -0.000 0.000 0.251 312 K C -0.187 176.425 176.600 0.020 0.000 0.934 312 K CA -0.761 55.540 56.287 0.022 0.000 0.798 312 K CB 2.178 34.688 32.500 0.016 0.000 1.204 312 K HN 0.748 nan 8.250 nan 0.000 0.427 313 G N 1.018 109.830 108.800 0.020 0.000 2.491 313 G HA2 0.339 4.299 3.960 -0.000 0.000 0.238 313 G HA3 0.339 4.299 3.960 -0.000 0.000 0.238 313 G C -0.047 174.863 174.900 0.016 0.000 1.277 313 G CA -0.254 44.857 45.100 0.018 0.000 0.851 313 G HN 0.379 nan 8.290 nan 0.000 0.573 314 V N -1.185 118.739 119.914 0.017 0.000 3.160 314 V HA 0.828 4.948 4.120 -0.000 0.000 0.310 314 V C -0.035 176.072 176.094 0.022 0.000 1.181 314 V CA -1.077 61.232 62.300 0.016 0.000 1.047 314 V CB 1.690 33.521 31.823 0.012 0.000 1.068 314 V HN 0.651 nan 8.190 nan 0.000 0.441 315 T N 1.772 116.338 114.554 0.021 0.000 2.767 315 T HA 0.598 4.948 4.350 -0.000 0.000 0.288 315 T C -0.347 174.372 174.700 0.033 0.000 0.963 315 T CA -0.170 61.946 62.100 0.026 0.000 1.019 315 T CB 1.087 69.967 68.868 0.019 0.000 0.923 315 T HN 0.728 nan 8.240 nan 0.000 0.468 316 V N 7.777 127.723 119.914 0.052 0.000 2.311 316 V HA 0.314 4.434 4.120 -0.000 0.000 0.275 316 V C -1.847 174.293 176.094 0.077 0.000 1.022 316 V CA -2.070 60.272 62.300 0.070 0.000 0.830 316 V CB 0.768 32.662 31.823 0.118 0.000 1.012 316 V HN 0.723 nan 8.190 nan 0.000 0.452 317 P HA 0.071 nan 4.420 nan 0.000 0.269 317 P C 0.845 178.178 177.300 0.055 0.000 1.209 317 P CA -0.048 63.078 63.100 0.043 0.000 0.776 317 P CB 0.987 32.705 31.700 0.029 0.000 0.876 318 E N 2.880 123.100 120.200 0.034 0.000 2.209 318 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 318 E C 0.766 177.388 176.600 0.036 0.000 0.993 318 E CA 1.624 58.040 56.400 0.027 0.000 0.819 318 E CB -0.836 28.866 29.700 0.004 0.000 0.745 318 E HN 0.578 nan 8.360 nan 0.000 0.477 319 D N 0.697 121.115 120.400 0.031 0.000 2.347 319 D HA -0.148 4.492 4.640 -0.000 0.000 0.215 319 D C 1.948 178.270 176.300 0.036 0.000 0.976 319 D CA 0.242 54.258 54.000 0.026 0.000 0.884 319 D CB -0.343 40.466 40.800 0.015 0.000 0.915 319 D HN 0.210 nan 8.370 nan 0.000 0.526 320 R N 0.407 120.938 120.500 0.052 0.000 2.254 320 R HA 0.179 4.519 4.340 -0.000 0.000 0.195 320 R C 2.161 178.513 176.300 0.086 0.000 0.957 320 R CA 0.683 56.813 56.100 0.050 0.000 1.024 320 R CB 0.025 30.349 30.300 0.040 0.000 0.952 320 R HN 0.102 nan 8.270 nan 0.000 0.484 321 A N 2.151 125.057 122.820 0.145 0.000 1.892 321 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 321 A C -0.552 177.138 177.584 0.176 0.000 1.188 321 A CA 1.212 53.399 52.037 0.251 0.000 0.631 321 A CB -1.378 17.729 19.000 0.178 0.000 0.822 321 A HN 0.298 nan 8.150 nan 0.000 0.447 322 P HA -0.140 nan 4.420 nan 0.000 0.218 322 P C 1.599 178.929 177.300 0.049 0.000 1.148 322 P CA 1.838 64.977 63.100 0.065 0.000 0.822 322 P CB -0.176 31.545 31.700 0.036 0.000 0.784 323 S N -1.273 114.447 115.700 0.033 0.000 2.607 323 S HA 0.024 4.494 4.470 -0.000 0.000 0.224 323 S C 1.163 175.754 174.600 -0.016 0.000 0.969 323 S CA 0.358 58.561 58.200 0.006 0.000 0.927 323 S CB -1.011 62.186 63.200 -0.005 0.000 0.772 323 S HN 0.255 nan 8.310 nan 0.000 0.533 324 M N -1.943 117.648 119.600 -0.014 0.000 3.741 324 M HA 0.477 4.957 4.480 -0.000 0.000 0.507 324 M C 0.580 176.846 176.300 -0.057 0.000 1.722 324 M CA -0.415 54.825 55.300 -0.102 0.000 0.692 324 M CB -0.319 32.135 32.600 -0.244 0.000 1.492 324 M HN 0.064 nan 8.290 nan 0.000 0.555 325 I N 2.627 123.264 120.570 0.112 0.000 2.248 325 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 325 I C 1.426 177.678 176.117 0.226 0.000 1.107 325 I CA 2.157 63.614 61.300 0.262 0.000 1.373 325 I CB -0.012 38.089 38.000 0.169 0.000 1.055 325 I HN 0.373 nan 8.210 nan 0.000 0.418 326 D N -0.050 120.412 120.400 0.104 0.000 2.349 326 D HA -0.053 4.587 4.640 -0.000 0.000 0.224 326 D C 1.487 177.804 176.300 0.028 0.000 1.029 326 D CA 0.443 54.495 54.000 0.086 0.000 0.879 326 D CB 0.070 40.917 40.800 0.078 0.000 0.906 326 D HN 0.402 nan 8.370 nan 0.000 0.528 327 E N -0.938 119.226 120.200 -0.061 0.000 2.463 327 E HA 0.064 4.414 4.350 -0.000 0.000 0.193 327 E C 0.978 177.467 176.600 -0.186 0.000 1.041 327 E CA -0.115 56.182 56.400 -0.171 0.000 0.879 327 E CB -0.076 29.475 29.700 -0.247 0.000 0.997 327 E HN 0.351 nan 8.360 nan 0.000 0.478 328 Y N 0.151 120.439 120.300 -0.019 0.000 2.224 328 Y HA -0.099 4.451 4.550 -0.000 0.000 0.289 328 Y C -0.730 175.167 175.900 -0.005 0.000 1.146 328 Y CA 1.130 59.224 58.100 -0.009 0.000 1.182 328 Y CB -1.056 37.406 38.460 0.005 0.000 0.983 328 Y HN 0.202 nan 8.280 nan 0.000 0.524 329 P HA -0.198 nan 4.420 nan 0.000 0.215 329 P C 1.633 178.936 177.300 0.005 0.000 1.157 329 P CA 1.406 64.561 63.100 0.091 0.000 0.863 329 P CB 0.009 31.781 31.700 0.120 0.000 0.787 330 I N -1.160 119.405 120.570 -0.009 0.000 2.439 330 I HA -0.127 4.043 4.170 -0.000 0.000 0.251 330 I C 1.846 177.925 176.117 -0.063 0.000 1.139 330 I CA 0.964 62.236 61.300 -0.047 0.000 1.438 330 I CB -0.891 37.009 38.000 -0.167 0.000 1.085 330 I HN -0.199 nan 8.210 nan 0.000 0.427 331 L N 0.978 122.154 121.223 -0.078 0.000 2.046 331 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 331 L C 2.463 179.331 176.870 -0.002 0.000 1.077 331 L CA 2.196 56.998 54.840 -0.063 0.000 0.747 331 L CB -1.232 40.752 42.059 -0.124 0.000 0.896 331 L HN 0.234 nan 8.230 nan 0.000 0.432 332 A N -1.108 121.726 122.820 0.023 0.000 1.933 332 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 332 A C 2.276 179.860 177.584 -0.001 0.000 1.175 332 A CA 1.973 54.030 52.037 0.033 0.000 0.628 332 A CB -1.077 17.959 19.000 0.060 0.000 0.814 332 A HN 0.317 nan 8.150 nan 0.000 0.444 333 V N -0.295 119.595 119.914 -0.040 0.000 2.358 333 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 333 V C 3.048 179.234 176.094 0.154 0.000 1.047 333 V CA 1.825 64.120 62.300 -0.009 0.000 1.035 333 V CB -1.110 30.662 31.823 -0.084 0.000 0.658 333 V HN 0.617 nan 8.190 nan 0.000 0.452 334 A N 0.065 122.950 122.820 0.109 0.000 1.902 334 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 334 A C 2.399 180.076 177.584 0.155 0.000 1.181 334 A CA 2.024 54.151 52.037 0.151 0.000 0.623 334 A CB -0.756 18.274 19.000 0.052 0.000 0.818 334 A HN 0.579 nan 8.150 nan 0.000 0.443 335 A N -0.263 122.601 122.820 0.073 0.000 2.019 335 A HA 0.200 4.520 4.320 -0.000 0.000 0.219 335 A C 2.332 179.913 177.584 -0.005 0.000 1.164 335 A CA 1.726 53.787 52.037 0.040 0.000 0.644 335 A CB -0.799 18.217 19.000 0.026 0.000 0.805 335 A HN 1.092 nan 8.150 nan 0.000 0.449 336 A N -1.787 120.992 122.820 -0.068 0.000 2.172 336 A HA 0.160 4.480 4.320 -0.000 0.000 0.216 336 A C 1.244 178.511 177.584 -0.529 0.000 1.154 336 A CA 0.957 52.809 52.037 -0.309 0.000 0.701 336 A CB -0.563 18.172 19.000 -0.442 0.000 0.789 336 A HN 0.508 nan 8.150 nan 0.000 0.465 337 F N -1.157 118.799 119.950 0.009 0.000 2.683 337 F HA 0.510 5.037 4.527 -0.000 0.000 0.306 337 F C 1.004 176.808 175.800 0.007 0.000 1.102 337 F CA -0.069 57.937 58.000 0.009 0.000 1.244 337 F CB 0.274 39.279 39.000 0.007 0.000 1.029 337 F HN 0.174 nan 8.300 nan 0.000 0.545 338 A N 0.146 123.036 122.820 0.117 0.000 2.295 338 A HA 0.549 4.869 4.320 -0.000 0.000 0.318 338 A C -0.241 177.370 177.584 0.045 0.000 1.134 338 A CA -0.450 51.634 52.037 0.078 0.000 0.827 338 A CB 0.543 19.577 19.000 0.057 0.000 1.136 338 A HN 0.129 nan 8.150 nan 0.000 0.493 339 E N 0.595 120.819 120.200 0.039 0.000 2.217 339 E HA 0.463 4.813 4.350 -0.000 0.000 0.279 339 E C 0.737 177.348 176.600 0.018 0.000 1.068 339 E CA 1.553 57.969 56.400 0.026 0.000 0.882 339 E CB -0.174 29.541 29.700 0.025 0.000 1.039 339 E HN 1.711 nan 8.360 nan 0.000 0.418 340 G N 2.788 111.594 108.800 0.011 0.000 2.627 340 G HA2 0.121 4.081 3.960 -0.000 0.000 0.214 340 G HA3 0.121 4.081 3.960 -0.000 0.000 0.214 340 G C -0.568 174.336 174.900 0.006 0.000 1.331 340 G CA -0.488 44.617 45.100 0.008 0.000 0.891 340 G HN 0.973 nan 8.290 nan 0.000 0.539 341 A N -0.711 122.113 122.820 0.007 0.000 2.312 341 A HA 0.843 5.163 4.320 -0.000 0.000 0.326 341 A C 0.305 177.898 177.584 0.014 0.000 1.172 341 A CA 0.690 52.732 52.037 0.008 0.000 0.821 341 A CB 1.220 20.224 19.000 0.007 0.000 1.166 341 A HN 1.488 nan 8.150 nan 0.000 0.493 342 T N 1.803 116.367 114.554 0.018 0.000 2.779 342 T HA 0.529 4.879 4.350 -0.000 0.000 0.280 342 T C -0.622 174.097 174.700 0.032 0.000 0.987 342 T CA -0.242 61.874 62.100 0.027 0.000 0.966 342 T CB 1.108 69.995 68.868 0.031 0.000 0.933 342 T HN 0.433 nan 8.240 nan 0.000 0.442 343 V N 5.068 125.003 119.914 0.035 0.000 2.448 343 V HA 0.545 4.665 4.120 -0.000 0.000 0.295 343 V C -0.412 175.713 176.094 0.051 0.000 1.025 343 V CA -0.732 61.588 62.300 0.034 0.000 0.859 343 V CB 1.491 33.327 31.823 0.022 0.000 0.988 343 V HN 0.870 nan 8.190 nan 0.000 0.431 344 M N 6.305 125.936 119.600 0.053 0.000 2.197 344 M HA 0.516 4.996 4.480 -0.000 0.000 0.301 344 M C -0.433 175.860 176.300 -0.011 0.000 0.987 344 M CA -0.441 54.902 55.300 0.072 0.000 0.921 344 M CB 1.858 34.549 32.600 0.152 0.000 1.569 344 M HN 0.808 nan 8.290 nan 0.000 0.431 345 N N 1.010 119.700 118.700 -0.017 0.000 2.906 345 N HA 0.666 5.406 4.740 -0.000 0.000 0.327 345 N C 0.528 175.987 175.510 -0.085 0.000 1.344 345 N CA -0.120 52.899 53.050 -0.052 0.000 0.823 345 N CB 0.768 39.241 38.487 -0.024 0.000 1.351 345 N HN 0.781 nan 8.380 nan 0.000 0.604 346 G N -0.887 107.868 108.800 -0.075 0.000 2.221 346 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.265 346 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.265 346 G C 0.173 174.992 174.900 -0.134 0.000 1.041 346 G CA 0.583 45.638 45.100 -0.075 0.000 0.807 346 G HN 0.512 nan 8.290 nan 0.000 0.502 347 L N 0.422 121.538 121.223 -0.178 0.000 2.653 347 L HA 0.146 4.486 4.340 -0.000 0.000 0.231 347 L C 2.468 179.253 176.870 -0.142 0.000 1.153 347 L CA 0.489 55.183 54.840 -0.244 0.000 0.933 347 L CB -0.193 41.681 42.059 -0.308 0.000 1.175 347 L HN 0.512 nan 8.230 nan 0.000 0.473 348 E N 0.458 120.603 120.200 -0.092 0.000 2.130 348 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 348 E C 1.091 177.661 176.600 -0.050 0.000 0.998 348 E CA 1.310 57.673 56.400 -0.061 0.000 0.806 348 E CB -0.149 29.526 29.700 -0.043 0.000 0.738 348 E HN 0.481 nan 8.360 nan 0.000 0.459 349 E N 0.837 121.008 120.200 -0.047 0.000 2.268 349 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 349 E C 2.340 178.929 176.600 -0.019 0.000 0.995 349 E CA 0.353 56.739 56.400 -0.024 0.000 0.836 349 E CB -0.169 29.527 29.700 -0.008 0.000 0.763 349 E HN 0.423 nan 8.360 nan 0.000 0.491 350 L N 0.191 121.389 121.223 -0.042 0.000 2.191 350 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 350 L C 2.306 179.168 176.870 -0.013 0.000 1.103 350 L CA 0.846 55.673 54.840 -0.022 0.000 0.769 350 L CB -0.276 41.751 42.059 -0.054 0.000 0.908 350 L HN -0.001 nan 8.230 nan 0.000 0.438 351 R N -0.050 120.434 120.500 -0.026 0.000 2.316 351 R HA -0.040 4.300 4.340 -0.000 0.000 0.202 351 R C 1.308 177.597 176.300 -0.017 0.000 1.029 351 R CA 0.878 56.963 56.100 -0.025 0.000 1.018 351 R CB 0.035 30.316 30.300 -0.032 0.000 0.888 351 R HN 0.374 nan 8.270 nan 0.000 0.471 352 V N -2.318 117.592 119.914 -0.007 0.000 3.085 352 V HA 0.263 4.383 4.120 -0.000 0.000 0.345 352 V C 0.312 176.414 176.094 0.013 0.000 1.397 352 V CA -0.498 61.802 62.300 -0.001 0.000 1.165 352 V CB -0.026 31.794 31.823 -0.004 0.000 1.153 352 V HN -0.109 nan 8.190 nan 0.000 0.495 353 K N 0.879 121.293 120.400 0.024 0.000 2.761 353 K HA 0.385 4.705 4.320 -0.000 0.000 0.286 353 K C 1.238 177.874 176.600 0.060 0.000 1.019 353 K CA -0.149 56.167 56.287 0.048 0.000 1.070 353 K CB 0.573 33.111 32.500 0.064 0.000 1.387 353 K HN 0.136 nan 8.250 nan 0.000 0.509 354 E N 0.693 120.950 120.200 0.095 0.000 2.147 354 E HA -0.163 4.187 4.350 -0.000 0.000 0.199 354 E C 0.564 177.220 176.600 0.093 0.000 1.005 354 E CA 1.496 57.964 56.400 0.112 0.000 0.810 354 E CB -0.007 29.803 29.700 0.183 0.000 0.736 354 E HN 0.550 nan 8.360 nan 0.000 0.460 355 S N -0.841 114.906 115.700 0.079 0.000 2.697 355 S HA 0.285 4.755 4.470 -0.000 0.000 0.289 355 S C -0.930 173.673 174.600 0.004 0.000 1.149 355 S CA -1.156 57.070 58.200 0.043 0.000 0.850 355 S CB 1.645 64.896 63.200 0.084 0.000 1.151 355 S HN -0.039 nan 8.310 nan 0.000 0.491 356 D N 0.154 120.520 120.400 -0.058 0.000 2.359 356 D HA 0.212 4.852 4.640 -0.000 0.000 0.250 356 D C 0.941 177.226 176.300 -0.024 0.000 1.264 356 D CA -0.134 53.836 54.000 -0.049 0.000 0.911 356 D CB 0.378 41.127 40.800 -0.085 0.000 1.056 356 D HN 0.532 nan 8.370 nan 0.000 0.499 357 R N 2.466 122.976 120.500 0.016 0.000 2.148 357 R HA -0.107 4.233 4.340 -0.000 0.000 0.227 357 R C 1.725 178.056 176.300 0.053 0.000 1.103 357 R CA 0.405 56.538 56.100 0.054 0.000 0.983 357 R CB 0.025 30.368 30.300 0.073 0.000 0.874 357 R HN 0.369 nan 8.270 nan 0.000 0.451 358 L N 0.252 121.483 121.223 0.014 0.000 2.027 358 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 358 L C 2.231 179.111 176.870 0.018 0.000 1.074 358 L CA 1.838 56.682 54.840 0.007 0.000 0.745 358 L CB -0.821 41.220 42.059 -0.030 0.000 0.898 358 L HN -0.010 nan 8.230 nan 0.000 0.433 359 S N -0.835 114.861 115.700 -0.006 0.000 2.368 359 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 359 S C 2.141 176.749 174.600 0.013 0.000 1.029 359 S CA 1.174 59.367 58.200 -0.013 0.000 0.988 359 S CB -0.411 62.755 63.200 -0.057 0.000 0.838 359 S HN 0.621 nan 8.310 nan 0.000 0.462 360 A N 0.694 123.529 122.820 0.025 0.000 1.902 360 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 360 A C 2.331 179.993 177.584 0.130 0.000 1.181 360 A CA 1.699 53.791 52.037 0.091 0.000 0.623 360 A CB -0.957 18.130 19.000 0.145 0.000 0.818 360 A HN 0.448 nan 8.150 nan 0.000 0.443 361 V N -0.249 119.777 119.914 0.187 0.000 2.307 361 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 361 V C 3.068 179.309 176.094 0.245 0.000 1.045 361 V CA 1.873 64.362 62.300 0.315 0.000 1.024 361 V CB -1.144 30.821 31.823 0.237 0.000 0.651 361 V HN 0.610 nan 8.190 nan 0.000 0.449 362 A N 0.459 123.356 122.820 0.129 0.000 1.902 362 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 362 A C 2.040 179.660 177.584 0.061 0.000 1.181 362 A CA 2.162 54.251 52.037 0.087 0.000 0.623 362 A CB -0.687 18.341 19.000 0.046 0.000 0.818 362 A HN 0.595 nan 8.150 nan 0.000 0.443 363 N N 0.135 118.855 118.700 0.033 0.000 2.188 363 N HA -0.084 4.656 4.740 -0.000 0.000 0.184 363 N C 1.817 177.286 175.510 -0.069 0.000 1.018 363 N CA 1.435 54.481 53.050 -0.007 0.000 0.858 363 N CB -0.831 37.655 38.487 -0.002 0.000 0.989 363 N HN 0.471 nan 8.380 nan 0.000 0.426 364 G N 1.077 109.782 108.800 -0.158 0.000 2.408 364 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 364 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 364 G C 1.671 176.485 174.900 -0.144 0.000 1.150 364 G CA 0.287 45.076 45.100 -0.519 0.000 0.776 364 G HN 0.213 nan 8.290 nan 0.000 0.542 365 L N -0.100 121.240 121.223 0.195 0.000 2.017 365 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 365 L C 2.985 179.910 176.870 0.091 0.000 1.073 365 L CA 1.316 56.303 54.840 0.245 0.000 0.745 365 L CB -0.283 41.894 42.059 0.196 0.000 0.894 365 L HN 0.169 nan 8.230 nan 0.000 0.432 366 K N -0.228 120.199 120.400 0.045 0.000 2.057 366 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 366 K C 2.001 178.602 176.600 0.002 0.000 1.049 366 K CA 1.161 57.457 56.287 0.016 0.000 0.931 366 K CB -0.318 32.187 32.500 0.008 0.000 0.714 366 K HN 0.074 nan 8.250 nan 0.000 0.440 367 L N 1.726 122.938 121.223 -0.020 0.000 2.131 367 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 367 L C 0.799 177.665 176.870 -0.007 0.000 1.092 367 L CA 1.699 56.520 54.840 -0.032 0.000 0.759 367 L CB -0.194 41.818 42.059 -0.080 0.000 0.903 367 L HN 0.157 nan 8.230 nan 0.000 0.435 368 N N -0.059 118.653 118.700 0.020 0.000 2.320 368 N HA 0.182 4.922 4.740 -0.000 0.000 0.237 368 N C 1.011 176.542 175.510 0.036 0.000 1.129 368 N CA 0.768 53.850 53.050 0.053 0.000 0.854 368 N CB 0.420 38.983 38.487 0.127 0.000 1.083 368 N HN 0.451 nan 8.380 nan 0.000 0.504 369 G N 0.151 108.960 108.800 0.016 0.000 2.148 369 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.254 369 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.254 369 G C 0.080 174.969 174.900 -0.017 0.000 0.981 369 G CA 0.111 45.211 45.100 0.001 0.000 0.670 369 G HN 0.208 nan 8.290 nan 0.000 0.528 370 V N 0.937 120.842 119.914 -0.014 0.000 2.546 370 V HA 0.442 4.562 4.120 -0.000 0.000 0.284 370 V C 0.436 176.520 176.094 -0.018 0.000 1.050 370 V CA -0.433 61.844 62.300 -0.037 0.000 0.981 370 V CB 1.798 33.600 31.823 -0.035 0.000 0.990 370 V HN 0.361 nan 8.190 nan 0.000 0.474 371 D N 4.437 124.821 120.400 -0.027 0.000 2.336 371 D HA 0.384 5.024 4.640 -0.000 0.000 0.249 371 D C -0.330 175.965 176.300 -0.008 0.000 1.213 371 D CA -0.066 53.926 54.000 -0.014 0.000 0.870 371 D CB 0.527 41.316 40.800 -0.017 0.000 1.076 371 D HN 0.811 nan 8.370 nan 0.000 0.483 372 C N 2.101 121.402 119.300 0.002 0.000 3.173 372 C HA 0.726 5.186 4.460 -0.000 0.000 0.310 372 C C -1.351 173.645 174.990 0.009 0.000 1.306 372 C CA -0.953 58.071 59.018 0.009 0.000 1.426 372 C CB 1.993 29.746 27.740 0.022 0.000 1.800 372 C HN 0.486 nan 8.230 nan 0.000 0.470 373 D N 1.514 121.920 120.400 0.009 0.000 2.549 373 D HA 0.346 4.986 4.640 -0.000 0.000 0.251 373 D C -0.967 175.336 176.300 0.005 0.000 1.153 373 D CA 0.207 54.210 54.000 0.005 0.000 0.861 373 D CB 2.035 42.837 40.800 0.002 0.000 1.207 373 D HN 0.796 nan 8.370 nan 0.000 0.543 374 E N 1.528 121.731 120.200 0.004 0.000 2.167 374 E HA 0.510 4.860 4.350 -0.000 0.000 0.284 374 E C -0.197 176.398 176.600 -0.008 0.000 1.016 374 E CA -0.616 55.783 56.400 -0.000 0.000 0.817 374 E CB 1.064 30.766 29.700 0.002 0.000 1.080 374 E HN 0.512 nan 8.360 nan 0.000 0.397 375 G N 3.056 111.848 108.800 -0.014 0.000 2.601 375 G HA2 0.081 4.041 3.960 -0.000 0.000 0.317 375 G HA3 0.081 4.041 3.960 -0.000 0.000 0.317 375 G C 0.361 175.246 174.900 -0.024 0.000 1.246 375 G CA -0.353 44.736 45.100 -0.018 0.000 1.012 375 G HN 0.694 nan 8.290 nan 0.000 0.494 376 E N -0.978 119.207 120.200 -0.024 0.000 2.118 376 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 376 E C 1.564 178.141 176.600 -0.038 0.000 0.992 376 E CA 1.720 58.103 56.400 -0.028 0.000 0.804 376 E CB 0.030 29.716 29.700 -0.024 0.000 0.741 376 E HN 0.517 nan 8.360 nan 0.000 0.458 377 T N -2.041 112.488 114.554 -0.043 0.000 3.516 377 T HA 0.263 4.613 4.350 -0.000 0.000 0.300 377 T C -0.279 174.376 174.700 -0.075 0.000 0.995 377 T CA -0.306 61.757 62.100 -0.061 0.000 0.982 377 T CB 0.332 69.167 68.868 -0.054 0.000 1.199 377 T HN 0.079 nan 8.240 nan 0.000 0.481 378 S N 0.671 116.333 115.700 -0.063 0.000 2.588 378 S HA 0.840 5.310 4.470 -0.000 0.000 0.269 378 S C -1.962 172.614 174.600 -0.041 0.000 1.157 378 S CA -0.983 57.181 58.200 -0.060 0.000 0.824 378 S CB 2.181 65.359 63.200 -0.037 0.000 1.126 378 S HN 0.491 nan 8.310 nan 0.000 0.464 379 L N 1.071 122.278 121.223 -0.027 0.000 2.455 379 L HA 0.820 5.160 4.340 -0.000 0.000 0.264 379 L C -1.782 175.097 176.870 0.014 0.000 0.968 379 L CA -0.394 54.445 54.840 -0.001 0.000 0.827 379 L CB 2.081 44.148 42.059 0.013 0.000 1.317 379 L HN 0.764 nan 8.230 nan 0.000 0.407 380 V N 5.117 125.039 119.914 0.014 0.000 2.495 380 V HA 0.703 4.823 4.120 -0.000 0.000 0.298 380 V C -0.687 175.416 176.094 0.016 0.000 1.031 380 V CA -0.646 61.664 62.300 0.016 0.000 0.871 380 V CB 1.950 33.778 31.823 0.009 0.000 0.988 380 V HN 0.527 nan 8.190 nan 0.000 0.432 381 V N 5.546 125.470 119.914 0.017 0.000 2.588 381 V HA 0.562 4.682 4.120 -0.000 0.000 0.304 381 V C -0.159 175.933 176.094 -0.003 0.000 1.042 381 V CA -0.815 61.489 62.300 0.007 0.000 0.877 381 V CB 2.127 33.957 31.823 0.011 0.000 0.996 381 V HN 0.806 nan 8.190 nan 0.000 0.425 382 R N 2.126 122.617 120.500 -0.016 0.000 2.393 382 R HA 0.678 5.018 4.340 -0.000 0.000 0.310 382 R C 0.277 176.551 176.300 -0.044 0.000 0.968 382 R CA -0.355 55.734 56.100 -0.020 0.000 0.867 382 R CB 2.086 32.377 30.300 -0.015 0.000 1.124 382 R HN 0.916 nan 8.270 nan 0.000 0.450 383 G N 0.943 109.718 108.800 -0.041 0.000 2.488 383 G HA2 0.411 4.371 3.960 -0.000 0.000 0.318 383 G HA3 0.411 4.371 3.960 -0.000 0.000 0.318 383 G C -0.907 173.956 174.900 -0.061 0.000 1.188 383 G CA -0.476 44.579 45.100 -0.075 0.000 0.944 383 G HN 0.370 nan 8.290 nan 0.000 0.495 384 R N 1.080 121.523 120.500 -0.095 0.000 2.487 384 R HA 0.424 4.764 4.340 -0.000 0.000 0.288 384 R C -2.031 174.301 176.300 0.053 0.000 1.394 384 R CA -1.636 54.444 56.100 -0.033 0.000 1.155 384 R CB 1.458 31.723 30.300 -0.058 0.000 1.156 384 R HN 0.211 nan 8.270 nan 0.000 0.553 385 P HA -0.209 nan 4.420 nan 0.000 0.216 385 P C 0.154 177.567 177.300 0.188 0.000 1.154 385 P CA 1.552 64.746 63.100 0.157 0.000 0.865 385 P CB 0.222 31.977 31.700 0.091 0.000 0.789 386 D N -2.295 118.184 120.400 0.132 0.000 2.349 386 D HA 0.069 4.709 4.640 -0.000 0.000 0.224 386 D C 1.432 177.832 176.300 0.167 0.000 1.029 386 D CA 0.718 54.790 54.000 0.120 0.000 0.879 386 D CB -1.178 39.665 40.800 0.072 0.000 0.906 386 D HN 0.222 nan 8.370 nan 0.000 0.528 387 G N 0.275 109.227 108.800 0.255 0.000 2.196 387 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.268 387 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.268 387 G C 0.176 175.172 174.900 0.160 0.000 0.975 387 G CA 0.380 45.673 45.100 0.321 0.000 0.648 387 G HN 0.485 nan 8.290 nan 0.000 0.538 388 K N -0.013 120.446 120.400 0.098 0.000 2.401 388 K HA 0.407 4.727 4.320 -0.000 0.000 0.278 388 K C 1.524 178.150 176.600 0.043 0.000 1.018 388 K CA 0.673 56.998 56.287 0.063 0.000 0.981 388 K CB 0.552 33.080 32.500 0.046 0.000 0.933 388 K HN 1.191 nan 8.250 nan 0.000 0.477 389 G N 1.935 110.759 108.800 0.040 0.000 2.184 389 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 389 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 389 G C 0.132 175.047 174.900 0.025 0.000 0.975 389 G CA -0.005 45.111 45.100 0.026 0.000 0.642 389 G HN 0.434 nan 8.290 nan 0.000 0.536 390 L N -0.004 121.242 121.223 0.039 0.000 2.387 390 L HA 0.686 5.026 4.340 -0.000 0.000 0.266 390 L C 1.308 178.226 176.870 0.080 0.000 1.059 390 L CA 0.013 54.875 54.840 0.036 0.000 0.801 390 L CB 1.141 43.195 42.059 -0.007 0.000 1.223 390 L HN 1.171 nan 8.230 nan 0.000 0.456 391 G N 1.381 110.234 108.800 0.089 0.000 2.627 391 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.214 391 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.214 391 G C -0.985 173.954 174.900 0.065 0.000 1.331 391 G CA -0.583 44.579 45.100 0.103 0.000 0.891 391 G HN 0.728 nan 8.290 nan 0.000 0.539 392 N N 0.340 119.073 118.700 0.055 0.000 2.577 392 N HA 0.501 5.241 4.740 -0.000 0.000 0.275 392 N C 1.057 176.584 175.510 0.028 0.000 1.091 392 N CA 0.522 53.591 53.050 0.033 0.000 0.843 392 N CB 1.410 39.909 38.487 0.020 0.000 1.295 392 N HN 1.229 nan 8.380 nan 0.000 0.530 393 A N 2.099 124.934 122.820 0.025 0.000 2.019 393 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 393 A C 1.943 179.537 177.584 0.015 0.000 1.164 393 A CA 2.037 54.087 52.037 0.022 0.000 0.644 393 A CB -0.338 18.674 19.000 0.020 0.000 0.805 393 A HN 0.709 nan 8.150 nan 0.000 0.449 394 S N -1.703 114.004 115.700 0.011 0.000 2.522 394 S HA 0.317 4.787 4.470 -0.000 0.000 0.227 394 S C 1.461 176.063 174.600 0.004 0.000 0.986 394 S CA 1.185 59.388 58.200 0.006 0.000 0.929 394 S CB -0.464 62.737 63.200 0.002 0.000 0.769 394 S HN 1.962 nan 8.310 nan 0.000 0.529 395 G N 0.674 109.479 108.800 0.007 0.000 2.143 395 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.249 395 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.249 395 G C 0.236 175.134 174.900 -0.004 0.000 0.981 395 G CA -0.027 45.076 45.100 0.005 0.000 0.665 395 G HN 1.333 nan 8.290 nan 0.000 0.528 396 A N -0.113 122.702 122.820 -0.008 0.000 2.511 396 A HA 0.724 5.044 4.320 -0.000 0.000 0.242 396 A C 0.929 178.493 177.584 -0.032 0.000 1.069 396 A CA 1.107 53.131 52.037 -0.021 0.000 0.763 396 A CB 0.464 19.450 19.000 -0.024 0.000 1.001 396 A HN 2.110 nan 8.150 nan 0.000 0.498 397 A N 2.557 125.349 122.820 -0.046 0.000 2.301 397 A HA 0.558 4.878 4.320 -0.000 0.000 0.312 397 A C 0.105 177.625 177.584 -0.107 0.000 1.182 397 A CA -0.476 51.524 52.037 -0.063 0.000 0.826 397 A CB 0.411 19.378 19.000 -0.055 0.000 1.134 397 A HN 1.016 nan 8.150 nan 0.000 0.501 398 V N 2.040 121.865 119.914 -0.147 0.000 2.585 398 V HA 0.302 4.422 4.120 -0.000 0.000 0.296 398 V C 1.081 177.050 176.094 -0.208 0.000 1.035 398 V CA 0.362 62.509 62.300 -0.254 0.000 1.084 398 V CB 0.854 32.414 31.823 -0.437 0.000 0.953 398 V HN 1.043 nan 8.190 nan 0.000 0.483 399 A N 3.793 126.483 122.820 -0.216 0.000 2.396 399 A HA 0.428 4.748 4.320 -0.000 0.000 0.279 399 A C 1.254 178.696 177.584 -0.237 0.000 1.165 399 A CA 0.257 52.124 52.037 -0.284 0.000 0.824 399 A CB 0.223 19.000 19.000 -0.372 0.000 1.100 399 A HN 1.066 nan 8.150 nan 0.000 0.516 400 T N -0.746 113.688 114.554 -0.199 0.000 3.067 400 T HA 0.026 4.376 4.350 -0.000 0.000 0.257 400 T C 0.674 175.403 174.700 0.047 0.000 1.105 400 T CA 0.789 62.861 62.100 -0.046 0.000 1.104 400 T CB -0.418 68.435 68.868 -0.025 0.000 0.925 400 T HN 0.815 nan 8.240 nan 0.000 0.498 401 H N 1.806 120.878 119.070 0.003 0.000 2.626 401 H HA -0.134 4.422 4.556 -0.000 0.000 0.317 401 H C 0.647 175.994 175.328 0.032 0.000 1.140 401 H CA 0.947 57.004 56.048 0.015 0.000 1.134 401 H CB -2.194 27.578 29.762 0.016 0.000 1.486 401 H HN 0.534 nan 8.280 nan 0.000 0.417 402 L N -1.217 120.057 121.223 0.085 0.000 4.001 402 L HA -0.251 4.089 4.340 -0.000 0.000 0.413 402 L C 0.362 177.304 176.870 0.119 0.000 1.185 402 L CA 1.273 56.162 54.840 0.081 0.000 0.963 402 L CB -0.725 41.382 42.059 0.079 0.000 1.976 402 L HN 0.345 nan 8.230 nan 0.000 0.939 403 D N -0.191 120.289 120.400 0.134 0.000 2.441 403 D HA 0.170 4.810 4.640 -0.000 0.000 0.231 403 D C 1.565 177.951 176.300 0.143 0.000 1.073 403 D CA -0.292 53.815 54.000 0.177 0.000 0.850 403 D CB 0.697 41.584 40.800 0.146 0.000 1.062 403 D HN 0.294 nan 8.370 nan 0.000 0.524 404 H N 4.368 123.440 119.070 0.003 0.000 2.394 404 H HA -0.133 4.423 4.556 -0.000 0.000 0.297 404 H C 0.969 176.229 175.328 -0.114 0.000 1.113 404 H CA 1.153 57.161 56.048 -0.067 0.000 1.277 404 H CB -0.068 29.667 29.762 -0.046 0.000 1.370 404 H HN 0.382 nan 8.280 nan 0.000 0.506 405 R N -0.035 120.134 120.500 -0.552 0.000 2.148 405 R HA 0.039 4.379 4.340 -0.000 0.000 0.223 405 R C 2.363 178.623 176.300 -0.067 0.000 1.088 405 R CA 0.740 56.655 56.100 -0.309 0.000 0.985 405 R CB 0.200 30.388 30.300 -0.186 0.000 0.880 405 R HN 0.288 nan 8.270 nan 0.000 0.451 406 I N 0.743 121.323 120.570 0.016 0.000 2.286 406 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 406 I C 2.506 178.733 176.117 0.183 0.000 1.104 406 I CA 1.049 62.465 61.300 0.192 0.000 1.397 406 I CB -1.298 36.820 38.000 0.198 0.000 1.072 406 I HN 0.078 nan 8.210 nan 0.000 0.417 407 A N 0.768 123.594 122.820 0.011 0.000 1.877 407 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 407 A C 2.394 179.870 177.584 -0.181 0.000 1.186 407 A CA 1.650 53.658 52.037 -0.049 0.000 0.620 407 A CB -0.564 18.371 19.000 -0.109 0.000 0.822 407 A HN 0.326 nan 8.150 nan 0.000 0.443 408 M N -0.484 118.828 119.600 -0.480 0.000 2.175 408 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 408 M C 2.406 178.494 176.300 -0.353 0.000 1.063 408 M CA 1.556 56.340 55.300 -0.861 0.000 1.119 408 M CB -0.300 31.202 32.600 -1.829 0.000 1.377 408 M HN 0.419 nan 8.290 nan 0.000 0.415 409 S N 0.178 115.808 115.700 -0.116 0.000 2.368 409 S HA -0.079 4.391 4.470 -0.000 0.000 0.225 409 S C 1.553 176.060 174.600 -0.155 0.000 1.030 409 S CA 1.291 59.505 58.200 0.022 0.000 0.999 409 S CB -0.348 62.814 63.200 -0.063 0.000 0.844 409 S HN 0.345 nan 8.310 nan 0.000 0.459 410 F N 1.311 121.300 119.950 0.065 0.000 2.367 410 F HA 0.151 4.678 4.527 -0.000 0.000 0.298 410 F C 1.878 177.727 175.800 0.082 0.000 1.094 410 F CA 0.436 58.482 58.000 0.077 0.000 1.409 410 F CB -0.368 38.661 39.000 0.048 0.000 1.064 410 F HN 0.111 nan 8.300 nan 0.000 0.528 411 L N -0.942 120.391 121.223 0.183 0.000 2.093 411 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 411 L C 2.330 179.301 176.870 0.167 0.000 1.085 411 L CA 0.591 55.535 54.840 0.172 0.000 0.755 411 L CB -0.664 41.513 42.059 0.197 0.000 0.904 411 L HN -0.034 nan 8.230 nan 0.000 0.435 412 V N -0.207 119.812 119.914 0.175 0.000 2.343 412 V HA -0.363 3.757 4.120 -0.000 0.000 0.247 412 V C 2.451 178.599 176.094 0.091 0.000 1.051 412 V CA 2.015 64.404 62.300 0.147 0.000 1.036 412 V CB -0.373 31.568 31.823 0.196 0.000 0.654 412 V HN 0.474 nan 8.190 nan 0.000 0.451 413 M N 0.547 120.213 119.600 0.111 0.000 2.149 413 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 413 M C 1.945 178.359 176.300 0.190 0.000 1.064 413 M CA 2.299 57.715 55.300 0.194 0.000 1.102 413 M CB -0.555 32.177 32.600 0.219 0.000 1.369 413 M HN 0.401 nan 8.290 nan 0.000 0.408 414 G N 0.180 109.076 108.800 0.159 0.000 2.509 414 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 414 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 414 G C 1.296 176.237 174.900 0.069 0.000 1.124 414 G CA 0.371 45.547 45.100 0.127 0.000 0.776 414 G HN 0.489 nan 8.290 nan 0.000 0.547 415 L N 0.150 121.393 121.223 0.034 0.000 2.478 415 L HA 0.053 4.393 4.340 -0.000 0.000 0.223 415 L C 2.086 178.920 176.870 -0.061 0.000 1.140 415 L CA 0.112 54.944 54.840 -0.014 0.000 0.842 415 L CB 0.110 42.152 42.059 -0.028 0.000 0.953 415 L HN 0.139 nan 8.230 nan 0.000 0.452 416 V N -2.833 117.023 119.914 -0.095 0.000 3.219 416 V HA 0.070 4.190 4.120 -0.000 0.000 0.240 416 V C 1.265 177.339 176.094 -0.035 0.000 1.222 416 V CA 0.349 62.506 62.300 -0.239 0.000 1.181 416 V CB 0.401 31.737 31.823 -0.811 0.000 0.941 416 V HN 0.387 nan 8.190 nan 0.000 0.471 417 S N 0.618 116.426 115.700 0.180 0.000 2.584 417 S HA 0.084 4.554 4.470 -0.000 0.000 0.270 417 S C 1.069 175.763 174.600 0.157 0.000 1.346 417 S CA 0.309 58.689 58.200 0.301 0.000 1.018 417 S CB 1.298 64.681 63.200 0.304 0.000 0.899 417 S HN 0.524 nan 8.310 nan 0.000 0.542 418 E N 1.658 121.944 120.200 0.143 0.000 2.077 418 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 418 E C -0.079 176.563 176.600 0.071 0.000 0.989 418 E CA 0.912 57.365 56.400 0.088 0.000 0.800 418 E CB 0.036 29.781 29.700 0.076 0.000 0.746 418 E HN 0.675 nan 8.360 nan 0.000 0.452 419 N N 1.069 119.816 118.700 0.078 0.000 2.417 419 N HA 0.283 5.023 4.740 -0.000 0.000 0.300 419 N C -2.624 172.931 175.510 0.075 0.000 1.102 419 N CA -1.683 51.406 53.050 0.064 0.000 0.886 419 N CB 1.421 39.941 38.487 0.054 0.000 1.203 419 N HN -0.043 nan 8.380 nan 0.000 0.496 420 P HA 0.069 nan 4.420 nan 0.000 0.270 420 P C -0.512 176.836 177.300 0.079 0.000 1.223 420 P CA -0.134 63.005 63.100 0.065 0.000 0.785 420 P CB 0.707 32.434 31.700 0.045 0.000 0.923 421 V N 2.017 121.989 119.914 0.095 0.000 2.495 421 V HA 0.416 4.536 4.120 -0.000 0.000 0.298 421 V C 0.056 176.203 176.094 0.088 0.000 1.031 421 V CA -0.193 62.176 62.300 0.115 0.000 0.871 421 V CB 1.970 33.909 31.823 0.193 0.000 0.988 421 V HN 0.492 nan 8.190 nan 0.000 0.432 422 T N 4.041 118.629 114.554 0.057 0.000 2.829 422 T HA 0.638 4.988 4.350 -0.000 0.000 0.280 422 T C -0.430 174.277 174.700 0.011 0.000 0.999 422 T CA -0.445 61.675 62.100 0.032 0.000 0.983 422 T CB 1.735 70.609 68.868 0.010 0.000 0.968 422 T HN 0.698 nan 8.240 nan 0.000 0.446 423 V N 0.590 120.511 119.914 0.012 0.000 2.667 423 V HA 0.540 4.660 4.120 -0.000 0.000 0.308 423 V C 0.840 176.914 176.094 -0.033 0.000 1.048 423 V CA -0.926 61.364 62.300 -0.016 0.000 0.928 423 V CB 1.689 33.520 31.823 0.014 0.000 1.004 423 V HN 0.840 nan 8.190 nan 0.000 0.444 424 D N 0.696 121.060 120.400 -0.061 0.000 2.348 424 D HA 0.037 4.677 4.640 -0.000 0.000 0.216 424 D C 0.143 176.416 176.300 -0.046 0.000 0.970 424 D CA 0.954 54.918 54.000 -0.060 0.000 0.889 424 D CB 0.108 40.854 40.800 -0.090 0.000 0.912 424 D HN 0.775 nan 8.370 nan 0.000 0.524 425 D N -1.765 118.612 120.400 -0.039 0.000 2.878 425 D HA 0.492 5.132 4.640 -0.000 0.000 0.211 425 D C -0.750 175.535 176.300 -0.026 0.000 1.271 425 D CA -0.449 53.534 54.000 -0.028 0.000 0.845 425 D CB 1.517 42.299 40.800 -0.031 0.000 1.679 425 D HN -0.103 nan 8.370 nan 0.000 0.536 426 A N 2.104 124.911 122.820 -0.020 0.000 2.431 426 A HA 0.168 4.488 4.320 -0.000 0.000 0.239 426 A C 1.627 179.197 177.584 -0.022 0.000 1.230 426 A CA 0.830 52.849 52.037 -0.030 0.000 0.928 426 A CB -0.237 18.756 19.000 -0.012 0.000 1.006 426 A HN 0.606 nan 8.150 nan 0.000 0.520 427 T N -2.481 112.067 114.554 -0.011 0.000 2.962 427 T HA -0.087 4.263 4.350 -0.000 0.000 0.270 427 T C 1.528 176.227 174.700 -0.001 0.000 1.088 427 T CA 1.250 63.349 62.100 -0.003 0.000 1.127 427 T CB -0.378 68.490 68.868 0.000 0.000 0.883 427 T HN 0.189 nan 8.240 nan 0.000 0.493 428 M N 0.274 119.875 119.600 0.001 0.000 2.556 428 M HA 0.395 4.875 4.480 -0.000 0.000 0.245 428 M C 1.950 178.258 176.300 0.013 0.000 1.128 428 M CA -0.025 55.282 55.300 0.011 0.000 1.069 428 M CB -0.839 31.784 32.600 0.038 0.000 1.469 428 M HN 0.336 nan 8.290 nan 0.000 0.494 429 I N 0.660 121.223 120.570 -0.013 0.000 2.335 429 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 429 I C 2.293 178.421 176.117 0.018 0.000 1.129 429 I CA 1.165 62.441 61.300 -0.040 0.000 1.402 429 I CB -0.480 37.411 38.000 -0.182 0.000 1.069 429 I HN 0.220 nan 8.210 nan 0.000 0.424 430 A N 0.730 123.560 122.820 0.018 0.000 2.216 430 A HA -0.144 4.176 4.320 -0.000 0.000 0.214 430 A C 2.301 179.894 177.584 0.014 0.000 1.160 430 A CA 1.677 53.739 52.037 0.041 0.000 0.725 430 A CB -0.989 18.032 19.000 0.035 0.000 0.784 430 A HN 0.568 nan 8.150 nan 0.000 0.472 431 T N -2.452 112.076 114.554 -0.043 0.000 2.867 431 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 431 T C 1.696 176.330 174.700 -0.109 0.000 1.057 431 T CA 1.925 63.962 62.100 -0.105 0.000 1.136 431 T CB -0.335 68.399 68.868 -0.224 0.000 0.874 431 T HN 0.799 nan 8.240 nan 0.000 0.466 432 S N -0.954 114.712 115.700 -0.058 0.000 2.628 432 S HA 0.374 4.844 4.470 -0.000 0.000 0.246 432 S C 0.147 174.866 174.600 0.199 0.000 1.062 432 S CA -0.879 57.349 58.200 0.047 0.000 1.028 432 S CB -0.066 63.215 63.200 0.135 0.000 0.985 432 S HN 0.545 nan 8.310 nan 0.000 0.551 433 F N 2.711 122.691 119.950 0.050 0.000 2.824 433 F HA 0.372 4.899 4.527 -0.000 0.000 0.368 433 F C -2.476 173.384 175.800 0.099 0.000 1.398 433 F CA -2.042 56.016 58.000 0.097 0.000 1.142 433 F CB 1.593 40.678 39.000 0.141 0.000 1.997 433 F HN -0.019 nan 8.300 nan 0.000 0.598 434 P HA -0.176 nan 4.420 nan 0.000 0.219 434 P C 0.622 178.028 177.300 0.177 0.000 1.146 434 P CA 1.408 64.618 63.100 0.183 0.000 0.808 434 P CB 0.278 32.056 31.700 0.130 0.000 0.779 435 E N -1.510 118.870 120.200 0.299 0.000 2.511 435 E HA -0.032 4.318 4.350 -0.000 0.000 0.196 435 E C 1.471 178.080 176.600 0.015 0.000 1.066 435 E CA 0.019 56.551 56.400 0.220 0.000 0.871 435 E CB -1.020 28.887 29.700 0.345 0.000 0.863 435 E HN 0.193 nan 8.360 nan 0.000 0.520 436 F N 1.254 120.894 119.950 -0.516 0.000 2.043 436 F HA -0.340 4.187 4.527 -0.000 0.000 0.297 436 F C 1.857 177.402 175.800 -0.425 0.000 1.118 436 F CA 1.665 59.071 58.000 -0.990 0.000 1.202 436 F CB -0.056 38.308 39.000 -1.059 0.000 0.965 436 F HN 0.028 nan 8.300 nan 0.000 0.482 437 M N 0.174 119.665 119.600 -0.183 0.000 2.080 437 M HA -0.218 4.262 4.480 -0.000 0.000 0.260 437 M C 1.917 178.091 176.300 -0.211 0.000 1.068 437 M CA 1.704 56.883 55.300 -0.201 0.000 1.109 437 M CB -1.448 31.135 32.600 -0.029 0.000 1.342 437 M HN 0.170 nan 8.290 nan 0.000 0.405 438 D N 0.376 120.702 120.400 -0.123 0.000 2.117 438 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 438 D C 2.176 178.416 176.300 -0.100 0.000 0.987 438 D CA 0.861 54.813 54.000 -0.080 0.000 0.829 438 D CB -0.367 40.419 40.800 -0.022 0.000 0.961 438 D HN 0.306 nan 8.370 nan 0.000 0.460 439 L N 0.152 121.305 121.223 -0.116 0.000 2.017 439 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 439 L C 2.234 179.008 176.870 -0.160 0.000 1.073 439 L CA 1.143 55.936 54.840 -0.079 0.000 0.745 439 L CB -0.091 41.987 42.059 0.031 0.000 0.894 439 L HN -0.062 nan 8.230 nan 0.000 0.432 440 M N -0.454 118.938 119.600 -0.345 0.000 2.175 440 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 440 M C 2.508 178.683 176.300 -0.208 0.000 1.063 440 M CA 1.734 56.828 55.300 -0.344 0.000 1.119 440 M CB -1.595 30.630 32.600 -0.626 0.000 1.377 440 M HN 0.454 nan 8.290 nan 0.000 0.415 441 A N 0.431 123.138 122.820 -0.188 0.000 1.902 441 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 441 A C 2.447 179.983 177.584 -0.079 0.000 1.181 441 A CA 1.957 53.925 52.037 -0.114 0.000 0.623 441 A CB -1.468 17.476 19.000 -0.093 0.000 0.818 441 A HN 0.516 nan 8.150 nan 0.000 0.443 442 G N -0.334 108.422 108.800 -0.073 0.000 2.432 442 G HA2 -0.131 3.828 3.960 -0.000 0.000 0.219 442 G HA3 -0.131 3.828 3.960 -0.000 0.000 0.219 442 G C 1.402 176.278 174.900 -0.041 0.000 1.135 442 G CA 0.992 46.065 45.100 -0.045 0.000 0.767 442 G HN 0.461 nan 8.290 nan 0.000 0.550 443 L N -0.174 121.017 121.223 -0.054 0.000 2.492 443 L HA 0.253 4.593 4.340 -0.000 0.000 0.223 443 L C 2.088 178.932 176.870 -0.044 0.000 1.132 443 L CA 0.626 55.440 54.840 -0.043 0.000 0.850 443 L CB 0.128 42.159 42.059 -0.047 0.000 0.966 443 L HN 0.414 nan 8.230 nan 0.000 0.454 444 G N -0.631 108.137 108.800 -0.052 0.000 2.192 444 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.193 444 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.193 444 G C 0.360 175.229 174.900 -0.051 0.000 0.999 444 G CA -0.205 44.868 45.100 -0.045 0.000 0.659 444 G HN 0.401 nan 8.290 nan 0.000 0.503 445 A N 0.416 123.193 122.820 -0.071 0.000 2.462 445 A HA 0.596 4.916 4.320 -0.000 0.000 0.243 445 A C 0.481 178.027 177.584 -0.062 0.000 1.076 445 A CA 0.474 52.467 52.037 -0.073 0.000 0.773 445 A CB 0.261 19.194 19.000 -0.112 0.000 1.010 445 A HN 0.359 nan 8.150 nan 0.000 0.493 446 K N 2.240 122.616 120.400 -0.041 0.000 2.299 446 K HA 0.499 4.819 4.320 -0.000 0.000 0.268 446 K C -1.293 175.296 176.600 -0.018 0.000 1.075 446 K CA 0.340 56.611 56.287 -0.028 0.000 0.936 446 K CB 0.757 33.248 32.500 -0.015 0.000 1.228 446 K HN 0.599 nan 8.250 nan 0.000 0.454 447 I N 2.660 123.215 120.570 -0.024 0.000 2.439 447 I HA 0.165 4.335 4.170 -0.000 0.000 0.285 447 I C -0.208 175.909 176.117 -0.000 0.000 1.021 447 I CA -0.793 60.505 61.300 -0.003 0.000 1.091 447 I CB 1.735 39.732 38.000 -0.005 0.000 1.242 447 I HN 0.336 nan 8.210 nan 0.000 0.439 448 E N 5.752 125.957 120.200 0.010 0.000 2.146 448 E HA 0.326 4.676 4.350 -0.000 0.000 0.282 448 E C -0.939 175.668 176.600 0.012 0.000 0.989 448 E CA -0.880 55.525 56.400 0.008 0.000 0.799 448 E CB 2.504 32.209 29.700 0.008 0.000 1.088 448 E HN 0.278 nan 8.360 nan 0.000 0.397 449 L N 3.176 124.404 121.223 0.009 0.000 2.275 449 L HA 0.156 4.496 4.340 -0.000 0.000 0.288 449 L C 0.543 177.417 176.870 0.006 0.000 1.046 449 L CA -0.128 54.719 54.840 0.011 0.000 0.805 449 L CB 0.946 43.011 42.059 0.011 0.000 1.193 449 L HN 0.489 nan 8.230 nan 0.000 0.426 450 S N 0.000 115.703 115.700 0.005 0.000 2.498 450 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 450 S CA 0.000 58.202 58.200 0.003 0.000 1.107 450 S CB 0.000 63.200 63.200 0.000 0.000 0.593 450 S HN 0.000 nan 8.310 nan 0.000 0.517