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 2o01_1_A DATA FIRST_RESID 31 DATA SEQUENCE FEQWAKPGHF SRTIAKGPDT TTWIWNLHAD AHDFDSHTSD LEEISRKVFS DATA SEQUENCE AHFGQLSIIF LWLSGMYFHG ARFSNYEAWL NDPTHIGPSA QVVWPIVGQE DATA SEQUENCE ILNGDVGGGF RGIQITSGFF QIWRASGITS ELQLYCTAIG ALVFAGLMLF DATA SEQUENCE AGWFHYHKAA PKLAWFQDVE SMLNHHLAGL LGLGSLSWAG HQVHVSLPIN DATA SEQUENCE QFLNAGVDPK EIPLPHEFIL NRDLLAQLYP SFAEGATPFF TLNWSKYADF DATA SEQUENCE LTFRGGLDPL TGGLWLTDIA HHHLAIAILF LIAGHMYRTN WGIGHGIKDI DATA SEQUENCE LEAHKGPFTG QGHKGLYEIL TTSWHAQLSI NLAMLGSLTI VVAQHMYSMP DATA SEQUENCE PYPYLATDYA TQLSLFTHHM WIGGFLIVGA AAHAAIFMVR DYDPTTRYND DATA SEQUENCE LLDRVLRHRD AIISHLNWVC IFLGFHSFGL YIHNDTMSAL GRPQDMFSDT DATA SEQUENCE AIQLQPVFAQ WIQNTHALAP GTTAPGATAS TSLTWGGGDL VAVGNKVALL DATA SEQUENCE PIPLGTADFL VHHIHAFTIH VTVLILLKGV LFARSSRLIP DKANLGFRFP DATA SEQUENCE CDGPGRGGTC QVSAWDHVFL GLFWMYNSIS VVIFHFSWKM QSDVWGTIND DATA SEQUENCE QGVVTHITAG NFAQSSITIN GWLRDFLWAQ ASQVIQSYGS SLSAYGLFFL DATA SEQUENCE GAHFVWAFSL MFLFSGRGYW QELIESIVWA HNKLKVAPAT QPRALSIVQG DATA SEQUENCE RAVGVTHYLL GGIATTWAFF LARIIAVG 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 31 F HA 0.000 nan 4.527 nan 0.000 0.279 31 F C 0.000 175.794 175.800 -0.010 0.000 0.967 31 F CA 0.000 57.953 58.000 -0.078 0.000 1.383 31 F CB 0.000 38.938 39.000 -0.104 0.000 1.145 32 E N 1.685 122.198 120.200 0.521 0.000 2.046 32 E HA 0.204 4.556 4.350 0.003 0.000 0.199 32 E C -0.107 176.577 176.600 0.140 0.000 0.948 32 E CA 0.480 57.065 56.400 0.309 0.000 0.876 32 E CB 0.165 29.975 29.700 0.183 0.000 0.901 32 E HN 0.748 nan 8.360 nan 0.000 0.479 33 Q N -2.289 117.589 119.800 0.131 0.000 2.488 33 Q HA 0.247 4.589 4.340 0.003 0.000 0.403 33 Q C -1.664 174.531 176.000 0.324 0.000 0.566 33 Q CA -0.608 55.341 55.803 0.244 0.000 0.986 33 Q CB 1.122 30.067 28.738 0.345 0.000 0.948 33 Q HN 0.174 nan 8.270 nan 0.000 0.436 34 W N -1.251 120.064 121.300 0.025 0.000 3.078 34 W HA 0.201 4.863 4.660 0.002 0.000 0.403 34 W C -1.423 175.048 176.519 -0.080 0.000 1.276 34 W CA 0.381 57.725 57.345 -0.002 0.000 0.459 34 W CB -1.295 28.184 29.460 0.033 0.000 2.859 34 W HN 0.743 nan 8.180 nan 0.000 0.416 35 A N 4.208 126.947 122.820 -0.134 0.000 2.455 35 A HA 0.868 5.190 4.320 0.003 0.000 0.300 35 A C -0.138 177.347 177.584 -0.166 0.000 1.040 35 A CA -0.279 51.639 52.037 -0.197 0.000 0.697 35 A CB 1.852 20.600 19.000 -0.420 0.000 1.265 35 A HN 0.756 nan 8.150 nan 0.000 0.407 36 K N -0.418 119.942 120.400 -0.067 0.000 3.538 36 K HA -0.088 4.234 4.320 0.003 0.000 0.805 36 K C -2.886 173.683 176.600 -0.052 0.000 2.554 36 K CA 0.155 56.420 56.287 -0.037 0.000 1.613 36 K CB -1.566 30.912 32.500 -0.038 0.000 2.711 36 K HN 0.731 nan 8.250 nan 0.000 0.184 37 P HA 0.455 nan 4.420 nan 0.000 0.283 37 P C -0.257 176.914 177.300 -0.215 0.000 1.278 37 P CA 0.583 63.598 63.100 -0.142 0.000 0.834 37 P CB 0.996 32.575 31.700 -0.202 0.000 1.150 38 G N -0.365 108.273 108.800 -0.270 0.000 2.854 38 G HA2 -0.200 3.762 3.960 0.003 0.000 0.686 38 G HA3 -0.200 3.762 3.960 0.003 0.000 0.686 38 G C -0.333 174.384 174.900 -0.306 0.000 1.202 38 G CA 0.364 45.312 45.100 -0.253 0.000 0.878 38 G HN 0.901 nan 8.290 nan 0.000 0.583 39 H N 0.797 119.598 119.070 -0.448 0.000 1.762 39 H HA 0.348 4.906 4.556 0.003 0.000 0.147 39 H C 1.606 176.549 175.328 -0.643 0.000 1.063 39 H CA 0.855 56.423 56.048 -0.799 0.000 1.081 39 H CB 0.482 29.295 29.762 -1.582 0.000 0.814 39 H HN 0.778 nan 8.280 nan 0.000 0.296 40 F N -2.913 117.145 119.950 0.179 0.000 2.866 40 F HA 0.365 4.893 4.527 0.003 0.000 0.400 40 F C 0.769 176.590 175.800 0.034 0.000 0.898 40 F CA -0.275 57.792 58.000 0.112 0.000 1.010 40 F CB 0.187 39.191 39.000 0.007 0.000 1.168 40 F HN -0.123 nan 8.300 nan 0.000 0.575 41 S N 3.784 119.627 115.700 0.240 0.000 3.324 41 S HA 0.214 4.685 4.470 0.003 0.000 0.229 41 S C 1.569 176.208 174.600 0.065 0.000 1.417 41 S CA 0.135 58.425 58.200 0.150 0.000 1.211 41 S CB -0.529 62.765 63.200 0.156 0.000 1.157 41 S HN 0.424 nan 8.310 nan 0.000 0.491 42 R N -0.304 120.236 120.500 0.067 0.000 2.287 42 R HA -0.258 4.083 4.340 0.003 0.000 0.110 42 R C -0.017 176.274 176.300 -0.015 0.000 0.735 42 R CA 2.763 58.881 56.100 0.030 0.000 0.209 42 R CB -3.057 27.266 30.300 0.037 0.000 0.581 42 R HN 0.459 nan 8.270 nan 0.000 0.228 43 T N 1.744 116.287 114.554 -0.019 0.000 3.162 43 T HA 0.578 4.930 4.350 0.003 0.000 0.316 43 T C 1.178 175.828 174.700 -0.083 0.000 1.182 43 T CA 0.076 62.144 62.100 -0.053 0.000 1.015 43 T CB 0.248 69.094 68.868 -0.036 0.000 1.089 43 T HN 0.387 nan 8.240 nan 0.000 0.646 44 I N 0.945 121.425 120.570 -0.150 0.000 3.673 44 I HA 0.289 4.460 4.170 0.003 0.000 0.281 44 I C 2.449 178.285 176.117 -0.469 0.000 1.182 44 I CA 0.074 61.224 61.300 -0.250 0.000 1.391 44 I CB -0.714 37.159 38.000 -0.212 0.000 1.383 44 I HN 0.492 nan 8.210 nan 0.000 0.456 45 A N 1.134 123.734 122.820 -0.366 0.000 1.832 45 A HA -0.163 4.158 4.320 0.003 0.000 0.214 45 A C 1.489 178.841 177.584 -0.387 0.000 1.200 45 A CA 1.985 53.778 52.037 -0.407 0.000 0.610 45 A CB -0.562 18.288 19.000 -0.249 0.000 0.842 45 A HN 0.428 nan 8.150 nan 0.000 0.444 46 K N -2.302 117.954 120.400 -0.239 0.000 3.193 46 K HA -0.201 4.121 4.320 0.003 0.000 0.294 46 K C 0.605 177.120 176.600 -0.142 0.000 1.185 46 K CA 0.454 56.639 56.287 -0.171 0.000 0.866 46 K CB -2.711 29.690 32.500 -0.165 0.000 1.227 46 K HN 1.712 nan 8.250 nan 0.000 0.467 47 G N 0.950 109.661 108.800 -0.148 0.000 2.369 47 G HA2 -0.239 3.723 3.960 0.003 0.000 0.286 47 G HA3 -0.239 3.723 3.960 0.003 0.000 0.286 47 G C -0.928 173.916 174.900 -0.092 0.000 0.938 47 G CA 0.000 45.038 45.100 -0.104 0.000 1.271 47 G HN 0.262 nan 8.290 nan 0.000 0.488 48 P HA -0.248 nan 4.420 nan 0.000 0.249 48 P C 1.176 178.474 177.300 -0.004 0.000 0.857 48 P CA 2.499 65.494 63.100 -0.175 0.000 1.100 48 P CB 0.011 31.721 31.700 0.017 0.000 0.761 49 D N -6.244 114.225 120.400 0.115 0.000 4.063 49 D HA -0.081 4.561 4.640 0.003 0.000 0.134 49 D C -0.250 176.141 176.300 0.151 0.000 0.466 49 D CA 1.137 55.202 54.000 0.108 0.000 0.658 49 D CB -1.755 39.083 40.800 0.064 0.000 1.601 49 D HN 0.590 nan 8.370 nan 0.000 0.323 50 T N -1.936 112.758 114.554 0.233 0.000 2.956 50 T HA 0.552 4.904 4.350 0.003 0.000 0.312 50 T C 1.239 176.080 174.700 0.236 0.000 1.151 50 T CA 0.427 62.652 62.100 0.210 0.000 1.024 50 T CB 2.279 71.258 68.868 0.186 0.000 1.140 50 T HN 0.401 nan 8.240 nan 0.000 0.473 51 T N 0.067 114.687 114.554 0.111 0.000 2.341 51 T HA -0.248 4.103 4.350 0.003 0.000 0.231 51 T C 1.694 176.434 174.700 0.067 0.000 1.443 51 T CA 2.311 64.404 62.100 -0.012 0.000 1.212 51 T CB -1.844 67.038 68.868 0.024 0.000 0.862 51 T HN 1.151 nan 8.240 nan 0.000 0.398 52 T N 0.886 115.597 114.554 0.262 0.000 3.782 52 T HA -0.008 4.344 4.350 0.003 0.000 0.245 52 T C 0.598 175.583 174.700 0.476 0.000 0.743 52 T CA 0.956 63.391 62.100 0.557 0.000 2.875 52 T CB -1.492 67.706 68.868 0.549 0.000 1.081 52 T HN 0.735 nan 8.240 nan 0.000 0.426 53 W N 2.044 123.433 121.300 0.149 0.000 2.808 53 W HA 0.362 5.023 4.660 0.002 0.000 0.266 53 W C 0.596 177.158 176.519 0.071 0.000 1.247 53 W CA -0.331 57.083 57.345 0.116 0.000 1.440 53 W CB -0.176 29.315 29.460 0.052 0.000 1.040 53 W HN 0.266 nan 8.180 nan 0.000 0.606 54 I N 2.166 122.478 120.570 -0.430 0.000 3.555 54 I HA -0.004 4.168 4.170 0.003 0.000 0.304 54 I C -0.073 175.770 176.117 -0.457 0.000 1.246 54 I CA 0.372 61.293 61.300 -0.631 0.000 1.220 54 I CB -1.549 35.863 38.000 -0.980 0.000 1.001 54 I HN 0.355 nan 8.210 nan 0.000 0.513 55 W N -3.385 117.925 121.300 0.017 0.000 0.985 55 W HA 0.357 5.019 4.660 0.003 0.000 0.171 55 W C 1.114 177.678 176.519 0.075 0.000 0.701 55 W CA -0.862 56.511 57.345 0.047 0.000 0.807 55 W CB -1.753 27.680 29.460 -0.046 0.000 0.801 55 W HN -0.189 nan 8.180 nan 0.000 0.401 56 N N 1.422 120.389 118.700 0.444 0.000 2.305 56 N HA 0.005 4.747 4.740 0.003 0.000 0.179 56 N C 1.558 177.248 175.510 0.301 0.000 1.019 56 N CA 1.287 54.514 53.050 0.294 0.000 0.869 56 N CB 0.119 38.767 38.487 0.268 0.000 1.000 56 N HN 0.313 nan 8.380 nan 0.000 0.431 57 L N 0.611 122.059 121.223 0.375 0.000 2.005 57 L HA -0.125 4.216 4.340 0.003 0.000 0.207 57 L C 1.775 178.830 176.870 0.308 0.000 1.072 57 L CA 1.534 56.607 54.840 0.388 0.000 0.744 57 L CB -0.483 41.819 42.059 0.405 0.000 0.895 57 L HN 0.163 nan 8.230 nan 0.000 0.433 58 H N -0.208 118.975 119.070 0.188 0.000 2.557 58 H HA 0.041 4.599 4.556 0.003 0.000 0.287 58 H C 0.811 176.234 175.328 0.159 0.000 1.043 58 H CA 0.855 56.995 56.048 0.153 0.000 1.226 58 H CB -0.065 29.771 29.762 0.124 0.000 1.361 58 H HN 0.444 nan 8.280 nan 0.000 0.592 59 A N -0.404 122.568 122.820 0.254 0.000 2.956 59 A HA 0.299 4.620 4.320 0.003 0.000 0.294 59 A C -0.052 177.596 177.584 0.107 0.000 0.993 59 A CA -0.374 51.767 52.037 0.172 0.000 1.032 59 A CB 0.562 19.658 19.000 0.161 0.000 1.129 59 A HN 0.190 nan 8.150 nan 0.000 0.505 60 D N -1.404 119.028 120.400 0.053 0.000 2.199 60 D HA 0.283 4.925 4.640 0.003 0.000 0.080 60 D C 1.752 177.835 176.300 -0.362 0.000 1.443 60 D CA 1.080 55.027 54.000 -0.089 0.000 1.224 60 D CB -0.491 40.324 40.800 0.026 0.000 2.664 60 D HN 0.656 nan 8.370 nan 0.000 0.198 61 A N 0.458 122.876 122.820 -0.671 0.000 1.353 61 A HA -0.419 3.903 4.320 0.003 0.000 0.256 61 A C 1.619 178.586 177.584 -1.028 0.000 2.210 61 A CA 3.293 54.695 52.037 -1.058 0.000 1.095 61 A CB -1.911 16.891 19.000 -0.330 0.000 1.468 61 A HN 0.552 nan 8.150 nan 0.000 0.721 62 H N 0.034 118.759 119.070 -0.575 0.000 2.275 62 H HA 0.226 4.783 4.556 0.003 0.000 0.315 62 H C 1.202 176.068 175.328 -0.769 0.000 1.058 62 H CA 0.814 56.565 56.048 -0.496 0.000 1.387 62 H CB -0.463 29.128 29.762 -0.284 0.000 1.435 62 H HN 0.861 nan 8.280 nan 0.000 0.530 63 D N 0.076 120.222 120.400 -0.423 0.000 2.139 63 D HA -0.250 4.391 4.640 0.003 0.000 0.084 63 D C -0.399 175.426 176.300 -0.791 0.000 0.921 63 D CA 1.013 54.756 54.000 -0.428 0.000 0.369 63 D CB 0.390 41.084 40.800 -0.177 0.000 0.805 63 D HN 0.115 nan 8.370 nan 0.000 0.295 64 F N -0.342 119.707 119.950 0.165 0.000 3.064 64 F HA 0.173 4.702 4.527 0.003 0.000 0.322 64 F C 1.865 177.763 175.800 0.162 0.000 1.463 64 F CA 0.010 58.150 58.000 0.235 0.000 1.044 64 F CB -0.709 38.470 39.000 0.299 0.000 1.743 64 F HN 0.537 nan 8.300 nan 0.000 0.423 65 D N 0.426 121.071 120.400 0.409 0.000 4.954 65 D HA -0.330 4.312 4.640 0.003 0.000 0.248 65 D C 1.522 177.924 176.300 0.169 0.000 1.865 65 D CA 2.334 56.471 54.000 0.227 0.000 1.161 65 D CB -1.160 39.721 40.800 0.135 0.000 0.696 65 D HN 0.377 nan 8.370 nan 0.000 1.110 66 S N -1.792 113.979 115.700 0.117 0.000 2.723 66 S HA 0.034 4.506 4.470 0.003 0.000 0.231 66 S C 0.988 175.603 174.600 0.024 0.000 0.967 66 S CA 0.933 59.170 58.200 0.063 0.000 0.958 66 S CB -0.274 62.932 63.200 0.009 0.000 0.778 66 S HN 0.660 nan 8.310 nan 0.000 0.537 67 H N 0.168 119.330 119.070 0.154 0.000 4.854 67 H HA 0.502 5.060 4.556 0.003 0.000 0.255 67 H C -0.500 174.958 175.328 0.218 0.000 1.334 67 H CA -0.444 55.735 56.048 0.217 0.000 0.630 67 H CB 1.222 31.190 29.762 0.343 0.000 1.417 67 H HN 0.317 nan 8.280 nan 0.000 0.481 68 T N -0.973 113.826 114.554 0.410 0.000 3.012 68 T HA 0.073 4.425 4.350 0.003 0.000 0.330 68 T C 0.179 174.957 174.700 0.130 0.000 1.321 68 T CA -0.650 61.573 62.100 0.206 0.000 1.067 68 T CB 1.732 70.677 68.868 0.128 0.000 1.235 68 T HN 0.424 nan 8.240 nan 0.000 0.479 69 S N 0.486 116.231 115.700 0.076 0.000 2.603 69 S HA 0.010 4.482 4.470 0.003 0.000 0.220 69 S C 0.596 175.179 174.600 -0.029 0.000 0.967 69 S CA 0.084 58.290 58.200 0.009 0.000 0.920 69 S CB -0.630 62.574 63.200 0.006 0.000 0.773 69 S HN 0.744 nan 8.310 nan 0.000 0.529 70 D N 1.946 122.343 120.400 -0.005 0.000 2.641 70 D HA -0.012 4.629 4.640 0.003 0.000 0.241 70 D C 1.275 177.558 176.300 -0.028 0.000 1.182 70 D CA 0.135 54.130 54.000 -0.009 0.000 1.329 70 D CB -0.476 40.332 40.800 0.014 0.000 1.139 70 D HN 0.401 nan 8.370 nan 0.000 0.492 71 L N 1.376 122.566 121.223 -0.056 0.000 2.151 71 L HA -0.230 4.112 4.340 0.003 0.000 0.215 71 L C 2.056 178.905 176.870 -0.035 0.000 1.084 71 L CA 1.298 56.093 54.840 -0.076 0.000 0.764 71 L CB -0.344 41.628 42.059 -0.145 0.000 0.891 71 L HN 0.450 nan 8.230 nan 0.000 0.435 72 E N -0.084 120.113 120.200 -0.006 0.000 2.515 72 E HA -0.168 4.183 4.350 0.003 0.000 0.201 72 E C 0.188 176.810 176.600 0.036 0.000 1.071 72 E CA 0.308 56.727 56.400 0.031 0.000 0.880 72 E CB 0.306 30.031 29.700 0.041 0.000 0.828 72 E HN 0.150 nan 8.360 nan 0.000 0.540 73 E N -0.172 120.030 120.200 0.003 0.000 3.428 73 E HA 0.252 4.603 4.350 0.003 0.000 0.286 73 E C -0.519 176.028 176.600 -0.088 0.000 1.204 73 E CA -0.059 56.333 56.400 -0.014 0.000 1.015 73 E CB 0.023 29.743 29.700 0.033 0.000 1.370 73 E HN 0.295 nan 8.360 nan 0.000 0.391 74 I N -1.020 119.471 120.570 -0.131 0.000 5.065 74 I HA -0.043 4.129 4.170 0.003 0.000 0.319 74 I C 0.739 176.739 176.117 -0.195 0.000 1.139 74 I CA 0.569 61.691 61.300 -0.297 0.000 1.476 74 I CB -0.081 37.670 38.000 -0.414 0.000 1.787 74 I HN 0.123 nan 8.210 nan 0.000 0.549 75 S N 3.233 119.009 115.700 0.127 0.000 2.374 75 S HA -0.151 4.321 4.470 0.003 0.000 0.227 75 S C 1.292 175.876 174.600 -0.026 0.000 1.037 75 S CA 1.376 59.698 58.200 0.203 0.000 1.024 75 S CB -0.577 62.559 63.200 -0.106 0.000 0.861 75 S HN 0.519 nan 8.310 nan 0.000 0.456 76 R N 1.013 121.495 120.500 -0.030 0.000 4.609 76 R HA 0.456 4.798 4.340 0.003 0.000 0.235 76 R C -0.027 176.054 176.300 -0.365 0.000 1.836 76 R CA 0.016 56.062 56.100 -0.089 0.000 1.564 76 R CB -0.059 30.228 30.300 -0.021 0.000 1.382 76 R HN 0.195 nan 8.270 nan 0.000 0.776 77 K N -0.677 119.517 120.400 -0.343 0.000 2.864 77 K HA 0.118 4.439 4.320 0.003 0.000 0.192 77 K C 1.456 177.841 176.600 -0.358 0.000 1.576 77 K CA 0.214 56.295 56.287 -0.344 0.000 1.283 77 K CB 0.518 32.929 32.500 -0.147 0.000 1.778 77 K HN 0.004 nan 8.250 nan 0.000 0.611 78 V N 1.888 121.462 119.914 -0.567 0.000 2.343 78 V HA -0.164 3.958 4.120 0.003 0.000 0.247 78 V C 1.397 177.103 176.094 -0.646 0.000 1.051 78 V CA 1.822 63.658 62.300 -0.774 0.000 1.036 78 V CB -0.565 30.253 31.823 -1.675 0.000 0.654 78 V HN 0.376 nan 8.190 nan 0.000 0.451 79 F N -0.231 119.294 119.950 -0.708 0.000 2.759 79 F HA 0.520 5.049 4.527 0.003 0.000 0.322 79 F C 0.774 175.999 175.800 -0.958 0.000 1.199 79 F CA -0.163 57.452 58.000 -0.642 0.000 1.272 79 F CB 0.016 38.757 39.000 -0.432 0.000 1.467 79 F HN -0.029 nan 8.300 nan 0.000 0.561 80 S N 0.233 115.416 115.700 -0.862 0.000 2.684 80 S HA 0.712 5.184 4.470 0.003 0.000 0.268 80 S C 0.523 175.061 174.600 -0.104 0.000 1.075 80 S CA 0.196 57.905 58.200 -0.819 0.000 1.184 80 S CB 0.885 63.855 63.200 -0.382 0.000 1.129 80 S HN 0.751 nan 8.310 nan 0.000 0.630 81 A N 0.646 123.457 122.820 -0.015 0.000 4.083 81 A HA 0.495 4.817 4.320 0.003 0.000 0.082 81 A C 0.088 177.765 177.584 0.155 0.000 1.330 81 A CA 0.274 52.282 52.037 -0.049 0.000 1.888 81 A CB -0.533 18.349 19.000 -0.197 0.000 2.110 81 A HN 0.219 nan 8.150 nan 0.000 0.940 82 H N -1.968 117.077 119.070 -0.041 0.000 4.723 82 H HA -0.205 4.352 4.556 0.003 0.000 0.103 82 H C 1.202 176.570 175.328 0.066 0.000 0.619 82 H CA 1.876 57.905 56.048 -0.032 0.000 1.203 82 H CB -1.215 28.498 29.762 -0.081 0.000 0.604 82 H HN 0.438 nan 8.280 nan 0.000 0.623 83 F N 0.382 120.374 119.950 0.070 0.000 2.153 83 F HA 0.039 4.567 4.527 0.003 0.000 0.276 83 F C 2.801 178.595 175.800 -0.009 0.000 1.340 83 F CA 0.478 58.486 58.000 0.013 0.000 1.094 83 F CB -0.591 38.410 39.000 0.001 0.000 0.964 83 F HN 0.187 nan 8.300 nan 0.000 0.522 84 G N -0.001 108.951 108.800 0.253 0.000 2.873 84 G HA2 -0.512 3.450 3.960 0.003 0.000 0.233 84 G HA3 -0.512 3.450 3.960 0.003 0.000 0.233 84 G C 1.241 176.179 174.900 0.064 0.000 1.124 84 G CA 1.807 46.980 45.100 0.122 0.000 0.747 84 G HN 0.489 nan 8.290 nan 0.000 0.644 85 Q N -0.180 119.649 119.800 0.049 0.000 2.207 85 Q HA -0.203 4.139 4.340 0.003 0.000 0.215 85 Q C 2.364 178.332 176.000 -0.053 0.000 1.006 85 Q CA 2.149 57.941 55.803 -0.018 0.000 0.903 85 Q CB -0.440 28.259 28.738 -0.065 0.000 0.947 85 Q HN 0.563 nan 8.270 nan 0.000 0.414 86 L N -0.816 120.356 121.223 -0.085 0.000 2.007 86 L HA -0.094 4.247 4.340 0.003 0.000 0.205 86 L C 2.137 178.855 176.870 -0.254 0.000 1.073 86 L CA 2.438 57.123 54.840 -0.259 0.000 0.744 86 L CB -1.389 40.452 42.059 -0.363 0.000 0.898 86 L HN 0.405 nan 8.230 nan 0.000 0.435 87 S N -0.206 115.430 115.700 -0.107 0.000 2.441 87 S HA -0.186 4.285 4.470 0.003 0.000 0.242 87 S C 1.833 176.527 174.600 0.157 0.000 1.018 87 S CA 1.412 59.653 58.200 0.068 0.000 0.988 87 S CB -0.218 63.032 63.200 0.084 0.000 0.778 87 S HN 0.413 nan 8.310 nan 0.000 0.498 88 I N 1.003 121.637 120.570 0.105 0.000 2.270 88 I HA 0.080 4.251 4.170 0.003 0.000 0.239 88 I C 2.084 178.326 176.117 0.209 0.000 1.080 88 I CA 0.722 62.108 61.300 0.144 0.000 1.383 88 I CB -0.613 37.431 38.000 0.073 0.000 1.097 88 I HN 0.268 nan 8.210 nan 0.000 0.420 89 I N -0.096 120.546 120.570 0.121 0.000 2.113 89 I HA -0.411 3.761 4.170 0.003 0.000 0.242 89 I C 2.451 178.881 176.117 0.523 0.000 1.064 89 I CA 1.897 63.349 61.300 0.254 0.000 1.320 89 I CB -0.387 37.671 38.000 0.096 0.000 1.028 89 I HN 0.141 nan 8.210 nan 0.000 0.406 90 F N 0.101 120.244 119.950 0.322 0.000 1.997 90 F HA -0.325 4.204 4.527 0.003 0.000 0.296 90 F C 2.555 178.552 175.800 0.329 0.000 1.160 90 F CA 1.007 59.201 58.000 0.324 0.000 1.176 90 F CB -0.643 38.521 39.000 0.273 0.000 0.964 90 F HN -0.028 nan 8.300 nan 0.000 0.484 91 L N -0.902 120.614 121.223 0.489 0.000 2.198 91 L HA -0.305 4.036 4.340 0.003 0.000 0.218 91 L C 1.870 178.998 176.870 0.430 0.000 1.084 91 L CA 1.414 56.481 54.840 0.378 0.000 0.779 91 L CB -0.294 41.940 42.059 0.291 0.000 0.890 91 L HN 0.341 nan 8.230 nan 0.000 0.439 92 W N -0.440 121.006 121.300 0.243 0.000 1.174 92 W HA -0.084 4.577 4.660 0.003 0.000 0.282 92 W C 2.114 178.805 176.519 0.286 0.000 0.682 92 W CA 1.023 58.508 57.345 0.233 0.000 0.915 92 W CB -1.054 28.531 29.460 0.207 0.000 1.114 92 W HN -0.067 nan 8.180 nan 0.000 0.562 93 L N 0.799 122.194 121.223 0.287 0.000 2.272 93 L HA -0.402 3.940 4.340 0.003 0.000 0.233 93 L C 1.626 178.562 176.870 0.110 0.000 1.125 93 L CA 2.035 56.890 54.840 0.024 0.000 0.851 93 L CB -1.487 40.732 42.059 0.266 0.000 0.933 93 L HN 0.035 nan 8.230 nan 0.000 0.452 94 S N -0.324 115.521 115.700 0.241 0.000 3.399 94 S HA 0.252 4.724 4.470 0.003 0.000 0.267 94 S C 0.815 175.568 174.600 0.256 0.000 1.088 94 S CA 0.491 58.834 58.200 0.239 0.000 1.306 94 S CB -0.294 63.052 63.200 0.244 0.000 1.601 94 S HN 0.631 nan 8.310 nan 0.000 0.558 95 G N 1.641 110.575 108.800 0.223 0.000 4.234 95 G HA2 -0.042 3.919 3.960 0.003 0.000 0.206 95 G HA3 -0.042 3.919 3.960 0.003 0.000 0.206 95 G C 0.558 175.618 174.900 0.268 0.000 1.204 95 G CA -0.422 44.862 45.100 0.306 0.000 0.998 95 G HN 0.528 nan 8.290 nan 0.000 0.417 96 M N 1.055 120.698 119.600 0.071 0.000 2.659 96 M HA 0.449 4.931 4.480 0.003 0.000 0.243 96 M C 1.213 177.409 176.300 -0.173 0.000 1.111 96 M CA -0.013 55.341 55.300 0.090 0.000 1.070 96 M CB -1.060 31.624 32.600 0.140 0.000 1.525 96 M HN 0.444 nan 8.290 nan 0.000 0.517 97 Y N -2.758 117.559 120.300 0.029 0.000 2.526 97 Y HA 0.231 4.782 4.550 0.003 0.000 0.265 97 Y C 1.969 177.813 175.900 -0.093 0.000 1.092 97 Y CA -0.218 57.780 58.100 -0.170 0.000 1.277 97 Y CB 0.107 38.417 38.460 -0.250 0.000 1.228 97 Y HN 0.078 nan 8.280 nan 0.000 0.507 98 F N 0.138 120.106 119.950 0.029 0.000 2.163 98 F HA -0.177 4.352 4.527 0.003 0.000 0.297 98 F C 1.801 177.373 175.800 -0.379 0.000 1.094 98 F CA 1.102 59.024 58.000 -0.129 0.000 1.290 98 F CB 0.163 39.102 39.000 -0.103 0.000 1.017 98 F HN 0.145 nan 8.300 nan 0.000 0.483 99 H N -0.863 118.320 119.070 0.190 0.000 2.538 99 H HA 0.181 4.738 4.556 0.003 0.000 0.286 99 H C 1.528 177.010 175.328 0.255 0.000 1.035 99 H CA 0.628 56.813 56.048 0.227 0.000 1.169 99 H CB -0.035 29.976 29.762 0.416 0.000 1.417 99 H HN 0.396 nan 8.280 nan 0.000 0.567 100 G N 0.021 108.909 108.800 0.147 0.000 2.805 100 G HA2 0.083 4.044 3.960 0.003 0.000 0.214 100 G HA3 0.083 4.044 3.960 0.003 0.000 0.214 100 G C 1.426 176.303 174.900 -0.038 0.000 1.220 100 G CA 0.481 45.654 45.100 0.122 0.000 0.854 100 G HN 0.310 nan 8.290 nan 0.000 0.623 101 A N -0.122 122.620 122.820 -0.130 0.000 2.276 101 A HA 0.365 4.687 4.320 0.003 0.000 0.212 101 A C 1.981 179.408 177.584 -0.262 0.000 1.230 101 A CA 0.697 52.632 52.037 -0.170 0.000 0.844 101 A CB -0.188 18.725 19.000 -0.146 0.000 0.860 101 A HN 0.265 nan 8.150 nan 0.000 0.486 102 R N -0.683 119.535 120.500 -0.469 0.000 2.265 102 R HA 0.188 4.530 4.340 0.003 0.000 0.194 102 R C -0.809 175.173 176.300 -0.529 0.000 0.931 102 R CA 0.725 56.477 56.100 -0.579 0.000 1.032 102 R CB 0.066 29.946 30.300 -0.699 0.000 0.980 102 R HN 0.436 nan 8.270 nan 0.000 0.497 103 F N -1.166 118.861 119.950 0.129 0.000 3.282 103 F HA 0.405 4.934 4.527 0.003 0.000 0.398 103 F C -0.511 175.365 175.800 0.126 0.000 1.205 103 F CA -1.374 56.755 58.000 0.215 0.000 1.273 103 F CB -0.314 39.011 39.000 0.542 0.000 2.153 103 F HN -0.224 nan 8.300 nan 0.000 0.680 104 S N 0.897 116.552 115.700 -0.076 0.000 2.566 104 S HA 0.143 4.615 4.470 0.003 0.000 0.280 104 S C 0.777 175.306 174.600 -0.118 0.000 1.343 104 S CA 0.410 58.578 58.200 -0.053 0.000 1.036 104 S CB 0.776 63.883 63.200 -0.155 0.000 0.866 104 S HN 0.700 nan 8.310 nan 0.000 0.526 105 N N 0.710 119.599 118.700 0.316 0.000 2.193 105 N HA 0.127 4.869 4.740 0.003 0.000 0.210 105 N C 0.874 176.548 175.510 0.273 0.000 1.215 105 N CA -0.136 53.161 53.050 0.411 0.000 0.901 105 N CB -0.304 38.676 38.487 0.822 0.000 1.060 105 N HN 0.648 nan 8.380 nan 0.000 0.508 106 Y N 2.183 122.288 120.300 -0.326 0.000 1.977 106 Y HA -0.264 4.288 4.550 0.003 0.000 0.264 106 Y C 1.738 177.556 175.900 -0.136 0.000 1.167 106 Y CA 2.137 59.971 58.100 -0.442 0.000 1.102 106 Y CB -0.653 37.543 38.460 -0.440 0.000 0.948 106 Y HN 0.142 nan 8.280 nan 0.000 0.489 107 E N 0.144 120.242 120.200 -0.170 0.000 1.998 107 E HA -0.057 4.295 4.350 0.003 0.000 0.196 107 E C 1.428 177.969 176.600 -0.097 0.000 1.003 107 E CA 1.094 57.348 56.400 -0.243 0.000 0.829 107 E CB -0.647 28.894 29.700 -0.264 0.000 0.777 107 E HN 0.400 nan 8.360 nan 0.000 0.460 108 A N -0.199 122.591 122.820 -0.051 0.000 3.270 108 A HA -0.019 4.303 4.320 0.003 0.000 0.271 108 A C 0.135 177.852 177.584 0.223 0.000 2.082 108 A CA 1.090 53.146 52.037 0.032 0.000 1.509 108 A CB -1.302 17.687 19.000 -0.018 0.000 0.851 108 A HN 0.657 nan 8.150 nan 0.000 0.589 109 W N 0.628 121.921 121.300 -0.011 0.000 4.500 109 W HA -0.122 4.540 4.660 0.003 0.000 0.150 109 W C 0.653 177.159 176.519 -0.022 0.000 2.119 109 W CA 0.625 57.985 57.345 0.026 0.000 1.570 109 W CB -0.974 28.555 29.460 0.115 0.000 0.800 109 W HN 0.450 nan 8.180 nan 0.000 0.990 110 L N 4.181 124.859 121.223 -0.908 0.000 2.054 110 L HA -0.335 4.007 4.340 0.003 0.000 0.240 110 L C 2.025 178.254 176.870 -1.070 0.000 1.107 110 L CA 4.310 58.218 54.840 -1.554 0.000 0.833 110 L CB -1.980 39.670 42.059 -0.682 0.000 0.929 110 L HN 0.524 nan 8.230 nan 0.000 0.447 111 N N 0.516 118.879 118.700 -0.563 0.000 2.231 111 N HA -0.301 4.441 4.740 0.003 0.000 0.199 111 N C 0.652 175.958 175.510 -0.340 0.000 0.965 111 N CA 2.130 54.973 53.050 -0.345 0.000 0.919 111 N CB -1.492 36.865 38.487 -0.217 0.000 1.067 111 N HN 0.876 nan 8.380 nan 0.000 0.583 112 D N -0.992 119.168 120.400 -0.399 0.000 2.456 112 D HA 0.282 4.923 4.640 0.003 0.000 0.287 112 D C -2.385 173.778 176.300 -0.229 0.000 1.186 112 D CA -1.976 51.885 54.000 -0.232 0.000 0.916 112 D CB 1.367 42.152 40.800 -0.025 0.000 1.029 112 D HN 0.024 nan 8.370 nan 0.000 0.498 113 P HA -0.306 nan 4.420 nan 0.000 0.220 113 P C 1.238 178.687 177.300 0.248 0.000 1.136 113 P CA 2.663 65.892 63.100 0.214 0.000 0.910 113 P CB -0.234 31.391 31.700 -0.126 0.000 0.574 114 T N -4.358 110.242 114.554 0.077 0.000 12.818 114 T HA -0.321 4.031 4.350 0.003 0.000 0.419 114 T C 0.282 174.854 174.700 -0.214 0.000 1.441 114 T CA 2.317 64.275 62.100 -0.236 0.000 2.373 114 T CB -2.624 65.791 68.868 -0.755 0.000 2.831 114 T HN 0.853 nan 8.240 nan 0.000 0.727 115 H N 1.763 120.920 119.070 0.146 0.000 2.840 115 H HA 0.784 5.342 4.556 0.003 0.000 0.340 115 H C -0.310 175.101 175.328 0.139 0.000 1.004 115 H CA -0.997 55.111 56.048 0.100 0.000 1.288 115 H CB 0.894 30.701 29.762 0.074 0.000 1.607 115 H HN 0.683 nan 8.280 nan 0.000 0.522 116 I N 1.696 122.383 120.570 0.194 0.000 6.880 116 I HA 0.051 4.223 4.170 0.003 0.000 0.144 116 I C 0.063 176.236 176.117 0.093 0.000 1.832 116 I CA 0.832 62.242 61.300 0.184 0.000 2.037 116 I CB -1.013 37.153 38.000 0.276 0.000 3.559 116 I HN 1.134 nan 8.210 nan 0.000 0.169 117 G N 6.252 115.014 108.800 -0.062 0.000 2.660 117 G HA2 0.848 4.810 3.960 0.003 0.000 0.290 117 G HA3 0.848 4.810 3.960 0.003 0.000 0.290 117 G C -3.058 171.676 174.900 -0.277 0.000 1.432 117 G CA -0.994 43.910 45.100 -0.327 0.000 0.807 117 G HN 0.299 nan 8.290 nan 0.000 0.485 118 P HA 0.096 nan 4.420 nan 0.000 0.275 118 P C -0.064 177.025 177.300 -0.351 0.000 1.195 118 P CA 0.660 63.295 63.100 -0.775 0.000 0.779 118 P CB 0.542 31.719 31.700 -0.872 0.000 0.793 119 S N -0.541 114.956 115.700 -0.339 0.000 2.551 119 S HA 0.483 4.954 4.470 0.003 0.000 0.325 119 S C -0.310 174.558 174.600 0.447 0.000 0.963 119 S CA 0.056 58.334 58.200 0.130 0.000 0.876 119 S CB -0.204 63.159 63.200 0.272 0.000 1.132 119 S HN 0.552 nan 8.310 nan 0.000 0.458 120 A N 3.954 126.962 122.820 0.313 0.000 2.498 120 A HA 0.520 4.842 4.320 0.003 0.000 0.238 120 A C 0.286 178.139 177.584 0.448 0.000 1.225 120 A CA 0.045 52.370 52.037 0.480 0.000 0.978 120 A CB 0.368 19.616 19.000 0.414 0.000 1.142 120 A HN 0.670 nan 8.150 nan 0.000 0.552 121 Q N 0.153 120.055 119.800 0.170 0.000 2.305 121 Q HA 0.572 4.914 4.340 0.003 0.000 0.271 121 Q C -2.010 173.830 176.000 -0.267 0.000 1.046 121 Q CA -0.423 55.344 55.803 -0.060 0.000 0.798 121 Q CB 2.599 31.300 28.738 -0.061 0.000 1.286 121 Q HN 0.335 nan 8.270 nan 0.000 0.435 122 V N 3.755 123.345 119.914 -0.539 0.000 2.735 122 V HA 0.816 4.937 4.120 0.003 0.000 0.310 122 V C -1.643 174.155 176.094 -0.493 0.000 1.061 122 V CA -0.467 61.523 62.300 -0.516 0.000 0.913 122 V CB 1.951 33.394 31.823 -0.633 0.000 1.005 122 V HN 0.594 nan 8.190 nan 0.000 0.428 123 V N 6.805 126.517 119.914 -0.337 0.000 2.604 123 V HA 0.576 4.697 4.120 0.003 0.000 0.305 123 V C -0.459 175.556 176.094 -0.133 0.000 1.043 123 V CA -0.737 61.418 62.300 -0.243 0.000 0.888 123 V CB 1.722 33.467 31.823 -0.130 0.000 0.995 123 V HN 1.019 nan 8.190 nan 0.000 0.429 124 W N 6.014 127.264 121.300 -0.083 0.000 2.456 124 W HA 0.143 4.805 4.660 0.003 0.000 0.343 124 W C -1.662 174.823 176.519 -0.056 0.000 1.211 124 W CA -0.816 56.495 57.345 -0.057 0.000 1.353 124 W CB 0.014 29.452 29.460 -0.036 0.000 1.189 124 W HN 0.525 nan 8.180 nan 0.000 0.587 125 P HA 0.032 nan 4.420 nan 0.000 0.244 125 P C 0.442 177.775 177.300 0.056 0.000 1.632 125 P CA 0.170 63.331 63.100 0.101 0.000 0.944 125 P CB 0.008 31.765 31.700 0.096 0.000 1.569 126 I N 2.397 123.002 120.570 0.059 0.000 2.634 126 I HA -0.106 4.065 4.170 0.003 0.000 0.284 126 I C 1.829 177.945 176.117 -0.002 0.000 1.124 126 I CA 0.595 61.902 61.300 0.012 0.000 1.417 126 I CB 1.242 39.245 38.000 0.006 0.000 1.396 126 I HN -0.067 nan 8.210 nan 0.000 0.571 127 V N 4.333 124.237 119.914 -0.016 0.000 2.164 127 V HA -0.306 3.815 4.120 0.003 0.000 0.096 127 V C 0.739 176.816 176.094 -0.030 0.000 0.463 127 V CA 1.139 63.424 62.300 -0.025 0.000 1.355 127 V CB -2.745 29.059 31.823 -0.030 0.000 1.598 127 V HN 1.885 nan 8.190 nan 0.000 0.903 128 G N -1.178 107.607 108.800 -0.024 0.000 2.520 128 G HA2 -0.170 3.792 3.960 0.003 0.000 0.264 128 G HA3 -0.170 3.792 3.960 0.003 0.000 0.264 128 G C 0.065 174.943 174.900 -0.037 0.000 1.140 128 G CA 0.381 45.461 45.100 -0.034 0.000 1.012 128 G HN 0.773 nan 8.290 nan 0.000 0.511 129 Q N 0.008 119.794 119.800 -0.023 0.000 2.042 129 Q HA 0.026 4.367 4.340 0.003 0.000 0.194 129 Q C 2.328 178.300 176.000 -0.046 0.000 0.978 129 Q CA 1.546 57.332 55.803 -0.029 0.000 0.828 129 Q CB -0.307 28.433 28.738 0.004 0.000 0.901 129 Q HN 0.722 nan 8.270 nan 0.000 0.461 130 E N 0.946 121.123 120.200 -0.038 0.000 3.079 130 E HA -0.318 4.033 4.350 0.003 0.000 0.208 130 E C 1.851 178.408 176.600 -0.072 0.000 0.922 130 E CA 2.386 58.754 56.400 -0.053 0.000 1.679 130 E CB -1.895 27.783 29.700 -0.038 0.000 1.651 130 E HN 0.639 nan 8.360 nan 0.000 0.398 131 I N -0.711 119.823 120.570 -0.060 0.000 2.597 131 I HA -0.209 3.962 4.170 0.003 0.000 0.262 131 I C 2.656 178.728 176.117 -0.076 0.000 1.194 131 I CA 1.395 62.659 61.300 -0.060 0.000 1.437 131 I CB -0.403 37.570 38.000 -0.046 0.000 1.096 131 I HN 0.077 nan 8.210 nan 0.000 0.451 132 L N 1.720 122.890 121.223 -0.089 0.000 2.083 132 L HA -0.142 4.200 4.340 0.003 0.000 0.209 132 L C 0.638 177.433 176.870 -0.125 0.000 1.083 132 L CA 1.077 55.850 54.840 -0.112 0.000 0.752 132 L CB -0.842 41.146 42.059 -0.119 0.000 0.899 132 L HN 0.577 nan 8.230 nan 0.000 0.433 133 N N 0.822 119.439 118.700 -0.137 0.000 2.402 133 N HA 0.167 4.909 4.740 0.003 0.000 0.252 133 N C 0.520 175.942 175.510 -0.146 0.000 1.118 133 N CA 0.182 53.127 53.050 -0.175 0.000 0.945 133 N CB 0.622 38.964 38.487 -0.241 0.000 1.147 133 N HN 0.083 nan 8.380 nan 0.000 0.495 134 G N 1.901 110.625 108.800 -0.126 0.000 2.190 134 G HA2 0.113 4.074 3.960 0.003 0.000 0.295 134 G HA3 0.113 4.074 3.960 0.003 0.000 0.295 134 G C -0.736 174.112 174.900 -0.086 0.000 1.507 134 G CA 0.447 45.495 45.100 -0.087 0.000 1.034 134 G HN 0.863 nan 8.290 nan 0.000 0.483 135 D N -2.828 117.539 120.400 -0.055 0.000 2.686 135 D HA 0.339 4.981 4.640 0.003 0.000 0.229 135 D C -0.645 175.658 176.300 0.005 0.000 1.391 135 D CA -0.393 53.586 54.000 -0.034 0.000 0.948 135 D CB 0.115 40.898 40.800 -0.029 0.000 1.513 135 D HN 0.883 nan 8.370 nan 0.000 0.522 136 V N -0.789 119.140 119.914 0.026 0.000 4.275 136 V HA 0.797 4.919 4.120 0.003 0.000 0.316 136 V C 0.392 176.533 176.094 0.078 0.000 1.010 136 V CA -0.187 62.139 62.300 0.042 0.000 1.561 136 V CB 0.696 32.526 31.823 0.011 0.000 0.642 136 V HN 0.793 nan 8.190 nan 0.000 0.477 137 G N -0.207 108.678 108.800 0.141 0.000 4.417 137 G HA2 0.610 4.572 3.960 0.003 0.000 0.221 137 G HA3 0.610 4.572 3.960 0.003 0.000 0.221 137 G C 0.695 175.744 174.900 0.250 0.000 1.003 137 G CA 0.469 45.693 45.100 0.207 0.000 0.832 137 G HN 2.119 nan 8.290 nan 0.000 0.356 138 G N -0.122 108.800 108.800 0.202 0.000 2.970 138 G HA2 0.418 4.380 3.960 0.003 0.000 0.249 138 G HA3 0.418 4.380 3.960 0.003 0.000 0.249 138 G C 1.103 176.104 174.900 0.167 0.000 1.113 138 G CA 0.810 46.016 45.100 0.177 0.000 1.119 138 G HN 2.031 nan 8.290 nan 0.000 0.552 139 G N -0.818 108.078 108.800 0.161 0.000 2.198 139 G HA2 -0.058 3.904 3.960 0.003 0.000 0.257 139 G HA3 -0.058 3.904 3.960 0.003 0.000 0.257 139 G C 0.124 175.203 174.900 0.298 0.000 1.042 139 G CA 0.637 45.834 45.100 0.163 0.000 0.791 139 G HN 1.799 nan 8.290 nan 0.000 0.502 140 F N 0.455 120.446 119.950 0.069 0.000 2.585 140 F HA 0.531 5.059 4.527 0.003 0.000 0.319 140 F C 0.600 176.427 175.800 0.044 0.000 1.165 140 F CA -1.650 56.392 58.000 0.070 0.000 0.949 140 F CB 1.196 40.263 39.000 0.111 0.000 1.218 140 F HN 0.288 nan 8.300 nan 0.000 0.453 141 R N 3.882 124.253 120.500 -0.215 0.000 2.438 141 R HA 0.795 5.137 4.340 0.003 0.000 0.287 141 R C -0.383 175.568 176.300 -0.582 0.000 1.077 141 R CA -0.205 55.713 56.100 -0.303 0.000 1.034 141 R CB 1.107 31.287 30.300 -0.200 0.000 0.993 141 R HN 0.773 nan 8.270 nan 0.000 0.459 142 G N 2.449 111.035 108.800 -0.357 0.000 2.368 142 G HA2 0.139 4.101 3.960 0.003 0.000 0.301 142 G HA3 0.139 4.101 3.960 0.003 0.000 0.301 142 G C -1.477 173.310 174.900 -0.188 0.000 1.640 142 G CA -0.977 43.912 45.100 -0.352 0.000 0.941 142 G HN 0.658 nan 8.290 nan 0.000 0.695 143 I N 1.706 122.177 120.570 -0.164 0.000 2.598 143 I HA 0.197 4.369 4.170 0.003 0.000 0.284 143 I C 0.691 176.754 176.117 -0.089 0.000 1.140 143 I CA -0.010 61.221 61.300 -0.115 0.000 1.420 143 I CB 1.068 38.997 38.000 -0.118 0.000 1.387 143 I HN 0.683 nan 8.210 nan 0.000 0.553 144 Q N 7.106 126.854 119.800 -0.086 0.000 2.454 144 Q HA 0.250 4.591 4.340 0.003 0.000 0.247 144 Q C -0.653 175.257 176.000 -0.150 0.000 1.028 144 Q CA -0.229 55.508 55.803 -0.111 0.000 0.910 144 Q CB 1.187 29.854 28.738 -0.119 0.000 1.276 144 Q HN 0.722 nan 8.270 nan 0.000 0.489 145 I N -0.082 120.353 120.570 -0.225 0.000 2.418 145 I HA 0.436 4.608 4.170 0.003 0.000 0.287 145 I C -0.719 175.215 176.117 -0.306 0.000 1.008 145 I CA -0.540 60.605 61.300 -0.258 0.000 1.104 145 I CB 2.026 39.867 38.000 -0.265 0.000 1.264 145 I HN 0.464 nan 8.210 nan 0.000 0.438 146 T N 2.017 116.422 114.554 -0.248 0.000 2.794 146 T HA 0.750 5.101 4.350 0.003 0.000 0.280 146 T C -0.176 174.398 174.700 -0.210 0.000 0.987 146 T CA -0.550 61.414 62.100 -0.228 0.000 0.993 146 T CB 1.107 69.855 68.868 -0.200 0.000 0.939 146 T HN 0.964 nan 8.240 nan 0.000 0.449 147 S N 1.587 117.160 115.700 -0.212 0.000 2.964 147 S HA 0.151 4.623 4.470 0.003 0.000 0.878 147 S C 1.132 175.534 174.600 -0.330 0.000 0.634 147 S CA -0.393 57.663 58.200 -0.239 0.000 1.555 147 S CB -1.303 61.722 63.200 -0.292 0.000 1.078 147 S HN 1.710 nan 8.310 nan 0.000 0.757 148 G N 2.827 111.466 108.800 -0.268 0.000 3.725 148 G HA2 -0.181 3.780 3.960 0.003 0.000 0.331 148 G HA3 -0.181 3.780 3.960 0.003 0.000 0.331 148 G C 0.748 175.410 174.900 -0.396 0.000 0.871 148 G CA 1.983 46.896 45.100 -0.311 0.000 0.725 148 G HN 1.420 nan 8.290 nan 0.000 1.346 149 F N -2.693 116.779 119.950 -0.796 0.000 2.550 149 F HA -0.251 4.278 4.527 0.003 0.000 0.715 149 F C 2.063 176.375 175.800 -2.480 0.000 0.486 149 F CA 2.041 59.149 58.000 -1.487 0.000 0.724 149 F CB -1.950 36.306 39.000 -1.239 0.000 1.603 149 F HN 0.240 nan 8.300 nan 0.000 0.270 150 F N 0.781 119.809 119.950 -1.536 0.000 2.085 150 F HA -0.278 4.251 4.527 0.003 0.000 0.299 150 F C 2.508 178.009 175.800 -0.498 0.000 1.096 150 F CA 2.312 59.862 58.000 -0.749 0.000 1.227 150 F CB -1.056 37.762 39.000 -0.303 0.000 0.983 150 F HN 0.271 nan 8.300 nan 0.000 0.482 151 Q N -0.547 119.129 119.800 -0.206 0.000 2.269 151 Q HA 0.019 4.361 4.340 0.003 0.000 0.201 151 Q C 2.560 178.482 176.000 -0.130 0.000 0.946 151 Q CA 0.759 56.551 55.803 -0.017 0.000 0.877 151 Q CB -0.405 28.333 28.738 -0.002 0.000 0.963 151 Q HN 0.438 nan 8.270 nan 0.000 0.472 152 I N -0.155 120.126 120.570 -0.482 0.000 2.353 152 I HA -0.211 3.961 4.170 0.003 0.000 0.248 152 I C 1.833 178.037 176.117 0.146 0.000 1.119 152 I CA 1.169 62.233 61.300 -0.393 0.000 1.417 152 I CB -0.145 37.603 38.000 -0.421 0.000 1.078 152 I HN 0.299 nan 8.210 nan 0.000 0.421 153 W N -0.208 121.192 121.300 0.168 0.000 3.114 153 W HA 0.273 4.934 4.660 0.003 0.000 0.279 153 W C 1.121 177.788 176.519 0.246 0.000 1.277 153 W CA -0.424 57.028 57.345 0.179 0.000 1.630 153 W CB -0.349 29.145 29.460 0.057 0.000 1.087 153 W HN -0.305 nan 8.180 nan 0.000 0.637 154 R N 1.879 122.646 120.500 0.445 0.000 2.391 154 R HA 0.497 4.839 4.340 0.003 0.000 0.310 154 R C -0.055 176.458 176.300 0.355 0.000 1.174 154 R CA 0.846 57.180 56.100 0.391 0.000 1.118 154 R CB 0.449 30.938 30.300 0.315 0.000 1.134 154 R HN 0.309 nan 8.270 nan 0.000 0.524 155 A N 1.806 124.841 122.820 0.358 0.000 1.920 155 A HA -0.089 4.233 4.320 0.003 0.000 0.204 155 A C 1.084 178.858 177.584 0.317 0.000 1.850 155 A CA 0.410 52.674 52.037 0.378 0.000 1.593 155 A CB -0.567 18.802 19.000 0.616 0.000 1.470 155 A HN 0.527 nan 8.150 nan 0.000 0.377 156 S N -0.915 115.009 115.700 0.374 0.000 2.288 156 S HA 0.447 4.919 4.470 0.003 0.000 0.191 156 S C 1.505 176.232 174.600 0.211 0.000 1.028 156 S CA 2.394 60.794 58.200 0.333 0.000 1.030 156 S CB 0.193 63.666 63.200 0.456 0.000 0.932 156 S HN 2.000 nan 8.310 nan 0.000 0.463 157 G N 0.792 109.732 108.800 0.234 0.000 4.386 157 G HA2 0.076 4.038 3.960 0.003 0.000 0.183 157 G HA3 0.076 4.038 3.960 0.003 0.000 0.183 157 G C 0.926 175.922 174.900 0.161 0.000 1.226 157 G CA 0.405 45.592 45.100 0.145 0.000 0.926 157 G HN 0.964 nan 8.290 nan 0.000 0.306 158 I N 0.280 120.931 120.570 0.134 0.000 4.766 158 I HA -0.371 3.801 4.170 0.003 0.000 0.049 158 I C 0.938 177.043 176.117 -0.021 0.000 0.630 158 I CA 3.218 64.561 61.300 0.071 0.000 0.557 158 I CB -2.649 35.395 38.000 0.074 0.000 0.543 158 I HN 2.217 nan 8.210 nan 0.000 0.158 159 T N 1.854 116.361 114.554 -0.079 0.000 0.582 159 T HA 0.069 4.421 4.350 0.003 0.000 0.769 159 T C -0.135 174.399 174.700 -0.277 0.000 0.992 159 T CA 2.186 64.117 62.100 -0.283 0.000 4.053 159 T CB -1.406 67.336 68.868 -0.210 0.000 2.289 159 T HN 2.967 nan 8.240 nan 0.000 0.395 160 S N 3.363 118.832 115.700 -0.386 0.000 2.659 160 S HA -0.041 4.431 4.470 0.003 0.000 0.851 160 S C 0.569 175.005 174.600 -0.273 0.000 0.776 160 S CA 0.714 58.742 58.200 -0.287 0.000 1.591 160 S CB -0.919 62.166 63.200 -0.192 0.000 1.147 160 S HN 0.937 nan 8.310 nan 0.000 0.223 161 E N 3.213 123.248 120.200 -0.274 0.000 2.031 161 E HA -0.070 4.282 4.350 0.003 0.000 0.193 161 E C 1.456 177.932 176.600 -0.207 0.000 0.994 161 E CA 1.436 57.693 56.400 -0.239 0.000 0.800 161 E CB -0.109 29.442 29.700 -0.250 0.000 0.752 161 E HN 0.769 nan 8.360 nan 0.000 0.447 162 L N 1.454 122.520 121.223 -0.261 0.000 4.996 162 L HA -0.202 4.140 4.340 0.003 0.000 0.278 162 L C 1.925 178.862 176.870 0.112 0.000 1.388 162 L CA 0.679 55.409 54.840 -0.183 0.000 0.858 162 L CB -0.272 41.673 42.059 -0.190 0.000 1.371 162 L HN 0.251 nan 8.230 nan 0.000 0.382 163 Q N -0.806 119.023 119.800 0.048 0.000 2.360 163 Q HA 0.043 4.385 4.340 0.003 0.000 0.178 163 Q C 1.520 177.441 176.000 -0.133 0.000 0.673 163 Q CA -0.150 55.624 55.803 -0.048 0.000 0.896 163 Q CB 0.229 28.905 28.738 -0.104 0.000 1.234 163 Q HN 0.572 nan 8.270 nan 0.000 0.416 164 L N 0.058 121.156 121.223 -0.208 0.000 2.592 164 L HA 0.242 4.584 4.340 0.003 0.000 0.227 164 L C 1.677 178.370 176.870 -0.295 0.000 1.127 164 L CA 0.289 54.899 54.840 -0.383 0.000 0.884 164 L CB -0.598 41.048 42.059 -0.690 0.000 1.065 164 L HN 0.279 nan 8.230 nan 0.000 0.457 165 Y N -0.017 120.068 120.300 -0.360 0.000 2.490 165 Y HA 0.018 4.569 4.550 0.003 0.000 0.285 165 Y C 2.319 177.985 175.900 -0.389 0.000 1.117 165 Y CA 0.769 58.593 58.100 -0.459 0.000 1.262 165 Y CB -0.155 38.041 38.460 -0.440 0.000 1.043 165 Y HN 0.263 nan 8.280 nan 0.000 0.553 166 C N 0.697 119.828 119.300 -0.281 0.000 2.576 166 C HA 0.174 4.636 4.460 0.003 0.000 0.267 166 C C 1.881 176.693 174.990 -0.296 0.000 1.364 166 C CA 1.344 60.169 59.018 -0.321 0.000 1.723 166 C CB -1.878 25.787 27.740 -0.124 0.000 1.778 166 C HN 0.681 nan 8.230 nan 0.000 0.572 167 T N -1.094 113.267 114.554 -0.321 0.000 3.043 167 T HA 0.303 4.654 4.350 0.003 0.000 0.272 167 T C 1.596 176.135 174.700 -0.268 0.000 0.990 167 T CA 0.772 62.691 62.100 -0.301 0.000 0.897 167 T CB 0.072 68.754 68.868 -0.311 0.000 1.111 167 T HN 0.491 nan 8.240 nan 0.000 0.529 168 A N 1.118 123.740 122.820 -0.329 0.000 1.968 168 A HA 0.163 4.485 4.320 0.003 0.000 0.217 168 A C 1.880 179.335 177.584 -0.216 0.000 1.169 168 A CA 0.904 52.786 52.037 -0.258 0.000 0.638 168 A CB -0.403 18.269 19.000 -0.547 0.000 0.812 168 A HN 0.630 nan 8.150 nan 0.000 0.446 169 I N -1.342 119.035 120.570 -0.321 0.000 3.030 169 I HA 0.067 4.239 4.170 0.003 0.000 0.270 169 I C 2.407 178.426 176.117 -0.164 0.000 1.211 169 I CA 0.737 61.909 61.300 -0.214 0.000 1.479 169 I CB -0.879 36.958 38.000 -0.272 0.000 1.105 169 I HN 0.249 nan 8.210 nan 0.000 0.447 170 G N 1.528 110.193 108.800 -0.225 0.000 2.450 170 G HA2 -0.171 3.791 3.960 0.003 0.000 0.220 170 G HA3 -0.171 3.791 3.960 0.003 0.000 0.220 170 G C 1.573 176.278 174.900 -0.324 0.000 1.130 170 G CA 1.034 45.973 45.100 -0.269 0.000 0.760 170 G HN 0.529 nan 8.290 nan 0.000 0.557 171 A N -0.938 121.749 122.820 -0.222 0.000 2.382 171 A HA 0.561 4.882 4.320 0.003 0.000 0.228 171 A C 1.912 179.518 177.584 0.036 0.000 1.217 171 A CA 0.499 52.434 52.037 -0.171 0.000 0.923 171 A CB 0.099 19.000 19.000 -0.164 0.000 0.979 171 A HN 0.346 nan 8.150 nan 0.000 0.515 172 L N 0.252 121.519 121.223 0.074 0.000 2.130 172 L HA 0.031 4.373 4.340 0.003 0.000 0.200 172 L C 2.360 179.314 176.870 0.140 0.000 1.075 172 L CA 1.970 56.895 54.840 0.141 0.000 0.768 172 L CB -0.366 41.781 42.059 0.145 0.000 0.933 172 L HN 0.202 nan 8.230 nan 0.000 0.451 173 V N -2.160 117.816 119.914 0.105 0.000 2.261 173 V HA -0.291 3.830 4.120 0.003 0.000 0.246 173 V C 2.443 178.612 176.094 0.125 0.000 1.047 173 V CA 1.989 64.346 62.300 0.095 0.000 1.015 173 V CB -1.871 29.988 31.823 0.060 0.000 0.642 173 V HN 0.475 nan 8.190 nan 0.000 0.446 174 F N 2.186 122.099 119.950 -0.063 0.000 2.244 174 F HA -0.286 4.242 4.527 0.003 0.000 0.301 174 F C 2.196 177.933 175.800 -0.105 0.000 1.050 174 F CA 1.440 59.354 58.000 -0.144 0.000 1.345 174 F CB -0.564 38.252 39.000 -0.308 0.000 1.070 174 F HN 0.233 nan 8.300 nan 0.000 0.519 175 A N 0.057 122.965 122.820 0.146 0.000 1.832 175 A HA 0.064 4.385 4.320 0.003 0.000 0.214 175 A C 2.636 180.354 177.584 0.223 0.000 1.204 175 A CA 1.388 53.697 52.037 0.453 0.000 0.606 175 A CB -1.735 17.528 19.000 0.438 0.000 0.849 175 A HN 0.471 nan 8.150 nan 0.000 0.445 176 G N 0.434 109.325 108.800 0.151 0.000 2.783 176 G HA2 -0.356 3.605 3.960 0.003 0.000 0.225 176 G HA3 -0.356 3.605 3.960 0.003 0.000 0.225 176 G C 1.356 176.322 174.900 0.111 0.000 1.191 176 G CA 1.721 46.881 45.100 0.100 0.000 0.774 176 G HN 0.338 nan 8.290 nan 0.000 0.632 177 L N -0.004 121.273 121.223 0.091 0.000 2.046 177 L HA 0.037 4.379 4.340 0.003 0.000 0.208 177 L C 3.068 179.992 176.870 0.090 0.000 1.077 177 L CA 1.335 56.262 54.840 0.145 0.000 0.747 177 L CB -1.239 40.864 42.059 0.074 0.000 0.896 177 L HN 0.299 nan 8.230 nan 0.000 0.432 178 M N -1.103 118.507 119.600 0.016 0.000 2.159 178 M HA -0.214 4.268 4.480 0.003 0.000 0.263 178 M C 2.177 178.366 176.300 -0.185 0.000 1.063 178 M CA 1.459 56.735 55.300 -0.040 0.000 1.110 178 M CB -0.332 32.297 32.600 0.047 0.000 1.374 178 M HN 0.207 nan 8.290 nan 0.000 0.411 179 L N -0.811 120.378 121.223 -0.057 0.000 2.554 179 L HA -0.041 4.301 4.340 0.003 0.000 0.226 179 L C 1.078 177.963 176.870 0.024 0.000 1.137 179 L CA 0.322 55.102 54.840 -0.101 0.000 0.863 179 L CB -0.114 41.970 42.059 0.041 0.000 0.985 179 L HN 0.056 nan 8.230 nan 0.000 0.451 180 F N -0.156 119.738 119.950 -0.093 0.000 2.777 180 F HA 0.387 4.916 4.527 0.003 0.000 0.291 180 F C 1.254 177.086 175.800 0.053 0.000 1.187 180 F CA -0.124 57.886 58.000 0.017 0.000 1.406 180 F CB -0.234 38.779 39.000 0.022 0.000 0.982 180 F HN 0.077 nan 8.300 nan 0.000 0.509 181 A N -1.058 121.663 122.820 -0.165 0.000 2.287 181 A HA 0.355 4.677 4.320 0.003 0.000 0.214 181 A C 2.301 179.911 177.584 0.043 0.000 1.228 181 A CA 0.619 52.605 52.037 -0.084 0.000 0.939 181 A CB -0.889 17.966 19.000 -0.241 0.000 0.992 181 A HN 0.415 nan 8.150 nan 0.000 0.502 182 G N -0.604 108.062 108.800 -0.223 0.000 2.480 182 G HA2 -0.299 3.662 3.960 0.003 0.000 0.216 182 G HA3 -0.299 3.662 3.960 0.003 0.000 0.216 182 G C 1.362 176.484 174.900 0.369 0.000 1.200 182 G CA 1.159 46.462 45.100 0.340 0.000 0.782 182 G HN 0.611 nan 8.290 nan 0.000 0.554 183 W N 0.082 121.475 121.300 0.155 0.000 2.425 183 W HA 0.076 4.737 4.660 0.003 0.000 0.277 183 W C 2.145 178.718 176.519 0.090 0.000 1.231 183 W CA 0.229 57.662 57.345 0.148 0.000 1.248 183 W CB -0.063 29.524 29.460 0.212 0.000 1.117 183 W HN 0.184 nan 8.180 nan 0.000 0.568 184 F N 2.009 122.055 119.950 0.159 0.000 2.000 184 F HA -0.296 4.232 4.527 0.003 0.000 0.296 184 F C 2.503 178.480 175.800 0.294 0.000 1.159 184 F CA 2.442 60.478 58.000 0.061 0.000 1.183 184 F CB -1.545 37.437 39.000 -0.030 0.000 0.959 184 F HN 0.008 nan 8.300 nan 0.000 0.490 185 H N -1.469 117.319 119.070 -0.469 0.000 3.399 185 H HA -0.018 4.540 4.556 0.003 0.000 0.163 185 H C 1.920 177.233 175.328 -0.024 0.000 1.476 185 H CA 0.714 56.462 56.048 -0.499 0.000 1.604 185 H CB -1.853 27.567 29.762 -0.569 0.000 1.259 185 H HN 0.349 nan 8.280 nan 0.000 0.784 186 Y N 0.613 120.304 120.300 -1.014 0.000 3.039 186 Y HA -0.477 4.075 4.550 0.003 0.000 0.410 186 Y C 2.712 178.500 175.900 -0.187 0.000 1.182 186 Y CA 2.783 60.461 58.100 -0.704 0.000 2.402 186 Y CB -1.522 36.344 38.460 -0.990 0.000 0.602 186 Y HN 0.790 nan 8.280 nan 0.000 0.584 187 H N -1.066 117.719 119.070 -0.474 0.000 2.315 187 H HA 0.183 4.741 4.556 0.003 0.000 0.318 187 H C 0.495 175.614 175.328 -0.348 0.000 1.068 187 H CA 0.200 55.825 56.048 -0.704 0.000 1.465 187 H CB 0.242 29.239 29.762 -1.275 0.000 1.475 187 H HN 0.102 nan 8.280 nan 0.000 0.597 188 K N 1.071 121.473 120.400 0.005 0.000 2.333 188 K HA 0.377 4.698 4.320 0.003 0.000 0.241 188 K C -1.450 175.260 176.600 0.183 0.000 1.193 188 K CA 0.081 56.520 56.287 0.253 0.000 1.142 188 K CB 0.882 33.671 32.500 0.481 0.000 1.731 188 K HN 0.446 nan 8.250 nan 0.000 0.344 189 A N 1.183 124.049 122.820 0.078 0.000 1.628 189 A HA 0.194 4.516 4.320 0.003 0.000 0.233 189 A C -0.380 177.228 177.584 0.040 0.000 2.257 189 A CA -0.687 51.389 52.037 0.065 0.000 2.001 189 A CB -0.810 18.223 19.000 0.054 0.000 0.396 189 A HN 0.477 nan 8.150 nan 0.000 0.915 190 A N 2.925 125.780 122.820 0.057 0.000 2.524 190 A HA 0.523 4.845 4.320 0.003 0.000 0.271 190 A C -2.034 175.645 177.584 0.159 0.000 1.097 190 A CA 0.253 52.362 52.037 0.119 0.000 0.791 190 A CB -0.604 18.445 19.000 0.081 0.000 1.028 190 A HN 0.557 nan 8.150 nan 0.000 0.518 191 P HA 0.280 nan 4.420 nan 0.000 0.301 191 P C -1.130 176.347 177.300 0.295 0.000 1.385 191 P CA -0.723 62.532 63.100 0.259 0.000 0.902 191 P CB 1.071 32.954 31.700 0.306 0.000 0.965 192 K N 3.036 123.621 120.400 0.309 0.000 4.789 192 K HA -0.184 4.138 4.320 0.003 0.000 0.520 192 K C -0.024 176.782 176.600 0.343 0.000 1.309 192 K CA 0.543 57.067 56.287 0.394 0.000 1.141 192 K CB -1.714 31.212 32.500 0.711 0.000 1.885 192 K HN 0.519 nan 8.250 nan 0.000 0.283 193 L N 0.123 121.505 121.223 0.266 0.000 2.537 193 L HA 0.239 4.580 4.340 0.003 0.000 0.224 193 L C 2.309 179.336 176.870 0.262 0.000 1.065 193 L CA 1.238 56.204 54.840 0.211 0.000 0.860 193 L CB -0.320 41.778 42.059 0.064 0.000 1.086 193 L HN 0.638 nan 8.230 nan 0.000 0.482 194 A N 1.309 124.277 122.820 0.247 0.000 1.896 194 A HA -0.228 4.094 4.320 0.003 0.000 0.220 194 A C 1.891 179.647 177.584 0.288 0.000 1.206 194 A CA 2.677 54.831 52.037 0.195 0.000 0.647 194 A CB -1.351 17.700 19.000 0.086 0.000 0.828 194 A HN 0.897 nan 8.150 nan 0.000 0.455 195 W N -2.528 118.811 121.300 0.066 0.000 3.127 195 W HA 0.374 5.036 4.660 0.003 0.000 0.344 195 W C 1.231 177.763 176.519 0.022 0.000 1.151 195 W CA -0.739 56.625 57.345 0.030 0.000 1.765 195 W CB -1.518 27.953 29.460 0.018 0.000 1.085 195 W HN 0.296 nan 8.180 nan 0.000 0.596 196 F N 2.301 122.302 119.950 0.084 0.000 2.118 196 F HA 0.083 4.612 4.527 0.003 0.000 0.293 196 F C 1.536 177.305 175.800 -0.053 0.000 1.102 196 F CA 1.235 59.196 58.000 -0.065 0.000 1.247 196 F CB -0.166 38.795 39.000 -0.064 0.000 1.017 196 F HN -0.126 nan 8.300 nan 0.000 0.475 197 Q N 1.062 121.132 119.800 0.450 0.000 2.313 197 Q HA 0.247 4.588 4.340 0.003 0.000 0.266 197 Q C -0.335 175.727 176.000 0.104 0.000 0.989 197 Q CA 1.062 57.011 55.803 0.243 0.000 0.890 197 Q CB 0.656 29.474 28.738 0.134 0.000 1.200 197 Q HN 0.709 nan 8.270 nan 0.000 0.396 198 D N 1.029 121.448 120.400 0.031 0.000 1.857 198 D HA -0.212 4.430 4.640 0.003 0.000 0.262 198 D C -0.369 175.886 176.300 -0.074 0.000 0.418 198 D CA 0.342 54.334 54.000 -0.013 0.000 0.842 198 D CB -0.870 39.930 40.800 -0.001 0.000 2.741 198 D HN 1.223 nan 8.370 nan 0.000 0.522 199 V N -0.514 119.303 119.914 -0.161 0.000 6.472 199 V HA -0.060 4.062 4.120 0.003 0.000 0.324 199 V C -0.238 175.710 176.094 -0.243 0.000 0.493 199 V CA 2.208 64.364 62.300 -0.240 0.000 0.721 199 V CB -2.408 29.295 31.823 -0.201 0.000 0.485 199 V HN 0.750 nan 8.190 nan 0.000 0.753 200 E N 0.904 120.967 120.200 -0.228 0.000 2.571 200 E HA 0.212 4.564 4.350 0.003 0.000 0.204 200 E C 1.793 178.237 176.600 -0.261 0.000 0.851 200 E CA 0.812 57.078 56.400 -0.225 0.000 1.358 200 E CB -0.108 29.557 29.700 -0.059 0.000 1.327 200 E HN 0.660 nan 8.360 nan 0.000 0.665 201 S N 1.395 116.941 115.700 -0.256 0.000 2.359 201 S HA -0.281 4.191 4.470 0.003 0.000 0.222 201 S C 2.220 176.463 174.600 -0.597 0.000 1.038 201 S CA 2.321 60.261 58.200 -0.434 0.000 1.051 201 S CB -0.303 62.734 63.200 -0.272 0.000 0.944 201 S HN 0.397 nan 8.310 nan 0.000 0.433 202 M N 0.550 119.881 119.600 -0.449 0.000 2.108 202 M HA -0.031 4.451 4.480 0.003 0.000 0.261 202 M C 2.044 177.837 176.300 -0.845 0.000 1.066 202 M CA 1.975 56.944 55.300 -0.551 0.000 1.107 202 M CB -0.617 31.677 32.600 -0.510 0.000 1.356 202 M HN 0.365 nan 8.290 nan 0.000 0.406 203 L N 0.393 121.234 121.223 -0.636 0.000 2.376 203 L HA 0.033 4.374 4.340 0.003 0.000 0.219 203 L C 1.771 178.429 176.870 -0.354 0.000 1.133 203 L CA 1.541 56.046 54.840 -0.559 0.000 0.816 203 L CB -0.649 41.062 42.059 -0.581 0.000 0.933 203 L HN 0.507 nan 8.230 nan 0.000 0.449 204 N N -1.941 116.605 118.700 -0.257 0.000 2.305 204 N HA -0.099 4.642 4.740 0.003 0.000 0.179 204 N C 1.499 177.073 175.510 0.106 0.000 1.019 204 N CA 0.695 53.755 53.050 0.017 0.000 0.869 204 N CB -0.001 38.536 38.487 0.083 0.000 1.000 204 N HN 0.536 nan 8.380 nan 0.000 0.431 205 H N -0.883 118.185 119.070 -0.003 0.000 2.395 205 H HA -0.027 4.531 4.556 0.003 0.000 0.299 205 H C 1.620 177.039 175.328 0.152 0.000 1.070 205 H CA 0.573 56.669 56.048 0.080 0.000 1.356 205 H CB 0.226 30.039 29.762 0.085 0.000 1.401 205 H HN 0.271 nan 8.280 nan 0.000 0.524 206 H N 0.831 119.951 119.070 0.084 0.000 2.265 206 H HA -0.169 4.389 4.556 0.003 0.000 0.295 206 H C 2.407 177.703 175.328 -0.053 0.000 1.084 206 H CA 0.989 57.033 56.048 -0.007 0.000 1.261 206 H CB -0.622 29.099 29.762 -0.069 0.000 1.360 206 H HN 0.179 nan 8.280 nan 0.000 0.487 207 L N -0.019 121.231 121.223 0.046 0.000 1.988 207 L HA -0.319 4.022 4.340 0.003 0.000 0.240 207 L C 2.413 179.353 176.870 0.116 0.000 1.096 207 L CA 1.989 56.817 54.840 -0.020 0.000 0.827 207 L CB -1.466 40.626 42.059 0.055 0.000 0.916 207 L HN 0.388 nan 8.230 nan 0.000 0.440 208 A N -0.644 122.271 122.820 0.158 0.000 2.213 208 A HA 0.073 4.394 4.320 0.003 0.000 0.192 208 A C 1.957 179.628 177.584 0.144 0.000 1.296 208 A CA 1.451 53.586 52.037 0.163 0.000 0.703 208 A CB -1.568 17.548 19.000 0.193 0.000 0.941 208 A HN 0.582 nan 8.150 nan 0.000 0.517 209 G N -0.732 108.146 108.800 0.130 0.000 3.809 209 G HA2 -0.279 3.683 3.960 0.003 0.000 0.276 209 G HA3 -0.279 3.683 3.960 0.003 0.000 0.276 209 G C 0.616 175.572 174.900 0.095 0.000 0.867 209 G CA 1.672 46.819 45.100 0.079 0.000 0.724 209 G HN 0.791 nan 8.290 nan 0.000 1.380 210 L N 1.413 122.699 121.223 0.105 0.000 2.912 210 L HA 0.413 4.755 4.340 0.003 0.000 0.240 210 L C 1.816 178.705 176.870 0.032 0.000 1.262 210 L CA 0.011 54.888 54.840 0.063 0.000 1.058 210 L CB 0.485 42.568 42.059 0.040 0.000 1.383 210 L HN 0.324 nan 8.230 nan 0.000 0.512 211 L N -1.420 119.833 121.223 0.050 0.000 2.276 211 L HA 0.222 4.564 4.340 0.003 0.000 0.194 211 L C 2.398 179.329 176.870 0.102 0.000 1.099 211 L CA 0.974 55.844 54.840 0.050 0.000 0.800 211 L CB -1.002 41.070 42.059 0.020 0.000 0.994 211 L HN 0.407 nan 8.230 nan 0.000 0.475 212 G N 1.035 109.910 108.800 0.125 0.000 2.499 212 G HA2 -0.263 3.698 3.960 0.003 0.000 0.221 212 G HA3 -0.263 3.698 3.960 0.003 0.000 0.221 212 G C 1.539 176.514 174.900 0.125 0.000 1.109 212 G CA 0.452 45.635 45.100 0.139 0.000 0.749 212 G HN 0.247 nan 8.290 nan 0.000 0.568 213 L N 1.048 122.337 121.223 0.111 0.000 2.265 213 L HA 0.091 4.433 4.340 0.003 0.000 0.215 213 L C 1.708 178.664 176.870 0.143 0.000 1.117 213 L CA 2.077 56.986 54.840 0.116 0.000 0.782 213 L CB -1.229 40.895 42.059 0.109 0.000 0.914 213 L HN 0.193 nan 8.230 nan 0.000 0.441 214 G N -1.092 107.792 108.800 0.140 0.000 3.348 214 G HA2 0.092 4.054 3.960 0.003 0.000 0.180 214 G HA3 0.092 4.054 3.960 0.003 0.000 0.180 214 G C 0.943 175.956 174.900 0.188 0.000 1.915 214 G CA 0.833 46.029 45.100 0.159 0.000 0.937 214 G HN 0.353 nan 8.290 nan 0.000 0.564 215 S N -0.068 115.729 115.700 0.162 0.000 2.052 215 S HA -0.358 4.114 4.470 0.003 0.000 0.516 215 S C 2.457 177.209 174.600 0.254 0.000 0.943 215 S CA 3.718 62.027 58.200 0.182 0.000 3.205 215 S CB -1.136 62.166 63.200 0.170 0.000 2.252 215 S HN 1.138 nan 8.310 nan 0.000 0.554 216 L N 1.275 122.625 121.223 0.211 0.000 2.127 216 L HA 0.221 4.563 4.340 0.003 0.000 0.211 216 L C 2.097 179.090 176.870 0.205 0.000 1.089 216 L CA 2.300 57.258 54.840 0.198 0.000 0.757 216 L CB -2.002 40.148 42.059 0.152 0.000 0.899 216 L HN 0.412 nan 8.230 nan 0.000 0.434 217 S N -1.251 114.578 115.700 0.214 0.000 2.767 217 S HA 0.025 4.497 4.470 0.003 0.000 0.253 217 S C 0.779 175.583 174.600 0.339 0.000 1.082 217 S CA -0.482 57.847 58.200 0.215 0.000 1.148 217 S CB -0.871 62.436 63.200 0.178 0.000 0.808 217 S HN 0.677 nan 8.310 nan 0.000 0.466 218 W N 0.173 121.544 121.300 0.118 0.000 2.661 218 W HA 0.282 4.944 4.660 0.003 0.000 0.288 218 W C 1.465 178.096 176.519 0.188 0.000 1.014 218 W CA 0.438 57.859 57.345 0.126 0.000 1.396 218 W CB 0.137 29.639 29.460 0.071 0.000 0.963 218 W HN 0.454 nan 8.180 nan 0.000 0.584 219 A N 1.081 124.041 122.820 0.232 0.000 1.873 219 A HA -0.037 4.284 4.320 0.003 0.000 0.215 219 A C 2.148 179.781 177.584 0.080 0.000 1.186 219 A CA 2.251 54.375 52.037 0.145 0.000 0.616 219 A CB -1.535 17.553 19.000 0.147 0.000 0.823 219 A HN 0.243 nan 8.150 nan 0.000 0.442 220 G N -1.252 107.589 108.800 0.070 0.000 2.469 220 G HA2 -0.345 3.616 3.960 0.003 0.000 0.220 220 G HA3 -0.345 3.616 3.960 0.003 0.000 0.220 220 G C 1.501 176.397 174.900 -0.007 0.000 1.136 220 G CA 1.607 46.707 45.100 -0.000 0.000 0.759 220 G HN 0.781 nan 8.290 nan 0.000 0.562 221 H N -0.933 118.043 119.070 -0.156 0.000 2.299 221 H HA 0.034 4.592 4.556 0.003 0.000 0.302 221 H C 2.641 177.751 175.328 -0.364 0.000 1.078 221 H CA 1.569 57.410 56.048 -0.345 0.000 1.323 221 H CB 0.141 29.428 29.762 -0.790 0.000 1.381 221 H HN 0.197 nan 8.280 nan 0.000 0.498 222 Q N 0.618 120.321 119.800 -0.162 0.000 2.291 222 Q HA -0.079 4.263 4.340 0.003 0.000 0.205 222 Q C 2.349 178.345 176.000 -0.006 0.000 0.970 222 Q CA 1.176 56.936 55.803 -0.072 0.000 0.876 222 Q CB -0.069 28.700 28.738 0.052 0.000 0.935 222 Q HN 0.586 nan 8.270 nan 0.000 0.455 223 V N -2.664 117.278 119.914 0.047 0.000 2.283 223 V HA -0.086 4.036 4.120 0.003 0.000 0.239 223 V C 2.045 178.144 176.094 0.008 0.000 1.035 223 V CA 1.213 63.597 62.300 0.140 0.000 1.018 223 V CB -0.954 31.062 31.823 0.321 0.000 0.658 223 V HN 0.262 nan 8.190 nan 0.000 0.459 224 H N 0.131 119.085 119.070 -0.194 0.000 2.284 224 H HA 0.013 4.570 4.556 0.003 0.000 0.304 224 H C 2.532 177.216 175.328 -1.074 0.000 1.069 224 H CA 1.918 57.684 56.048 -0.470 0.000 1.327 224 H CB 0.148 29.854 29.762 -0.094 0.000 1.387 224 H HN 0.353 nan 8.280 nan 0.000 0.498 225 V N 0.679 120.218 119.914 -0.625 0.000 2.223 225 V HA -0.240 3.882 4.120 0.003 0.000 0.244 225 V C 2.466 178.288 176.094 -0.453 0.000 1.045 225 V CA 2.064 63.989 62.300 -0.625 0.000 1.000 225 V CB -0.507 30.786 31.823 -0.884 0.000 0.635 225 V HN 0.350 nan 8.190 nan 0.000 0.445 226 S N -0.224 115.286 115.700 -0.317 0.000 2.325 226 S HA -0.047 4.425 4.470 0.003 0.000 0.214 226 S C 1.942 176.469 174.600 -0.122 0.000 1.031 226 S CA 1.147 59.261 58.200 -0.142 0.000 0.972 226 S CB -0.515 62.675 63.200 -0.015 0.000 0.908 226 S HN 0.337 nan 8.310 nan 0.000 0.453 227 L N 1.917 123.095 121.223 -0.074 0.000 2.030 227 L HA -0.185 4.157 4.340 0.003 0.000 0.222 227 L C -0.775 176.091 176.870 -0.007 0.000 1.082 227 L CA 1.880 56.725 54.840 0.008 0.000 0.785 227 L CB -1.033 41.083 42.059 0.096 0.000 0.895 227 L HN 0.354 nan 8.230 nan 0.000 0.439 228 P HA 0.053 nan 4.420 nan 0.000 0.233 228 P C 1.311 178.153 177.300 -0.763 0.000 1.157 228 P CA 0.741 63.733 63.100 -0.181 0.000 0.876 228 P CB 0.071 31.743 31.700 -0.045 0.000 0.947 229 I N -0.463 119.605 120.570 -0.837 0.000 3.441 229 I HA -0.094 4.077 4.170 0.003 0.000 0.316 229 I C 1.128 176.817 176.117 -0.713 0.000 1.214 229 I CA 0.878 61.480 61.300 -1.164 0.000 1.226 229 I CB -1.282 36.489 38.000 -0.382 0.000 0.993 229 I HN 0.014 nan 8.210 nan 0.000 0.563 230 N N -0.031 118.324 118.700 -0.574 0.000 2.690 230 N HA -0.075 4.667 4.740 0.003 0.000 0.262 230 N C 1.550 176.962 175.510 -0.164 0.000 0.936 230 N CA 0.089 53.001 53.050 -0.231 0.000 0.990 230 N CB -0.041 38.404 38.487 -0.070 0.000 1.677 230 N HN 0.097 nan 8.380 nan 0.000 0.826 231 Q N 0.725 120.456 119.800 -0.115 0.000 2.077 231 Q HA -0.128 4.213 4.340 0.003 0.000 0.206 231 Q C 1.368 177.360 176.000 -0.013 0.000 0.989 231 Q CA 2.175 57.978 55.803 -0.001 0.000 0.853 231 Q CB -0.488 28.307 28.738 0.095 0.000 0.907 231 Q HN 0.562 nan 8.270 nan 0.000 0.418 232 F N -1.482 118.461 119.950 -0.011 0.000 2.811 232 F HA 0.223 4.752 4.527 0.003 0.000 0.301 232 F C 1.223 177.014 175.800 -0.015 0.000 1.151 232 F CA -0.126 57.855 58.000 -0.031 0.000 1.412 232 F CB -0.292 38.677 39.000 -0.052 0.000 1.113 232 F HN 0.142 nan 8.300 nan 0.000 0.579 233 L N 1.547 122.729 121.223 -0.069 0.000 2.270 233 L HA 0.074 4.415 4.340 0.003 0.000 0.210 233 L C 1.097 178.005 176.870 0.063 0.000 1.104 233 L CA 1.142 55.996 54.840 0.024 0.000 0.804 233 L CB -1.247 40.769 42.059 -0.071 0.000 0.937 233 L HN 0.189 nan 8.230 nan 0.000 0.450 234 N N 0.471 119.204 118.700 0.056 0.000 2.680 234 N HA 0.001 4.743 4.740 0.003 0.000 0.197 234 N C 0.782 176.335 175.510 0.072 0.000 1.288 234 N CA 0.829 53.923 53.050 0.073 0.000 0.924 234 N CB 0.309 38.843 38.487 0.077 0.000 1.025 234 N HN 0.455 nan 8.380 nan 0.000 0.447 235 A N -0.830 122.034 122.820 0.074 0.000 1.667 235 A HA 0.563 4.885 4.320 0.003 0.000 0.162 235 A C 1.283 178.899 177.584 0.054 0.000 1.513 235 A CA 0.248 52.320 52.037 0.058 0.000 2.805 235 A CB -0.748 18.281 19.000 0.048 0.000 3.047 235 A HN 0.176 nan 8.150 nan 0.000 1.292 236 G N 0.056 108.885 108.800 0.048 0.000 2.056 236 G HA2 0.147 4.109 3.960 0.003 0.000 0.212 236 G HA3 0.147 4.109 3.960 0.003 0.000 0.212 236 G C 0.665 175.590 174.900 0.041 0.000 1.341 236 G CA 1.564 46.682 45.100 0.030 0.000 1.022 236 G HN 1.633 nan 8.290 nan 0.000 0.460 237 V N 1.514 121.452 119.914 0.039 0.000 5.882 237 V HA -0.210 3.911 4.120 0.003 0.000 0.141 237 V C 1.241 177.350 176.094 0.024 0.000 0.736 237 V CA 1.576 63.905 62.300 0.048 0.000 0.507 237 V CB -1.499 30.443 31.823 0.198 0.000 0.396 237 V HN 0.881 nan 8.190 nan 0.000 0.371 238 D N 5.024 125.414 120.400 -0.017 0.000 2.162 238 D HA 0.136 4.778 4.640 0.003 0.000 0.252 238 D C -0.187 176.075 176.300 -0.063 0.000 1.095 238 D CA 1.351 55.326 54.000 -0.041 0.000 0.928 238 D CB -0.114 40.662 40.800 -0.041 0.000 0.989 238 D HN 0.512 nan 8.370 nan 0.000 0.401 239 P HA 0.258 nan 4.420 nan 0.000 0.311 239 P C 0.477 177.725 177.300 -0.086 0.000 1.351 239 P CA 0.170 63.216 63.100 -0.090 0.000 0.841 239 P CB 0.181 31.828 31.700 -0.089 0.000 2.109 240 K N 0.288 120.633 120.400 -0.091 0.000 2.107 240 K HA -0.193 4.129 4.320 0.003 0.000 0.211 240 K C 0.679 177.225 176.600 -0.090 0.000 1.049 240 K CA 1.628 57.857 56.287 -0.097 0.000 0.927 240 K CB -1.605 30.841 32.500 -0.089 0.000 0.714 240 K HN 0.441 nan 8.250 nan 0.000 0.452 241 E N 1.058 121.209 120.200 -0.082 0.000 1.800 241 E HA 0.064 4.416 4.350 0.003 0.000 0.262 241 E C -0.817 175.734 176.600 -0.082 0.000 1.219 241 E CA -0.092 56.257 56.400 -0.086 0.000 1.051 241 E CB -0.205 29.441 29.700 -0.090 0.000 1.074 241 E HN 0.150 nan 8.360 nan 0.000 0.433 242 I N 3.480 124.005 120.570 -0.075 0.000 2.428 242 I HA 0.216 4.387 4.170 0.003 0.000 0.279 242 I C -2.373 173.729 176.117 -0.025 0.000 1.040 242 I CA -3.226 58.055 61.300 -0.032 0.000 1.171 242 I CB 1.190 39.161 38.000 -0.049 0.000 1.312 242 I HN 0.128 nan 8.210 nan 0.000 0.470 243 P HA -0.043 nan 4.420 nan 0.000 0.188 243 P C -0.601 176.708 177.300 0.015 0.000 1.353 243 P CA -0.137 62.981 63.100 0.031 0.000 1.027 243 P CB -1.001 30.782 31.700 0.138 0.000 1.709 244 L N -0.416 120.716 121.223 -0.153 0.000 2.927 244 L HA -0.108 4.234 4.340 0.003 0.000 0.292 244 L C -1.197 175.545 176.870 -0.214 0.000 1.088 244 L CA -0.125 54.475 54.840 -0.400 0.000 0.969 244 L CB -1.657 39.806 42.059 -0.994 0.000 1.399 244 L HN 0.113 nan 8.230 nan 0.000 0.458 245 P HA -0.290 nan 4.420 nan 0.000 0.223 245 P C 1.408 178.627 177.300 -0.134 0.000 1.153 245 P CA 2.371 65.684 63.100 0.354 0.000 0.853 245 P CB -0.327 31.564 31.700 0.319 0.000 0.777 246 H N -1.568 117.383 119.070 -0.198 0.000 2.371 246 H HA -0.245 4.313 4.556 0.003 0.000 0.274 246 H C 0.980 176.110 175.328 -0.330 0.000 1.152 246 H CA 1.027 56.938 56.048 -0.227 0.000 1.118 246 H CB -0.614 29.080 29.762 -0.113 0.000 1.372 246 H HN 0.296 nan 8.280 nan 0.000 0.466 247 E N -0.234 119.873 120.200 -0.155 0.000 2.855 247 E HA 0.134 4.486 4.350 0.003 0.000 0.259 247 E C 0.591 176.896 176.600 -0.492 0.000 1.390 247 E CA 0.318 56.629 56.400 -0.150 0.000 1.069 247 E CB 0.089 29.840 29.700 0.085 0.000 1.172 247 E HN 0.380 nan 8.360 nan 0.000 0.668 248 F N -3.304 116.674 119.950 0.046 0.000 2.935 248 F HA -0.329 4.200 4.527 0.003 0.000 0.317 248 F C -0.229 175.652 175.800 0.136 0.000 0.699 248 F CA 0.406 58.444 58.000 0.065 0.000 1.127 248 F CB -2.428 36.600 39.000 0.046 0.000 1.491 248 F HN 0.189 nan 8.300 nan 0.000 0.337 249 I N 1.040 121.556 120.570 -0.089 0.000 6.652 249 I HA 0.175 4.346 4.170 0.003 0.000 0.177 249 I C 2.542 178.687 176.117 0.046 0.000 1.020 249 I CA 0.108 61.404 61.300 -0.007 0.000 1.612 249 I CB -1.421 36.503 38.000 -0.126 0.000 1.403 249 I HN 0.245 nan 8.210 nan 0.000 0.575 250 L N 1.327 122.547 121.223 -0.004 0.000 2.125 250 L HA -0.300 4.041 4.340 0.003 0.000 0.234 250 L C 0.975 177.855 176.870 0.017 0.000 1.110 250 L CA 2.518 57.358 54.840 -0.000 0.000 0.832 250 L CB -0.843 41.202 42.059 -0.023 0.000 0.922 250 L HN 0.898 nan 8.230 nan 0.000 0.449 251 N N -1.017 117.692 118.700 0.015 0.000 2.456 251 N HA 0.221 4.962 4.740 0.003 0.000 0.288 251 N C -0.064 175.479 175.510 0.055 0.000 1.059 251 N CA -0.773 52.291 53.050 0.023 0.000 0.946 251 N CB 1.706 40.196 38.487 0.006 0.000 1.150 251 N HN 0.297 nan 8.380 nan 0.000 0.479 252 R N 1.172 121.702 120.500 0.051 0.000 1.906 252 R HA 0.037 4.379 4.340 0.003 0.000 0.186 252 R C 0.730 177.054 176.300 0.040 0.000 1.615 252 R CA 1.050 57.186 56.100 0.061 0.000 1.265 252 R CB -0.670 29.664 30.300 0.056 0.000 0.976 252 R HN 0.898 nan 8.270 nan 0.000 0.487 253 D N -0.229 120.185 120.400 0.024 0.000 3.786 253 D HA -0.315 4.326 4.640 0.003 0.000 0.217 253 D C 1.050 177.356 176.300 0.010 0.000 1.718 253 D CA 2.645 56.655 54.000 0.016 0.000 2.037 253 D CB -1.161 39.644 40.800 0.008 0.000 1.255 253 D HN 0.341 nan 8.370 nan 0.000 0.598 254 L N -0.880 120.351 121.223 0.012 0.000 2.071 254 L HA 0.135 4.476 4.340 0.003 0.000 0.201 254 L C 2.663 179.530 176.870 -0.006 0.000 1.076 254 L CA 0.981 55.821 54.840 0.001 0.000 0.755 254 L CB -0.615 41.454 42.059 0.016 0.000 0.915 254 L HN 0.060 nan 8.230 nan 0.000 0.445 255 L N 0.700 121.920 121.223 -0.005 0.000 2.079 255 L HA -0.149 4.192 4.340 0.003 0.000 0.210 255 L C 2.810 179.650 176.870 -0.050 0.000 1.081 255 L CA 1.924 56.735 54.840 -0.048 0.000 0.752 255 L CB -1.615 40.365 42.059 -0.131 0.000 0.896 255 L HN 0.223 nan 8.230 nan 0.000 0.433 256 A N -0.730 122.076 122.820 -0.023 0.000 1.883 256 A HA -0.287 4.035 4.320 0.003 0.000 0.217 256 A C 2.370 179.952 177.584 -0.004 0.000 1.186 256 A CA 1.791 53.829 52.037 0.002 0.000 0.624 256 A CB -0.658 18.361 19.000 0.032 0.000 0.822 256 A HN 0.427 nan 8.150 nan 0.000 0.444 257 Q N -1.245 118.548 119.800 -0.012 0.000 2.226 257 Q HA -0.026 4.316 4.340 0.003 0.000 0.204 257 Q C 1.074 177.041 176.000 -0.055 0.000 0.975 257 Q CA 0.809 56.596 55.803 -0.026 0.000 0.866 257 Q CB -0.303 28.417 28.738 -0.031 0.000 0.915 257 Q HN 0.604 nan 8.270 nan 0.000 0.440 258 L N -1.328 119.854 121.223 -0.068 0.000 2.946 258 L HA 0.208 4.550 4.340 0.003 0.000 0.189 258 L C -0.594 176.202 176.870 -0.123 0.000 1.249 258 L CA -0.553 54.205 54.840 -0.136 0.000 1.098 258 L CB -0.442 41.540 42.059 -0.128 0.000 2.064 258 L HN 0.148 nan 8.230 nan 0.000 0.522 259 Y N 2.167 122.393 120.300 -0.123 0.000 2.910 259 Y HA -0.047 4.505 4.550 0.003 0.000 0.358 259 Y C -1.703 174.075 175.900 -0.203 0.000 1.293 259 Y CA -0.749 57.250 58.100 -0.169 0.000 1.630 259 Y CB -1.324 36.964 38.460 -0.288 0.000 1.178 259 Y HN 0.454 nan 8.280 nan 0.000 0.550 260 P HA 0.206 nan 4.420 nan 0.000 0.318 260 P C 0.069 177.332 177.300 -0.061 0.000 1.309 260 P CA 0.197 63.283 63.100 -0.023 0.000 0.736 260 P CB 1.119 32.802 31.700 -0.029 0.000 1.440 261 S N -5.409 110.236 115.700 -0.092 0.000 4.054 261 S HA 0.018 4.489 4.470 0.003 0.000 0.092 261 S C 0.147 174.464 174.600 -0.471 0.000 0.837 261 S CA -0.502 57.495 58.200 -0.339 0.000 1.266 261 S CB -1.919 61.180 63.200 -0.169 0.000 0.808 261 S HN 0.383 nan 8.310 nan 0.000 0.746 262 F N 1.987 121.759 119.950 -0.297 0.000 1.953 262 F HA -0.193 4.336 4.527 0.003 0.000 0.174 262 F C 0.770 176.511 175.800 -0.099 0.000 0.999 262 F CA 0.580 58.473 58.000 -0.178 0.000 0.691 262 F CB -0.095 38.825 39.000 -0.133 0.000 0.923 262 F HN 0.651 nan 8.300 nan 0.000 0.748 263 A N 6.021 128.833 122.820 -0.013 0.000 3.173 263 A HA 0.307 4.628 4.320 0.003 0.000 0.304 263 A C 0.379 177.876 177.584 -0.145 0.000 1.318 263 A CA -0.333 51.725 52.037 0.035 0.000 1.069 263 A CB -0.054 19.001 19.000 0.091 0.000 1.147 263 A HN 0.661 nan 8.150 nan 0.000 0.547 264 E N 0.244 120.301 120.200 -0.239 0.000 3.655 264 E HA 0.305 4.656 4.350 0.003 0.000 0.280 264 E C 0.551 177.115 176.600 -0.061 0.000 1.425 264 E CA -0.176 56.101 56.400 -0.205 0.000 1.341 264 E CB 0.272 29.811 29.700 -0.268 0.000 1.349 264 E HN 0.211 nan 8.360 nan 0.000 0.775 265 G N -0.681 108.081 108.800 -0.063 0.000 3.943 265 G HA2 0.467 4.429 3.960 0.003 0.000 0.275 265 G HA3 0.467 4.429 3.960 0.003 0.000 0.275 265 G C -0.438 174.435 174.900 -0.046 0.000 1.234 265 G CA 0.111 45.187 45.100 -0.040 0.000 1.522 265 G HN 0.575 nan 8.290 nan 0.000 0.636 266 A N 0.518 123.333 122.820 -0.009 0.000 2.626 266 A HA 0.525 4.847 4.320 0.003 0.000 0.293 266 A C -0.112 177.529 177.584 0.095 0.000 1.111 266 A CA -0.384 51.639 52.037 -0.024 0.000 0.874 266 A CB 0.214 19.185 19.000 -0.049 0.000 1.451 266 A HN 0.546 nan 8.150 nan 0.000 0.396 267 T N 3.315 117.928 114.554 0.099 0.000 2.738 267 T HA 0.510 4.861 4.350 0.003 0.000 0.294 267 T C -2.225 172.677 174.700 0.337 0.000 0.914 267 T CA -1.439 60.818 62.100 0.262 0.000 1.052 267 T CB 0.050 68.972 68.868 0.090 0.000 0.897 267 T HN 0.398 nan 8.240 nan 0.000 0.522 268 P HA 0.223 nan 4.420 nan 0.000 0.282 268 P C 0.193 177.788 177.300 0.492 0.000 1.262 268 P CA -0.246 63.085 63.100 0.386 0.000 0.773 268 P CB 0.128 32.023 31.700 0.325 0.000 0.879 269 F N 2.089 122.039 119.950 0.001 0.000 1.553 269 F HA -0.253 4.276 4.527 0.003 0.000 0.378 269 F C 0.470 176.021 175.800 -0.416 0.000 0.531 269 F CA 0.074 57.842 58.000 -0.387 0.000 2.387 269 F CB -2.582 36.039 39.000 -0.632 0.000 3.220 269 F HN 0.165 nan 8.300 nan 0.000 0.224 270 F N 3.089 122.596 119.950 -0.738 0.000 2.126 270 F HA 0.147 4.675 4.527 0.003 0.000 0.299 270 F C 0.961 176.522 175.800 -0.399 0.000 1.096 270 F CA 2.653 60.304 58.000 -0.582 0.000 1.255 270 F CB -0.160 38.664 39.000 -0.294 0.000 0.997 270 F HN 0.120 nan 8.300 nan 0.000 0.479 271 T N 2.839 117.300 114.554 -0.156 0.000 3.428 271 T HA 0.248 4.599 4.350 0.003 0.000 0.301 271 T C 0.022 174.731 174.700 0.015 0.000 1.323 271 T CA -0.322 61.687 62.100 -0.153 0.000 1.647 271 T CB 0.483 69.285 68.868 -0.110 0.000 0.871 271 T HN 0.299 nan 8.240 nan 0.000 0.627 272 L N 1.389 122.628 121.223 0.027 0.000 4.496 272 L HA -0.194 4.147 4.340 0.003 0.000 0.419 272 L C 0.349 177.396 176.870 0.295 0.000 1.139 272 L CA 0.547 55.549 54.840 0.270 0.000 0.975 272 L CB -0.867 41.348 42.059 0.260 0.000 2.099 272 L HN 0.470 nan 8.230 nan 0.000 0.818 273 N N -0.361 118.498 118.700 0.265 0.000 2.449 273 N HA -0.064 4.678 4.740 0.003 0.000 0.191 273 N C 1.280 177.012 175.510 0.370 0.000 1.161 273 N CA 0.323 53.536 53.050 0.272 0.000 0.863 273 N CB -0.087 38.533 38.487 0.223 0.000 0.980 273 N HN 0.456 nan 8.380 nan 0.000 0.458 274 W N 1.648 123.126 121.300 0.297 0.000 2.262 274 W HA -0.373 4.288 4.660 0.003 0.000 0.349 274 W C 2.312 178.905 176.519 0.123 0.000 1.437 274 W CA 1.543 59.022 57.345 0.224 0.000 1.392 274 W CB -1.290 28.280 29.460 0.184 0.000 1.078 274 W HN 0.108 nan 8.180 nan 0.000 0.470 275 S N -0.455 115.464 115.700 0.365 0.000 2.421 275 S HA -0.303 4.168 4.470 0.003 0.000 0.239 275 S C 1.864 176.556 174.600 0.152 0.000 1.054 275 S CA 2.362 60.675 58.200 0.188 0.000 1.035 275 S CB -0.294 62.991 63.200 0.142 0.000 0.840 275 S HN 0.391 nan 8.310 nan 0.000 0.475 276 K N -1.043 119.457 120.400 0.166 0.000 2.063 276 K HA 0.064 4.386 4.320 0.003 0.000 0.204 276 K C 1.744 178.408 176.600 0.106 0.000 1.039 276 K CA 0.870 57.210 56.287 0.087 0.000 0.957 276 K CB -0.361 32.153 32.500 0.022 0.000 0.764 276 K HN 0.397 nan 8.250 nan 0.000 0.447 277 Y N 1.276 121.667 120.300 0.152 0.000 2.569 277 Y HA -0.159 4.392 4.550 0.003 0.000 0.293 277 Y C 1.775 177.804 175.900 0.216 0.000 1.144 277 Y CA 0.272 58.460 58.100 0.147 0.000 1.321 277 Y CB -0.038 38.463 38.460 0.068 0.000 0.982 277 Y HN 0.281 nan 8.280 nan 0.000 0.558 278 A N 0.215 123.211 122.820 0.293 0.000 2.546 278 A HA -0.307 4.015 4.320 0.003 0.000 0.190 278 A C 1.814 179.592 177.584 0.323 0.000 1.102 278 A CA 1.901 54.054 52.037 0.194 0.000 0.909 278 A CB -1.062 17.997 19.000 0.100 0.000 0.818 278 A HN 0.526 nan 8.150 nan 0.000 0.557 279 D N -1.927 118.595 120.400 0.203 0.000 4.331 279 D HA -0.264 4.378 4.640 0.003 0.000 0.234 279 D C 0.599 177.017 176.300 0.197 0.000 1.221 279 D CA 2.573 56.695 54.000 0.203 0.000 2.279 279 D CB -1.402 39.527 40.800 0.216 0.000 1.210 279 D HN 0.859 nan 8.370 nan 0.000 0.417 280 F N 0.187 120.049 119.950 -0.148 0.000 2.942 280 F HA 0.523 5.051 4.527 0.003 0.000 0.324 280 F C 0.325 175.954 175.800 -0.284 0.000 1.265 280 F CA -0.733 57.044 58.000 -0.372 0.000 1.255 280 F CB 0.076 38.524 39.000 -0.920 0.000 1.048 280 F HN -0.006 nan 8.300 nan 0.000 0.512 281 L N -0.957 120.037 121.223 -0.382 0.000 3.659 281 L HA 0.196 4.537 4.340 0.003 0.000 0.372 281 L C -0.180 176.604 176.870 -0.144 0.000 1.332 281 L CA -0.322 54.286 54.840 -0.386 0.000 1.045 281 L CB -0.594 41.129 42.059 -0.560 0.000 1.360 281 L HN 0.104 nan 8.230 nan 0.000 0.600 282 T N -1.831 112.671 114.554 -0.088 0.000 2.769 282 T HA 0.381 4.733 4.350 0.003 0.000 0.293 282 T C 0.387 175.132 174.700 0.074 0.000 0.931 282 T CA -0.173 61.934 62.100 0.012 0.000 1.139 282 T CB -0.059 68.813 68.868 0.006 0.000 0.881 282 T HN 0.185 nan 8.240 nan 0.000 0.532 283 F N 2.570 122.602 119.950 0.137 0.000 2.080 283 F HA -0.226 4.303 4.527 0.003 0.000 0.129 283 F C 1.589 177.388 175.800 -0.001 0.000 1.093 283 F CA -0.451 57.614 58.000 0.109 0.000 0.668 283 F CB 0.031 39.140 39.000 0.182 0.000 0.540 283 F HN 0.530 nan 8.300 nan 0.000 0.736 284 R N 1.576 122.171 120.500 0.158 0.000 2.246 284 R HA 0.090 4.432 4.340 0.003 0.000 0.199 284 R C 2.017 178.527 176.300 0.350 0.000 0.984 284 R CA 0.771 56.873 56.100 0.003 0.000 1.015 284 R CB -0.802 29.131 30.300 -0.612 0.000 0.930 284 R HN 0.783 nan 8.270 nan 0.000 0.475 285 G N 0.404 109.461 108.800 0.427 0.000 2.793 285 G HA2 -0.453 3.509 3.960 0.003 0.000 0.334 285 G HA3 -0.453 3.509 3.960 0.003 0.000 0.334 285 G C 1.146 176.255 174.900 0.348 0.000 1.186 285 G CA 1.405 46.699 45.100 0.324 0.000 0.960 285 G HN 0.532 nan 8.290 nan 0.000 0.562 286 G N 1.138 110.129 108.800 0.319 0.000 4.072 286 G HA2 0.221 4.183 3.960 0.003 0.000 0.248 286 G HA3 0.221 4.183 3.960 0.003 0.000 0.248 286 G C 0.777 175.515 174.900 -0.271 0.000 0.856 286 G CA 3.223 48.384 45.100 0.101 0.000 0.713 286 G HN 2.391 nan 8.290 nan 0.000 1.477 287 L N -4.532 116.337 121.223 -0.590 0.000 2.921 287 L HA 0.488 4.829 4.340 0.003 0.000 0.261 287 L C -1.826 174.102 176.870 -1.570 0.000 0.984 287 L CA -0.956 53.123 54.840 -1.268 0.000 0.951 287 L CB 1.229 42.908 42.059 -0.633 0.000 1.495 287 L HN 0.250 nan 8.230 nan 0.000 0.414 288 D N 3.660 123.157 120.400 -1.506 0.000 2.376 288 D HA 0.152 4.793 4.640 0.003 0.000 0.278 288 D C -1.673 174.481 176.300 -0.243 0.000 1.384 288 D CA -0.311 53.308 54.000 -0.634 0.000 1.033 288 D CB 0.977 41.633 40.800 -0.241 0.000 1.102 288 D HN 0.421 nan 8.370 nan 0.000 0.530 289 P HA -0.065 nan 4.420 nan 0.000 0.226 289 P C 0.272 177.570 177.300 -0.003 0.000 1.153 289 P CA 0.474 63.568 63.100 -0.011 0.000 0.777 289 P CB -0.026 31.720 31.700 0.077 0.000 0.794 290 L N -2.288 118.953 121.223 0.030 0.000 2.821 290 L HA 0.468 4.810 4.340 0.003 0.000 0.239 290 L C 0.045 176.881 176.870 -0.057 0.000 1.391 290 L CA -0.132 54.719 54.840 0.018 0.000 1.231 290 L CB -1.854 40.242 42.059 0.063 0.000 1.598 290 L HN -0.141 nan 8.230 nan 0.000 0.428 291 T N -1.445 113.023 114.554 -0.143 0.000 0.679 291 T HA 0.050 4.401 4.350 0.003 0.000 0.761 291 T C 1.077 175.541 174.700 -0.394 0.000 0.989 291 T CA 0.293 62.178 62.100 -0.358 0.000 4.013 291 T CB -0.979 67.454 68.868 -0.726 0.000 2.270 291 T HN 1.075 nan 8.240 nan 0.000 0.397 292 G N 4.182 112.773 108.800 -0.348 0.000 2.988 292 G HA2 0.156 4.118 3.960 0.003 0.000 0.204 292 G HA3 0.156 4.118 3.960 0.003 0.000 0.204 292 G C 2.004 176.710 174.900 -0.324 0.000 1.378 292 G CA 2.323 47.250 45.100 -0.288 0.000 0.781 292 G HN 2.460 nan 8.290 nan 0.000 0.738 293 G N 0.269 108.920 108.800 -0.248 0.000 2.987 293 G HA2 0.035 3.996 3.960 0.003 0.000 0.363 293 G HA3 0.035 3.996 3.960 0.003 0.000 0.363 293 G C 0.559 175.295 174.900 -0.273 0.000 1.224 293 G CA 2.628 47.622 45.100 -0.178 0.000 1.042 293 G HN 2.549 nan 8.290 nan 0.000 0.644 294 L N -5.607 115.373 121.223 -0.404 0.000 4.879 294 L HA 0.327 4.668 4.340 0.003 0.000 0.210 294 L C -0.839 175.779 176.870 -0.421 0.000 1.051 294 L CA -0.800 53.641 54.840 -0.665 0.000 0.880 294 L CB -0.886 40.864 42.059 -0.513 0.000 1.323 294 L HN 1.109 nan 8.230 nan 0.000 0.279 295 W N 2.916 124.186 121.300 -0.050 0.000 2.322 295 W HA 0.566 5.228 4.660 0.003 0.000 0.328 295 W C 1.424 177.902 176.519 -0.069 0.000 1.395 295 W CA -0.494 56.822 57.345 -0.048 0.000 1.267 295 W CB -0.075 29.355 29.460 -0.051 0.000 1.259 295 W HN 0.593 nan 8.180 nan 0.000 0.560 296 L N 2.262 123.582 121.223 0.160 0.000 2.291 296 L HA -0.138 4.204 4.340 0.003 0.000 0.214 296 L C 2.342 179.225 176.870 0.021 0.000 1.120 296 L CA 0.962 55.848 54.840 0.077 0.000 0.799 296 L CB -0.848 41.259 42.059 0.079 0.000 0.925 296 L HN 0.659 nan 8.230 nan 0.000 0.446 297 T N -1.209 113.382 114.554 0.063 0.000 3.098 297 T HA -0.133 4.219 4.350 0.003 0.000 0.266 297 T C 0.580 175.169 174.700 -0.184 0.000 1.145 297 T CA 0.937 62.966 62.100 -0.117 0.000 1.092 297 T CB -0.246 68.558 68.868 -0.106 0.000 0.908 297 T HN 0.132 nan 8.240 nan 0.000 0.526 298 D N -0.074 120.292 120.400 -0.056 0.000 2.980 298 D HA 0.378 5.020 4.640 0.003 0.000 0.333 298 D C 0.081 176.242 176.300 -0.233 0.000 1.356 298 D CA -0.123 53.794 54.000 -0.138 0.000 0.847 298 D CB 0.058 40.953 40.800 0.158 0.000 1.122 298 D HN 0.283 nan 8.370 nan 0.000 0.475 299 I N -0.399 120.006 120.570 -0.275 0.000 4.461 299 I HA 0.215 4.387 4.170 0.003 0.000 0.364 299 I C 1.457 177.390 176.117 -0.305 0.000 1.246 299 I CA 0.176 61.280 61.300 -0.327 0.000 1.230 299 I CB 0.730 38.656 38.000 -0.123 0.000 1.929 299 I HN 0.117 nan 8.210 nan 0.000 0.660 300 A N 0.016 122.689 122.820 -0.245 0.000 1.924 300 A HA -0.073 4.248 4.320 0.003 0.000 0.211 300 A C 2.088 179.605 177.584 -0.112 0.000 1.198 300 A CA 1.424 53.378 52.037 -0.138 0.000 0.657 300 A CB -0.769 18.148 19.000 -0.139 0.000 0.852 300 A HN 0.626 nan 8.150 nan 0.000 0.454 301 H N -1.884 117.016 119.070 -0.284 0.000 2.422 301 H HA -0.256 4.302 4.556 0.003 0.000 0.298 301 H C 1.945 177.108 175.328 -0.276 0.000 1.098 301 H CA 1.945 57.815 56.048 -0.297 0.000 1.315 301 H CB -0.251 29.274 29.762 -0.396 0.000 1.382 301 H HN 0.593 nan 8.280 nan 0.000 0.523 302 H N -0.331 118.538 119.070 -0.335 0.000 2.495 302 H HA -0.031 4.527 4.556 0.003 0.000 0.287 302 H C 0.588 175.877 175.328 -0.065 0.000 1.033 302 H CA 1.349 57.191 56.048 -0.344 0.000 1.307 302 H CB 0.240 29.615 29.762 -0.646 0.000 1.401 302 H HN 0.510 nan 8.280 nan 0.000 0.555 303 H N -1.183 117.898 119.070 0.018 0.000 2.567 303 H HA 0.259 4.816 4.556 0.003 0.000 0.267 303 H C 0.605 175.961 175.328 0.046 0.000 1.148 303 H CA -0.116 55.949 56.048 0.029 0.000 1.031 303 H CB 0.175 30.012 29.762 0.124 0.000 1.691 303 H HN 0.299 nan 8.280 nan 0.000 0.588 304 L N -0.672 120.611 121.223 0.100 0.000 3.217 304 L HA 0.436 4.778 4.340 0.003 0.000 0.288 304 L C 1.366 178.262 176.870 0.042 0.000 1.202 304 L CA 0.249 55.141 54.840 0.086 0.000 1.027 304 L CB 0.524 42.635 42.059 0.086 0.000 1.427 304 L HN 0.243 nan 8.230 nan 0.000 0.600 305 A N -0.355 122.456 122.820 -0.016 0.000 2.042 305 A HA 0.383 4.705 4.320 0.003 0.000 0.204 305 A C 0.839 178.336 177.584 -0.144 0.000 1.712 305 A CA -0.010 51.986 52.037 -0.068 0.000 0.890 305 A CB 0.024 18.965 19.000 -0.098 0.000 1.176 305 A HN 0.118 nan 8.150 nan 0.000 0.573 306 I N 0.990 121.435 120.570 -0.208 0.000 2.455 306 I HA 0.339 4.510 4.170 0.003 0.000 0.303 306 I C 0.779 176.811 176.117 -0.140 0.000 1.180 306 I CA 0.593 61.705 61.300 -0.313 0.000 1.469 306 I CB 0.289 38.072 38.000 -0.361 0.000 1.480 306 I HN 0.463 nan 8.210 nan 0.000 0.669 307 A N 4.338 127.096 122.820 -0.103 0.000 1.790 307 A HA 0.141 4.462 4.320 0.003 0.000 0.174 307 A C 1.014 178.661 177.584 0.105 0.000 2.050 307 A CA 0.018 52.097 52.037 0.070 0.000 1.622 307 A CB -0.031 19.025 19.000 0.094 0.000 1.619 307 A HN 0.395 nan 8.150 nan 0.000 0.280 308 I N 0.015 120.605 120.570 0.033 0.000 4.338 308 I HA 0.318 4.489 4.170 0.003 0.000 0.315 308 I C 0.583 176.714 176.117 0.023 0.000 1.262 308 I CA -0.127 61.209 61.300 0.060 0.000 1.298 308 I CB 0.312 38.351 38.000 0.064 0.000 1.257 308 I HN 0.416 nan 8.210 nan 0.000 0.444 309 L N 1.844 123.030 121.223 -0.062 0.000 2.500 309 L HA 0.054 4.395 4.340 0.003 0.000 0.272 309 L C 0.065 176.901 176.870 -0.057 0.000 1.149 309 L CA 0.424 55.200 54.840 -0.107 0.000 0.897 309 L CB 0.084 42.006 42.059 -0.228 0.000 1.178 309 L HN 0.257 nan 8.230 nan 0.000 0.473 310 F N 2.517 122.456 119.950 -0.018 0.000 2.055 310 F HA -0.261 4.268 4.527 0.003 0.000 0.507 310 F C 0.608 176.414 175.800 0.009 0.000 0.515 310 F CA 1.039 59.044 58.000 0.009 0.000 1.887 310 F CB -1.572 37.444 39.000 0.027 0.000 2.658 310 F HN 0.483 nan 8.300 nan 0.000 0.245 311 L N -0.403 120.920 121.223 0.166 0.000 2.433 311 L HA 0.279 4.621 4.340 0.003 0.000 0.200 311 L C 1.965 178.798 176.870 -0.061 0.000 1.059 311 L CA 0.757 55.657 54.840 0.099 0.000 0.835 311 L CB -0.221 41.909 42.059 0.119 0.000 1.076 311 L HN -0.002 nan 8.230 nan 0.000 0.481 312 I N 0.622 121.111 120.570 -0.135 0.000 2.260 312 I HA -0.045 4.126 4.170 0.003 0.000 0.237 312 I C 2.554 178.298 176.117 -0.621 0.000 1.075 312 I CA 1.325 62.359 61.300 -0.443 0.000 1.376 312 I CB -1.614 36.345 38.000 -0.070 0.000 1.107 312 I HN 0.288 nan 8.210 nan 0.000 0.420 313 A N 0.803 123.500 122.820 -0.205 0.000 2.285 313 A HA -0.071 4.251 4.320 0.003 0.000 0.214 313 A C 1.932 179.497 177.584 -0.032 0.000 1.188 313 A CA 1.505 53.485 52.037 -0.096 0.000 0.707 313 A CB -1.307 17.705 19.000 0.020 0.000 0.771 313 A HN 0.533 nan 8.150 nan 0.000 0.488 314 G N -0.544 108.209 108.800 -0.077 0.000 3.523 314 G HA2 0.393 4.355 3.960 0.003 0.000 0.270 314 G HA3 0.393 4.355 3.960 0.003 0.000 0.270 314 G C -0.097 174.827 174.900 0.040 0.000 1.134 314 G CA 0.086 45.216 45.100 0.050 0.000 0.825 314 G HN 0.834 nan 8.290 nan 0.000 0.534 315 H N -3.427 115.720 119.070 0.128 0.000 2.991 315 H HA 0.693 5.251 4.556 0.003 0.000 0.304 315 H C 0.044 175.347 175.328 -0.041 0.000 1.040 315 H CA -1.138 54.967 56.048 0.094 0.000 1.410 315 H CB 1.722 31.540 29.762 0.094 0.000 1.529 315 H HN -0.025 nan 8.280 nan 0.000 0.509 316 M N 1.416 120.929 119.600 -0.145 0.000 2.151 316 M HA 0.282 4.763 4.480 0.003 0.000 0.382 316 M C -1.299 174.712 176.300 -0.481 0.000 0.861 316 M CA 0.071 55.106 55.300 -0.441 0.000 1.088 316 M CB 0.880 33.035 32.600 -0.742 0.000 2.060 316 M HN 0.527 nan 8.290 nan 0.000 0.695 317 Y N -0.406 119.962 120.300 0.113 0.000 2.534 317 Y HA 0.492 5.044 4.550 0.003 0.000 0.329 317 Y C 1.354 177.311 175.900 0.095 0.000 1.154 317 Y CA -1.351 56.808 58.100 0.099 0.000 1.192 317 Y CB 0.338 38.818 38.460 0.032 0.000 1.275 317 Y HN 0.067 nan 8.280 nan 0.000 0.491 318 R N 0.116 120.741 120.500 0.209 0.000 2.249 318 R HA -0.224 4.118 4.340 0.003 0.000 0.229 318 R C 0.728 177.102 176.300 0.123 0.000 1.104 318 R CA 1.871 58.045 56.100 0.122 0.000 0.876 318 R CB -2.220 28.123 30.300 0.071 0.000 0.871 318 R HN 1.005 nan 8.270 nan 0.000 0.426 319 T N -3.412 111.198 114.554 0.092 0.000 1.373 319 T HA -0.380 3.971 4.350 0.003 0.000 0.770 319 T C 0.929 175.602 174.700 -0.045 0.000 0.997 319 T CA 1.496 63.629 62.100 0.054 0.000 4.056 319 T CB -1.331 67.652 68.868 0.192 0.000 2.302 319 T HN 0.647 nan 8.240 nan 0.000 0.397 320 N N -0.440 118.123 118.700 -0.228 0.000 2.258 320 N HA 0.117 4.859 4.740 0.003 0.000 0.183 320 N C 0.898 176.227 175.510 -0.302 0.000 1.029 320 N CA 0.951 53.723 53.050 -0.463 0.000 0.857 320 N CB 0.100 38.015 38.487 -0.952 0.000 1.008 320 N HN 0.612 nan 8.380 nan 0.000 0.433 321 W N 1.948 123.269 121.300 0.034 0.000 2.423 321 W HA 0.237 4.898 4.660 0.003 0.000 0.447 321 W C 0.931 177.460 176.519 0.017 0.000 0.711 321 W CA -0.075 57.284 57.345 0.023 0.000 2.283 321 W CB -0.883 28.589 29.460 0.021 0.000 0.914 321 W HN 0.275 nan 8.180 nan 0.000 0.641 322 G N 1.721 110.605 108.800 0.140 0.000 2.230 322 G HA2 -0.368 3.594 3.960 0.003 0.000 0.270 322 G HA3 -0.368 3.594 3.960 0.003 0.000 0.270 322 G C -0.075 174.881 174.900 0.092 0.000 0.987 322 G CA 0.608 45.762 45.100 0.090 0.000 0.664 322 G HN 0.355 nan 8.290 nan 0.000 0.539 323 I N 0.682 121.332 120.570 0.134 0.000 2.339 323 I HA 0.744 4.915 4.170 0.003 0.000 0.290 323 I C 0.517 176.714 176.117 0.133 0.000 0.994 323 I CA 0.631 61.999 61.300 0.114 0.000 1.191 323 I CB 1.223 39.281 38.000 0.097 0.000 1.343 323 I HN 0.986 nan 8.210 nan 0.000 0.458 324 G N 4.957 113.832 108.800 0.125 0.000 2.352 324 G HA2 0.219 4.181 3.960 0.003 0.000 0.283 324 G HA3 0.219 4.181 3.960 0.003 0.000 0.283 324 G C -1.624 173.381 174.900 0.175 0.000 1.308 324 G CA -0.771 44.422 45.100 0.154 0.000 0.892 324 G HN 0.711 nan 8.290 nan 0.000 0.504 325 H N -1.904 117.144 119.070 -0.037 0.000 3.043 325 H HA 0.602 5.160 4.556 0.003 0.000 0.302 325 H C 1.540 176.912 175.328 0.073 0.000 1.506 325 H CA 0.469 56.504 56.048 -0.022 0.000 1.282 325 H CB 1.201 30.896 29.762 -0.111 0.000 1.914 325 H HN 0.871 nan 8.280 nan 0.000 0.625 326 G N -0.180 108.733 108.800 0.189 0.000 2.559 326 G HA2 -0.057 3.905 3.960 0.003 0.000 0.216 326 G HA3 -0.057 3.905 3.960 0.003 0.000 0.216 326 G C 0.712 175.680 174.900 0.112 0.000 1.126 326 G CA 1.010 46.170 45.100 0.100 0.000 0.778 326 G HN 0.663 nan 8.290 nan 0.000 0.543 327 I N -1.351 119.326 120.570 0.177 0.000 4.853 327 I HA -0.473 3.699 4.170 0.003 0.000 0.040 327 I C 1.981 178.151 176.117 0.087 0.000 0.633 327 I CA 2.417 63.781 61.300 0.107 0.000 0.423 327 I CB -0.770 37.259 38.000 0.049 0.000 0.450 327 I HN 0.233 nan 8.210 nan 0.000 0.152 328 K N 0.033 120.473 120.400 0.066 0.000 2.424 328 K HA 0.160 4.482 4.320 0.003 0.000 0.198 328 K C 1.056 177.695 176.600 0.065 0.000 1.190 328 K CA 0.734 57.060 56.287 0.065 0.000 0.935 328 K CB -0.202 32.325 32.500 0.045 0.000 1.087 328 K HN 0.323 nan 8.250 nan 0.000 0.524 329 D N 1.248 121.677 120.400 0.048 0.000 2.311 329 D HA -0.198 4.444 4.640 0.003 0.000 0.204 329 D C 1.323 177.645 176.300 0.036 0.000 1.000 329 D CA 1.183 55.203 54.000 0.032 0.000 0.910 329 D CB -0.249 40.558 40.800 0.011 0.000 0.900 329 D HN 0.257 nan 8.370 nan 0.000 0.463 330 I N -0.697 119.909 120.570 0.061 0.000 2.233 330 I HA -0.163 4.008 4.170 0.003 0.000 0.243 330 I C 2.337 178.487 176.117 0.055 0.000 1.093 330 I CA 0.762 62.090 61.300 0.046 0.000 1.380 330 I CB -0.752 37.300 38.000 0.086 0.000 1.067 330 I HN -0.058 nan 8.210 nan 0.000 0.413 331 L N 1.191 122.495 121.223 0.134 0.000 2.017 331 L HA -0.136 4.206 4.340 0.003 0.000 0.208 331 L C 2.439 179.508 176.870 0.331 0.000 1.073 331 L CA 1.429 56.432 54.840 0.271 0.000 0.745 331 L CB -1.303 40.863 42.059 0.179 0.000 0.894 331 L HN 0.373 nan 8.230 nan 0.000 0.432 332 E N 1.554 121.865 120.200 0.185 0.000 2.533 332 E HA -0.118 4.233 4.350 0.003 0.000 0.201 332 E C 1.880 178.590 176.600 0.184 0.000 1.097 332 E CA 0.897 57.391 56.400 0.155 0.000 0.887 332 E CB -0.224 29.517 29.700 0.068 0.000 0.855 332 E HN 0.471 nan 8.360 nan 0.000 0.540 333 A N 1.798 124.746 122.820 0.215 0.000 1.940 333 A HA -0.143 4.179 4.320 0.003 0.000 0.219 333 A C 0.992 178.696 177.584 0.200 0.000 1.176 333 A CA 1.615 53.713 52.037 0.101 0.000 0.631 333 A CB -0.661 18.279 19.000 -0.100 0.000 0.814 333 A HN 0.601 nan 8.150 nan 0.000 0.446 334 H N -4.046 115.059 119.070 0.058 0.000 2.865 334 H HA 0.782 5.340 4.556 0.003 0.000 0.372 334 H C -0.164 175.264 175.328 0.166 0.000 1.173 334 H CA -1.194 54.903 56.048 0.083 0.000 1.147 334 H CB 1.342 31.135 29.762 0.053 0.000 1.805 334 H HN 0.071 nan 8.280 nan 0.000 0.553 335 K N 0.412 120.905 120.400 0.154 0.000 2.572 335 K HA 0.425 4.747 4.320 0.003 0.000 0.234 335 K C -0.102 176.452 176.600 -0.076 0.000 1.374 335 K CA 0.074 56.371 56.287 0.018 0.000 0.771 335 K CB 0.543 33.051 32.500 0.012 0.000 1.738 335 K HN 0.980 nan 8.250 nan 0.000 0.388 336 G N 2.963 111.726 108.800 -0.061 0.000 2.854 336 G HA2 -0.147 3.815 3.960 0.003 0.000 0.686 336 G HA3 -0.147 3.815 3.960 0.003 0.000 0.686 336 G C -2.088 172.699 174.900 -0.187 0.000 1.202 336 G CA -0.272 44.733 45.100 -0.159 0.000 0.878 336 G HN 0.086 nan 8.290 nan 0.000 0.583 337 P HA 0.020 nan 4.420 nan 0.000 0.208 337 P C 1.353 178.622 177.300 -0.053 0.000 1.200 337 P CA 1.513 64.537 63.100 -0.127 0.000 0.924 337 P CB -0.091 31.534 31.700 -0.125 0.000 0.774 338 F N -0.239 119.698 119.950 -0.021 0.000 2.440 338 F HA 0.360 4.889 4.527 0.003 0.000 0.323 338 F C 0.687 176.458 175.800 -0.048 0.000 1.192 338 F CA 0.329 58.315 58.000 -0.024 0.000 1.252 338 F CB -0.960 38.033 39.000 -0.012 0.000 1.214 338 F HN 0.200 nan 8.300 nan 0.000 0.578 339 T N -1.514 113.218 114.554 0.296 0.000 4.543 339 T HA -0.196 4.156 4.350 0.003 0.000 0.313 339 T C 0.532 175.149 174.700 -0.138 0.000 1.051 339 T CA 0.165 62.281 62.100 0.027 0.000 2.160 339 T CB -2.909 65.918 68.868 -0.069 0.000 1.904 339 T HN 1.662 nan 8.240 nan 0.000 0.924 340 G N 0.049 108.820 108.800 -0.049 0.000 2.760 340 G HA2 0.278 4.240 3.960 0.003 0.000 0.236 340 G HA3 0.278 4.240 3.960 0.003 0.000 0.236 340 G C 0.743 175.585 174.900 -0.098 0.000 1.243 340 G CA 0.507 45.566 45.100 -0.067 0.000 0.850 340 G HN 0.721 nan 8.290 nan 0.000 0.595 341 Q N -0.676 119.080 119.800 -0.073 0.000 2.100 341 Q HA -0.337 4.004 4.340 0.003 0.000 0.163 341 Q C 1.638 177.584 176.000 -0.090 0.000 0.618 341 Q CA 2.484 58.250 55.803 -0.063 0.000 1.485 341 Q CB -1.516 27.187 28.738 -0.059 0.000 1.627 341 Q HN 2.329 nan 8.270 nan 0.000 0.824 342 G N 0.433 109.104 108.800 -0.216 0.000 2.514 342 G HA2 -0.316 3.645 3.960 0.003 0.000 0.265 342 G HA3 -0.316 3.645 3.960 0.003 0.000 0.265 342 G C -0.581 173.985 174.900 -0.556 0.000 1.150 342 G CA 0.473 45.241 45.100 -0.552 0.000 0.959 342 G HN 0.481 nan 8.290 nan 0.000 0.556 343 H N 0.631 119.615 119.070 -0.144 0.000 2.351 343 H HA 0.678 5.235 4.556 0.003 0.000 0.232 343 H C 0.199 175.495 175.328 -0.054 0.000 1.452 343 H CA -0.211 55.781 56.048 -0.093 0.000 1.236 343 H CB 0.848 30.526 29.762 -0.140 0.000 1.579 343 H HN 0.458 nan 8.280 nan 0.000 0.535 344 K N 1.178 121.610 120.400 0.053 0.000 2.206 344 K HA 0.458 4.779 4.320 0.003 0.000 0.264 344 K C 0.597 177.206 176.600 0.014 0.000 0.967 344 K CA -0.037 56.277 56.287 0.046 0.000 0.844 344 K CB 1.135 33.638 32.500 0.006 0.000 1.099 344 K HN 0.775 nan 8.250 nan 0.000 0.441 345 G N 4.227 113.041 108.800 0.024 0.000 2.256 345 G HA2 -0.212 3.750 3.960 0.003 0.000 0.272 345 G HA3 -0.212 3.750 3.960 0.003 0.000 0.272 345 G C 0.033 174.915 174.900 -0.029 0.000 1.076 345 G CA 0.046 45.135 45.100 -0.017 0.000 0.882 345 G HN 0.543 nan 8.290 nan 0.000 0.497 346 L N 0.536 121.775 121.223 0.027 0.000 2.559 346 L HA 0.273 4.614 4.340 0.003 0.000 0.274 346 L C 1.359 178.281 176.870 0.087 0.000 1.205 346 L CA -0.067 54.810 54.840 0.061 0.000 0.907 346 L CB -0.135 41.976 42.059 0.085 0.000 1.153 346 L HN 0.410 nan 8.230 nan 0.000 0.490 347 Y N 3.787 124.103 120.300 0.026 0.000 3.050 347 Y HA -0.318 4.234 4.550 0.003 0.000 0.352 347 Y C 1.114 177.024 175.900 0.018 0.000 1.271 347 Y CA 1.106 59.225 58.100 0.031 0.000 1.450 347 Y CB 0.611 39.104 38.460 0.054 0.000 1.297 347 Y HN 0.681 nan 8.280 nan 0.000 0.663 348 E N 1.371 121.914 120.200 0.572 0.000 2.562 348 E HA 0.114 4.465 4.350 0.003 0.000 0.214 348 E C 0.716 177.554 176.600 0.397 0.000 0.979 348 E CA 0.237 56.831 56.400 0.324 0.000 1.002 348 E CB 0.421 30.160 29.700 0.065 0.000 1.048 348 E HN 0.628 nan 8.360 nan 0.000 0.488 349 I N 0.112 120.979 120.570 0.495 0.000 3.526 349 I HA 0.018 4.189 4.170 0.003 0.000 0.294 349 I C 1.274 177.334 176.117 -0.095 0.000 1.229 349 I CA 0.360 61.645 61.300 -0.025 0.000 1.408 349 I CB 0.348 38.199 38.000 -0.248 0.000 1.127 349 I HN 0.064 nan 8.210 nan 0.000 0.439 350 L N 0.754 121.977 121.223 -0.000 0.000 2.137 350 L HA -0.252 4.090 4.340 0.003 0.000 0.213 350 L C 2.289 179.149 176.870 -0.017 0.000 1.085 350 L CA 2.371 57.207 54.840 -0.007 0.000 0.760 350 L CB -1.716 40.394 42.059 0.085 0.000 0.893 350 L HN 0.403 nan 8.230 nan 0.000 0.434 351 T N -2.144 112.422 114.554 0.020 0.000 2.668 351 T HA -0.133 4.219 4.350 0.003 0.000 0.258 351 T C 1.844 176.515 174.700 -0.048 0.000 1.051 351 T CA 1.627 63.728 62.100 0.002 0.000 1.155 351 T CB -0.804 68.082 68.868 0.029 0.000 0.864 351 T HN 0.295 nan 8.240 nan 0.000 0.413 352 T N 1.708 116.198 114.554 -0.106 0.000 2.544 352 T HA -0.076 4.276 4.350 0.003 0.000 0.264 352 T C 1.137 175.443 174.700 -0.657 0.000 1.096 352 T CA 1.633 63.580 62.100 -0.255 0.000 1.181 352 T CB -0.484 68.265 68.868 -0.199 0.000 0.864 352 T HN 0.562 nan 8.240 nan 0.000 0.415 353 S N -0.435 114.786 115.700 -0.799 0.000 2.605 353 S HA 0.349 4.821 4.470 0.003 0.000 0.279 353 S C -0.173 173.851 174.600 -0.960 0.000 1.166 353 S CA -0.320 56.872 58.200 -1.679 0.000 0.975 353 S CB -0.075 62.127 63.200 -1.663 0.000 1.111 353 S HN 0.573 nan 8.310 nan 0.000 0.465 354 W N 2.922 124.156 121.300 -0.111 0.000 2.491 354 W HA -0.437 4.225 4.660 0.003 0.000 0.335 354 W C 1.574 178.019 176.519 -0.124 0.000 1.693 354 W CA 1.918 59.180 57.345 -0.137 0.000 1.699 354 W CB -1.775 27.573 29.460 -0.186 0.000 0.914 354 W HN 0.924 nan 8.180 nan 0.000 0.480 355 H N 0.383 119.559 119.070 0.177 0.000 2.278 355 H HA -0.281 4.277 4.556 0.003 0.000 0.287 355 H C 2.375 177.690 175.328 -0.021 0.000 1.107 355 H CA 2.921 59.037 56.048 0.112 0.000 1.192 355 H CB -0.785 29.110 29.762 0.222 0.000 1.346 355 H HN 0.428 nan 8.280 nan 0.000 0.478 356 A N 0.394 123.273 122.820 0.099 0.000 1.849 356 A HA -0.376 3.945 4.320 0.003 0.000 0.217 356 A C 2.255 179.643 177.584 -0.325 0.000 1.202 356 A CA 2.250 54.182 52.037 -0.174 0.000 0.629 356 A CB -1.143 17.782 19.000 -0.124 0.000 0.834 356 A HN 0.642 nan 8.150 nan 0.000 0.447 357 Q N -0.624 119.067 119.800 -0.182 0.000 2.096 357 Q HA -0.180 4.162 4.340 0.003 0.000 0.208 357 Q C 1.895 177.806 176.000 -0.148 0.000 0.993 357 Q CA 1.877 57.596 55.803 -0.139 0.000 0.862 357 Q CB -0.361 28.335 28.738 -0.070 0.000 0.915 357 Q HN 0.637 nan 8.270 nan 0.000 0.416 358 L N 0.576 121.701 121.223 -0.164 0.000 2.651 358 L HA -0.178 4.164 4.340 0.003 0.000 0.236 358 L C 1.945 178.692 176.870 -0.204 0.000 1.173 358 L CA 0.499 55.174 54.840 -0.275 0.000 0.843 358 L CB -0.113 41.542 42.059 -0.673 0.000 0.964 358 L HN 0.304 nan 8.230 nan 0.000 0.454 359 S N -0.222 115.433 115.700 -0.076 0.000 2.348 359 S HA -0.144 4.328 4.470 0.003 0.000 0.219 359 S C 1.792 176.391 174.600 -0.002 0.000 1.033 359 S CA 1.005 59.212 58.200 0.012 0.000 0.974 359 S CB -0.060 63.137 63.200 -0.004 0.000 0.868 359 S HN 0.327 nan 8.310 nan 0.000 0.459 360 I N 3.082 123.635 120.570 -0.028 0.000 2.151 360 I HA -0.216 3.955 4.170 0.003 0.000 0.243 360 I C 1.342 177.461 176.117 0.003 0.000 1.080 360 I CA 1.360 62.654 61.300 -0.010 0.000 1.339 360 I CB -0.338 37.651 38.000 -0.019 0.000 1.039 360 I HN 0.173 nan 8.210 nan 0.000 0.409 361 N N -0.165 118.532 118.700 -0.004 0.000 2.609 361 N HA -0.081 4.660 4.740 0.003 0.000 0.190 361 N C 1.192 176.712 175.510 0.017 0.000 1.157 361 N CA 0.801 53.856 53.050 0.009 0.000 0.918 361 N CB 0.077 38.573 38.487 0.015 0.000 0.978 361 N HN 0.314 nan 8.380 nan 0.000 0.448 362 L N -0.682 120.554 121.223 0.023 0.000 2.588 362 L HA 0.318 4.660 4.340 0.003 0.000 0.194 362 L C 2.129 179.029 176.870 0.050 0.000 1.070 362 L CA 0.519 55.385 54.840 0.043 0.000 0.852 362 L CB -1.031 41.066 42.059 0.064 0.000 1.199 362 L HN -0.076 nan 8.230 nan 0.000 0.486 363 A N -0.521 122.327 122.820 0.047 0.000 1.917 363 A HA -0.280 4.042 4.320 0.003 0.000 0.219 363 A C 2.241 179.853 177.584 0.047 0.000 1.182 363 A CA 2.404 54.469 52.037 0.047 0.000 0.633 363 A CB -0.541 18.483 19.000 0.040 0.000 0.819 363 A HN 0.332 nan 8.150 nan 0.000 0.448 364 M N -1.214 118.410 119.600 0.040 0.000 2.200 364 M HA -0.085 4.396 4.480 0.003 0.000 0.261 364 M C 1.902 178.226 176.300 0.041 0.000 1.074 364 M CA 1.621 56.944 55.300 0.038 0.000 1.098 364 M CB -0.714 31.904 32.600 0.030 0.000 1.268 364 M HN 0.320 nan 8.290 nan 0.000 0.432 365 L N 0.329 121.574 121.223 0.038 0.000 2.211 365 L HA -0.156 4.186 4.340 0.003 0.000 0.216 365 L C 1.875 178.779 176.870 0.057 0.000 1.092 365 L CA 2.127 56.992 54.840 0.042 0.000 0.767 365 L CB -1.708 40.373 42.059 0.037 0.000 0.894 365 L HN 0.479 nan 8.230 nan 0.000 0.437 366 G N -1.800 107.036 108.800 0.060 0.000 2.910 366 G HA2 -0.325 3.637 3.960 0.003 0.000 0.206 366 G HA3 -0.325 3.637 3.960 0.003 0.000 0.206 366 G C 1.525 176.470 174.900 0.075 0.000 1.406 366 G CA 0.942 46.086 45.100 0.073 0.000 0.816 366 G HN 0.396 nan 8.290 nan 0.000 0.669 367 S N -0.026 115.714 115.700 0.067 0.000 2.407 367 S HA -0.076 4.395 4.470 0.003 0.000 0.235 367 S C 1.882 176.517 174.600 0.058 0.000 1.036 367 S CA 0.431 58.672 58.200 0.068 0.000 1.013 367 S CB -0.279 62.960 63.200 0.064 0.000 0.820 367 S HN 0.218 nan 8.310 nan 0.000 0.476 368 L N 1.890 123.143 121.223 0.049 0.000 2.885 368 L HA 0.077 4.419 4.340 0.003 0.000 0.258 368 L C 0.833 177.740 176.870 0.061 0.000 1.146 368 L CA 1.258 56.121 54.840 0.038 0.000 0.922 368 L CB -1.413 40.665 42.059 0.032 0.000 1.138 368 L HN 0.199 nan 8.230 nan 0.000 0.431 369 T N -1.115 113.487 114.554 0.081 0.000 3.686 369 T HA 0.331 4.683 4.350 0.003 0.000 0.248 369 T C 0.387 175.155 174.700 0.113 0.000 1.090 369 T CA -0.041 62.125 62.100 0.109 0.000 1.659 369 T CB -0.397 68.573 68.868 0.171 0.000 0.780 369 T HN 0.293 nan 8.240 nan 0.000 0.632 370 I N 0.493 121.110 120.570 0.079 0.000 5.306 370 I HA 0.255 4.427 4.170 0.003 0.000 0.380 370 I C 1.163 177.320 176.117 0.067 0.000 1.103 370 I CA 0.350 61.699 61.300 0.081 0.000 1.600 370 I CB 0.013 38.071 38.000 0.096 0.000 2.138 370 I HN 0.148 nan 8.210 nan 0.000 0.707 371 V N 0.476 120.421 119.914 0.051 0.000 2.331 371 V HA 0.014 4.136 4.120 0.003 0.000 0.242 371 V C 2.390 178.491 176.094 0.013 0.000 1.034 371 V CA 1.567 63.900 62.300 0.055 0.000 1.027 371 V CB -1.548 30.261 31.823 -0.024 0.000 0.667 371 V HN 0.331 nan 8.190 nan 0.000 0.457 372 V N 0.498 120.361 119.914 -0.085 0.000 2.490 372 V HA -0.050 4.072 4.120 0.003 0.000 0.250 372 V C 2.775 178.798 176.094 -0.118 0.000 1.061 372 V CA 1.688 63.916 62.300 -0.120 0.000 1.064 372 V CB -1.910 29.831 31.823 -0.137 0.000 0.670 372 V HN 0.625 nan 8.190 nan 0.000 0.461 373 A N 0.030 122.770 122.820 -0.135 0.000 1.836 373 A HA -0.237 4.085 4.320 0.003 0.000 0.212 373 A C 2.180 179.563 177.584 -0.336 0.000 1.243 373 A CA 1.769 53.651 52.037 -0.259 0.000 0.620 373 A CB -1.109 17.806 19.000 -0.141 0.000 0.889 373 A HN 0.430 nan 8.150 nan 0.000 0.463 374 Q N -0.732 118.957 119.800 -0.185 0.000 2.540 374 Q HA -0.258 4.084 4.340 0.003 0.000 0.218 374 Q C 1.450 177.382 176.000 -0.114 0.000 0.990 374 Q CA 1.942 57.708 55.803 -0.061 0.000 0.908 374 Q CB -0.450 28.342 28.738 0.090 0.000 0.937 374 Q HN 0.883 nan 8.270 nan 0.000 0.499 375 H N -2.079 116.871 119.070 -0.201 0.000 2.379 375 H HA 0.127 4.684 4.556 0.003 0.000 0.308 375 H C 1.697 176.871 175.328 -0.257 0.000 1.047 375 H CA 1.112 57.051 56.048 -0.181 0.000 1.371 375 H CB 0.062 29.768 29.762 -0.094 0.000 1.449 375 H HN 0.121 nan 8.280 nan 0.000 0.564 376 M N -0.030 119.502 119.600 -0.114 0.000 2.315 376 M HA -0.215 4.266 4.480 0.003 0.000 0.264 376 M C 2.167 178.399 176.300 -0.114 0.000 1.075 376 M CA 2.062 57.307 55.300 -0.092 0.000 1.093 376 M CB -0.479 32.068 32.600 -0.088 0.000 1.251 376 M HN 0.418 nan 8.290 nan 0.000 0.449 377 Y N 0.331 120.552 120.300 -0.131 0.000 2.132 377 Y HA -0.300 4.251 4.550 0.003 0.000 0.280 377 Y C 1.998 177.895 175.900 -0.005 0.000 1.193 377 Y CA 2.170 60.270 58.100 0.001 0.000 1.157 377 Y CB -1.576 36.918 38.460 0.057 0.000 0.966 377 Y HN 0.338 nan 8.280 nan 0.000 0.511 378 S N 1.052 115.922 115.700 -1.383 0.000 2.400 378 S HA -0.149 4.323 4.470 0.003 0.000 0.232 378 S C 1.077 175.232 174.600 -0.741 0.000 1.025 378 S CA 1.784 59.032 58.200 -1.587 0.000 0.993 378 S CB -0.539 62.120 63.200 -0.902 0.000 0.808 378 S HN 0.745 nan 8.310 nan 0.000 0.478 379 M N -1.439 117.892 119.600 -0.448 0.000 4.445 379 M HA 0.385 4.867 4.480 0.003 0.000 0.516 379 M C -3.263 172.924 176.300 -0.188 0.000 2.177 379 M CA -1.509 53.601 55.300 -0.316 0.000 0.440 379 M CB 0.903 33.285 32.600 -0.362 0.000 1.599 379 M HN -0.320 nan 8.290 nan 0.000 0.571 380 P HA -0.118 nan 4.420 nan 0.000 0.259 380 P C -2.344 174.930 177.300 -0.044 0.000 1.111 380 P CA 0.298 63.369 63.100 -0.048 0.000 0.758 380 P CB -0.134 31.534 31.700 -0.053 0.000 0.693 381 P HA 0.022 nan 4.420 nan 0.000 0.338 381 P C -0.233 177.158 177.300 0.152 0.000 1.428 381 P CA -0.261 62.857 63.100 0.031 0.000 0.867 381 P CB -0.117 31.592 31.700 0.015 0.000 2.125 382 Y N -2.026 118.316 120.300 0.071 0.000 3.214 382 Y HA -0.075 4.477 4.550 0.003 0.000 0.351 382 Y C -1.846 174.123 175.900 0.115 0.000 1.262 382 Y CA -1.521 56.644 58.100 0.108 0.000 1.541 382 Y CB -2.453 36.085 38.460 0.130 0.000 1.211 382 Y HN 0.205 nan 8.280 nan 0.000 0.637 383 P HA 0.156 nan 4.420 nan 0.000 0.271 383 P C -1.433 176.215 177.300 0.579 0.000 1.233 383 P CA 0.214 63.481 63.100 0.278 0.000 0.764 383 P CB 0.061 31.957 31.700 0.326 0.000 0.825 384 Y N 1.680 122.031 120.300 0.085 0.000 2.949 384 Y HA -0.110 4.441 4.550 0.003 0.000 0.077 384 Y C 0.166 176.066 175.900 0.000 0.000 2.493 384 Y CA -0.095 58.041 58.100 0.059 0.000 1.203 384 Y CB -2.074 36.474 38.460 0.148 0.000 1.913 384 Y HN 0.224 nan 8.280 nan 0.000 0.269 385 L N -0.525 120.725 121.223 0.044 0.000 3.358 385 L HA 0.392 4.734 4.340 0.003 0.000 0.169 385 L C 2.243 179.099 176.870 -0.022 0.000 1.158 385 L CA 0.209 55.064 54.840 0.025 0.000 0.861 385 L CB -0.993 41.109 42.059 0.072 0.000 1.597 385 L HN 0.335 nan 8.230 nan 0.000 0.580 386 A N 0.425 123.253 122.820 0.013 0.000 1.893 386 A HA -0.379 3.943 4.320 0.003 0.000 0.222 386 A C 2.242 179.864 177.584 0.063 0.000 1.309 386 A CA 3.424 55.509 52.037 0.079 0.000 0.681 386 A CB -1.565 17.451 19.000 0.025 0.000 0.842 386 A HN 0.492 nan 8.150 nan 0.000 0.468 387 T N -1.174 113.331 114.554 -0.083 0.000 2.759 387 T HA -0.192 4.160 4.350 0.003 0.000 0.269 387 T C 1.687 175.756 174.700 -1.053 0.000 1.042 387 T CA 1.814 63.742 62.100 -0.286 0.000 1.140 387 T CB -0.624 68.144 68.868 -0.166 0.000 0.864 387 T HN 0.567 nan 8.240 nan 0.000 0.455 388 D N 0.396 120.358 120.400 -0.730 0.000 2.327 388 D HA -0.140 4.502 4.640 0.003 0.000 0.205 388 D C 0.285 175.739 176.300 -1.410 0.000 1.036 388 D CA 1.929 55.466 54.000 -0.772 0.000 0.897 388 D CB -0.370 40.224 40.800 -0.343 0.000 1.117 388 D HN 0.694 nan 8.370 nan 0.000 0.471 389 Y N -3.784 116.216 120.300 -0.501 0.000 2.502 389 Y HA -0.174 4.378 4.550 0.003 0.000 0.036 389 Y C 1.037 176.702 175.900 -0.392 0.000 1.697 389 Y CA 0.255 57.941 58.100 -0.690 0.000 1.422 389 Y CB -1.608 35.927 38.460 -1.542 0.000 2.067 389 Y HN 0.396 nan 8.280 nan 0.000 0.253 390 A N -1.170 121.560 122.820 -0.150 0.000 3.420 390 A HA -0.235 4.087 4.320 0.003 0.000 0.269 390 A C 1.199 178.742 177.584 -0.067 0.000 1.122 390 A CA 3.219 55.189 52.037 -0.111 0.000 1.023 390 A CB -2.421 16.473 19.000 -0.177 0.000 1.099 390 A HN 2.528 nan 8.150 nan 0.000 0.860 391 T N -6.002 108.536 114.554 -0.027 0.000 3.515 391 T HA 0.367 4.719 4.350 0.003 0.000 0.306 391 T C 0.661 175.471 174.700 0.182 0.000 0.881 391 T CA 0.868 63.013 62.100 0.074 0.000 0.930 391 T CB 0.080 68.944 68.868 -0.007 0.000 1.206 391 T HN 0.244 nan 8.240 nan 0.000 0.662 392 Q N 0.510 120.444 119.800 0.224 0.000 2.424 392 Q HA 0.421 4.763 4.340 0.003 0.000 0.204 392 Q C 1.283 177.756 176.000 0.788 0.000 0.933 392 Q CA 0.325 56.406 55.803 0.463 0.000 0.929 392 Q CB 0.042 29.066 28.738 0.477 0.000 1.037 392 Q HN 0.661 nan 8.270 nan 0.000 0.511 393 L N -1.349 120.299 121.223 0.707 0.000 2.437 393 L HA 0.269 4.610 4.340 0.003 0.000 0.199 393 L C 1.656 178.837 176.870 0.519 0.000 1.270 393 L CA 1.478 56.756 54.840 0.729 0.000 2.819 393 L CB -1.363 40.932 42.059 0.394 0.000 2.667 393 L HN 0.144 nan 8.230 nan 0.000 1.109 394 S N -0.363 115.568 115.700 0.386 0.000 1.904 394 S HA -0.440 4.032 4.470 0.003 0.000 0.529 394 S C 1.898 176.788 174.600 0.484 0.000 0.923 394 S CA 3.209 61.679 58.200 0.450 0.000 3.320 394 S CB -1.524 61.810 63.200 0.224 0.000 2.316 394 S HN 0.555 nan 8.310 nan 0.000 0.572 395 L N 0.339 121.756 121.223 0.324 0.000 2.169 395 L HA -0.297 4.045 4.340 0.003 0.000 0.244 395 L C 2.164 179.327 176.870 0.489 0.000 1.122 395 L CA 2.759 57.788 54.840 0.314 0.000 0.848 395 L CB -0.946 41.263 42.059 0.251 0.000 0.953 395 L HN 0.711 nan 8.230 nan 0.000 0.447 396 F N 0.026 120.142 119.950 0.278 0.000 2.112 396 F HA -0.449 4.080 4.527 0.003 0.000 0.292 396 F C 2.288 178.206 175.800 0.198 0.000 1.038 396 F CA 1.994 60.086 58.000 0.152 0.000 1.299 396 F CB -0.162 38.782 39.000 -0.093 0.000 1.044 396 F HN 0.544 nan 8.300 nan 0.000 0.498 397 T N -2.907 112.058 114.554 0.686 0.000 3.259 397 T HA -0.074 4.278 4.350 0.003 0.000 0.190 397 T C 1.505 176.569 174.700 0.605 0.000 0.797 397 T CA 1.099 63.567 62.100 0.613 0.000 2.302 397 T CB -1.002 68.298 68.868 0.719 0.000 1.952 397 T HN 0.582 nan 8.240 nan 0.000 0.414 398 H N 0.711 120.168 119.070 0.645 0.000 1.682 398 H HA -0.383 4.174 4.556 0.003 0.000 0.142 398 H C 1.721 177.246 175.328 0.329 0.000 1.197 398 H CA 2.772 59.116 56.048 0.494 0.000 1.770 398 H CB -1.525 28.425 29.762 0.314 0.000 2.113 398 H HN 0.783 nan 8.280 nan 0.000 0.894 399 H N -0.990 118.477 119.070 0.662 0.000 2.601 399 H HA -0.034 4.524 4.556 0.003 0.000 0.289 399 H C 1.719 177.184 175.328 0.228 0.000 1.102 399 H CA 0.653 56.933 56.048 0.386 0.000 1.214 399 H CB -0.011 29.916 29.762 0.275 0.000 1.306 399 H HN 0.495 nan 8.280 nan 0.000 0.635 400 M N -2.538 117.259 119.600 0.328 0.000 2.010 400 M HA 0.029 4.511 4.480 0.003 0.000 0.371 400 M C 0.437 176.773 176.300 0.059 0.000 0.831 400 M CA -0.047 55.359 55.300 0.177 0.000 1.161 400 M CB 0.367 33.078 32.600 0.185 0.000 2.243 400 M HN 0.202 nan 8.290 nan 0.000 0.766 401 W N 1.762 123.137 121.300 0.124 0.000 2.338 401 W HA -0.014 4.648 4.660 0.003 0.000 0.325 401 W C 0.478 176.974 176.519 -0.038 0.000 1.206 401 W CA 0.358 57.687 57.345 -0.025 0.000 1.257 401 W CB -0.210 29.099 29.460 -0.252 0.000 1.184 401 W HN -0.038 nan 8.180 nan 0.000 0.456 402 I N 1.494 122.133 120.570 0.114 0.000 2.849 402 I HA 0.121 4.293 4.170 0.003 0.000 0.288 402 I C 1.086 177.297 176.117 0.157 0.000 1.156 402 I CA 1.789 63.139 61.300 0.085 0.000 1.394 402 I CB -0.923 37.023 38.000 -0.089 0.000 1.462 402 I HN 0.368 nan 8.210 nan 0.000 0.587 403 G N 3.854 112.769 108.800 0.192 0.000 3.714 403 G HA2 -0.097 3.865 3.960 0.003 0.000 0.146 403 G HA3 -0.097 3.865 3.960 0.003 0.000 0.146 403 G C 0.984 175.991 174.900 0.177 0.000 2.286 403 G CA -0.040 45.157 45.100 0.161 0.000 1.218 403 G HN 0.655 nan 8.290 nan 0.000 0.362 404 G N 0.490 109.408 108.800 0.195 0.000 2.604 404 G HA2 0.002 3.964 3.960 0.003 0.000 0.216 404 G HA3 0.002 3.964 3.960 0.003 0.000 0.216 404 G C 1.563 176.666 174.900 0.338 0.000 1.265 404 G CA 1.621 46.854 45.100 0.221 0.000 0.804 404 G HN 0.478 nan 8.290 nan 0.000 0.579 405 F N 0.382 120.465 119.950 0.222 0.000 2.077 405 F HA -0.300 4.228 4.527 0.003 0.000 0.292 405 F C 2.795 178.653 175.800 0.097 0.000 1.120 405 F CA 1.560 59.666 58.000 0.178 0.000 1.246 405 F CB -0.331 38.776 39.000 0.178 0.000 0.941 405 F HN 0.064 nan 8.300 nan 0.000 0.514 406 L N -0.482 120.913 121.223 0.287 0.000 1.970 406 L HA -0.279 4.062 4.340 0.003 0.000 0.212 406 L C 2.380 179.312 176.870 0.103 0.000 1.071 406 L CA 1.151 56.086 54.840 0.158 0.000 0.751 406 L CB -0.637 41.503 42.059 0.135 0.000 0.889 406 L HN 0.313 nan 8.230 nan 0.000 0.432 407 I N 0.235 120.868 120.570 0.104 0.000 2.127 407 I HA -0.201 3.970 4.170 0.003 0.000 0.241 407 I C 1.762 177.913 176.117 0.057 0.000 1.075 407 I CA 1.619 62.965 61.300 0.076 0.000 1.334 407 I CB -0.172 37.872 38.000 0.073 0.000 1.040 407 I HN -0.004 nan 8.210 nan 0.000 0.405 408 V N 2.376 122.328 119.914 0.064 0.000 3.431 408 V HA 0.085 4.207 4.120 0.003 0.000 0.303 408 V C 1.270 177.345 176.094 -0.031 0.000 1.179 408 V CA 0.916 63.234 62.300 0.030 0.000 1.284 408 V CB -1.352 30.509 31.823 0.065 0.000 1.036 408 V HN 0.722 nan 8.190 nan 0.000 0.425 409 G N -1.328 107.456 108.800 -0.027 0.000 4.983 409 G HA2 0.362 4.324 3.960 0.003 0.000 0.209 409 G HA3 0.362 4.324 3.960 0.003 0.000 0.209 409 G C 0.698 175.590 174.900 -0.014 0.000 0.863 409 G CA 0.495 45.551 45.100 -0.072 0.000 0.793 409 G HN 0.414 nan 8.290 nan 0.000 0.341 410 A N 0.647 123.489 122.820 0.038 0.000 1.861 410 A HA 0.635 4.956 4.320 0.003 0.000 0.212 410 A C 2.017 179.676 177.584 0.125 0.000 1.199 410 A CA 1.638 53.735 52.037 0.101 0.000 0.613 410 A CB -0.258 18.791 19.000 0.082 0.000 0.846 410 A HN 1.189 nan 8.150 nan 0.000 0.446 411 A N -0.305 122.560 122.820 0.076 0.000 3.197 411 A HA 0.594 4.915 4.320 0.003 0.000 0.263 411 A C 1.003 178.630 177.584 0.072 0.000 1.524 411 A CA 0.486 52.570 52.037 0.079 0.000 1.176 411 A CB -0.946 18.094 19.000 0.066 0.000 1.096 411 A HN 0.916 nan 8.150 nan 0.000 0.655 412 A N -0.921 121.911 122.820 0.020 0.000 2.387 412 A HA 0.223 4.544 4.320 0.003 0.000 0.234 412 A C 1.261 178.762 177.584 -0.137 0.000 1.253 412 A CA 0.092 52.144 52.037 0.025 0.000 0.894 412 A CB -0.301 18.708 19.000 0.015 0.000 0.963 412 A HN 0.649 nan 8.150 nan 0.000 0.508 413 H N -1.218 117.872 119.070 0.032 0.000 2.592 413 H HA 0.270 4.828 4.556 0.003 0.000 0.265 413 H C 2.240 177.576 175.328 0.013 0.000 0.955 413 H CA 0.800 56.872 56.048 0.041 0.000 1.175 413 H CB 0.308 30.086 29.762 0.026 0.000 1.433 413 H HN 0.532 nan 8.280 nan 0.000 0.537 414 A N 1.427 124.314 122.820 0.112 0.000 1.898 414 A HA 0.130 4.451 4.320 0.003 0.000 0.216 414 A C 1.881 179.692 177.584 0.379 0.000 1.181 414 A CA 0.990 53.085 52.037 0.096 0.000 0.620 414 A CB -0.459 18.602 19.000 0.102 0.000 0.819 414 A HN 0.347 nan 8.150 nan 0.000 0.442 415 A N -0.480 122.498 122.820 0.264 0.000 2.311 415 A HA 0.522 4.843 4.320 0.003 0.000 0.272 415 A C 1.407 179.030 177.584 0.066 0.000 1.438 415 A CA 0.313 52.501 52.037 0.251 0.000 0.819 415 A CB -0.438 18.775 19.000 0.354 0.000 1.336 415 A HN 1.349 nan 8.150 nan 0.000 0.528 416 I N -4.584 115.858 120.570 -0.213 0.000 4.906 416 I HA -0.485 3.687 4.170 0.003 0.000 0.038 416 I C 1.511 177.588 176.117 -0.067 0.000 0.635 416 I CA 2.242 63.326 61.300 -0.359 0.000 0.215 416 I CB -2.102 35.471 38.000 -0.711 0.000 0.324 416 I HN 1.594 nan 8.210 nan 0.000 0.150 417 F N 0.992 120.790 119.950 -0.254 0.000 2.156 417 F HA -0.453 4.075 4.527 0.003 0.000 0.211 417 F C 2.425 178.261 175.800 0.060 0.000 1.256 417 F CA 3.844 61.809 58.000 -0.057 0.000 1.933 417 F CB -1.093 37.914 39.000 0.011 0.000 0.563 417 F HN 0.455 nan 8.300 nan 0.000 0.323 418 M N -0.131 119.200 119.600 -0.449 0.000 2.077 418 M HA -0.105 4.376 4.480 0.003 0.000 0.261 418 M C 1.740 178.005 176.300 -0.058 0.000 1.070 418 M CA 2.024 57.097 55.300 -0.377 0.000 1.125 418 M CB -0.788 31.709 32.600 -0.172 0.000 1.339 418 M HN 0.288 nan 8.290 nan 0.000 0.409 419 V N -0.198 119.725 119.914 0.016 0.000 3.541 419 V HA -0.048 4.073 4.120 0.003 0.000 0.272 419 V C 1.233 177.327 176.094 0.001 0.000 1.215 419 V CA 0.812 63.141 62.300 0.048 0.000 1.176 419 V CB -1.485 30.430 31.823 0.154 0.000 0.854 419 V HN 0.437 nan 8.190 nan 0.000 0.496 420 R N 0.147 120.614 120.500 -0.055 0.000 2.898 420 R HA 0.155 4.497 4.340 0.003 0.000 0.092 420 R C 1.451 177.703 176.300 -0.079 0.000 0.570 420 R CA 0.061 56.115 56.100 -0.076 0.000 0.381 420 R CB -0.732 29.482 30.300 -0.143 0.000 0.320 420 R HN 0.271 nan 8.270 nan 0.000 0.321 421 D N 1.489 121.866 120.400 -0.039 0.000 2.292 421 D HA -0.234 4.408 4.640 0.003 0.000 0.205 421 D C 0.532 176.832 176.300 0.000 0.000 0.994 421 D CA 1.075 55.089 54.000 0.022 0.000 0.897 421 D CB -0.577 40.296 40.800 0.122 0.000 0.907 421 D HN 0.240 nan 8.370 nan 0.000 0.467 422 Y N 2.166 122.331 120.300 -0.224 0.000 2.721 422 Y HA 0.149 4.701 4.550 0.003 0.000 0.329 422 Y C 0.319 176.145 175.900 -0.124 0.000 1.211 422 Y CA -0.756 57.173 58.100 -0.284 0.000 1.512 422 Y CB 0.047 38.131 38.460 -0.627 0.000 1.249 422 Y HN -0.213 nan 8.280 nan 0.000 0.549 423 D N 7.134 127.372 120.400 -0.270 0.000 2.376 423 D HA 0.202 4.843 4.640 0.003 0.000 0.281 423 D C -1.050 174.885 176.300 -0.609 0.000 1.215 423 D CA -1.099 52.698 54.000 -0.338 0.000 1.062 423 D CB -0.362 40.395 40.800 -0.072 0.000 1.124 423 D HN 0.366 nan 8.370 nan 0.000 0.550 424 P HA -0.081 nan 4.420 nan 0.000 0.207 424 P C -0.052 177.245 177.300 -0.005 0.000 0.926 424 P CA 1.604 64.608 63.100 -0.160 0.000 0.982 424 P CB 0.023 31.694 31.700 -0.048 0.000 0.686 425 T N -3.281 111.355 114.554 0.137 0.000 2.883 425 T HA 0.539 4.891 4.350 0.003 0.000 0.296 425 T C -0.146 174.652 174.700 0.164 0.000 1.117 425 T CA 0.027 62.285 62.100 0.262 0.000 1.006 425 T CB 1.989 71.022 68.868 0.274 0.000 1.191 425 T HN 0.276 nan 8.240 nan 0.000 0.508 426 T N -1.845 112.758 114.554 0.082 0.000 3.862 426 T HA 0.153 4.505 4.350 0.003 0.000 0.296 426 T C 0.885 175.465 174.700 -0.200 0.000 0.900 426 T CA -0.446 61.566 62.100 -0.147 0.000 0.776 426 T CB -0.059 68.551 68.868 -0.430 0.000 1.186 426 T HN 0.453 nan 8.240 nan 0.000 0.832 427 R N 0.817 121.256 120.500 -0.101 0.000 2.207 427 R HA 0.402 4.744 4.340 0.003 0.000 0.184 427 R C -0.169 176.063 176.300 -0.114 0.000 1.280 427 R CA 0.008 56.061 56.100 -0.079 0.000 1.166 427 R CB -0.553 29.749 30.300 0.003 0.000 1.116 427 R HN 0.506 nan 8.270 nan 0.000 0.494 428 Y N 2.422 122.709 120.300 -0.021 0.000 2.996 428 Y HA -0.137 4.414 4.550 0.003 0.000 0.347 428 Y C 0.535 176.419 175.900 -0.027 0.000 1.276 428 Y CA -0.126 57.959 58.100 -0.025 0.000 1.601 428 Y CB -0.126 38.325 38.460 -0.013 0.000 1.193 428 Y HN 0.380 nan 8.280 nan 0.000 0.582 429 N N -1.036 117.702 118.700 0.064 0.000 2.962 429 N HA -0.286 4.456 4.740 0.003 0.000 0.206 429 N C -0.166 175.319 175.510 -0.041 0.000 0.907 429 N CA 1.202 54.252 53.050 -0.000 0.000 1.029 429 N CB -1.331 37.146 38.487 -0.018 0.000 1.009 429 N HN 0.958 nan 8.380 nan 0.000 0.587 430 D N 0.701 121.068 120.400 -0.056 0.000 2.429 430 D HA -0.108 4.534 4.640 0.003 0.000 0.233 430 D C 1.587 177.865 176.300 -0.037 0.000 1.202 430 D CA 0.054 54.023 54.000 -0.051 0.000 0.879 430 D CB 0.442 41.218 40.800 -0.040 0.000 1.212 430 D HN 0.162 nan 8.370 nan 0.000 0.465 431 L N 3.609 124.813 121.223 -0.032 0.000 2.017 431 L HA -0.158 4.183 4.340 0.003 0.000 0.208 431 L C 2.490 179.347 176.870 -0.021 0.000 1.073 431 L CA 1.248 56.069 54.840 -0.031 0.000 0.745 431 L CB -1.381 40.661 42.059 -0.028 0.000 0.894 431 L HN 0.675 nan 8.230 nan 0.000 0.432 432 L N 0.152 121.377 121.223 0.003 0.000 2.071 432 L HA -0.407 3.935 4.340 0.003 0.000 0.244 432 L C 2.256 179.092 176.870 -0.058 0.000 1.107 432 L CA 2.626 57.467 54.840 0.002 0.000 0.838 432 L CB -0.879 41.201 42.059 0.036 0.000 0.936 432 L HN 0.266 nan 8.230 nan 0.000 0.445 433 D N -0.717 119.651 120.400 -0.053 0.000 2.191 433 D HA -0.230 4.411 4.640 0.003 0.000 0.195 433 D C 2.275 178.485 176.300 -0.151 0.000 1.003 433 D CA 1.091 55.045 54.000 -0.076 0.000 0.867 433 D CB -0.293 40.500 40.800 -0.011 0.000 0.926 433 D HN 0.300 nan 8.370 nan 0.000 0.450 434 R N 0.388 120.804 120.500 -0.140 0.000 2.154 434 R HA -0.140 4.202 4.340 0.003 0.000 0.248 434 R C 2.177 178.048 176.300 -0.716 0.000 1.155 434 R CA 0.443 56.420 56.100 -0.205 0.000 0.979 434 R CB -0.736 29.532 30.300 -0.052 0.000 0.869 434 R HN 0.195 nan 8.270 nan 0.000 0.452 435 V N 1.081 120.565 119.914 -0.716 0.000 2.255 435 V HA -0.200 3.922 4.120 0.003 0.000 0.243 435 V C 2.422 178.214 176.094 -0.503 0.000 1.038 435 V CA 1.435 63.152 62.300 -0.972 0.000 1.008 435 V CB -0.300 31.396 31.823 -0.211 0.000 0.645 435 V HN 0.251 nan 8.190 nan 0.000 0.449 436 L N -0.221 120.843 121.223 -0.265 0.000 2.129 436 L HA -0.227 4.115 4.340 0.003 0.000 0.212 436 L C 2.724 179.492 176.870 -0.170 0.000 1.087 436 L CA 1.675 56.407 54.840 -0.179 0.000 0.757 436 L CB -1.026 40.959 42.059 -0.123 0.000 0.896 436 L HN 0.359 nan 8.230 nan 0.000 0.434 437 R N 0.606 121.005 120.500 -0.168 0.000 2.082 437 R HA -0.171 4.171 4.340 0.003 0.000 0.228 437 R C 2.053 178.320 176.300 -0.055 0.000 1.140 437 R CA 1.827 57.867 56.100 -0.100 0.000 0.920 437 R CB -1.073 29.186 30.300 -0.068 0.000 0.828 437 R HN 0.551 nan 8.270 nan 0.000 0.430 438 H N 2.304 121.354 119.070 -0.032 0.000 2.574 438 H HA 0.088 4.646 4.556 0.003 0.000 0.277 438 H C 0.670 175.987 175.328 -0.018 0.000 1.058 438 H CA -0.284 55.755 56.048 -0.016 0.000 1.171 438 H CB -0.743 29.019 29.762 -0.001 0.000 1.304 438 H HN 0.172 nan 8.280 nan 0.000 0.620 439 R N 0.502 121.050 120.500 0.080 0.000 3.160 439 R HA -0.170 4.172 4.340 0.003 0.000 0.289 439 R C -0.077 176.221 176.300 -0.003 0.000 1.014 439 R CA 1.038 57.105 56.100 -0.055 0.000 1.188 439 R CB -0.023 30.056 30.300 -0.368 0.000 1.177 439 R HN 0.327 nan 8.270 nan 0.000 0.523 440 D N -1.266 119.154 120.400 0.033 0.000 2.738 440 D HA -0.270 4.372 4.640 0.003 0.000 0.165 440 D C 0.038 176.333 176.300 -0.009 0.000 1.678 440 D CA 3.019 57.090 54.000 0.117 0.000 1.656 440 D CB -0.963 39.888 40.800 0.084 0.000 1.299 440 D HN 0.752 nan 8.370 nan 0.000 0.419 441 A N -1.188 121.624 122.820 -0.013 0.000 2.806 441 A HA 0.579 4.900 4.320 0.003 0.000 0.266 441 A C 0.866 178.601 177.584 0.251 0.000 0.926 441 A CA -0.051 51.944 52.037 -0.070 0.000 1.068 441 A CB -0.032 19.024 19.000 0.093 0.000 1.189 441 A HN 0.310 nan 8.150 nan 0.000 0.481 442 I N -4.067 116.591 120.570 0.147 0.000 3.746 442 I HA 0.395 4.567 4.170 0.003 0.000 0.262 442 I C 1.673 177.884 176.117 0.157 0.000 1.153 442 I CA 0.408 61.859 61.300 0.253 0.000 1.395 442 I CB -0.637 37.463 38.000 0.166 0.000 1.589 442 I HN 0.089 nan 8.210 nan 0.000 0.441 443 I N 2.528 123.166 120.570 0.113 0.000 2.064 443 I HA -0.430 3.742 4.170 0.003 0.000 0.234 443 I C 2.925 179.053 176.117 0.018 0.000 1.019 443 I CA 3.214 64.581 61.300 0.113 0.000 1.301 443 I CB -0.491 37.633 38.000 0.207 0.000 1.017 443 I HN 0.621 nan 8.210 nan 0.000 0.392 444 S N 0.943 116.588 115.700 -0.093 0.000 2.444 444 S HA -0.404 4.067 4.470 0.003 0.000 0.274 444 S C 1.650 176.156 174.600 -0.157 0.000 1.130 444 S CA 2.541 60.624 58.200 -0.194 0.000 1.243 444 S CB -1.803 61.190 63.200 -0.345 0.000 1.166 444 S HN 0.673 nan 8.310 nan 0.000 0.439 445 H N 1.064 120.173 119.070 0.064 0.000 2.562 445 H HA 0.388 4.945 4.556 0.003 0.000 0.272 445 H C 1.767 177.195 175.328 0.167 0.000 1.019 445 H CA 0.625 56.721 56.048 0.080 0.000 1.160 445 H CB -0.231 29.540 29.762 0.015 0.000 1.334 445 H HN 0.272 nan 8.280 nan 0.000 0.611 446 L N 0.365 121.724 121.223 0.227 0.000 2.221 446 L HA -0.015 4.327 4.340 0.003 0.000 0.202 446 L C 1.663 178.649 176.870 0.193 0.000 1.074 446 L CA 0.866 55.835 54.840 0.216 0.000 0.795 446 L CB -0.311 41.847 42.059 0.165 0.000 0.960 446 L HN 0.340 nan 8.230 nan 0.000 0.458 447 N N -0.843 117.945 118.700 0.147 0.000 2.405 447 N HA -0.294 4.447 4.740 0.003 0.000 0.189 447 N C 1.637 177.234 175.510 0.145 0.000 1.021 447 N CA 1.938 55.054 53.050 0.109 0.000 0.891 447 N CB -0.125 38.401 38.487 0.066 0.000 0.955 447 N HN 0.524 nan 8.380 nan 0.000 0.443 448 W N -0.670 120.618 121.300 -0.020 0.000 2.678 448 W HA 0.153 4.814 4.660 0.003 0.000 0.282 448 W C 1.995 178.491 176.519 -0.039 0.000 1.137 448 W CA 0.261 57.576 57.345 -0.050 0.000 1.515 448 W CB -0.943 28.488 29.460 -0.050 0.000 1.101 448 W HN -0.129 nan 8.180 nan 0.000 0.564 449 V N 2.028 121.799 119.914 -0.239 0.000 2.226 449 V HA -0.421 3.701 4.120 0.003 0.000 0.254 449 V C 1.825 177.732 176.094 -0.311 0.000 1.065 449 V CA 2.907 64.950 62.300 -0.428 0.000 1.039 449 V CB -1.301 30.466 31.823 -0.093 0.000 0.653 449 V HN 0.384 nan 8.190 nan 0.000 0.450 450 C N 0.759 119.993 119.300 -0.109 0.000 2.452 450 C HA 0.017 4.478 4.460 0.003 0.000 0.300 450 C C 1.954 176.831 174.990 -0.189 0.000 1.509 450 C CA 1.087 60.065 59.018 -0.067 0.000 1.722 450 C CB -2.469 25.328 27.740 0.094 0.000 1.591 450 C HN 0.758 nan 8.230 nan 0.000 0.592 451 I N -2.326 118.063 120.570 -0.301 0.000 4.300 451 I HA 0.203 4.375 4.170 0.003 0.000 0.234 451 I C 2.212 178.042 176.117 -0.479 0.000 1.037 451 I CA 0.135 61.209 61.300 -0.377 0.000 1.620 451 I CB -1.089 36.661 38.000 -0.418 0.000 1.514 451 I HN 0.166 nan 8.210 nan 0.000 0.462 452 F N 3.116 122.634 119.950 -0.721 0.000 2.104 452 F HA -0.278 4.251 4.527 0.003 0.000 0.289 452 F C 1.136 176.391 175.800 -0.908 0.000 1.115 452 F CA 1.944 59.592 58.000 -0.586 0.000 1.273 452 F CB -0.437 38.102 39.000 -0.768 0.000 0.933 452 F HN 0.202 nan 8.300 nan 0.000 0.517 453 L N 2.136 123.016 121.223 -0.572 0.000 2.485 453 L HA 0.382 4.723 4.340 0.003 0.000 0.279 453 L C 0.557 176.821 176.870 -1.009 0.000 1.124 453 L CA 1.216 55.654 54.840 -0.669 0.000 0.888 453 L CB -0.767 41.120 42.059 -0.287 0.000 1.217 453 L HN 0.841 nan 8.230 nan 0.000 0.464 454 G N 5.598 113.777 108.800 -1.036 0.000 2.512 454 G HA2 -0.350 3.612 3.960 0.003 0.000 0.240 454 G HA3 -0.350 3.612 3.960 0.003 0.000 0.240 454 G C 0.313 174.800 174.900 -0.687 0.000 1.246 454 G CA 0.606 44.955 45.100 -1.251 0.000 0.919 454 G HN 1.226 nan 8.290 nan 0.000 0.577 455 F N 0.225 119.779 119.950 -0.660 0.000 2.727 455 F HA -0.405 4.124 4.527 0.003 0.000 0.518 455 F C 1.658 177.424 175.800 -0.058 0.000 0.516 455 F CA 4.059 61.909 58.000 -0.249 0.000 0.637 455 F CB -1.096 37.772 39.000 -0.221 0.000 1.555 455 F HN 1.554 nan 8.300 nan 0.000 0.247 456 H N -2.100 116.972 119.070 0.004 0.000 3.794 456 H HA 0.361 4.919 4.556 0.003 0.000 0.258 456 H C 1.568 176.746 175.328 -0.251 0.000 1.120 456 H CA 0.575 56.556 56.048 -0.112 0.000 1.166 456 H CB -0.317 29.555 29.762 0.184 0.000 1.517 456 H HN 0.341 nan 8.280 nan 0.000 0.615 457 S N 0.485 115.892 115.700 -0.490 0.000 2.483 457 S HA -0.022 4.449 4.470 0.003 0.000 0.221 457 S C 1.729 176.165 174.600 -0.273 0.000 1.030 457 S CA 0.036 57.992 58.200 -0.408 0.000 0.925 457 S CB -0.765 62.051 63.200 -0.639 0.000 0.795 457 S HN 0.414 nan 8.310 nan 0.000 0.511 458 F N 3.745 123.487 119.950 -0.346 0.000 2.163 458 F HA 0.323 4.852 4.527 0.003 0.000 0.297 458 F C 1.517 177.114 175.800 -0.338 0.000 1.094 458 F CA 0.644 58.417 58.000 -0.378 0.000 1.290 458 F CB -0.836 38.027 39.000 -0.227 0.000 1.017 458 F HN 0.240 nan 8.300 nan 0.000 0.483 459 G N 1.752 110.471 108.800 -0.135 0.000 2.843 459 G HA2 0.293 4.255 3.960 0.003 0.000 0.275 459 G HA3 0.293 4.255 3.960 0.003 0.000 0.275 459 G C -0.023 174.628 174.900 -0.416 0.000 0.709 459 G CA 0.316 45.246 45.100 -0.283 0.000 2.089 459 G HN 0.496 nan 8.290 nan 0.000 0.571 460 L N -0.522 120.337 121.223 -0.607 0.000 2.203 460 L HA 0.177 4.519 4.340 0.003 0.000 0.254 460 L C 1.774 178.445 176.870 -0.332 0.000 1.162 460 L CA 0.302 54.854 54.840 -0.480 0.000 1.407 460 L CB -0.837 40.973 42.059 -0.416 0.000 2.645 460 L HN 0.449 nan 8.230 nan 0.000 0.525 461 Y N -0.634 119.335 120.300 -0.550 0.000 2.092 461 Y HA -0.255 4.296 4.550 0.003 0.000 0.282 461 Y C 2.353 178.032 175.900 -0.368 0.000 1.126 461 Y CA 0.995 58.857 58.100 -0.398 0.000 1.111 461 Y CB -0.160 38.070 38.460 -0.384 0.000 0.987 461 Y HN 0.072 nan 8.280 nan 0.000 0.489 462 I N 0.326 120.696 120.570 -0.333 0.000 2.504 462 I HA -0.530 3.641 4.170 0.003 0.000 0.230 462 I C 2.507 178.569 176.117 -0.092 0.000 0.933 462 I CA 2.282 63.452 61.300 -0.217 0.000 1.236 462 I CB -1.053 36.788 38.000 -0.264 0.000 0.947 462 I HN 0.383 nan 8.210 nan 0.000 0.390 463 H N 0.080 119.025 119.070 -0.209 0.000 2.289 463 H HA -0.216 4.341 4.556 0.003 0.000 0.294 463 H C 1.659 176.962 175.328 -0.041 0.000 1.095 463 H CA 2.005 57.974 56.048 -0.131 0.000 1.256 463 H CB -0.025 29.615 29.762 -0.204 0.000 1.359 463 H HN 0.419 nan 8.280 nan 0.000 0.487 464 N N 0.764 119.303 118.700 -0.268 0.000 2.550 464 N HA -0.069 4.673 4.740 0.003 0.000 0.186 464 N C 0.742 176.171 175.510 -0.136 0.000 1.110 464 N CA 0.988 53.883 53.050 -0.257 0.000 0.912 464 N CB -0.100 38.320 38.487 -0.113 0.000 0.968 464 N HN 0.597 nan 8.380 nan 0.000 0.448 465 D N -0.593 119.753 120.400 -0.090 0.000 2.154 465 D HA -0.082 4.560 4.640 0.003 0.000 0.211 465 D C 1.906 178.183 176.300 -0.038 0.000 0.977 465 D CA 1.551 55.523 54.000 -0.046 0.000 0.869 465 D CB -0.856 39.932 40.800 -0.020 0.000 1.022 465 D HN 0.224 nan 8.370 nan 0.000 0.461 466 T N -1.342 113.200 114.554 -0.021 0.000 2.946 466 T HA -0.194 4.157 4.350 0.003 0.000 0.270 466 T C 0.972 175.668 174.700 -0.007 0.000 1.129 466 T CA 0.911 63.018 62.100 0.012 0.000 1.103 466 T CB -0.264 68.642 68.868 0.063 0.000 0.839 466 T HN -0.026 nan 8.240 nan 0.000 0.544 467 M N 0.580 120.121 119.600 -0.099 0.000 2.944 467 M HA 0.516 4.998 4.480 0.003 0.000 0.235 467 M C 0.855 177.091 176.300 -0.107 0.000 1.188 467 M CA -0.258 54.959 55.300 -0.138 0.000 0.688 467 M CB 1.411 33.807 32.600 -0.340 0.000 1.406 467 M HN 0.175 nan 8.290 nan 0.000 0.479 468 S N -1.483 114.182 115.700 -0.057 0.000 3.352 468 S HA 0.329 4.801 4.470 0.003 0.000 0.242 468 S C 1.501 176.089 174.600 -0.020 0.000 1.075 468 S CA 0.581 58.758 58.200 -0.038 0.000 1.026 468 S CB -0.402 62.776 63.200 -0.037 0.000 1.009 468 S HN 0.460 nan 8.310 nan 0.000 0.429 469 A N 3.436 126.247 122.820 -0.015 0.000 1.844 469 A HA 0.013 4.335 4.320 0.003 0.000 0.214 469 A C 2.020 179.601 177.584 -0.004 0.000 1.217 469 A CA 1.773 53.806 52.037 -0.007 0.000 0.644 469 A CB -1.392 17.606 19.000 -0.004 0.000 0.850 469 A HN 0.574 nan 8.150 nan 0.000 0.456 470 L N 0.013 121.236 121.223 -0.001 0.000 2.046 470 L HA -0.054 4.288 4.340 0.003 0.000 0.208 470 L C 1.702 178.575 176.870 0.004 0.000 1.077 470 L CA 2.391 57.234 54.840 0.006 0.000 0.747 470 L CB -1.591 40.478 42.059 0.017 0.000 0.896 470 L HN 0.415 nan 8.230 nan 0.000 0.432 471 G N 2.798 111.593 108.800 -0.008 0.000 3.717 471 G HA2 0.096 4.058 3.960 0.003 0.000 0.258 471 G HA3 0.096 4.058 3.960 0.003 0.000 0.258 471 G C -0.052 174.836 174.900 -0.020 0.000 1.088 471 G CA -0.556 44.535 45.100 -0.015 0.000 1.737 471 G HN 0.544 nan 8.290 nan 0.000 0.648 472 R N 0.453 120.948 120.500 -0.009 0.000 4.184 472 R HA -0.191 4.151 4.340 0.003 0.000 0.095 472 R C -2.052 174.241 176.300 -0.011 0.000 0.374 472 R CA 0.235 56.331 56.100 -0.007 0.000 0.751 472 R CB -1.117 29.184 30.300 0.001 0.000 1.194 472 R HN 0.204 nan 8.270 nan 0.000 0.202 473 P HA -0.330 nan 4.420 nan 0.000 0.222 473 P C 1.512 178.803 177.300 -0.014 0.000 1.152 473 P CA 2.144 65.234 63.100 -0.017 0.000 0.838 473 P CB -0.093 31.599 31.700 -0.014 0.000 0.771 474 Q N -0.592 119.203 119.800 -0.008 0.000 2.129 474 Q HA -0.269 4.073 4.340 0.003 0.000 0.218 474 Q C -0.071 175.924 176.000 -0.009 0.000 1.040 474 Q CA 2.250 58.050 55.803 -0.005 0.000 0.913 474 Q CB -0.277 28.462 28.738 0.002 0.000 1.030 474 Q HN 0.155 nan 8.270 nan 0.000 0.419 475 D N -1.794 118.600 120.400 -0.009 0.000 2.369 475 D HA 0.337 4.979 4.640 0.003 0.000 0.212 475 D C -1.345 174.946 176.300 -0.016 0.000 1.326 475 D CA -0.194 53.795 54.000 -0.018 0.000 0.933 475 D CB 0.900 41.693 40.800 -0.011 0.000 1.516 475 D HN 0.227 nan 8.370 nan 0.000 0.557 476 M N 0.780 120.351 119.600 -0.049 0.000 3.690 476 M HA 0.439 4.921 4.480 0.003 0.000 0.439 476 M C -0.466 175.786 176.300 -0.080 0.000 1.893 476 M CA -0.710 54.568 55.300 -0.037 0.000 0.849 476 M CB -0.079 32.488 32.600 -0.056 0.000 2.989 476 M HN -0.009 nan 8.290 nan 0.000 0.486 477 F N 0.858 120.786 119.950 -0.036 0.000 2.797 477 F HA 0.329 4.857 4.527 0.003 0.000 0.302 477 F C 1.651 177.437 175.800 -0.022 0.000 1.130 477 F CA 0.558 58.566 58.000 0.013 0.000 1.387 477 F CB -0.153 38.877 39.000 0.050 0.000 1.107 477 F HN 0.669 nan 8.300 nan 0.000 0.577 478 S N -0.788 114.949 115.700 0.061 0.000 2.625 478 S HA 0.004 4.476 4.470 0.003 0.000 0.262 478 S C 1.500 176.099 174.600 -0.001 0.000 1.223 478 S CA -0.369 57.827 58.200 -0.007 0.000 0.993 478 S CB 0.471 63.646 63.200 -0.042 0.000 1.051 478 S HN 0.164 nan 8.310 nan 0.000 0.562 479 D N 0.447 120.838 120.400 -0.016 0.000 2.077 479 D HA -0.098 4.544 4.640 0.003 0.000 0.197 479 D C 1.600 177.913 176.300 0.022 0.000 0.983 479 D CA 1.889 55.898 54.000 0.015 0.000 0.841 479 D CB -0.785 40.022 40.800 0.011 0.000 0.992 479 D HN 0.708 nan 8.370 nan 0.000 0.450 480 T N -0.176 114.383 114.554 0.007 0.000 3.650 480 T HA 0.273 4.624 4.350 0.003 0.000 0.254 480 T C 0.379 175.077 174.700 -0.003 0.000 1.130 480 T CA 0.562 62.666 62.100 0.007 0.000 0.984 480 T CB -0.452 68.417 68.868 0.002 0.000 1.039 480 T HN 0.221 nan 8.240 nan 0.000 0.586 481 A N 1.198 124.016 122.820 -0.004 0.000 2.677 481 A HA 0.550 4.871 4.320 0.003 0.000 0.197 481 A C 1.123 178.683 177.584 -0.040 0.000 1.471 481 A CA -0.430 51.592 52.037 -0.025 0.000 1.527 481 A CB -0.312 18.673 19.000 -0.025 0.000 1.695 481 A HN 0.323 nan 8.150 nan 0.000 0.557 482 I N 1.715 122.245 120.570 -0.067 0.000 3.369 482 I HA -0.027 4.145 4.170 0.003 0.000 0.288 482 I C 0.998 177.126 176.117 0.017 0.000 1.321 482 I CA 0.729 61.951 61.300 -0.130 0.000 1.358 482 I CB -1.813 35.948 38.000 -0.398 0.000 1.038 482 I HN 0.484 nan 8.210 nan 0.000 0.516 483 Q N 1.115 120.948 119.800 0.056 0.000 2.943 483 Q HA -0.181 4.161 4.340 0.003 0.000 0.398 483 Q C -0.012 176.023 176.000 0.057 0.000 1.173 483 Q CA 0.704 56.555 55.803 0.081 0.000 1.154 483 Q CB 0.206 28.975 28.738 0.051 0.000 1.158 483 Q HN 0.388 nan 8.270 nan 0.000 0.479 484 L N 2.633 123.902 121.223 0.076 0.000 2.878 484 L HA -0.233 4.109 4.340 0.003 0.000 0.717 484 L C 0.896 177.835 176.870 0.114 0.000 1.168 484 L CA 0.485 55.401 54.840 0.127 0.000 1.349 484 L CB -0.903 41.293 42.059 0.227 0.000 2.015 484 L HN 0.786 nan 8.230 nan 0.000 0.935 485 Q N 2.114 121.968 119.800 0.090 0.000 2.042 485 Q HA 0.061 4.403 4.340 0.003 0.000 0.194 485 Q C -0.804 175.243 176.000 0.078 0.000 0.978 485 Q CA 1.565 57.411 55.803 0.072 0.000 0.828 485 Q CB -0.195 28.575 28.738 0.053 0.000 0.901 485 Q HN 0.483 nan 8.270 nan 0.000 0.461 486 P HA -0.034 nan 4.420 nan 0.000 0.210 486 P C -0.404 176.943 177.300 0.078 0.000 1.189 486 P CA 0.785 63.929 63.100 0.074 0.000 0.920 486 P CB 0.195 31.937 31.700 0.071 0.000 0.782 487 V N -2.723 117.247 119.914 0.094 0.000 3.148 487 V HA -0.167 3.955 4.120 0.003 0.000 0.455 487 V C -0.550 175.683 176.094 0.232 0.000 0.682 487 V CA -0.841 61.555 62.300 0.160 0.000 1.992 487 V CB -1.193 30.727 31.823 0.162 0.000 2.465 487 V HN 0.199 nan 8.190 nan 0.000 0.494 488 F N 6.896 126.935 119.950 0.148 0.000 2.467 488 F HA 0.716 5.244 4.527 0.003 0.000 0.362 488 F C 0.829 176.691 175.800 0.105 0.000 1.090 488 F CA 0.235 58.305 58.000 0.116 0.000 1.202 488 F CB 0.967 40.070 39.000 0.172 0.000 1.113 488 F HN 1.054 nan 8.300 nan 0.000 0.541 489 A N 4.541 127.120 122.820 -0.402 0.000 2.567 489 A HA 0.170 4.492 4.320 0.003 0.000 0.236 489 A C 0.403 177.493 177.584 -0.825 0.000 1.088 489 A CA 0.307 52.082 52.037 -0.437 0.000 0.776 489 A CB -0.277 18.707 19.000 -0.028 0.000 1.033 489 A HN 0.932 nan 8.150 nan 0.000 0.513 490 Q N -1.017 118.644 119.800 -0.232 0.000 2.447 490 Q HA -0.115 4.227 4.340 0.003 0.000 0.316 490 Q C -0.895 175.160 176.000 0.092 0.000 1.448 490 Q CA 1.251 57.038 55.803 -0.027 0.000 0.804 490 Q CB -1.852 26.863 28.738 -0.038 0.000 1.107 490 Q HN 0.750 nan 8.270 nan 0.000 0.373 491 W N 1.095 122.284 121.300 -0.186 0.000 3.156 491 W HA -0.242 4.420 4.660 0.003 0.000 0.437 491 W C 0.629 177.027 176.519 -0.203 0.000 1.846 491 W CA 1.687 58.914 57.345 -0.196 0.000 0.473 491 W CB -1.229 28.079 29.460 -0.254 0.000 2.860 491 W HN 0.890 nan 8.180 nan 0.000 0.445 492 I N 0.639 121.149 120.570 -0.100 0.000 2.615 492 I HA -0.048 4.123 4.170 0.003 0.000 0.301 492 I C -0.007 175.780 176.117 -0.551 0.000 1.597 492 I CA -0.279 60.855 61.300 -0.276 0.000 0.734 492 I CB -1.191 36.583 38.000 -0.377 0.000 2.390 492 I HN 0.479 nan 8.210 nan 0.000 0.557 493 Q N 2.393 121.530 119.800 -1.105 0.000 0.649 493 Q HA -0.306 4.036 4.340 0.003 0.000 0.360 493 Q C 0.369 176.256 176.000 -0.188 0.000 1.072 493 Q CA 1.518 56.973 55.803 -0.579 0.000 0.348 493 Q CB -0.317 28.331 28.738 -0.150 0.000 5.452 493 Q HN 0.989 nan 8.270 nan 0.000 0.368 494 N N 0.562 119.277 118.700 0.025 0.000 2.836 494 N HA -0.341 4.400 4.740 0.003 0.000 0.316 494 N C -0.203 175.299 175.510 -0.015 0.000 1.134 494 N CA 1.475 54.547 53.050 0.037 0.000 0.768 494 N CB -0.306 38.196 38.487 0.025 0.000 1.012 494 N HN 0.642 nan 8.380 nan 0.000 0.590 495 T N 1.777 116.339 114.554 0.013 0.000 9.964 495 T HA -0.185 4.166 4.350 0.003 0.000 0.338 495 T C 0.850 175.559 174.700 0.014 0.000 1.938 495 T CA 0.493 62.583 62.100 -0.016 0.000 3.260 495 T CB -1.605 67.219 68.868 -0.073 0.000 1.821 495 T HN 0.807 nan 8.240 nan 0.000 0.383 496 H N 0.942 119.889 119.070 -0.204 0.000 2.545 496 H HA 0.101 4.658 4.556 0.003 0.000 0.294 496 H C 1.040 176.372 175.328 0.006 0.000 1.083 496 H CA 1.106 56.969 56.048 -0.307 0.000 1.204 496 H CB 0.002 29.247 29.762 -0.861 0.000 1.350 496 H HN 0.475 nan 8.280 nan 0.000 0.582 497 A N 0.250 123.149 122.820 0.132 0.000 3.308 497 A HA 0.356 4.678 4.320 0.003 0.000 0.275 497 A C 0.422 178.041 177.584 0.060 0.000 0.950 497 A CA -0.418 51.696 52.037 0.127 0.000 0.987 497 A CB -0.087 19.010 19.000 0.161 0.000 1.146 497 A HN 0.330 nan 8.150 nan 0.000 0.488 498 L N -4.194 117.047 121.223 0.030 0.000 4.914 498 L HA 0.470 4.812 4.340 0.003 0.000 0.494 498 L C 1.361 178.224 176.870 -0.012 0.000 0.929 498 L CA 0.795 55.640 54.840 0.008 0.000 1.912 498 L CB -0.755 41.303 42.059 -0.001 0.000 1.710 498 L HN 0.150 nan 8.230 nan 0.000 0.601 499 A N 1.231 124.040 122.820 -0.019 0.000 1.972 499 A HA 0.187 4.509 4.320 0.003 0.000 0.219 499 A C -0.405 177.143 177.584 -0.061 0.000 1.169 499 A CA 2.281 54.283 52.037 -0.059 0.000 0.635 499 A CB -1.277 17.659 19.000 -0.105 0.000 0.810 499 A HN 0.543 nan 8.150 nan 0.000 0.446 500 P HA 0.161 nan 4.420 nan 0.000 0.260 500 P C 1.372 178.659 177.300 -0.021 0.000 1.203 500 P CA 1.060 64.139 63.100 -0.036 0.000 0.866 500 P CB -0.007 31.689 31.700 -0.008 0.000 1.163 501 G N -0.293 108.503 108.800 -0.007 0.000 2.572 501 G HA2 0.061 4.023 3.960 0.003 0.000 0.216 501 G HA3 0.061 4.023 3.960 0.003 0.000 0.216 501 G C 0.767 175.661 174.900 -0.011 0.000 1.133 501 G CA 1.556 46.655 45.100 -0.003 0.000 0.791 501 G HN 0.493 nan 8.290 nan 0.000 0.538 502 T N -3.350 111.192 114.554 -0.020 0.000 2.618 502 T HA 0.355 4.707 4.350 0.003 0.000 0.255 502 T C -0.033 174.644 174.700 -0.038 0.000 0.988 502 T CA 0.950 63.035 62.100 -0.025 0.000 1.221 502 T CB 0.320 69.176 68.868 -0.020 0.000 1.674 502 T HN 0.877 nan 8.240 nan 0.000 0.448 503 T N 0.690 115.220 114.554 -0.040 0.000 1.910 503 T HA 0.226 4.577 4.350 0.003 0.000 0.585 503 T C 0.848 175.506 174.700 -0.070 0.000 0.906 503 T CA 0.842 62.912 62.100 -0.051 0.000 3.110 503 T CB -2.648 66.190 68.868 -0.049 0.000 1.812 503 T HN 2.684 nan 8.240 nan 0.000 0.387 504 A N 1.929 124.705 122.820 -0.074 0.000 2.839 504 A HA 0.078 4.400 4.320 0.003 0.000 0.290 504 A C -0.133 177.396 177.584 -0.091 0.000 1.436 504 A CA 0.233 52.212 52.037 -0.097 0.000 0.731 504 A CB -2.242 16.673 19.000 -0.142 0.000 1.068 504 A HN 0.758 nan 8.150 nan 0.000 0.457 505 P HA -0.340 nan 4.420 nan 0.000 0.239 505 P C 1.650 178.922 177.300 -0.048 0.000 0.760 505 P CA 2.832 65.906 63.100 -0.043 0.000 1.081 505 P CB -0.247 31.435 31.700 -0.030 0.000 0.756 506 G N -1.839 106.933 108.800 -0.045 0.000 2.548 506 G HA2 0.418 4.380 3.960 0.003 0.000 0.221 506 G HA3 0.418 4.380 3.960 0.003 0.000 0.221 506 G C 0.314 175.172 174.900 -0.071 0.000 1.796 506 G CA 1.056 46.135 45.100 -0.035 0.000 0.889 506 G HN 0.677 nan 8.290 nan 0.000 0.599 507 A N -1.732 121.050 122.820 -0.063 0.000 6.484 507 A HA 0.110 4.432 4.320 0.003 0.000 0.261 507 A C 0.422 178.022 177.584 0.026 0.000 2.084 507 A CA 1.352 53.370 52.037 -0.033 0.000 0.721 507 A CB -2.003 16.841 19.000 -0.260 0.000 1.059 507 A HN 1.725 nan 8.150 nan 0.000 0.382 508 T N -1.502 113.096 114.554 0.074 0.000 2.887 508 T HA 0.852 5.204 4.350 0.003 0.000 0.288 508 T C 0.243 175.019 174.700 0.127 0.000 1.021 508 T CA 0.824 62.972 62.100 0.080 0.000 1.000 508 T CB 1.393 70.284 68.868 0.039 0.000 1.034 508 T HN 2.572 nan 8.240 nan 0.000 0.467 509 A N 1.892 124.775 122.820 0.104 0.000 1.759 509 A HA 0.018 4.340 4.320 0.003 0.000 0.234 509 A C 1.099 178.740 177.584 0.095 0.000 1.288 509 A CA 0.457 52.559 52.037 0.107 0.000 0.717 509 A CB -2.293 16.794 19.000 0.145 0.000 1.193 509 A HN 1.944 nan 8.150 nan 0.000 0.250 510 S N -0.108 115.651 115.700 0.099 0.000 3.477 510 S HA -0.285 4.187 4.470 0.003 0.000 0.357 510 S C 1.871 176.620 174.600 0.248 0.000 1.083 510 S CA 1.897 60.195 58.200 0.163 0.000 1.042 510 S CB -2.471 60.816 63.200 0.146 0.000 0.911 510 S HN 2.664 nan 8.310 nan 0.000 0.490 511 T N -3.411 111.255 114.554 0.187 0.000 10.334 511 T HA -0.386 3.966 4.350 0.003 0.000 0.417 511 T C 0.452 175.161 174.700 0.015 0.000 1.453 511 T CA 2.138 64.392 62.100 0.256 0.000 2.443 511 T CB -1.874 67.223 68.868 0.380 0.000 2.935 511 T HN 2.322 nan 8.240 nan 0.000 1.124 512 S N -0.272 115.071 115.700 -0.594 0.000 2.288 512 S HA 0.508 4.980 4.470 0.003 0.000 0.258 512 S C 0.564 174.523 174.600 -1.067 0.000 0.919 512 S CA -0.158 57.393 58.200 -1.081 0.000 1.010 512 S CB 0.223 62.434 63.200 -1.649 0.000 1.231 512 S HN 0.338 nan 8.310 nan 0.000 0.403 513 L N 2.412 123.340 121.223 -0.491 0.000 2.151 513 L HA -0.257 4.085 4.340 0.003 0.000 0.219 513 L C 3.256 179.978 176.870 -0.247 0.000 1.083 513 L CA 2.415 57.090 54.840 -0.273 0.000 0.782 513 L CB -1.223 40.742 42.059 -0.156 0.000 0.891 513 L HN 1.023 nan 8.230 nan 0.000 0.439 514 T N -1.216 113.139 114.554 -0.332 0.000 2.680 514 T HA -0.227 4.125 4.350 0.003 0.000 0.268 514 T C 0.519 175.214 174.700 -0.008 0.000 1.033 514 T CA 1.443 63.445 62.100 -0.164 0.000 1.152 514 T CB -0.471 68.283 68.868 -0.190 0.000 0.859 514 T HN 0.462 nan 8.240 nan 0.000 0.452 515 W N 0.746 122.081 121.300 0.058 0.000 2.367 515 W HA 0.717 5.378 4.660 0.003 0.000 0.369 515 W C 0.664 177.223 176.519 0.067 0.000 1.276 515 W CA -0.655 56.729 57.345 0.065 0.000 1.415 515 W CB 0.411 29.937 29.460 0.110 0.000 1.306 515 W HN 0.606 nan 8.180 nan 0.000 0.669 516 G N -0.336 108.727 108.800 0.440 0.000 2.301 516 G HA2 0.343 4.304 3.960 0.003 0.000 0.194 516 G HA3 0.343 4.304 3.960 0.003 0.000 0.194 516 G C 0.004 174.997 174.900 0.155 0.000 1.266 516 G CA 0.193 45.469 45.100 0.293 0.000 1.210 516 G HN 1.383 nan 8.290 nan 0.000 0.524 517 G N -1.264 107.604 108.800 0.114 0.000 2.930 517 G HA2 0.583 4.545 3.960 0.003 0.000 0.209 517 G HA3 0.583 4.545 3.960 0.003 0.000 0.209 517 G C 1.122 176.059 174.900 0.062 0.000 2.018 517 G CA 1.177 46.322 45.100 0.076 0.000 0.751 517 G HN 1.969 nan 8.290 nan 0.000 0.770 518 G N -0.504 108.328 108.800 0.053 0.000 3.274 518 G HA2 0.149 4.111 3.960 0.003 0.000 0.250 518 G HA3 0.149 4.111 3.960 0.003 0.000 0.250 518 G C 0.167 175.093 174.900 0.043 0.000 1.024 518 G CA 0.398 45.525 45.100 0.045 0.000 0.840 518 G HN 0.458 nan 8.290 nan 0.000 0.522 519 D N 2.014 122.442 120.400 0.046 0.000 2.449 519 D HA -0.039 4.603 4.640 0.003 0.000 0.278 519 D C -0.307 176.016 176.300 0.038 0.000 1.417 519 D CA 0.180 54.206 54.000 0.044 0.000 1.192 519 D CB -0.133 40.698 40.800 0.051 0.000 1.129 519 D HN 0.051 nan 8.370 nan 0.000 0.539 520 L N 4.685 125.930 121.223 0.036 0.000 2.362 520 L HA 0.439 4.781 4.340 0.003 0.000 0.275 520 L C -0.751 176.138 176.870 0.033 0.000 0.998 520 L CA -0.594 54.266 54.840 0.033 0.000 0.820 520 L CB 1.705 43.787 42.059 0.038 0.000 1.270 520 L HN 0.147 nan 8.230 nan 0.000 0.415 521 V N 4.512 124.442 119.914 0.026 0.000 4.114 521 V HA 1.021 5.143 4.120 0.003 0.000 0.293 521 V C 0.215 176.328 176.094 0.032 0.000 1.371 521 V CA 0.458 62.773 62.300 0.025 0.000 0.929 521 V CB 1.752 33.584 31.823 0.014 0.000 1.281 521 V HN 1.105 nan 8.190 nan 0.000 0.468 522 A N -1.246 121.587 122.820 0.022 0.000 4.379 522 A HA 0.619 4.940 4.320 0.003 0.000 0.104 522 A C -0.544 177.043 177.584 0.005 0.000 1.250 522 A CA 0.979 53.035 52.037 0.031 0.000 1.448 522 A CB -0.519 18.520 19.000 0.066 0.000 1.692 522 A HN 2.074 nan 8.150 nan 0.000 0.785 523 V N -4.999 114.926 119.914 0.019 0.000 3.918 523 V HA 0.565 4.687 4.120 0.003 0.000 0.336 523 V C 1.401 177.516 176.094 0.034 0.000 1.966 523 V CA 0.297 62.606 62.300 0.015 0.000 0.937 523 V CB -0.655 31.157 31.823 -0.019 0.000 0.804 523 V HN 2.783 nan 8.190 nan 0.000 0.463 524 G N 4.273 113.091 108.800 0.030 0.000 1.969 524 G HA2 -0.200 3.762 3.960 0.003 0.000 0.238 524 G HA3 -0.200 3.762 3.960 0.003 0.000 0.238 524 G C 0.810 175.756 174.900 0.076 0.000 0.690 524 G CA 2.122 47.255 45.100 0.055 0.000 0.979 524 G HN 1.867 nan 8.290 nan 0.000 0.375 525 N N -0.473 118.278 118.700 0.086 0.000 2.999 525 N HA -0.386 4.356 4.740 0.003 0.000 0.171 525 N C 1.140 176.705 175.510 0.092 0.000 0.209 525 N CA 2.380 55.481 53.050 0.086 0.000 2.029 525 N CB -1.380 37.163 38.487 0.094 0.000 1.212 525 N HN 0.937 nan 8.380 nan 0.000 0.415 526 K N 2.300 122.764 120.400 0.107 0.000 2.443 526 K HA 0.353 4.675 4.320 0.003 0.000 0.268 526 K C 0.678 177.380 176.600 0.169 0.000 0.971 526 K CA -0.135 56.245 56.287 0.155 0.000 0.902 526 K CB 0.411 33.021 32.500 0.183 0.000 0.950 526 K HN 0.261 nan 8.250 nan 0.000 0.525 527 V N -0.019 120.050 119.914 0.258 0.000 3.403 527 V HA 0.321 4.443 4.120 0.003 0.000 0.305 527 V C 0.798 177.034 176.094 0.237 0.000 1.060 527 V CA 0.657 63.096 62.300 0.231 0.000 1.053 527 V CB 1.312 33.278 31.823 0.238 0.000 1.198 527 V HN 1.051 nan 8.190 nan 0.000 0.447 528 A N 0.914 123.847 122.820 0.188 0.000 1.878 528 A HA 0.701 5.023 4.320 0.003 0.000 0.188 528 A C -0.283 177.416 177.584 0.192 0.000 2.104 528 A CA 0.059 52.190 52.037 0.156 0.000 1.140 528 A CB 0.188 19.214 19.000 0.043 0.000 1.057 528 A HN 0.513 nan 8.150 nan 0.000 0.646 529 L N 0.041 121.326 121.223 0.103 0.000 2.465 529 L HA 0.678 5.020 4.340 0.003 0.000 0.257 529 L C -1.255 175.635 176.870 0.033 0.000 0.988 529 L CA -0.770 54.119 54.840 0.082 0.000 0.827 529 L CB 2.367 44.437 42.059 0.018 0.000 1.397 529 L HN 0.653 nan 8.230 nan 0.000 0.410 530 L N -0.817 120.418 121.223 0.020 0.000 2.502 530 L HA 0.773 5.115 4.340 0.003 0.000 0.253 530 L C -2.774 174.099 176.870 0.004 0.000 1.070 530 L CA -2.146 52.702 54.840 0.012 0.000 0.871 530 L CB 0.720 42.797 42.059 0.031 0.000 1.487 530 L HN 0.120 nan 8.230 nan 0.000 0.408 531 P HA 0.204 nan 4.420 nan 0.000 0.257 531 P C -0.536 176.779 177.300 0.024 0.000 1.269 531 P CA 0.457 63.578 63.100 0.035 0.000 1.122 531 P CB -0.438 31.289 31.700 0.045 0.000 1.285 532 I N 4.075 124.660 120.570 0.025 0.000 2.293 532 I HA 0.268 4.440 4.170 0.003 0.000 0.299 532 I C -1.894 174.233 176.117 0.016 0.000 1.153 532 I CA -2.264 59.033 61.300 -0.005 0.000 1.302 532 I CB -0.245 37.756 38.000 0.001 0.000 1.460 532 I HN 0.109 nan 8.210 nan 0.000 0.552 533 P HA 0.237 nan 4.420 nan 0.000 0.288 533 P C 0.228 177.553 177.300 0.041 0.000 1.267 533 P CA -0.545 62.572 63.100 0.029 0.000 0.815 533 P CB 1.942 33.656 31.700 0.025 0.000 0.989 534 L N 1.038 122.303 121.223 0.071 0.000 2.378 534 L HA 0.531 4.872 4.340 0.003 0.000 0.195 534 L C 1.222 178.190 176.870 0.165 0.000 1.287 534 L CA 0.905 55.823 54.840 0.131 0.000 1.364 534 L CB -2.687 39.487 42.059 0.192 0.000 1.310 534 L HN 0.679 nan 8.230 nan 0.000 0.732 535 G N 0.129 109.085 108.800 0.260 0.000 2.693 535 G HA2 -0.227 3.735 3.960 0.003 0.000 0.226 535 G HA3 -0.227 3.735 3.960 0.003 0.000 0.226 535 G C -0.047 175.005 174.900 0.255 0.000 1.354 535 G CA 0.145 45.439 45.100 0.324 0.000 0.873 535 G HN 0.886 nan 8.290 nan 0.000 0.562 536 T N -0.983 113.652 114.554 0.135 0.000 2.905 536 T HA 0.505 4.856 4.350 0.003 0.000 0.299 536 T C 1.410 176.024 174.700 -0.143 0.000 1.024 536 T CA 2.012 63.996 62.100 -0.194 0.000 1.151 536 T CB 0.950 69.763 68.868 -0.092 0.000 0.987 536 T HN 2.646 nan 8.240 nan 0.000 0.535 537 A N 1.764 124.449 122.820 -0.225 0.000 3.686 537 A HA -0.148 4.174 4.320 0.003 0.000 0.220 537 A C 0.887 178.464 177.584 -0.012 0.000 1.167 537 A CA 0.917 52.852 52.037 -0.171 0.000 1.575 537 A CB -2.095 16.785 19.000 -0.199 0.000 0.948 537 A HN 0.776 nan 8.150 nan 0.000 0.820 538 D N -1.617 118.787 120.400 0.006 0.000 2.434 538 D HA 0.288 4.930 4.640 0.003 0.000 0.288 538 D C 1.084 177.557 176.300 0.288 0.000 1.083 538 D CA 0.765 54.886 54.000 0.202 0.000 0.903 538 D CB -0.190 40.790 40.800 0.299 0.000 1.476 538 D HN 0.789 nan 8.370 nan 0.000 0.502 539 F N 0.208 120.245 119.950 0.144 0.000 2.732 539 F HA 0.442 4.971 4.527 0.003 0.000 0.303 539 F C 0.381 176.273 175.800 0.153 0.000 1.110 539 F CA -0.442 57.545 58.000 -0.023 0.000 1.355 539 F CB -0.230 38.625 39.000 -0.240 0.000 1.081 539 F HN -0.178 nan 8.300 nan 0.000 0.565 540 L N -0.131 120.999 121.223 -0.155 0.000 3.011 540 L HA 0.422 4.763 4.340 0.003 0.000 0.185 540 L C 1.875 178.881 176.870 0.226 0.000 1.457 540 L CA 0.559 55.419 54.840 0.035 0.000 1.482 540 L CB 0.112 42.175 42.059 0.005 0.000 2.432 540 L HN 0.010 nan 8.230 nan 0.000 0.546 541 V N -0.077 120.031 119.914 0.322 0.000 0.688 541 V HA -0.607 3.515 4.120 0.003 0.000 0.092 541 V C 1.936 178.297 176.094 0.445 0.000 0.851 541 V CA 2.744 65.284 62.300 0.400 0.000 3.111 541 V CB -1.562 30.599 31.823 0.564 0.000 0.234 541 V HN 0.980 nan 8.190 nan 0.000 0.169 542 H N -0.330 119.024 119.070 0.474 0.000 1.682 542 H HA -0.384 4.174 4.556 0.003 0.000 0.142 542 H C 1.815 177.330 175.328 0.310 0.000 1.197 542 H CA 2.301 58.527 56.048 0.296 0.000 1.770 542 H CB -0.649 29.104 29.762 -0.015 0.000 2.113 542 H HN 0.886 nan 8.280 nan 0.000 0.894 543 H N -0.386 118.894 119.070 0.350 0.000 2.561 543 H HA -0.066 4.492 4.556 0.003 0.000 0.289 543 H C 1.899 177.350 175.328 0.204 0.000 1.054 543 H CA 0.494 56.658 56.048 0.193 0.000 1.210 543 H CB 0.076 29.891 29.762 0.088 0.000 1.353 543 H HN 0.399 nan 8.280 nan 0.000 0.601 544 I N -0.823 119.964 120.570 0.362 0.000 2.729 544 I HA -0.146 4.026 4.170 0.003 0.000 0.256 544 I C 1.941 178.164 176.117 0.178 0.000 1.115 544 I CA 0.468 61.912 61.300 0.239 0.000 1.446 544 I CB -0.143 37.877 38.000 0.034 0.000 1.176 544 I HN 0.481 nan 8.210 nan 0.000 0.446 545 H N 0.989 120.161 119.070 0.170 0.000 2.357 545 H HA -0.030 4.528 4.556 0.003 0.000 0.301 545 H C 2.359 177.809 175.328 0.203 0.000 1.082 545 H CA 1.190 57.328 56.048 0.149 0.000 1.342 545 H CB -0.093 29.773 29.762 0.174 0.000 1.389 545 H HN 0.317 nan 8.280 nan 0.000 0.511 546 A N 2.132 125.208 122.820 0.426 0.000 1.940 546 A HA -0.182 4.140 4.320 0.003 0.000 0.219 546 A C 1.943 179.772 177.584 0.408 0.000 1.176 546 A CA 1.281 53.545 52.037 0.378 0.000 0.631 546 A CB -0.720 18.488 19.000 0.346 0.000 0.814 546 A HN 0.320 nan 8.150 nan 0.000 0.446 547 F N 1.286 121.330 119.950 0.157 0.000 2.069 547 F HA 0.071 4.600 4.527 0.003 0.000 0.287 547 F C 2.432 178.353 175.800 0.201 0.000 1.369 547 F CA 1.888 59.924 58.000 0.061 0.000 1.125 547 F CB -1.260 37.725 39.000 -0.025 0.000 0.947 547 F HN 0.489 nan 8.300 nan 0.000 0.508 548 T N 1.121 115.207 114.554 -0.781 0.000 3.975 548 T HA -0.407 3.944 4.350 0.003 0.000 0.187 548 T C 1.618 176.181 174.700 -0.228 0.000 1.633 548 T CA 2.985 64.717 62.100 -0.612 0.000 1.110 548 T CB -2.297 66.417 68.868 -0.256 0.000 1.122 548 T HN 0.532 nan 8.240 nan 0.000 0.549 549 I N 1.536 122.100 120.570 -0.010 0.000 3.493 549 I HA 0.071 4.243 4.170 0.003 0.000 0.311 549 I C 1.773 177.787 176.117 -0.172 0.000 1.210 549 I CA 0.682 61.960 61.300 -0.036 0.000 1.210 549 I CB -0.728 37.280 38.000 0.012 0.000 0.993 549 I HN 0.433 nan 8.210 nan 0.000 0.539 550 H N 0.171 119.226 119.070 -0.025 0.000 3.309 550 H HA 0.077 4.635 4.556 0.003 0.000 0.195 550 H C 1.746 177.032 175.328 -0.069 0.000 1.202 550 H CA 0.686 56.752 56.048 0.029 0.000 1.470 550 H CB -0.450 29.405 29.762 0.156 0.000 1.411 550 H HN 0.047 nan 8.280 nan 0.000 0.477 551 V N 2.000 121.938 119.914 0.039 0.000 3.456 551 V HA -0.072 4.050 4.120 0.003 0.000 0.271 551 V C 0.644 176.367 176.094 -0.618 0.000 1.242 551 V CA 1.894 64.034 62.300 -0.266 0.000 1.209 551 V CB -1.787 29.901 31.823 -0.224 0.000 0.961 551 V HN 0.734 nan 8.190 nan 0.000 0.521 552 T N -2.650 111.670 114.554 -0.391 0.000 2.987 552 T HA 0.292 4.643 4.350 0.003 0.000 0.248 552 T C 0.792 175.390 174.700 -0.170 0.000 0.997 552 T CA 0.632 62.531 62.100 -0.335 0.000 1.013 552 T CB -0.011 68.739 68.868 -0.196 0.000 1.077 552 T HN 0.481 nan 8.240 nan 0.000 0.483 553 V N 2.318 122.154 119.914 -0.130 0.000 3.799 553 V HA 0.320 4.441 4.120 0.003 0.000 0.273 553 V C 1.673 177.721 176.094 -0.077 0.000 0.973 553 V CA -0.607 61.645 62.300 -0.080 0.000 0.979 553 V CB -0.229 31.552 31.823 -0.071 0.000 1.242 553 V HN 0.537 nan 8.190 nan 0.000 0.426 554 L N -1.830 119.376 121.223 -0.029 0.000 4.137 554 L HA -0.224 4.118 4.340 0.003 0.000 0.421 554 L C 0.388 177.223 176.870 -0.058 0.000 1.162 554 L CA 1.988 56.818 54.840 -0.016 0.000 0.978 554 L CB -1.390 40.669 42.059 0.000 0.000 1.957 554 L HN 0.827 nan 8.230 nan 0.000 0.978 555 I N -1.651 118.880 120.570 -0.064 0.000 4.779 555 I HA 0.239 4.410 4.170 0.003 0.000 0.339 555 I C 1.380 177.476 176.117 -0.034 0.000 1.293 555 I CA 0.173 61.421 61.300 -0.087 0.000 1.324 555 I CB 0.317 38.239 38.000 -0.131 0.000 1.424 555 I HN 0.333 nan 8.210 nan 0.000 0.489 556 L N -1.748 119.488 121.223 0.022 0.000 7.836 556 L HA -0.370 3.972 4.340 0.003 0.000 0.064 556 L C 1.456 178.354 176.870 0.047 0.000 1.275 556 L CA 0.506 55.362 54.840 0.027 0.000 1.424 556 L CB -1.568 40.484 42.059 -0.012 0.000 2.916 556 L HN 0.057 nan 8.230 nan 0.000 1.197 557 L N 0.439 121.694 121.223 0.053 0.000 1.991 557 L HA -0.247 4.095 4.340 0.003 0.000 0.221 557 L C 2.634 179.598 176.870 0.157 0.000 1.079 557 L CA 2.875 57.775 54.840 0.100 0.000 0.778 557 L CB -0.745 41.370 42.059 0.093 0.000 0.893 557 L HN 0.577 nan 8.230 nan 0.000 0.437 558 K N -0.626 119.838 120.400 0.105 0.000 2.030 558 K HA -0.261 4.061 4.320 0.003 0.000 0.222 558 K C 1.682 178.351 176.600 0.115 0.000 1.056 558 K CA 2.181 58.514 56.287 0.077 0.000 0.957 558 K CB -0.889 31.512 32.500 -0.164 0.000 0.727 558 K HN 0.500 nan 8.250 nan 0.000 0.452 559 G N 0.128 108.858 108.800 -0.116 0.000 2.985 559 G HA2 0.027 3.989 3.960 0.003 0.000 0.209 559 G HA3 0.027 3.989 3.960 0.003 0.000 0.209 559 G C 1.342 176.424 174.900 0.304 0.000 1.165 559 G CA 0.592 45.608 45.100 -0.140 0.000 0.776 559 G HN 0.356 nan 8.290 nan 0.000 0.541 560 V N -2.050 118.007 119.914 0.238 0.000 2.575 560 V HA 0.205 4.327 4.120 0.003 0.000 0.242 560 V C 2.382 178.620 176.094 0.240 0.000 1.045 560 V CA 0.458 62.904 62.300 0.243 0.000 1.065 560 V CB -0.498 31.429 31.823 0.172 0.000 0.717 560 V HN 0.100 nan 8.190 nan 0.000 0.467 561 L N -0.164 121.193 121.223 0.223 0.000 1.925 561 L HA 0.151 4.492 4.340 0.003 0.000 0.214 561 L C 1.069 178.015 176.870 0.126 0.000 1.091 561 L CA 1.336 56.241 54.840 0.110 0.000 0.768 561 L CB -1.100 40.950 42.059 -0.015 0.000 0.887 561 L HN 0.278 nan 8.230 nan 0.000 0.433 562 F N -0.164 119.846 119.950 0.101 0.000 2.608 562 F HA 0.321 4.850 4.527 0.003 0.000 0.380 562 F C 0.805 176.722 175.800 0.195 0.000 1.083 562 F CA 0.285 58.359 58.000 0.123 0.000 1.266 562 F CB -0.389 38.679 39.000 0.113 0.000 1.076 562 F HN 0.198 nan 8.300 nan 0.000 0.574 563 A N 2.607 125.654 122.820 0.378 0.000 2.401 563 A HA 0.149 4.471 4.320 0.003 0.000 0.214 563 A C 1.248 178.990 177.584 0.262 0.000 2.838 563 A CA 0.218 52.471 52.037 0.359 0.000 1.503 563 A CB -0.254 18.956 19.000 0.350 0.000 0.428 563 A HN 0.830 nan 8.150 nan 0.000 0.519 564 R N -1.281 119.332 120.500 0.188 0.000 2.658 564 R HA 0.224 4.566 4.340 0.003 0.000 0.223 564 R C 0.835 177.181 176.300 0.077 0.000 0.985 564 R CA 1.192 57.359 56.100 0.111 0.000 1.290 564 R CB -0.329 30.026 30.300 0.092 0.000 1.723 564 R HN 0.524 nan 8.270 nan 0.000 0.527 565 S N -0.666 115.095 115.700 0.102 0.000 2.817 565 S HA 0.240 4.712 4.470 0.003 0.000 0.262 565 S C 0.052 174.725 174.600 0.123 0.000 1.051 565 S CA -0.313 57.930 58.200 0.073 0.000 1.185 565 S CB 0.682 63.899 63.200 0.028 0.000 1.152 565 S HN 0.115 nan 8.310 nan 0.000 0.653 566 S N 3.067 118.899 115.700 0.220 0.000 3.805 566 S HA -0.122 4.350 4.470 0.003 0.000 0.456 566 S C 1.148 175.909 174.600 0.268 0.000 1.125 566 S CA 0.078 58.489 58.200 0.353 0.000 0.905 566 S CB -0.032 63.361 63.200 0.322 0.000 0.653 566 S HN 0.523 nan 8.310 nan 0.000 0.483 567 R N 3.326 124.048 120.500 0.370 0.000 2.476 567 R HA -0.072 4.269 4.340 0.003 0.000 0.214 567 R C 0.186 176.578 176.300 0.152 0.000 1.196 567 R CA 0.747 56.987 56.100 0.234 0.000 1.172 567 R CB -0.209 30.268 30.300 0.295 0.000 0.796 567 R HN 0.541 nan 8.270 nan 0.000 0.491 568 L N 0.623 121.928 121.223 0.136 0.000 2.977 568 L HA 0.235 4.576 4.340 0.003 0.000 0.338 568 L C -1.201 175.717 176.870 0.080 0.000 1.291 568 L CA 0.045 54.938 54.840 0.088 0.000 0.747 568 L CB 0.792 42.893 42.059 0.070 0.000 1.160 568 L HN 0.102 nan 8.230 nan 0.000 0.567 569 I N 0.839 121.452 120.570 0.073 0.000 2.361 569 I HA 0.045 4.216 4.170 0.003 0.000 0.311 569 I C -2.549 173.583 176.117 0.025 0.000 1.660 569 I CA 0.037 61.363 61.300 0.043 0.000 0.753 569 I CB 1.008 39.035 38.000 0.046 0.000 1.907 569 I HN 0.017 nan 8.210 nan 0.000 0.564 570 P HA 0.458 nan 4.420 nan 0.000 0.273 570 P C -0.486 176.821 177.300 0.011 0.000 1.428 570 P CA 0.477 63.599 63.100 0.037 0.000 0.995 570 P CB -0.016 31.707 31.700 0.038 0.000 1.286 571 D N 0.260 120.662 120.400 0.002 0.000 4.433 571 D HA -0.102 4.539 4.640 0.003 0.000 0.100 571 D C 0.979 177.247 176.300 -0.054 0.000 0.402 571 D CA -0.437 53.550 54.000 -0.023 0.000 0.576 571 D CB -1.378 39.403 40.800 -0.032 0.000 1.643 571 D HN 0.089 nan 8.370 nan 0.000 0.038 572 K N 1.523 121.892 120.400 -0.051 0.000 2.015 572 K HA -0.102 4.220 4.320 0.003 0.000 0.216 572 K C 1.317 177.819 176.600 -0.164 0.000 1.052 572 K CA 1.593 57.796 56.287 -0.140 0.000 0.937 572 K CB -0.424 32.017 32.500 -0.097 0.000 0.719 572 K HN 0.338 nan 8.250 nan 0.000 0.446 573 A N 2.225 124.999 122.820 -0.076 0.000 3.616 573 A HA -0.136 4.185 4.320 0.003 0.000 0.285 573 A C 0.110 177.647 177.584 -0.078 0.000 2.217 573 A CA 0.958 52.961 52.037 -0.056 0.000 1.410 573 A CB -0.800 18.184 19.000 -0.026 0.000 0.756 573 A HN 0.582 nan 8.150 nan 0.000 0.545 574 N N -0.664 117.962 118.700 -0.123 0.000 1.856 574 N HA 0.001 4.743 4.740 0.003 0.000 0.223 574 N C 0.077 175.488 175.510 -0.165 0.000 1.438 574 N CA -0.177 52.799 53.050 -0.123 0.000 0.693 574 N CB 0.346 38.758 38.487 -0.125 0.000 1.051 574 N HN 0.388 nan 8.380 nan 0.000 0.563 575 L N 0.127 121.206 121.223 -0.240 0.000 2.902 575 L HA 0.405 4.747 4.340 0.003 0.000 0.254 575 L C 1.193 178.036 176.870 -0.045 0.000 1.115 575 L CA 0.924 55.627 54.840 -0.228 0.000 0.947 575 L CB 0.012 41.723 42.059 -0.580 0.000 1.369 575 L HN 0.233 nan 8.230 nan 0.000 0.538 576 G N -0.171 108.626 108.800 -0.005 0.000 2.409 576 G HA2 -0.238 3.723 3.960 0.003 0.000 0.421 576 G HA3 -0.238 3.723 3.960 0.003 0.000 0.421 576 G C -0.015 175.030 174.900 0.241 0.000 1.259 576 G CA -0.016 45.147 45.100 0.105 0.000 1.011 576 G HN -0.067 nan 8.290 nan 0.000 0.497 577 F N 1.923 121.935 119.950 0.104 0.000 2.059 577 F HA 0.160 4.688 4.527 0.003 0.000 0.289 577 F C 2.867 178.790 175.800 0.205 0.000 1.128 577 F CA 2.225 60.325 58.000 0.167 0.000 1.181 577 F CB -0.795 38.306 39.000 0.169 0.000 1.012 577 F HN 0.697 nan 8.300 nan 0.000 0.473 578 R N 1.266 121.578 120.500 -0.312 0.000 2.205 578 R HA -0.178 4.163 4.340 0.003 0.000 0.221 578 R C 0.221 176.253 176.300 -0.447 0.000 1.101 578 R CA 1.101 56.726 56.100 -0.792 0.000 0.869 578 R CB -1.828 27.694 30.300 -1.295 0.000 0.815 578 R HN 0.341 nan 8.270 nan 0.000 0.434 579 F N -0.136 119.581 119.950 -0.387 0.000 1.991 579 F HA -0.198 4.331 4.527 0.003 0.000 0.314 579 F C -2.436 173.194 175.800 -0.284 0.000 1.086 579 F CA -0.974 56.869 58.000 -0.261 0.000 1.051 579 F CB -1.101 37.812 39.000 -0.146 0.000 1.625 579 F HN 0.094 nan 8.300 nan 0.000 0.737 580 P HA -0.078 nan 4.420 nan 0.000 0.217 580 P C 1.243 178.148 177.300 -0.659 0.000 1.235 580 P CA 1.982 64.790 63.100 -0.485 0.000 0.726 580 P CB -0.104 31.449 31.700 -0.245 0.000 0.664 581 C N -2.002 117.127 119.300 -0.285 0.000 2.057 581 C HA 0.499 4.961 4.460 0.003 0.000 0.076 581 C C 0.857 175.980 174.990 0.222 0.000 2.621 581 C CA 1.024 59.965 59.018 -0.128 0.000 1.872 581 C CB -0.290 27.406 27.740 -0.074 0.000 2.708 581 C HN 0.637 nan 8.230 nan 0.000 0.295 582 D N 0.180 120.668 120.400 0.146 0.000 2.938 582 D HA 0.170 4.812 4.640 0.003 0.000 0.089 582 D C 0.621 176.958 176.300 0.061 0.000 1.496 582 D CA 0.508 54.586 54.000 0.129 0.000 1.254 582 D CB -0.594 40.294 40.800 0.146 0.000 2.556 582 D HN 0.929 nan 8.370 nan 0.000 0.265 583 G N 1.821 110.653 108.800 0.054 0.000 2.340 583 G HA2 0.394 4.356 3.960 0.003 0.000 0.245 583 G HA3 0.394 4.356 3.960 0.003 0.000 0.245 583 G C -1.401 173.512 174.900 0.022 0.000 1.294 583 G CA -0.534 44.584 45.100 0.031 0.000 0.896 583 G HN 0.238 nan 8.290 nan 0.000 0.522 584 P HA -0.026 nan 4.420 nan 0.000 0.226 584 P C 1.381 178.685 177.300 0.008 0.000 1.153 584 P CA 0.849 63.953 63.100 0.007 0.000 0.777 584 P CB 0.275 31.977 31.700 0.003 0.000 0.794 585 G N -0.157 108.649 108.800 0.010 0.000 2.553 585 G HA2 0.089 4.050 3.960 0.003 0.000 0.278 585 G HA3 0.089 4.050 3.960 0.003 0.000 0.278 585 G C 0.309 175.217 174.900 0.014 0.000 1.349 585 G CA -0.506 44.600 45.100 0.010 0.000 1.037 585 G HN -0.006 nan 8.290 nan 0.000 0.508 586 R N -1.439 119.069 120.500 0.013 0.000 3.891 586 R HA -0.202 4.140 4.340 0.003 0.000 0.297 586 R C 1.335 177.643 176.300 0.013 0.000 1.226 586 R CA 0.978 57.087 56.100 0.014 0.000 0.848 586 R CB -1.599 28.714 30.300 0.021 0.000 1.224 586 R HN 1.915 nan 8.270 nan 0.000 0.530 587 G N -0.824 107.982 108.800 0.009 0.000 2.371 587 G HA2 -0.007 3.955 3.960 0.003 0.000 0.299 587 G HA3 -0.007 3.955 3.960 0.003 0.000 0.299 587 G C 0.557 175.462 174.900 0.008 0.000 1.014 587 G CA 0.744 45.848 45.100 0.007 0.000 1.097 587 G HN 1.257 nan 8.290 nan 0.000 0.512 588 G N -1.093 107.713 108.800 0.011 0.000 2.932 588 G HA2 0.374 4.336 3.960 0.003 0.000 0.180 588 G HA3 0.374 4.336 3.960 0.003 0.000 0.180 588 G C 0.092 175.004 174.900 0.018 0.000 1.072 588 G CA 0.371 45.477 45.100 0.010 0.000 0.997 588 G HN 2.408 nan 8.290 nan 0.000 0.541 589 T N -1.657 112.912 114.554 0.026 0.000 2.762 589 T HA 0.701 5.053 4.350 0.003 0.000 0.303 589 T C 0.464 175.185 174.700 0.035 0.000 0.977 589 T CA -0.230 61.896 62.100 0.042 0.000 0.961 589 T CB 1.604 70.508 68.868 0.060 0.000 0.944 589 T HN 0.688 nan 8.240 nan 0.000 0.481 590 C N 2.261 121.575 119.300 0.023 0.000 3.301 590 C HA 0.547 5.009 4.460 0.003 0.000 0.367 590 C C 0.112 175.087 174.990 -0.024 0.000 1.980 590 C CA -0.628 58.382 59.018 -0.013 0.000 1.349 590 C CB 1.473 29.197 27.740 -0.027 0.000 2.412 590 C HN 1.039 nan 8.230 nan 0.000 0.451 591 Q N 0.095 119.846 119.800 -0.083 0.000 2.377 591 Q HA -0.167 4.175 4.340 0.003 0.000 0.368 591 Q C 0.333 176.322 176.000 -0.018 0.000 1.284 591 Q CA 0.396 56.161 55.803 -0.063 0.000 1.172 591 Q CB -0.441 28.330 28.738 0.056 0.000 1.331 591 Q HN 0.593 nan 8.270 nan 0.000 0.311 592 V N -0.786 119.035 119.914 -0.154 0.000 2.721 592 V HA -0.018 4.103 4.120 0.003 0.000 0.236 592 V C 0.629 176.459 176.094 -0.440 0.000 1.116 592 V CA 0.880 63.177 62.300 -0.005 0.000 1.148 592 V CB 0.445 32.425 31.823 0.261 0.000 0.886 592 V HN 0.530 nan 8.190 nan 0.000 0.490 593 S N 1.428 116.801 115.700 -0.545 0.000 2.631 593 S HA -0.016 4.456 4.470 0.003 0.000 0.311 593 S C 1.422 175.566 174.600 -0.760 0.000 1.254 593 S CA 0.424 58.360 58.200 -0.440 0.000 1.039 593 S CB 0.527 63.362 63.200 -0.608 0.000 0.753 593 S HN 0.634 nan 8.310 nan 0.000 0.494 594 A N 2.761 125.416 122.820 -0.275 0.000 1.933 594 A HA -0.131 4.190 4.320 0.003 0.000 0.218 594 A C 1.689 179.248 177.584 -0.042 0.000 1.175 594 A CA 1.557 53.637 52.037 0.071 0.000 0.628 594 A CB -1.017 18.258 19.000 0.458 0.000 0.814 594 A HN 1.039 nan 8.150 nan 0.000 0.444 595 W N 1.984 122.907 121.300 -0.627 0.000 2.305 595 W HA -0.320 4.341 4.660 0.003 0.000 0.308 595 W C 1.508 177.799 176.519 -0.381 0.000 1.226 595 W CA 2.403 59.218 57.345 -0.883 0.000 1.253 595 W CB -0.055 28.612 29.460 -1.322 0.000 1.146 595 W HN 0.629 nan 8.180 nan 0.000 0.507 596 D N -3.045 117.388 120.400 0.056 0.000 2.354 596 D HA -0.129 4.513 4.640 0.003 0.000 0.209 596 D C 1.680 178.025 176.300 0.076 0.000 1.015 596 D CA 0.882 54.942 54.000 0.101 0.000 0.867 596 D CB -0.990 39.871 40.800 0.102 0.000 0.933 596 D HN 0.190 nan 8.370 nan 0.000 0.520 597 H N 0.133 119.220 119.070 0.028 0.000 2.457 597 H HA 0.049 4.607 4.556 0.003 0.000 0.294 597 H C 2.000 177.309 175.328 -0.032 0.000 1.064 597 H CA 0.578 56.644 56.048 0.029 0.000 1.330 597 H CB -0.191 29.609 29.762 0.063 0.000 1.395 597 H HN 0.144 nan 8.280 nan 0.000 0.541 598 V N 0.690 120.598 119.914 -0.009 0.000 2.488 598 V HA -0.160 3.962 4.120 0.003 0.000 0.246 598 V C 2.038 177.923 176.094 -0.348 0.000 1.046 598 V CA 0.823 63.014 62.300 -0.183 0.000 1.053 598 V CB -0.612 31.078 31.823 -0.221 0.000 0.679 598 V HN 0.272 nan 8.190 nan 0.000 0.458 599 F N 0.950 120.584 119.950 -0.525 0.000 2.481 599 F HA -0.159 4.370 4.527 0.003 0.000 0.297 599 F C 1.475 177.007 175.800 -0.447 0.000 1.095 599 F CA 1.943 59.611 58.000 -0.554 0.000 1.465 599 F CB 0.183 38.961 39.000 -0.371 0.000 1.098 599 F HN 0.278 nan 8.300 nan 0.000 0.585 600 L N -4.439 116.558 121.223 -0.377 0.000 3.284 600 L HA 0.559 4.901 4.340 0.003 0.000 0.294 600 L C 1.985 178.793 176.870 -0.105 0.000 1.183 600 L CA 0.588 55.268 54.840 -0.267 0.000 1.056 600 L CB -1.122 41.025 42.059 0.147 0.000 1.513 600 L HN -0.116 nan 8.230 nan 0.000 0.601 601 G N 2.749 111.483 108.800 -0.111 0.000 2.703 601 G HA2 -0.321 3.641 3.960 0.003 0.000 0.222 601 G HA3 -0.321 3.641 3.960 0.003 0.000 0.222 601 G C 1.271 176.110 174.900 -0.101 0.000 1.183 601 G CA 2.108 47.158 45.100 -0.085 0.000 0.775 601 G HN 0.353 nan 8.290 nan 0.000 0.615 602 L N -0.823 120.235 121.223 -0.275 0.000 1.910 602 L HA -0.030 4.311 4.340 0.003 0.000 0.221 602 L C 2.672 179.506 176.870 -0.059 0.000 1.084 602 L CA 1.644 56.333 54.840 -0.252 0.000 0.779 602 L CB -1.214 40.549 42.059 -0.493 0.000 0.888 602 L HN 0.200 nan 8.230 nan 0.000 0.432 603 F N -0.779 119.141 119.950 -0.049 0.000 2.065 603 F HA -0.388 4.140 4.527 0.003 0.000 0.290 603 F C 2.364 178.296 175.800 0.221 0.000 1.079 603 F CA 2.025 60.025 58.000 -0.001 0.000 1.261 603 F CB -0.870 37.982 39.000 -0.246 0.000 0.968 603 F HN 0.128 nan 8.300 nan 0.000 0.496 604 W N 0.070 121.496 121.300 0.210 0.000 2.317 604 W HA -0.315 4.347 4.660 0.003 0.000 0.318 604 W C 2.680 179.271 176.519 0.119 0.000 1.227 604 W CA 1.863 59.283 57.345 0.124 0.000 1.269 604 W CB -0.729 28.742 29.460 0.018 0.000 1.155 604 W HN 0.054 nan 8.180 nan 0.000 0.484 605 M N -0.320 119.499 119.600 0.365 0.000 2.308 605 M HA -0.411 4.070 4.480 0.003 0.000 0.257 605 M C 2.311 178.805 176.300 0.322 0.000 1.070 605 M CA 2.598 58.066 55.300 0.281 0.000 1.080 605 M CB -1.574 31.192 32.600 0.277 0.000 1.274 605 M HN 0.241 nan 8.290 nan 0.000 0.434 606 Y N 1.241 121.794 120.300 0.422 0.000 2.029 606 Y HA -0.403 4.149 4.550 0.003 0.000 0.269 606 Y C 1.975 178.060 175.900 0.308 0.000 1.201 606 Y CA 2.888 61.319 58.100 0.551 0.000 1.115 606 Y CB -1.204 37.591 38.460 0.559 0.000 0.945 606 Y HN 0.567 nan 8.280 nan 0.000 0.497 607 N N -0.721 118.040 118.700 0.101 0.000 2.272 607 N HA -0.164 4.577 4.740 0.003 0.000 0.185 607 N C 1.593 177.011 175.510 -0.153 0.000 1.014 607 N CA 1.728 54.684 53.050 -0.157 0.000 0.870 607 N CB -0.179 38.198 38.487 -0.182 0.000 0.975 607 N HN 0.579 nan 8.380 nan 0.000 0.433 608 S N -0.838 114.853 115.700 -0.015 0.000 2.510 608 S HA 0.141 4.613 4.470 0.003 0.000 0.230 608 S C 1.799 176.342 174.600 -0.095 0.000 1.066 608 S CA -0.088 58.090 58.200 -0.037 0.000 0.941 608 S CB -0.008 63.221 63.200 0.049 0.000 0.829 608 S HN 0.084 nan 8.310 nan 0.000 0.530 609 I N 2.714 123.207 120.570 -0.127 0.000 2.163 609 I HA -0.034 4.137 4.170 0.003 0.000 0.240 609 I C 2.621 178.436 176.117 -0.503 0.000 1.081 609 I CA 1.428 62.516 61.300 -0.352 0.000 1.353 609 I CB -1.189 36.464 38.000 -0.579 0.000 1.054 609 I HN 0.417 nan 8.210 nan 0.000 0.407 610 S N -0.047 115.371 115.700 -0.471 0.000 2.603 610 S HA 0.000 4.472 4.470 0.003 0.000 0.229 610 S C 0.781 175.185 174.600 -0.326 0.000 0.972 610 S CA 0.036 58.085 58.200 -0.252 0.000 0.935 610 S CB -0.351 62.690 63.200 -0.266 0.000 0.769 610 S HN 0.128 nan 8.310 nan 0.000 0.536 611 V N -0.317 119.422 119.914 -0.293 0.000 3.211 611 V HA 0.532 4.654 4.120 0.003 0.000 0.319 611 V C 1.074 177.124 176.094 -0.074 0.000 1.096 611 V CA 0.310 62.476 62.300 -0.223 0.000 1.029 611 V CB 1.718 33.374 31.823 -0.279 0.000 1.137 611 V HN 0.290 nan 8.190 nan 0.000 0.453 612 V N 2.281 122.214 119.914 0.031 0.000 0.492 612 V HA -0.300 3.822 4.120 0.003 0.000 0.092 612 V C 1.480 177.733 176.094 0.264 0.000 2.354 612 V CA 1.659 64.085 62.300 0.208 0.000 3.624 612 V CB -2.189 29.760 31.823 0.210 0.000 0.908 612 V HN 0.786 nan 8.190 nan 0.000 0.952 613 I N -0.157 120.514 120.570 0.169 0.000 2.094 613 I HA -0.301 3.871 4.170 0.003 0.000 0.236 613 I C 1.966 178.265 176.117 0.304 0.000 1.016 613 I CA 2.975 64.391 61.300 0.194 0.000 1.294 613 I CB -0.546 37.585 38.000 0.219 0.000 1.006 613 I HN 0.468 nan 8.210 nan 0.000 0.397 614 F N 0.226 120.249 119.950 0.122 0.000 2.050 614 F HA -0.399 4.130 4.527 0.003 0.000 0.294 614 F C 2.740 178.710 175.800 0.284 0.000 1.113 614 F CA 2.521 60.610 58.000 0.149 0.000 1.225 614 F CB -1.414 37.573 39.000 -0.022 0.000 0.953 614 F HN 0.373 nan 8.300 nan 0.000 0.501 615 H N -1.194 118.126 119.070 0.416 0.000 2.289 615 H HA -0.313 4.244 4.556 0.003 0.000 0.294 615 H C 2.376 177.854 175.328 0.250 0.000 1.095 615 H CA 2.051 58.352 56.048 0.422 0.000 1.256 615 H CB -0.695 29.321 29.762 0.423 0.000 1.359 615 H HN 0.310 nan 8.280 nan 0.000 0.487 616 F N 1.755 121.885 119.950 0.300 0.000 2.041 616 F HA -0.278 4.250 4.527 0.003 0.000 0.296 616 F C 1.379 177.042 175.800 -0.228 0.000 1.147 616 F CA 1.764 59.693 58.000 -0.119 0.000 1.214 616 F CB -0.609 38.025 39.000 -0.611 0.000 0.947 616 F HN 0.078 nan 8.300 nan 0.000 0.511 617 S N 0.474 115.591 115.700 -0.971 0.000 4.117 617 S HA -0.035 4.437 4.470 0.003 0.000 0.191 617 S C -0.415 174.010 174.600 -0.292 0.000 1.308 617 S CA 0.392 58.017 58.200 -0.958 0.000 0.906 617 S CB -0.991 61.687 63.200 -0.870 0.000 1.565 617 S HN 0.682 nan 8.310 nan 0.000 0.439 618 W N 0.928 121.906 121.300 -0.538 0.000 0.484 618 W HA 0.216 4.878 4.660 0.003 0.000 0.131 618 W C 0.312 176.392 176.519 -0.732 0.000 0.590 618 W CA -0.331 56.775 57.345 -0.399 0.000 0.239 618 W CB -0.566 28.980 29.460 0.143 0.000 0.657 618 W HN 0.245 nan 8.180 nan 0.000 0.323 619 K N 0.774 120.803 120.400 -0.618 0.000 2.167 619 K HA 0.304 4.625 4.320 0.003 0.000 0.214 619 K C 0.828 176.908 176.600 -0.866 0.000 1.024 619 K CA 0.856 56.661 56.287 -0.802 0.000 0.951 619 K CB -0.877 31.366 32.500 -0.429 0.000 0.907 619 K HN -0.175 nan 8.250 nan 0.000 0.459 620 M N 2.840 121.854 119.600 -0.977 0.000 2.889 620 M HA -0.042 4.439 4.480 0.003 0.000 0.365 620 M C -0.600 174.232 176.300 -2.447 0.000 1.815 620 M CA 1.170 55.435 55.300 -1.725 0.000 1.289 620 M CB -1.276 30.461 32.600 -1.438 0.000 2.087 620 M HN 0.348 nan 8.290 nan 0.000 0.468 621 Q N 1.624 120.312 119.800 -1.852 0.000 2.572 621 Q HA -0.142 4.200 4.340 0.003 0.000 0.234 621 Q C 0.763 176.431 176.000 -0.553 0.000 0.929 621 Q CA 0.676 55.958 55.803 -0.869 0.000 0.916 621 Q CB -0.833 27.450 28.738 -0.759 0.000 2.327 621 Q HN 0.976 nan 8.270 nan 0.000 0.563 622 S N -0.100 115.455 115.700 -0.241 0.000 2.220 622 S HA -0.373 4.098 4.470 0.003 0.000 0.222 622 S C 0.609 175.077 174.600 -0.220 0.000 1.257 622 S CA 2.520 60.664 58.200 -0.094 0.000 1.822 622 S CB -0.989 62.284 63.200 0.121 0.000 2.557 622 S HN 0.890 nan 8.310 nan 0.000 0.609 623 D N -0.252 119.828 120.400 -0.533 0.000 2.760 623 D HA 0.567 5.209 4.640 0.003 0.000 0.314 623 D C 0.347 176.223 176.300 -0.706 0.000 1.464 623 D CA 0.560 54.195 54.000 -0.608 0.000 0.797 623 D CB 1.081 41.526 40.800 -0.591 0.000 1.149 623 D HN 0.383 nan 8.370 nan 0.000 0.455 624 V N -0.572 118.850 119.914 -0.821 0.000 3.339 624 V HA 0.158 4.280 4.120 0.003 0.000 0.201 624 V C -0.381 175.472 176.094 -0.402 0.000 1.489 624 V CA -0.226 61.712 62.300 -0.604 0.000 1.228 624 V CB 0.310 31.835 31.823 -0.496 0.000 1.152 624 V HN 0.076 nan 8.190 nan 0.000 0.519 625 W N 1.230 122.280 121.300 -0.417 0.000 2.093 625 W HA 0.630 5.291 4.660 0.003 0.000 0.352 625 W C 0.781 177.236 176.519 -0.106 0.000 1.294 625 W CA 0.644 57.778 57.345 -0.352 0.000 1.290 625 W CB -0.233 28.695 29.460 -0.887 0.000 1.149 625 W HN 0.364 nan 8.180 nan 0.000 0.606 626 G N -0.401 108.592 108.800 0.321 0.000 2.815 626 G HA2 0.596 4.558 3.960 0.003 0.000 0.305 626 G HA3 0.596 4.558 3.960 0.003 0.000 0.305 626 G C -0.264 174.780 174.900 0.240 0.000 1.277 626 G CA 0.167 45.451 45.100 0.306 0.000 0.795 626 G HN 0.408 nan 8.290 nan 0.000 0.528 627 T N -2.897 111.761 114.554 0.173 0.000 3.824 627 T HA 0.470 4.821 4.350 0.003 0.000 0.274 627 T C 0.239 174.994 174.700 0.092 0.000 0.906 627 T CA 0.738 62.911 62.100 0.122 0.000 1.170 627 T CB -0.060 68.858 68.868 0.084 0.000 1.047 627 T HN 1.838 nan 8.240 nan 0.000 0.421 628 I N 2.583 123.196 120.570 0.072 0.000 8.489 628 I HA -0.041 4.131 4.170 0.003 0.000 0.309 628 I C -0.724 175.411 176.117 0.030 0.000 1.859 628 I CA 0.604 61.934 61.300 0.050 0.000 2.036 628 I CB 0.160 38.195 38.000 0.058 0.000 3.840 628 I HN 0.975 nan 8.210 nan 0.000 0.171 629 N N 2.276 120.989 118.700 0.021 0.000 2.687 629 N HA 0.593 5.334 4.740 0.003 0.000 0.181 629 N C -1.818 173.700 175.510 0.013 0.000 1.782 629 N CA 0.286 53.343 53.050 0.012 0.000 1.256 629 N CB 1.011 39.498 38.487 0.001 0.000 2.068 629 N HN 0.674 nan 8.380 nan 0.000 0.467 630 D N -1.587 118.817 120.400 0.008 0.000 2.575 630 D HA 0.224 4.866 4.640 0.003 0.000 0.214 630 D C -0.994 175.308 176.300 0.004 0.000 1.100 630 D CA -0.260 53.745 54.000 0.009 0.000 0.790 630 D CB 0.930 41.738 40.800 0.014 0.000 2.767 630 D HN 0.448 nan 8.370 nan 0.000 0.474 631 Q N 0.582 120.384 119.800 0.004 0.000 1.556 631 Q HA 0.315 4.657 4.340 0.003 0.000 0.148 631 Q C 0.174 176.176 176.000 0.004 0.000 0.780 631 Q CA 0.647 56.452 55.803 0.003 0.000 0.726 631 Q CB 0.317 29.056 28.738 0.000 0.000 1.202 631 Q HN 1.411 nan 8.270 nan 0.000 0.349 632 G N 0.364 109.168 108.800 0.005 0.000 2.330 632 G HA2 -0.060 3.902 3.960 0.003 0.000 0.125 632 G HA3 -0.060 3.902 3.960 0.003 0.000 0.125 632 G C -0.546 174.355 174.900 0.002 0.000 1.060 632 G CA 0.023 45.127 45.100 0.008 0.000 0.743 632 G HN 0.655 nan 8.290 nan 0.000 0.480 633 V N -2.660 117.253 119.914 -0.002 0.000 2.637 633 V HA 0.561 4.682 4.120 0.003 0.000 0.274 633 V C 0.798 176.873 176.094 -0.031 0.000 1.004 633 V CA -0.414 61.871 62.300 -0.024 0.000 0.894 633 V CB 0.633 32.439 31.823 -0.029 0.000 1.046 633 V HN 0.203 nan 8.190 nan 0.000 0.467 634 V N 2.380 122.268 119.914 -0.042 0.000 2.591 634 V HA 0.004 4.126 4.120 0.003 0.000 0.249 634 V C 1.264 177.322 176.094 -0.061 0.000 1.053 634 V CA 2.194 64.490 62.300 -0.008 0.000 1.068 634 V CB -0.480 31.404 31.823 0.101 0.000 0.689 634 V HN 1.222 nan 8.190 nan 0.000 0.462 635 T N 1.263 115.665 114.554 -0.253 0.000 1.884 635 T HA -0.145 4.207 4.350 0.003 0.000 0.603 635 T C -0.395 174.230 174.700 -0.125 0.000 0.914 635 T CA 0.104 62.072 62.100 -0.220 0.000 3.205 635 T CB -1.023 67.801 68.868 -0.073 0.000 1.886 635 T HN 0.602 nan 8.240 nan 0.000 0.439 636 H N 2.814 121.877 119.070 -0.013 0.000 2.482 636 H HA 0.437 4.995 4.556 0.003 0.000 0.344 636 H C 1.753 177.059 175.328 -0.037 0.000 1.151 636 H CA -1.523 54.510 56.048 -0.026 0.000 1.300 636 H CB 0.458 30.181 29.762 -0.065 0.000 1.494 636 H HN 0.347 nan 8.280 nan 0.000 0.542 637 I N 0.604 121.233 120.570 0.098 0.000 2.113 637 I HA -0.283 3.889 4.170 0.003 0.000 0.242 637 I C 1.689 177.791 176.117 -0.024 0.000 1.057 637 I CA 1.983 63.290 61.300 0.012 0.000 1.314 637 I CB -1.163 36.833 38.000 -0.005 0.000 1.022 637 I HN 0.704 nan 8.210 nan 0.000 0.408 638 T N -1.783 112.760 114.554 -0.019 0.000 2.762 638 T HA 0.833 5.185 4.350 0.003 0.000 0.272 638 T C -0.070 174.654 174.700 0.040 0.000 0.982 638 T CA -0.427 61.658 62.100 -0.024 0.000 1.013 638 T CB 0.979 69.801 68.868 -0.076 0.000 1.309 638 T HN 0.322 nan 8.240 nan 0.000 0.572 639 A N -0.365 122.483 122.820 0.046 0.000 2.313 639 A HA 0.598 4.920 4.320 0.003 0.000 0.261 639 A C 1.393 179.034 177.584 0.095 0.000 1.090 639 A CA -0.203 51.866 52.037 0.054 0.000 0.807 639 A CB -0.608 18.417 19.000 0.042 0.000 1.055 639 A HN 1.378 nan 8.150 nan 0.000 0.492 640 G N 0.816 109.663 108.800 0.077 0.000 3.324 640 G HA2 0.063 4.024 3.960 0.003 0.000 0.232 640 G HA3 0.063 4.024 3.960 0.003 0.000 0.232 640 G C 0.604 175.541 174.900 0.062 0.000 1.213 640 G CA 0.421 45.561 45.100 0.067 0.000 1.637 640 G HN 0.877 nan 8.290 nan 0.000 0.572 641 N N 0.985 119.750 118.700 0.109 0.000 2.028 641 N HA -0.102 4.639 4.740 0.003 0.000 0.181 641 N C 1.427 176.983 175.510 0.078 0.000 1.107 641 N CA 0.772 53.900 53.050 0.131 0.000 0.920 641 N CB -0.665 37.978 38.487 0.259 0.000 1.029 641 N HN 0.364 nan 8.380 nan 0.000 0.430 642 F N -0.329 119.530 119.950 -0.151 0.000 2.017 642 F HA -0.489 4.040 4.527 0.003 0.000 0.310 642 F C 2.147 177.600 175.800 -0.578 0.000 1.227 642 F CA 3.508 61.054 58.000 -0.757 0.000 1.956 642 F CB -1.670 36.744 39.000 -0.977 0.000 0.710 642 F HN 0.453 nan 8.300 nan 0.000 0.227 643 A N -0.334 122.459 122.820 -0.044 0.000 1.913 643 A HA -0.375 3.947 4.320 0.003 0.000 0.236 643 A C 1.653 179.101 177.584 -0.225 0.000 1.760 643 A CA 3.521 55.504 52.037 -0.090 0.000 0.740 643 A CB -1.137 17.860 19.000 -0.006 0.000 0.847 643 A HN 0.900 nan 8.150 nan 0.000 0.508 644 Q N -3.064 116.624 119.800 -0.186 0.000 2.118 644 Q HA 0.412 4.754 4.340 0.003 0.000 0.219 644 Q C 0.572 176.475 176.000 -0.162 0.000 0.794 644 Q CA 0.708 56.413 55.803 -0.164 0.000 1.035 644 Q CB 0.455 29.141 28.738 -0.087 0.000 1.177 644 Q HN 0.410 nan 8.270 nan 0.000 0.478 645 S N 0.788 116.361 115.700 -0.211 0.000 2.937 645 S HA 0.139 4.610 4.470 0.003 0.000 0.252 645 S C 0.468 174.918 174.600 -0.250 0.000 1.022 645 S CA 0.145 58.264 58.200 -0.136 0.000 1.079 645 S CB 0.408 63.608 63.200 -0.000 0.000 1.035 645 S HN 0.397 nan 8.310 nan 0.000 0.594 646 S N 0.406 115.679 115.700 -0.713 0.000 2.846 646 S HA 0.280 4.751 4.470 0.003 0.000 0.249 646 S C 1.195 175.408 174.600 -0.647 0.000 1.028 646 S CA -0.487 57.025 58.200 -1.146 0.000 1.043 646 S CB -0.692 60.908 63.200 -2.667 0.000 0.990 646 S HN 0.545 nan 8.310 nan 0.000 0.564 647 I N 0.322 120.605 120.570 -0.479 0.000 2.209 647 I HA 0.037 4.208 4.170 0.003 0.000 0.220 647 I C 1.225 177.055 176.117 -0.479 0.000 1.056 647 I CA 0.114 61.168 61.300 -0.410 0.000 1.354 647 I CB -1.874 35.989 38.000 -0.229 0.000 1.145 647 I HN -0.028 nan 8.210 nan 0.000 0.396 648 T N 1.440 115.868 114.554 -0.209 0.000 2.647 648 T HA -0.124 4.228 4.350 0.003 0.000 0.238 648 T C 1.107 175.796 174.700 -0.019 0.000 1.019 648 T CA 0.646 62.690 62.100 -0.093 0.000 1.151 648 T CB -0.169 68.682 68.868 -0.028 0.000 1.026 648 T HN 0.297 nan 8.240 nan 0.000 0.463 649 I N 4.075 124.644 120.570 -0.002 0.000 2.068 649 I HA -0.327 3.845 4.170 0.003 0.000 0.238 649 I C 2.722 178.908 176.117 0.114 0.000 1.046 649 I CA 1.815 63.116 61.300 0.002 0.000 1.306 649 I CB -0.336 37.687 38.000 0.039 0.000 1.023 649 I HN 0.783 nan 8.210 nan 0.000 0.399 650 N N 1.500 120.303 118.700 0.172 0.000 2.103 650 N HA -0.281 4.461 4.740 0.003 0.000 0.200 650 N C 1.839 177.635 175.510 0.477 0.000 1.016 650 N CA 2.486 55.680 53.050 0.239 0.000 0.890 650 N CB -1.016 37.550 38.487 0.131 0.000 1.075 650 N HN 0.479 nan 8.380 nan 0.000 0.506 651 G N -1.313 107.734 108.800 0.412 0.000 4.021 651 G HA2 -0.229 3.732 3.960 0.003 0.000 0.220 651 G HA3 -0.229 3.732 3.960 0.003 0.000 0.220 651 G C 0.115 175.067 174.900 0.087 0.000 1.068 651 G CA 1.181 46.389 45.100 0.180 0.000 0.632 651 G HN 0.599 nan 8.290 nan 0.000 0.740 652 W N -1.469 119.916 121.300 0.141 0.000 2.506 652 W HA 0.662 5.324 4.660 0.003 0.000 0.394 652 W C 0.975 177.572 176.519 0.130 0.000 0.920 652 W CA -0.815 56.627 57.345 0.163 0.000 2.221 652 W CB -0.255 29.272 29.460 0.112 0.000 1.197 652 W HN 0.083 nan 8.180 nan 0.000 0.627 653 L N -1.403 119.984 121.223 0.272 0.000 1.978 653 L HA 0.186 4.528 4.340 0.003 0.000 0.210 653 L C 2.582 179.556 176.870 0.174 0.000 1.184 653 L CA -0.024 54.931 54.840 0.192 0.000 1.208 653 L CB -0.284 41.866 42.059 0.153 0.000 2.497 653 L HN -0.265 nan 8.230 nan 0.000 0.519 654 R N 1.889 122.483 120.500 0.157 0.000 2.235 654 R HA -0.186 4.156 4.340 0.003 0.000 0.222 654 R C -0.215 176.166 176.300 0.135 0.000 1.095 654 R CA 2.530 58.728 56.100 0.163 0.000 0.863 654 R CB -0.964 29.405 30.300 0.116 0.000 0.824 654 R HN 0.626 nan 8.270 nan 0.000 0.432 655 D N -1.379 119.026 120.400 0.008 0.000 2.930 655 D HA 0.093 4.735 4.640 0.003 0.000 0.304 655 D C 0.146 176.143 176.300 -0.504 0.000 1.298 655 D CA -0.226 53.650 54.000 -0.207 0.000 0.949 655 D CB -0.163 40.532 40.800 -0.174 0.000 1.013 655 D HN 0.299 nan 8.370 nan 0.000 0.510 656 F N 0.132 119.842 119.950 -0.400 0.000 3.043 656 F HA 0.211 4.740 4.527 0.003 0.000 0.400 656 F C -0.915 174.765 175.800 -0.200 0.000 1.022 656 F CA -0.102 57.640 58.000 -0.430 0.000 1.005 656 F CB 0.694 39.520 39.000 -0.289 0.000 1.338 656 F HN -0.048 nan 8.300 nan 0.000 0.543 657 L N -2.384 118.878 121.223 0.065 0.000 2.301 657 L HA 0.293 4.635 4.340 0.003 0.000 0.249 657 L C 0.464 177.396 176.870 0.103 0.000 1.069 657 L CA -1.028 53.829 54.840 0.027 0.000 0.865 657 L CB 0.084 42.173 42.059 0.050 0.000 1.467 657 L HN 0.119 nan 8.230 nan 0.000 0.419 658 W N 1.003 122.271 121.300 -0.054 0.000 5.153 658 W HA -0.429 4.232 4.660 0.003 0.000 0.318 658 W C 1.331 177.816 176.519 -0.056 0.000 1.092 658 W CA 2.164 59.484 57.345 -0.042 0.000 1.009 658 W CB -0.321 29.120 29.460 -0.030 0.000 1.960 658 W HN 0.627 nan 8.180 nan 0.000 1.590 659 A N -1.250 121.408 122.820 -0.271 0.000 2.044 659 A HA 0.154 4.476 4.320 0.003 0.000 0.213 659 A C 1.362 178.688 177.584 -0.431 0.000 1.169 659 A CA 1.185 52.920 52.037 -0.503 0.000 0.724 659 A CB -0.132 18.684 19.000 -0.308 0.000 0.840 659 A HN 0.507 nan 8.150 nan 0.000 0.463 660 Q N -3.441 116.183 119.800 -0.292 0.000 2.738 660 Q HA 0.622 4.964 4.340 0.003 0.000 0.197 660 Q C 0.961 176.927 176.000 -0.058 0.000 1.012 660 Q CA 0.112 55.816 55.803 -0.167 0.000 0.968 660 Q CB 0.708 29.390 28.738 -0.094 0.000 1.590 660 Q HN 0.800 nan 8.270 nan 0.000 0.490 661 A N -1.130 121.786 122.820 0.160 0.000 3.261 661 A HA -0.328 3.994 4.320 0.003 0.000 0.240 661 A C 1.683 179.324 177.584 0.096 0.000 0.644 661 A CA 1.797 53.963 52.037 0.214 0.000 1.228 661 A CB -2.895 16.167 19.000 0.102 0.000 1.281 661 A HN 0.698 nan 8.150 nan 0.000 0.685 662 S N 0.177 115.858 115.700 -0.032 0.000 2.426 662 S HA -0.465 4.007 4.470 0.003 0.000 0.253 662 S C 1.758 176.331 174.600 -0.045 0.000 1.104 662 S CA 2.078 60.230 58.200 -0.079 0.000 1.158 662 S CB -0.711 62.384 63.200 -0.175 0.000 1.043 662 S HN 0.816 nan 8.310 nan 0.000 0.443 663 Q N 0.154 119.929 119.800 -0.041 0.000 2.084 663 Q HA -0.193 4.149 4.340 0.003 0.000 0.215 663 Q C 2.432 178.426 176.000 -0.010 0.000 1.020 663 Q CA 2.076 57.857 55.803 -0.037 0.000 0.887 663 Q CB -1.229 27.481 28.738 -0.046 0.000 0.975 663 Q HN 0.598 nan 8.270 nan 0.000 0.413 664 V N -0.511 119.441 119.914 0.064 0.000 2.922 664 V HA -0.018 4.104 4.120 0.003 0.000 0.242 664 V C 2.128 178.209 176.094 -0.023 0.000 1.094 664 V CA 0.390 62.727 62.300 0.063 0.000 1.106 664 V CB -0.101 31.873 31.823 0.251 0.000 0.799 664 V HN 0.276 nan 8.190 nan 0.000 0.474 665 I N 0.841 121.444 120.570 0.055 0.000 2.091 665 I HA -0.360 3.812 4.170 0.003 0.000 0.240 665 I C 2.664 178.703 176.117 -0.130 0.000 1.046 665 I CA 2.532 63.837 61.300 0.007 0.000 1.306 665 I CB -0.482 37.549 38.000 0.051 0.000 1.018 665 I HN 0.445 nan 8.210 nan 0.000 0.404 666 Q N -0.012 119.725 119.800 -0.106 0.000 1.838 666 Q HA -0.138 4.204 4.340 0.003 0.000 0.242 666 Q C 1.785 177.669 176.000 -0.194 0.000 0.966 666 Q CA 1.293 57.025 55.803 -0.118 0.000 0.870 666 Q CB -0.604 28.103 28.738 -0.052 0.000 0.911 666 Q HN 0.454 nan 8.270 nan 0.000 0.434 667 S N -0.780 114.855 115.700 -0.109 0.000 3.061 667 S HA -0.211 4.261 4.470 0.003 0.000 0.343 667 S C 0.046 174.614 174.600 -0.053 0.000 1.230 667 S CA 0.628 58.773 58.200 -0.091 0.000 1.003 667 S CB -0.819 62.323 63.200 -0.096 0.000 1.005 667 S HN 0.358 nan 8.310 nan 0.000 0.652 668 Y N 0.340 120.630 120.300 -0.017 0.000 2.455 668 Y HA 0.485 5.036 4.550 0.003 0.000 0.398 668 Y C 1.851 177.733 175.900 -0.029 0.000 1.386 668 Y CA -0.584 57.499 58.100 -0.029 0.000 1.816 668 Y CB -0.840 37.605 38.460 -0.025 0.000 1.740 668 Y HN 0.357 nan 8.280 nan 0.000 0.612 669 G N 1.089 109.990 108.800 0.169 0.000 2.216 669 G HA2 0.038 3.999 3.960 0.003 0.000 0.263 669 G HA3 0.038 3.999 3.960 0.003 0.000 0.263 669 G C 0.068 174.992 174.900 0.039 0.000 0.837 669 G CA 1.098 46.233 45.100 0.057 0.000 1.227 669 G HN 1.071 nan 8.290 nan 0.000 0.407 670 S N -1.998 113.717 115.700 0.026 0.000 4.063 670 S HA 0.628 5.100 4.470 0.003 0.000 0.275 670 S C 0.713 175.310 174.600 -0.006 0.000 1.029 670 S CA 0.744 58.951 58.200 0.012 0.000 1.325 670 S CB 0.265 63.479 63.200 0.024 0.000 1.800 670 S HN 1.113 nan 8.310 nan 0.000 0.406 671 S N 0.247 115.945 115.700 -0.004 0.000 2.560 671 S HA 0.314 4.786 4.470 0.003 0.000 0.281 671 S C 1.045 175.658 174.600 0.021 0.000 1.075 671 S CA 0.074 58.262 58.200 -0.020 0.000 1.295 671 S CB -0.256 62.926 63.200 -0.030 0.000 1.156 671 S HN 0.499 nan 8.310 nan 0.000 0.627 672 L N 2.215 123.467 121.223 0.050 0.000 2.633 672 L HA 0.163 4.505 4.340 0.003 0.000 0.235 672 L C 1.610 178.527 176.870 0.079 0.000 1.163 672 L CA 0.603 55.517 54.840 0.124 0.000 0.859 672 L CB -0.432 41.653 42.059 0.045 0.000 0.973 672 L HN 0.248 nan 8.230 nan 0.000 0.451 673 S N -0.010 115.704 115.700 0.023 0.000 3.870 673 S HA 0.378 4.850 4.470 0.003 0.000 0.198 673 S C 0.878 175.389 174.600 -0.148 0.000 1.336 673 S CA 0.468 58.677 58.200 0.015 0.000 1.049 673 S CB -0.218 62.991 63.200 0.015 0.000 1.412 673 S HN 0.449 nan 8.310 nan 0.000 0.448 674 A N 1.648 124.283 122.820 -0.307 0.000 1.602 674 A HA 0.247 4.569 4.320 0.003 0.000 0.198 674 A C 0.876 178.114 177.584 -0.576 0.000 1.957 674 A CA -0.117 51.582 52.037 -0.564 0.000 1.550 674 A CB -0.475 17.947 19.000 -0.963 0.000 1.537 674 A HN 0.593 nan 8.150 nan 0.000 0.312 675 Y N 0.794 121.002 120.300 -0.153 0.000 2.516 675 Y HA 0.202 4.753 4.550 0.003 0.000 0.291 675 Y C 2.367 178.115 175.900 -0.252 0.000 1.131 675 Y CA 0.843 58.859 58.100 -0.139 0.000 1.281 675 Y CB -0.135 38.230 38.460 -0.159 0.000 1.013 675 Y HN 0.357 nan 8.280 nan 0.000 0.554 676 G N -0.509 108.226 108.800 -0.107 0.000 2.712 676 G HA2 0.008 3.970 3.960 0.003 0.000 0.212 676 G HA3 0.008 3.970 3.960 0.003 0.000 0.212 676 G C 1.280 176.193 174.900 0.023 0.000 1.142 676 G CA 0.272 45.243 45.100 -0.216 0.000 0.789 676 G HN 0.368 nan 8.290 nan 0.000 0.535 677 L N -1.313 119.926 121.223 0.026 0.000 2.609 677 L HA 0.389 4.731 4.340 0.003 0.000 0.230 677 L C 2.041 179.022 176.870 0.186 0.000 1.087 677 L CA -0.086 54.803 54.840 0.082 0.000 0.874 677 L CB 0.009 42.090 42.059 0.037 0.000 1.114 677 L HN 0.209 nan 8.230 nan 0.000 0.488 678 F N 0.674 120.572 119.950 -0.086 0.000 2.044 678 F HA -0.228 4.300 4.527 0.003 0.000 0.287 678 F C 2.412 178.299 175.800 0.146 0.000 1.155 678 F CA 0.901 58.930 58.000 0.049 0.000 1.152 678 F CB -0.245 38.872 39.000 0.195 0.000 1.013 678 F HN 0.082 nan 8.300 nan 0.000 0.478 679 F N 0.598 120.810 119.950 0.436 0.000 2.481 679 F HA -0.164 4.365 4.527 0.003 0.000 0.297 679 F C 1.266 177.316 175.800 0.417 0.000 1.095 679 F CA 0.218 58.456 58.000 0.398 0.000 1.465 679 F CB -1.716 37.568 39.000 0.474 0.000 1.098 679 F HN -0.080 nan 8.300 nan 0.000 0.585 680 L N 1.916 123.369 121.223 0.384 0.000 1.899 680 L HA 0.038 4.379 4.340 0.003 0.000 0.223 680 L C 2.725 179.761 176.870 0.277 0.000 1.088 680 L CA 2.136 57.164 54.840 0.313 0.000 0.788 680 L CB -1.682 40.452 42.059 0.123 0.000 0.889 680 L HN 0.277 nan 8.230 nan 0.000 0.431 681 G N -1.734 107.119 108.800 0.088 0.000 2.959 681 G HA2 0.097 4.058 3.960 0.003 0.000 0.203 681 G HA3 0.097 4.058 3.960 0.003 0.000 0.203 681 G C 1.108 176.022 174.900 0.024 0.000 1.176 681 G CA 0.766 45.838 45.100 -0.047 0.000 0.860 681 G HN 0.578 nan 8.290 nan 0.000 0.507 682 A N -0.645 122.285 122.820 0.183 0.000 2.085 682 A HA 0.306 4.627 4.320 0.003 0.000 0.208 682 A C 1.795 179.552 177.584 0.288 0.000 1.191 682 A CA 0.645 52.793 52.037 0.184 0.000 0.799 682 A CB -0.048 19.069 19.000 0.196 0.000 0.877 682 A HN 0.371 nan 8.150 nan 0.000 0.473 683 H N -0.929 118.329 119.070 0.314 0.000 2.284 683 H HA 0.132 4.689 4.556 0.003 0.000 0.304 683 H C 0.614 176.178 175.328 0.394 0.000 1.069 683 H CA 1.438 57.670 56.048 0.307 0.000 1.327 683 H CB -0.181 29.733 29.762 0.252 0.000 1.387 683 H HN 0.484 nan 8.280 nan 0.000 0.498 684 F N 1.177 121.312 119.950 0.309 0.000 2.543 684 F HA 0.189 4.718 4.527 0.002 0.000 0.375 684 F C 0.627 176.523 175.800 0.161 0.000 1.075 684 F CA -0.360 57.765 58.000 0.208 0.000 1.225 684 F CB 0.422 39.507 39.000 0.142 0.000 1.099 684 F HN -0.034 nan 8.300 nan 0.000 0.561 685 V N 5.872 126.094 119.914 0.514 0.000 4.257 685 V HA -0.299 3.822 4.120 0.003 0.000 0.245 685 V C 0.242 176.467 176.094 0.220 0.000 0.411 685 V CA 1.750 64.268 62.300 0.364 0.000 0.907 685 V CB -2.027 29.979 31.823 0.306 0.000 0.949 685 V HN 0.991 nan 8.190 nan 0.000 1.325 686 W N -0.377 120.932 121.300 0.015 0.000 2.842 686 W HA 0.552 5.214 4.660 0.003 0.000 0.267 686 W C 1.622 178.057 176.519 -0.139 0.000 1.219 686 W CA 1.434 58.675 57.345 -0.173 0.000 1.458 686 W CB 0.199 29.480 29.460 -0.299 0.000 1.006 686 W HN 0.279 nan 8.180 nan 0.000 0.603 687 A N 0.755 123.566 122.820 -0.015 0.000 1.838 687 A HA -0.086 4.236 4.320 0.003 0.000 0.215 687 A C 1.419 178.814 177.584 -0.315 0.000 1.273 687 A CA 1.009 52.935 52.037 -0.185 0.000 0.602 687 A CB -1.779 17.239 19.000 0.029 0.000 0.934 687 A HN 0.406 nan 8.150 nan 0.000 0.461 688 F N 1.695 121.374 119.950 -0.452 0.000 2.476 688 F HA -0.112 4.416 4.527 0.003 0.000 0.291 688 F C 1.751 177.470 175.800 -0.135 0.000 1.363 688 F CA 0.793 58.562 58.000 -0.386 0.000 1.499 688 F CB -0.191 38.465 39.000 -0.572 0.000 1.125 688 F HN 0.228 nan 8.300 nan 0.000 0.631 689 S N -0.037 115.423 115.700 -0.400 0.000 2.559 689 S HA -0.010 4.462 4.470 0.003 0.000 0.212 689 S C 1.758 176.069 174.600 -0.482 0.000 0.994 689 S CA 0.417 58.387 58.200 -0.384 0.000 0.903 689 S CB -0.360 62.648 63.200 -0.320 0.000 0.861 689 S HN 0.217 nan 8.310 nan 0.000 0.601 690 L N 2.476 123.279 121.223 -0.700 0.000 2.197 690 L HA -0.039 4.302 4.340 0.003 0.000 0.215 690 L C 2.514 179.018 176.870 -0.610 0.000 1.095 690 L CA 1.574 55.781 54.840 -1.055 0.000 0.764 690 L CB -1.423 39.611 42.059 -1.708 0.000 0.897 690 L HN 0.504 nan 8.230 nan 0.000 0.436 691 M N -1.992 117.333 119.600 -0.458 0.000 2.229 691 M HA -0.191 4.291 4.480 0.003 0.000 0.264 691 M C 2.113 178.271 176.300 -0.236 0.000 1.063 691 M CA 1.739 56.862 55.300 -0.295 0.000 1.114 691 M CB -0.230 32.156 32.600 -0.356 0.000 1.387 691 M HN 0.226 nan 8.290 nan 0.000 0.420 692 F N -1.124 118.602 119.950 -0.374 0.000 2.656 692 F HA -0.042 4.486 4.527 0.002 0.000 0.291 692 F C 1.855 177.523 175.800 -0.220 0.000 1.122 692 F CA -0.051 57.731 58.000 -0.363 0.000 1.427 692 F CB 0.434 39.114 39.000 -0.532 0.000 1.125 692 F HN 0.066 nan 8.300 nan 0.000 0.583 693 L N -1.461 119.753 121.223 -0.015 0.000 2.357 693 L HA 0.085 4.426 4.340 0.003 0.000 0.211 693 L C 1.498 178.519 176.870 0.252 0.000 1.075 693 L CA 0.954 55.831 54.840 0.063 0.000 0.830 693 L CB -0.351 41.717 42.059 0.015 0.000 0.996 693 L HN -0.070 nan 8.230 nan 0.000 0.467 694 F N -1.131 118.796 119.950 -0.038 0.000 2.512 694 F HA 0.191 4.720 4.527 0.003 0.000 0.296 694 F C 1.841 177.654 175.800 0.023 0.000 1.110 694 F CA -0.024 57.962 58.000 -0.024 0.000 1.446 694 F CB -1.256 37.719 39.000 -0.041 0.000 1.092 694 F HN -0.019 nan 8.300 nan 0.000 0.554 695 S N -0.232 115.617 115.700 0.249 0.000 2.606 695 S HA 0.492 4.964 4.470 0.003 0.000 0.257 695 S C 0.728 175.473 174.600 0.241 0.000 1.327 695 S CA -0.117 58.245 58.200 0.270 0.000 0.984 695 S CB 0.611 64.046 63.200 0.393 0.000 0.941 695 S HN 0.263 nan 8.310 nan 0.000 0.576 696 G N 0.076 109.057 108.800 0.301 0.000 2.557 696 G HA2 0.477 4.438 3.960 0.003 0.000 0.292 696 G HA3 0.477 4.438 3.960 0.003 0.000 0.292 696 G C 0.272 175.369 174.900 0.328 0.000 1.237 696 G CA -0.276 44.978 45.100 0.256 0.000 0.978 696 G HN 0.806 nan 8.290 nan 0.000 0.498 697 R N -1.990 118.640 120.500 0.217 0.000 2.302 697 R HA 0.236 4.577 4.340 0.003 0.000 0.187 697 R C 2.253 178.652 176.300 0.164 0.000 0.904 697 R CA 1.311 57.514 56.100 0.172 0.000 1.105 697 R CB -0.565 29.762 30.300 0.045 0.000 1.239 697 R HN 0.592 nan 8.270 nan 0.000 0.620 698 G N 0.410 109.286 108.800 0.125 0.000 2.446 698 G HA2 -0.292 3.670 3.960 0.003 0.000 0.217 698 G HA3 -0.292 3.670 3.960 0.003 0.000 0.217 698 G C 0.018 175.007 174.900 0.149 0.000 1.168 698 G CA 0.842 46.008 45.100 0.110 0.000 0.771 698 G HN 0.363 nan 8.290 nan 0.000 0.551 699 Y N -0.227 120.096 120.300 0.039 0.000 2.697 699 Y HA 0.296 4.848 4.550 0.003 0.000 0.349 699 Y C 0.521 176.420 175.900 -0.002 0.000 1.120 699 Y CA -0.422 57.650 58.100 -0.048 0.000 1.468 699 Y CB -0.323 38.062 38.460 -0.125 0.000 1.182 699 Y HN 0.393 nan 8.280 nan 0.000 0.525 700 W N 0.728 121.723 121.300 -0.507 0.000 1.497 700 W HA -0.334 4.327 4.660 0.002 0.000 0.142 700 W C 1.909 178.330 176.519 -0.163 0.000 1.104 700 W CA 0.639 57.771 57.345 -0.356 0.000 0.539 700 W CB -1.294 28.033 29.460 -0.223 0.000 0.782 700 W HN 0.396 nan 8.180 nan 0.000 0.427 701 Q N 1.526 121.417 119.800 0.152 0.000 1.948 701 Q HA -0.201 4.140 4.340 0.003 0.000 0.205 701 Q C 1.788 177.823 176.000 0.060 0.000 0.992 701 Q CA 2.638 58.500 55.803 0.099 0.000 0.849 701 Q CB -0.956 27.830 28.738 0.081 0.000 0.918 701 Q HN 0.284 nan 8.270 nan 0.000 0.421 702 E N -0.357 119.872 120.200 0.048 0.000 2.399 702 E HA -0.299 4.052 4.350 0.003 0.000 0.231 702 E C 1.906 178.510 176.600 0.007 0.000 1.124 702 E CA 1.801 58.223 56.400 0.036 0.000 0.941 702 E CB -0.454 29.290 29.700 0.073 0.000 0.790 702 E HN 0.438 nan 8.360 nan 0.000 0.461 703 L N 0.434 121.631 121.223 -0.043 0.000 2.034 703 L HA -0.107 4.234 4.340 0.003 0.000 0.203 703 L C 2.072 178.961 176.870 0.032 0.000 1.074 703 L CA 0.715 55.522 54.840 -0.056 0.000 0.748 703 L CB -0.131 41.806 42.059 -0.202 0.000 0.905 703 L HN 0.077 nan 8.230 nan 0.000 0.439 704 I N -0.203 120.413 120.570 0.076 0.000 3.294 704 I HA -0.118 4.054 4.170 0.003 0.000 0.287 704 I C 1.606 177.769 176.117 0.077 0.000 1.328 704 I CA 0.626 61.990 61.300 0.107 0.000 1.375 704 I CB -1.963 36.118 38.000 0.135 0.000 1.045 704 I HN 0.408 nan 8.210 nan 0.000 0.522 705 E N 1.319 121.550 120.200 0.053 0.000 3.994 705 E HA -0.055 4.297 4.350 0.003 0.000 0.569 705 E C 1.590 178.233 176.600 0.071 0.000 0.320 705 E CA 1.037 57.459 56.400 0.037 0.000 3.540 705 E CB -0.001 29.716 29.700 0.029 0.000 2.366 705 E HN 0.246 nan 8.360 nan 0.000 0.353 706 S N -0.121 115.633 115.700 0.091 0.000 4.157 706 S HA -0.373 4.098 4.470 0.003 0.000 0.538 706 S C 1.794 176.562 174.600 0.281 0.000 1.644 706 S CA 2.675 60.968 58.200 0.156 0.000 4.016 706 S CB -1.789 61.473 63.200 0.104 0.000 1.288 706 S HN 0.416 nan 8.310 nan 0.000 0.454 707 I N 1.908 122.603 120.570 0.209 0.000 2.091 707 I HA -0.193 3.979 4.170 0.003 0.000 0.239 707 I C 2.629 178.825 176.117 0.131 0.000 1.061 707 I CA 1.998 63.449 61.300 0.251 0.000 1.317 707 I CB -0.830 37.327 38.000 0.262 0.000 1.031 707 I HN 0.470 nan 8.210 nan 0.000 0.401 708 V N 0.618 120.446 119.914 -0.144 0.000 2.313 708 V HA -0.357 3.765 4.120 0.003 0.000 0.261 708 V C 2.203 178.009 176.094 -0.480 0.000 1.096 708 V CA 2.792 64.692 62.300 -0.667 0.000 1.090 708 V CB -0.697 30.985 31.823 -0.234 0.000 0.683 708 V HN 0.770 nan 8.190 nan 0.000 0.452 709 W N 0.758 121.923 121.300 -0.225 0.000 2.321 709 W HA -0.234 4.428 4.660 0.004 0.000 0.306 709 W C 2.284 178.786 176.519 -0.028 0.000 1.217 709 W CA 2.429 59.716 57.345 -0.098 0.000 1.257 709 W CB -0.844 28.591 29.460 -0.042 0.000 1.145 709 W HN 0.255 nan 8.180 nan 0.000 0.509 710 A N 1.124 123.737 122.820 -0.345 0.000 1.859 710 A HA -0.312 4.009 4.320 0.003 0.000 0.218 710 A C 1.891 179.467 177.584 -0.014 0.000 1.209 710 A CA 2.732 54.564 52.037 -0.342 0.000 0.639 710 A CB -1.652 17.278 19.000 -0.117 0.000 0.835 710 A HN 0.603 nan 8.150 nan 0.000 0.450 711 H N -0.061 118.930 119.070 -0.132 0.000 2.446 711 H HA -0.151 4.405 4.556 0.001 0.000 0.296 711 H C 1.985 177.278 175.328 -0.059 0.000 1.047 711 H CA 1.031 57.034 56.048 -0.076 0.000 1.156 711 H CB -1.469 28.275 29.762 -0.031 0.000 1.405 711 H HN 0.563 nan 8.280 nan 0.000 0.588 712 N N 1.287 120.020 118.700 0.054 0.000 2.098 712 N HA -0.234 4.508 4.740 0.003 0.000 0.185 712 N C 0.615 176.135 175.510 0.017 0.000 0.956 712 N CA 1.342 54.401 53.050 0.016 0.000 0.888 712 N CB -0.360 38.118 38.487 -0.014 0.000 1.053 712 N HN 0.283 nan 8.380 nan 0.000 0.751 713 K N 0.892 121.302 120.400 0.016 0.000 2.237 713 K HA 0.054 4.375 4.320 0.003 0.000 0.283 713 K C -0.058 176.508 176.600 -0.057 0.000 1.080 713 K CA 0.220 56.523 56.287 0.026 0.000 0.965 713 K CB -0.261 32.324 32.500 0.140 0.000 1.098 713 K HN 0.423 nan 8.250 nan 0.000 0.434 714 L N 2.633 123.841 121.223 -0.025 0.000 2.015 714 L HA -0.207 4.135 4.340 0.003 0.000 0.484 714 L C -0.649 176.217 176.870 -0.007 0.000 0.779 714 L CA -0.046 54.773 54.840 -0.034 0.000 2.176 714 L CB -0.755 41.258 42.059 -0.078 0.000 1.247 714 L HN 0.719 nan 8.230 nan 0.000 0.486 715 K N 0.027 120.433 120.400 0.011 0.000 4.771 715 K HA -0.158 4.164 4.320 0.003 0.000 0.393 715 K C 0.487 177.102 176.600 0.026 0.000 0.791 715 K CA 0.926 57.227 56.287 0.023 0.000 0.923 715 K CB -0.218 32.293 32.500 0.018 0.000 1.987 715 K HN 0.301 nan 8.250 nan 0.000 0.311 716 V N 0.544 120.488 119.914 0.050 0.000 5.048 716 V HA 0.235 4.357 4.120 0.003 0.000 0.133 716 V C 0.277 176.413 176.094 0.070 0.000 1.124 716 V CA 0.236 62.564 62.300 0.047 0.000 1.228 716 V CB -0.441 31.406 31.823 0.040 0.000 1.711 716 V HN 0.984 nan 8.190 nan 0.000 0.586 717 A N 2.249 125.155 122.820 0.143 0.000 2.807 717 A HA -0.107 4.215 4.320 0.003 0.000 0.410 717 A C -0.997 176.644 177.584 0.094 0.000 2.015 717 A CA 1.045 53.177 52.037 0.158 0.000 2.314 717 A CB -1.629 17.428 19.000 0.095 0.000 1.373 717 A HN 0.505 nan 8.150 nan 0.000 0.600 718 P HA 0.479 nan 4.420 nan 0.000 0.214 718 P C 0.869 178.204 177.300 0.059 0.000 1.110 718 P CA 2.284 65.423 63.100 0.065 0.000 0.659 718 P CB 0.237 31.976 31.700 0.066 0.000 0.803 719 A N -2.892 119.967 122.820 0.066 0.000 3.428 719 A HA -0.062 4.259 4.320 0.003 0.000 0.194 719 A C 0.731 178.376 177.584 0.101 0.000 1.346 719 A CA 0.507 52.587 52.037 0.071 0.000 2.169 719 A CB -2.602 16.435 19.000 0.062 0.000 0.386 719 A HN 0.465 nan 8.150 nan 0.000 0.567 720 T N 1.325 115.942 114.554 0.105 0.000 4.104 720 T HA 0.443 4.794 4.350 0.003 0.000 0.285 720 T C 0.133 174.892 174.700 0.098 0.000 1.346 720 T CA 0.243 62.423 62.100 0.133 0.000 1.158 720 T CB -0.380 68.518 68.868 0.050 0.000 1.290 720 T HN 0.498 nan 8.240 nan 0.000 0.975 721 Q N 3.721 123.584 119.800 0.105 0.000 2.520 721 Q HA 0.017 4.358 4.340 0.003 0.000 0.320 721 Q C -1.777 174.280 176.000 0.095 0.000 1.104 721 Q CA -0.805 55.051 55.803 0.089 0.000 1.062 721 Q CB 0.295 29.081 28.738 0.080 0.000 1.005 721 Q HN 0.465 nan 8.270 nan 0.000 0.390 722 P HA -0.023 nan 4.420 nan 0.000 0.235 722 P C -0.450 176.919 177.300 0.115 0.000 1.765 722 P CA 0.112 63.271 63.100 0.099 0.000 1.034 722 P CB -0.004 31.762 31.700 0.110 0.000 1.984 723 R N 2.283 122.857 120.500 0.123 0.000 2.707 723 R HA 0.436 4.778 4.340 0.003 0.000 0.270 723 R C -0.092 176.288 176.300 0.133 0.000 1.083 723 R CA -0.226 55.945 56.100 0.119 0.000 1.182 723 R CB 0.391 30.758 30.300 0.111 0.000 1.084 723 R HN 0.246 nan 8.270 nan 0.000 0.528 724 A N 4.578 127.460 122.820 0.104 0.000 2.412 724 A HA 0.293 4.615 4.320 0.003 0.000 0.334 724 A C -0.442 177.134 177.584 -0.015 0.000 1.419 724 A CA -0.675 51.410 52.037 0.080 0.000 0.930 724 A CB -0.086 18.994 19.000 0.133 0.000 1.149 724 A HN 0.971 nan 8.150 nan 0.000 0.515 725 L N 2.966 124.124 121.223 -0.107 0.000 4.551 725 L HA -0.195 4.146 4.340 0.003 0.000 0.576 725 L C 0.678 177.356 176.870 -0.320 0.000 0.999 725 L CA 0.621 55.225 54.840 -0.393 0.000 0.604 725 L CB -0.166 41.562 42.059 -0.551 0.000 0.424 725 L HN 0.986 nan 8.230 nan 0.000 1.115 726 S N 5.983 121.471 115.700 -0.353 0.000 2.671 726 S HA 0.149 4.621 4.470 0.003 0.000 0.331 726 S C 1.614 176.036 174.600 -0.298 0.000 1.182 726 S CA -0.061 57.981 58.200 -0.264 0.000 1.276 726 S CB 0.098 63.154 63.200 -0.240 0.000 1.360 726 S HN 0.674 nan 8.310 nan 0.000 0.563 727 I N 1.499 121.928 120.570 -0.235 0.000 4.767 727 I HA -0.488 3.684 4.170 0.003 0.000 0.055 727 I C 2.202 178.119 176.117 -0.334 0.000 0.634 727 I CA 2.422 63.577 61.300 -0.241 0.000 0.506 727 I CB -1.718 36.157 38.000 -0.208 0.000 0.498 727 I HN 0.511 nan 8.210 nan 0.000 0.163 728 V N 0.344 120.014 119.914 -0.407 0.000 2.277 728 V HA -0.384 3.738 4.120 0.003 0.000 0.253 728 V C 2.426 178.271 176.094 -0.414 0.000 1.067 728 V CA 2.671 64.637 62.300 -0.556 0.000 1.047 728 V CB -0.823 30.510 31.823 -0.816 0.000 0.649 728 V HN 0.612 nan 8.190 nan 0.000 0.447 729 Q N -0.072 119.483 119.800 -0.409 0.000 2.376 729 Q HA -0.163 4.179 4.340 0.003 0.000 0.211 729 Q C 1.717 177.438 176.000 -0.466 0.000 0.986 729 Q CA 1.609 57.160 55.803 -0.421 0.000 0.886 729 Q CB -0.159 28.228 28.738 -0.586 0.000 0.927 729 Q HN 0.703 nan 8.270 nan 0.000 0.457 730 G N -0.061 108.480 108.800 -0.432 0.000 3.441 730 G HA2 0.080 4.041 3.960 0.003 0.000 0.263 730 G HA3 0.080 4.041 3.960 0.003 0.000 0.263 730 G C 0.433 175.164 174.900 -0.281 0.000 1.014 730 G CA -0.491 44.333 45.100 -0.459 0.000 0.833 730 G HN 0.254 nan 8.290 nan 0.000 0.514 731 R N 0.126 120.436 120.500 -0.317 0.000 2.609 731 R HA 0.576 4.918 4.340 0.003 0.000 0.326 731 R C 0.572 176.913 176.300 0.069 0.000 1.090 731 R CA 0.158 55.944 56.100 -0.522 0.000 1.072 731 R CB 0.574 30.111 30.300 -1.273 0.000 1.330 731 R HN 0.105 nan 8.270 nan 0.000 0.572 732 A N 0.229 123.071 122.820 0.037 0.000 2.663 732 A HA 0.392 4.714 4.320 0.003 0.000 0.273 732 A C 0.236 177.758 177.584 -0.103 0.000 0.932 732 A CA -0.339 51.760 52.037 0.102 0.000 1.055 732 A CB 0.828 19.899 19.000 0.119 0.000 1.206 732 A HN 0.163 nan 8.150 nan 0.000 0.485 733 V N -1.848 117.976 119.914 -0.149 0.000 3.742 733 V HA 0.184 4.305 4.120 0.003 0.000 0.178 733 V C 1.820 177.784 176.094 -0.217 0.000 1.450 733 V CA 1.257 63.332 62.300 -0.375 0.000 1.165 733 V CB -0.117 31.163 31.823 -0.905 0.000 1.156 733 V HN 0.566 nan 8.190 nan 0.000 0.565 734 G N -0.095 108.634 108.800 -0.119 0.000 2.843 734 G HA2 -0.000 3.961 3.960 0.003 0.000 0.205 734 G HA3 -0.000 3.961 3.960 0.003 0.000 0.205 734 G C 1.034 176.082 174.900 0.247 0.000 1.160 734 G CA 1.374 46.478 45.100 0.006 0.000 0.819 734 G HN 0.482 nan 8.290 nan 0.000 0.516 735 V N -0.244 119.859 119.914 0.315 0.000 2.854 735 V HA -0.020 4.102 4.120 0.003 0.000 0.236 735 V C 2.902 179.080 176.094 0.140 0.000 1.157 735 V CA 2.208 64.666 62.300 0.264 0.000 1.187 735 V CB -0.153 31.659 31.823 -0.018 0.000 0.949 735 V HN 0.401 nan 8.190 nan 0.000 0.488 736 T N -0.747 113.880 114.554 0.121 0.000 2.622 736 T HA -0.243 4.109 4.350 0.003 0.000 0.266 736 T C 1.780 176.639 174.700 0.265 0.000 1.047 736 T CA 2.257 64.456 62.100 0.165 0.000 1.159 736 T CB -0.656 68.323 68.868 0.185 0.000 0.863 736 T HN 0.599 nan 8.240 nan 0.000 0.422 737 H N -0.100 119.008 119.070 0.063 0.000 2.299 737 H HA 0.074 4.631 4.556 0.003 0.000 0.302 737 H C 2.001 177.344 175.328 0.026 0.000 1.078 737 H CA 1.079 57.163 56.048 0.060 0.000 1.323 737 H CB -1.097 28.692 29.762 0.044 0.000 1.381 737 H HN 0.394 nan 8.280 nan 0.000 0.498 738 Y N 0.713 120.991 120.300 -0.038 0.000 1.997 738 Y HA -0.294 4.258 4.550 0.003 0.000 0.265 738 Y C 2.296 178.174 175.900 -0.036 0.000 1.193 738 Y CA 1.878 59.853 58.100 -0.208 0.000 1.106 738 Y CB -0.640 37.685 38.460 -0.225 0.000 0.940 738 Y HN 0.194 nan 8.280 nan 0.000 0.494 739 L N -0.321 121.044 121.223 0.238 0.000 2.610 739 L HA -0.011 4.331 4.340 0.003 0.000 0.232 739 L C 1.501 178.388 176.870 0.028 0.000 1.149 739 L CA 0.436 55.335 54.840 0.099 0.000 0.872 739 L CB -0.268 41.879 42.059 0.147 0.000 0.992 739 L HN 0.385 nan 8.230 nan 0.000 0.447 740 L N -1.392 119.835 121.223 0.006 0.000 2.189 740 L HA 0.331 4.673 4.340 0.003 0.000 0.199 740 L C 2.238 179.060 176.870 -0.080 0.000 1.074 740 L CA 1.781 56.576 54.840 -0.076 0.000 0.783 740 L CB -1.433 40.555 42.059 -0.118 0.000 0.955 740 L HN 0.167 nan 8.230 nan 0.000 0.460 741 G N 0.120 108.911 108.800 -0.015 0.000 2.719 741 G HA2 -0.350 3.612 3.960 0.003 0.000 0.219 741 G HA3 -0.350 3.612 3.960 0.003 0.000 0.219 741 G C 1.157 176.075 174.900 0.030 0.000 1.234 741 G CA 0.769 45.908 45.100 0.066 0.000 0.788 741 G HN 0.617 nan 8.290 nan 0.000 0.619 742 G N -0.662 108.126 108.800 -0.020 0.000 3.414 742 G HA2 0.390 4.352 3.960 0.003 0.000 0.258 742 G HA3 0.390 4.352 3.960 0.003 0.000 0.258 742 G C 0.514 175.580 174.900 0.275 0.000 1.348 742 G CA 0.019 45.096 45.100 -0.039 0.000 1.319 742 G HN 0.317 nan 8.290 nan 0.000 0.555 743 I N 0.281 120.931 120.570 0.134 0.000 4.021 743 I HA 0.319 4.490 4.170 0.003 0.000 0.245 743 I C 2.698 178.902 176.117 0.144 0.000 1.093 743 I CA 0.602 61.972 61.300 0.116 0.000 1.702 743 I CB -1.182 36.660 38.000 -0.263 0.000 1.597 743 I HN 0.065 nan 8.210 nan 0.000 0.443 744 A N 1.247 124.056 122.820 -0.019 0.000 1.906 744 A HA -0.370 3.951 4.320 0.003 0.000 0.222 744 A C 2.397 180.286 177.584 0.508 0.000 1.282 744 A CA 4.194 56.302 52.037 0.119 0.000 0.675 744 A CB -1.987 16.972 19.000 -0.068 0.000 0.838 744 A HN 0.640 nan 8.150 nan 0.000 0.469 745 T N -2.168 112.611 114.554 0.376 0.000 2.656 745 T HA -0.288 4.064 4.350 0.003 0.000 0.262 745 T C 1.447 176.493 174.700 0.577 0.000 1.070 745 T CA 2.424 64.806 62.100 0.469 0.000 1.160 745 T CB -1.475 67.459 68.868 0.110 0.000 0.855 745 T HN 0.524 nan 8.240 nan 0.000 0.456 746 T N -1.225 113.632 114.554 0.505 0.000 3.144 746 T HA 0.269 4.621 4.350 0.003 0.000 0.249 746 T C 0.738 175.693 174.700 0.425 0.000 1.089 746 T CA 0.163 62.648 62.100 0.641 0.000 0.989 746 T CB -0.256 69.027 68.868 0.692 0.000 0.992 746 T HN 0.802 nan 8.240 nan 0.000 0.540 747 W N 0.146 121.482 121.300 0.061 0.000 2.701 747 W HA 0.529 5.191 4.660 0.003 0.000 0.254 747 W C 1.760 178.305 176.519 0.043 0.000 1.017 747 W CA 0.249 57.424 57.345 -0.284 0.000 1.326 747 W CB 0.189 29.552 29.460 -0.163 0.000 0.881 747 W HN 0.075 nan 8.180 nan 0.000 0.647 748 A N 1.051 124.354 122.820 0.805 0.000 1.898 748 A HA -0.105 4.217 4.320 0.003 0.000 0.216 748 A C 1.699 179.564 177.584 0.468 0.000 1.181 748 A CA 1.689 54.165 52.037 0.732 0.000 0.620 748 A CB -1.155 18.331 19.000 0.810 0.000 0.819 748 A HN 0.533 nan 8.150 nan 0.000 0.442 749 F N 1.014 121.215 119.950 0.419 0.000 2.012 749 F HA 0.163 4.691 4.527 0.003 0.000 0.289 749 F C 0.679 176.543 175.800 0.108 0.000 1.185 749 F CA 0.343 58.536 58.000 0.322 0.000 1.149 749 F CB -1.062 38.154 39.000 0.361 0.000 0.994 749 F HN 0.224 nan 8.300 nan 0.000 0.481 750 F N 3.485 123.034 119.950 -0.669 0.000 2.519 750 F HA 0.454 4.983 4.527 0.003 0.000 0.375 750 F C -0.150 175.352 175.800 -0.497 0.000 1.084 750 F CA -0.933 56.533 58.000 -0.891 0.000 1.147 750 F CB 0.113 38.874 39.000 -0.399 0.000 1.088 750 F HN 0.395 nan 8.300 nan 0.000 0.555 751 L N 3.723 124.752 121.223 -0.324 0.000 2.041 751 L HA 0.062 4.404 4.340 0.003 0.000 0.318 751 L C 1.560 178.135 176.870 -0.491 0.000 0.540 751 L CA 0.517 55.033 54.840 -0.540 0.000 1.201 751 L CB -0.360 41.105 42.059 -0.991 0.000 1.691 751 L HN 0.542 nan 8.230 nan 0.000 0.332 752 A N 1.074 123.534 122.820 -0.600 0.000 2.164 752 A HA -0.341 3.981 4.320 0.003 0.000 0.226 752 A C 1.972 179.398 177.584 -0.263 0.000 1.232 752 A CA 2.729 54.546 52.037 -0.367 0.000 0.698 752 A CB -0.858 17.989 19.000 -0.255 0.000 0.828 752 A HN 0.587 nan 8.150 nan 0.000 0.508 753 R N -0.412 119.890 120.500 -0.330 0.000 2.075 753 R HA 0.003 4.345 4.340 0.003 0.000 0.230 753 R C 0.925 177.087 176.300 -0.230 0.000 1.140 753 R CA 1.252 57.179 56.100 -0.288 0.000 0.928 753 R CB -0.721 29.320 30.300 -0.431 0.000 0.834 753 R HN 0.558 nan 8.270 nan 0.000 0.429 754 I N 1.863 122.291 120.570 -0.235 0.000 2.598 754 I HA -0.022 4.150 4.170 0.003 0.000 0.284 754 I C -0.415 175.592 176.117 -0.183 0.000 1.140 754 I CA 0.628 61.821 61.300 -0.180 0.000 1.420 754 I CB 0.107 38.018 38.000 -0.148 0.000 1.387 754 I HN 0.297 nan 8.210 nan 0.000 0.553 755 I N 6.173 126.658 120.570 -0.142 0.000 7.490 755 I HA -0.112 4.060 4.170 0.003 0.000 0.137 755 I C 0.217 176.269 176.117 -0.108 0.000 1.841 755 I CA 0.275 61.499 61.300 -0.126 0.000 2.037 755 I CB -1.326 36.584 38.000 -0.151 0.000 3.661 755 I HN 0.996 nan 8.210 nan 0.000 0.169 756 A N 4.526 127.300 122.820 -0.078 0.000 1.495 756 A HA 0.170 4.491 4.320 0.003 0.000 0.189 756 A C 0.894 178.429 177.584 -0.081 0.000 1.244 756 A CA 0.750 52.747 52.037 -0.067 0.000 0.636 756 A CB -0.923 18.039 19.000 -0.063 0.000 1.124 756 A HN 2.354 nan 8.150 nan 0.000 0.176 757 V N -0.534 119.338 119.914 -0.070 0.000 5.175 757 V HA -0.138 3.983 4.120 0.003 0.000 0.279 757 V C 1.413 177.451 176.094 -0.094 0.000 0.571 757 V CA 2.022 64.274 62.300 -0.081 0.000 0.694 757 V CB -2.181 29.578 31.823 -0.107 0.000 0.525 757 V HN 2.452 nan 8.190 nan 0.000 1.093 758 G N 0.000 108.755 108.800 -0.076 0.000 5.446 758 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 758 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 758 G CA 0.000 45.050 45.100 -0.084 0.000 0.502 758 G HN 0.000 nan 8.290 nan 0.000 0.925