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 2jlg_1_C DATA FIRST_RESID 1 DATA SEQUENCE PRRAPAFPLS DIKAQMLFAN NIKAQQASKR SFKEGAIETY EGLLSVDPRF DATA SEQUENCE LSFKNELSRY LTDHFPANVD EYGRVYGNGV RTNFFGMRHM NGFPMIPATW DATA SEQUENCE PLASNLKKRA DADLADGPVS ERDNLLFRAA VRLMFSDLEP VPLKIRKGSS DATA SEQUENCE TCIPYFSNDM GTKIEIAERA LEKAEEAGNL MLQGKFDDAY QLHQMGGAYY DATA SEQUENCE VVYRAQSTDA ITLDPKTGKF VSKDRMVADF EYAVTGGEQG SLFAASKDAS DATA SEQUENCE RLKEQYGIDV PDGFFCERRR TAMGGPFALN APIMAVAQPV RNKIYSKYAY DATA SEQUENCE TFHHTTRLNK EEKVKEWSLC VATDVSDHDT FWPGWLRDLI CDELLNMGYA DATA SEQUENCE PWWVKLFETS LKLPVYVGAP APEQGHTLLG DPSNPDLEVG LSSGQGATDL DATA SEQUENCE MGTLLMSITY LVMQLDHTAP HLNSRIKDMP SACRFLDSYW QGHEEIRQIS DATA SEQUENCE KSDDAMLGWT KGRALVGGHR LFEMLKEGKV NPSPYMKISY QHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YXXXXXXXXX XXXXTPIDLE VLADPNKLQY KWTEADVSAN IHEVLMHGVS DATA SEQUENCE VEKTERFLRS VMPR 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.268 177.300 -0.054 0.000 1.155 1 P CA 0.000 63.066 63.100 -0.056 0.000 0.800 1 P CB 0.000 31.666 31.700 -0.057 0.000 0.726 2 R N 0.723 121.191 120.500 -0.054 0.000 2.093 2 R HA -0.044 4.296 4.340 -0.000 0.000 0.372 2 R C 0.090 176.353 176.300 -0.062 0.000 1.105 2 R CA 0.745 56.815 56.100 -0.050 0.000 0.794 2 R CB -1.983 28.295 30.300 -0.038 0.000 2.512 2 R HN 0.743 nan 8.270 nan 0.000 0.483 3 R N 0.987 121.444 120.500 -0.072 0.000 2.546 3 R HA 0.793 5.133 4.340 -0.000 0.000 0.266 3 R C 0.074 176.319 176.300 -0.091 0.000 1.086 3 R CA -0.177 55.866 56.100 -0.095 0.000 1.160 3 R CB 0.921 31.156 30.300 -0.108 0.000 1.138 3 R HN 0.463 nan 8.270 nan 0.000 0.567 4 A N 2.221 124.972 122.820 -0.114 0.000 2.401 4 A HA 0.343 4.663 4.320 -0.000 0.000 0.259 4 A C -2.028 175.494 177.584 -0.104 0.000 1.103 4 A CA -1.700 50.282 52.037 -0.092 0.000 0.789 4 A CB -0.277 18.665 19.000 -0.096 0.000 1.035 4 A HN 0.619 nan 8.150 nan 0.000 0.491 5 P HA 0.228 nan 4.420 nan 0.000 0.263 5 P C -0.289 176.883 177.300 -0.213 0.000 1.168 5 P CA 0.835 63.845 63.100 -0.150 0.000 0.759 5 P CB 0.548 32.295 31.700 0.079 0.000 0.782 6 A N 2.707 125.209 122.820 -0.530 0.000 2.515 6 A HA 0.858 5.178 4.320 -0.000 0.000 0.296 6 A C -1.507 175.610 177.584 -0.778 0.000 1.094 6 A CA -0.443 51.411 52.037 -0.304 0.000 0.718 6 A CB 1.176 20.234 19.000 0.096 0.000 1.307 6 A HN 0.331 nan 8.150 nan 0.000 0.408 7 F N 0.107 120.141 119.950 0.140 0.000 2.596 7 F HA 0.555 5.082 4.527 -0.000 0.000 0.311 7 F C -2.674 173.202 175.800 0.126 0.000 1.116 7 F CA -1.944 56.128 58.000 0.120 0.000 0.957 7 F CB 2.435 41.510 39.000 0.124 0.000 1.250 7 F HN 0.236 nan 8.300 nan 0.000 0.444 8 P HA 0.150 nan 4.420 nan 0.000 0.279 8 P C 0.750 178.209 177.300 0.264 0.000 1.239 8 P CA -0.411 62.807 63.100 0.196 0.000 0.789 8 P CB 1.083 32.858 31.700 0.125 0.000 0.933 9 L N 3.575 124.969 121.223 0.285 0.000 2.151 9 L HA -0.273 4.067 4.340 -0.000 0.000 0.215 9 L C 2.149 179.175 176.870 0.261 0.000 1.084 9 L CA 2.632 57.689 54.840 0.361 0.000 0.764 9 L CB -1.449 40.844 42.059 0.389 0.000 0.891 9 L HN 0.471 nan 8.230 nan 0.000 0.435 10 S N -1.387 114.426 115.700 0.187 0.000 2.370 10 S HA -0.191 4.279 4.470 -0.000 0.000 0.226 10 S C 1.181 175.870 174.600 0.149 0.000 1.033 10 S CA 0.669 58.953 58.200 0.140 0.000 1.011 10 S CB -0.822 62.439 63.200 0.102 0.000 0.852 10 S HN 0.645 nan 8.310 nan 0.000 0.457 11 D N 0.633 121.141 120.400 0.179 0.000 2.419 11 D HA -0.021 4.619 4.640 -0.000 0.000 0.236 11 D C 1.127 177.507 176.300 0.133 0.000 1.165 11 D CA 0.108 54.211 54.000 0.171 0.000 0.882 11 D CB 0.620 41.576 40.800 0.261 0.000 1.201 11 D HN 0.264 nan 8.370 nan 0.000 0.443 12 I N 3.302 123.927 120.570 0.091 0.000 2.454 12 I HA -0.212 3.958 4.170 -0.000 0.000 0.254 12 I C 2.092 178.216 176.117 0.012 0.000 1.156 12 I CA 1.262 62.599 61.300 0.061 0.000 1.433 12 I CB 0.045 38.074 38.000 0.048 0.000 1.082 12 I HN 0.351 nan 8.210 nan 0.000 0.432 13 K N 0.617 120.979 120.400 -0.064 0.000 2.026 13 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 13 K C 2.163 178.667 176.600 -0.161 0.000 1.048 13 K CA 1.553 57.698 56.287 -0.237 0.000 0.929 13 K CB -0.405 31.709 32.500 -0.644 0.000 0.713 13 K HN 0.477 nan 8.250 nan 0.000 0.439 14 A N 1.410 124.234 122.820 0.006 0.000 1.854 14 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 14 A C 2.147 179.899 177.584 0.280 0.000 1.192 14 A CA 1.046 53.218 52.037 0.225 0.000 0.611 14 A CB -0.435 18.826 19.000 0.435 0.000 0.832 14 A HN 0.174 nan 8.150 nan 0.000 0.442 15 Q N -0.721 119.234 119.800 0.259 0.000 2.103 15 Q HA -0.218 4.122 4.340 -0.000 0.000 0.213 15 Q C 1.904 178.024 176.000 0.200 0.000 1.008 15 Q CA 1.598 57.556 55.803 0.258 0.000 0.879 15 Q CB -0.489 28.344 28.738 0.158 0.000 0.946 15 Q HN 0.563 nan 8.270 nan 0.000 0.413 16 M N 0.089 119.740 119.600 0.086 0.000 2.700 16 M HA -0.058 4.422 4.480 -0.000 0.000 0.249 16 M C 1.613 177.929 176.300 0.026 0.000 1.082 16 M CA 0.703 56.043 55.300 0.066 0.000 1.077 16 M CB -0.489 32.143 32.600 0.052 0.000 1.477 16 M HN 0.161 nan 8.290 nan 0.000 0.529 17 L N -1.734 119.392 121.223 -0.162 0.000 2.513 17 L HA 0.095 4.435 4.340 -0.000 0.000 0.222 17 L C -0.234 176.271 176.870 -0.608 0.000 1.096 17 L CA 0.125 54.681 54.840 -0.474 0.000 0.857 17 L CB 0.045 41.607 42.059 -0.829 0.000 1.026 17 L HN 0.025 nan 8.230 nan 0.000 0.469 18 F N 0.424 120.388 119.950 0.023 0.000 2.460 18 F HA 0.597 5.124 4.527 -0.000 0.000 0.341 18 F C 0.706 176.502 175.800 -0.006 0.000 1.130 18 F CA -1.214 56.785 58.000 -0.001 0.000 0.962 18 F CB 0.596 39.540 39.000 -0.094 0.000 1.171 18 F HN -0.209 nan 8.300 nan 0.000 0.436 19 A N 1.885 124.781 122.820 0.126 0.000 2.536 19 A HA 0.000 4.320 4.320 -0.000 0.000 0.234 19 A C 0.746 178.407 177.584 0.128 0.000 1.076 19 A CA -0.277 51.818 52.037 0.096 0.000 0.769 19 A CB 0.072 19.164 19.000 0.154 0.000 1.020 19 A HN 0.764 nan 8.150 nan 0.000 0.508 20 N N 0.827 119.595 118.700 0.114 0.000 3.193 20 N HA 0.104 4.844 4.740 -0.000 0.000 0.312 20 N C -0.490 175.070 175.510 0.083 0.000 1.261 20 N CA 0.214 53.315 53.050 0.086 0.000 1.208 20 N CB -1.052 37.477 38.487 0.070 0.000 1.471 20 N HN 0.779 nan 8.380 nan 0.000 0.548 21 N N -1.340 117.410 118.700 0.083 0.000 2.774 21 N HA 0.336 5.076 4.740 -0.000 0.000 0.264 21 N C 0.344 175.871 175.510 0.028 0.000 1.415 21 N CA -0.757 52.331 53.050 0.063 0.000 0.815 21 N CB 0.538 39.079 38.487 0.091 0.000 1.514 21 N HN -0.179 nan 8.380 nan 0.000 0.523 22 I N 0.444 121.022 120.570 0.014 0.000 2.133 22 I HA -0.070 4.100 4.170 -0.000 0.000 0.238 22 I C 2.092 178.185 176.117 -0.040 0.000 1.074 22 I CA 1.221 62.514 61.300 -0.012 0.000 1.342 22 I CB -0.464 37.531 38.000 -0.008 0.000 1.053 22 I HN 0.582 nan 8.210 nan 0.000 0.404 23 K N 0.834 121.219 120.400 -0.025 0.000 2.059 23 K HA -0.231 4.089 4.320 -0.000 0.000 0.212 23 K C 2.250 178.735 176.600 -0.193 0.000 1.050 23 K CA 1.878 58.129 56.287 -0.059 0.000 0.927 23 K CB -0.571 31.939 32.500 0.018 0.000 0.714 23 K HN 0.387 nan 8.250 nan 0.000 0.447 24 A N 1.391 124.125 122.820 -0.144 0.000 1.902 24 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 24 A C 2.151 179.558 177.584 -0.296 0.000 1.181 24 A CA 1.296 53.163 52.037 -0.284 0.000 0.623 24 A CB -0.336 18.698 19.000 0.057 0.000 0.818 24 A HN 0.215 nan 8.150 nan 0.000 0.443 25 Q N -0.730 118.968 119.800 -0.170 0.000 2.124 25 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 25 Q C 2.093 177.947 176.000 -0.244 0.000 0.977 25 Q CA 1.915 57.603 55.803 -0.192 0.000 0.850 25 Q CB -0.364 28.322 28.738 -0.087 0.000 0.901 25 Q HN 0.789 nan 8.270 nan 0.000 0.429 26 Q N -0.269 119.413 119.800 -0.197 0.000 2.187 26 Q HA 0.056 4.396 4.340 -0.000 0.000 0.199 26 Q C 1.872 177.755 176.000 -0.195 0.000 0.957 26 Q CA 1.190 56.904 55.803 -0.147 0.000 0.857 26 Q CB -0.178 28.505 28.738 -0.092 0.000 0.929 26 Q HN 0.389 nan 8.270 nan 0.000 0.453 27 A N 0.101 122.710 122.820 -0.352 0.000 1.883 27 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 27 A C 2.180 179.607 177.584 -0.262 0.000 1.186 27 A CA 1.990 53.794 52.037 -0.388 0.000 0.624 27 A CB -1.015 17.309 19.000 -1.127 0.000 0.822 27 A HN 0.494 nan 8.150 nan 0.000 0.444 28 S N -0.440 114.840 115.700 -0.700 0.000 2.419 28 S HA -0.108 4.361 4.470 -0.000 0.000 0.233 28 S C 1.568 175.945 174.600 -0.373 0.000 1.016 28 S CA 1.551 59.108 58.200 -1.072 0.000 0.974 28 S CB -0.272 61.757 63.200 -1.952 0.000 0.786 28 S HN 0.593 nan 8.310 nan 0.000 0.492 29 K N 1.130 121.432 120.400 -0.164 0.000 2.374 29 K HA 0.154 4.474 4.320 -0.000 0.000 0.196 29 K C 0.243 176.992 176.600 0.248 0.000 1.023 29 K CA -0.308 56.084 56.287 0.174 0.000 1.103 29 K CB 0.187 32.729 32.500 0.070 0.000 0.848 29 K HN 0.582 nan 8.250 nan 0.000 0.528 30 R N 1.294 121.833 120.500 0.066 0.000 2.501 30 R HA 0.023 4.363 4.340 -0.000 0.000 0.319 30 R C -0.613 175.835 176.300 0.246 0.000 0.913 30 R CA 0.200 56.372 56.100 0.119 0.000 1.104 30 R CB 0.048 30.417 30.300 0.116 0.000 0.901 30 R HN -0.220 nan 8.270 nan 0.000 0.407 31 S N 3.265 119.100 115.700 0.225 0.000 2.632 31 S HA 0.177 4.647 4.470 -0.000 0.000 0.267 31 S C -0.199 174.533 174.600 0.220 0.000 1.276 31 S CA -0.831 57.521 58.200 0.253 0.000 0.998 31 S CB 0.425 63.725 63.200 0.168 0.000 0.953 31 S HN 0.516 nan 8.310 nan 0.000 0.547 32 F N 1.956 121.978 119.950 0.120 0.000 2.602 32 F HA 0.351 4.878 4.527 -0.000 0.000 0.367 32 F C 0.173 176.018 175.800 0.075 0.000 1.126 32 F CA 0.215 58.265 58.000 0.083 0.000 1.321 32 F CB 0.321 39.362 39.000 0.068 0.000 1.094 32 F HN 0.360 nan 8.300 nan 0.000 0.594 33 K N 5.002 124.746 120.400 -1.094 0.000 2.427 33 K HA 0.415 4.735 4.320 -0.000 0.000 0.252 33 K C -1.196 174.875 176.600 -0.882 0.000 0.931 33 K CA -0.459 55.413 56.287 -0.691 0.000 0.793 33 K CB 1.452 33.769 32.500 -0.305 0.000 1.211 33 K HN 0.813 nan 8.250 nan 0.000 0.426 34 E N 1.887 121.809 120.200 -0.463 0.000 2.296 34 E HA 0.761 5.111 4.350 -0.000 0.000 0.224 34 E C -0.672 175.720 176.600 -0.347 0.000 0.949 34 E CA -1.355 54.828 56.400 -0.362 0.000 0.879 34 E CB 0.785 30.400 29.700 -0.141 0.000 1.922 34 E HN 0.710 nan 8.360 nan 0.000 0.437 35 G N -0.499 107.870 108.800 -0.718 0.000 2.539 35 G HA2 0.365 4.325 3.960 -0.000 0.000 0.686 35 G HA3 0.365 4.325 3.960 -0.000 0.000 0.686 35 G C -0.454 173.936 174.900 -0.849 0.000 1.258 35 G CA -0.455 44.199 45.100 -0.744 0.000 0.846 35 G HN 0.902 nan 8.290 nan 0.000 0.647 36 A N -0.004 122.514 122.820 -0.504 0.000 2.425 36 A HA 0.656 4.976 4.320 -0.000 0.000 0.242 36 A C 0.921 178.422 177.584 -0.139 0.000 1.077 36 A CA 0.638 52.544 52.037 -0.219 0.000 0.781 36 A CB -0.015 19.005 19.000 0.035 0.000 1.020 36 A HN 2.116 nan 8.150 nan 0.000 0.494 37 I N -1.267 119.271 120.570 -0.054 0.000 2.377 37 I HA 0.442 4.612 4.170 -0.000 0.000 0.293 37 I C 0.214 176.344 176.117 0.022 0.000 0.987 37 I CA -0.556 60.731 61.300 -0.022 0.000 1.185 37 I CB 1.623 39.619 38.000 -0.007 0.000 1.341 37 I HN 0.735 nan 8.210 nan 0.000 0.455 38 E N 4.702 124.907 120.200 0.008 0.000 2.168 38 E HA -0.002 4.348 4.350 -0.000 0.000 0.254 38 E C 0.340 176.940 176.600 -0.000 0.000 1.228 38 E CA 0.039 56.448 56.400 0.014 0.000 0.956 38 E CB 0.530 30.235 29.700 0.007 0.000 1.031 38 E HN 0.866 nan 8.360 nan 0.000 0.441 39 T N 4.107 118.671 114.554 0.016 0.000 2.569 39 T HA -0.177 4.173 4.350 -0.000 0.000 0.263 39 T C 0.225 174.809 174.700 -0.192 0.000 1.074 39 T CA 1.465 63.545 62.100 -0.034 0.000 1.176 39 T CB -0.164 68.750 68.868 0.077 0.000 0.863 39 T HN 0.393 nan 8.240 nan 0.000 0.410 40 Y N 0.496 120.781 120.300 -0.024 0.000 2.631 40 Y HA 0.407 4.957 4.550 -0.000 0.000 0.328 40 Y C 0.366 176.260 175.900 -0.010 0.000 1.118 40 Y CA -1.356 56.738 58.100 -0.010 0.000 1.206 40 Y CB 0.807 39.276 38.460 0.015 0.000 1.337 40 Y HN 0.022 nan 8.280 nan 0.000 0.515 41 E N 0.690 120.987 120.200 0.162 0.000 2.498 41 E HA 0.219 4.569 4.350 -0.000 0.000 0.252 41 E C 0.670 177.303 176.600 0.055 0.000 1.025 41 E CA 1.234 57.671 56.400 0.062 0.000 0.938 41 E CB -0.096 29.614 29.700 0.017 0.000 0.947 41 E HN 0.875 nan 8.360 nan 0.000 0.478 42 G N 3.223 112.046 108.800 0.038 0.000 2.241 42 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 42 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 42 G C 0.044 174.967 174.900 0.039 0.000 0.998 42 G CA -0.520 44.600 45.100 0.033 0.000 0.621 42 G HN 0.458 nan 8.290 nan 0.000 0.519 43 L N 1.595 122.846 121.223 0.046 0.000 2.264 43 L HA 0.554 4.894 4.340 -0.000 0.000 0.287 43 L C 0.430 177.300 176.870 0.000 0.000 1.039 43 L CA -0.568 54.270 54.840 -0.003 0.000 0.829 43 L CB 0.828 42.857 42.059 -0.049 0.000 1.211 43 L HN 0.094 nan 8.230 nan 0.000 0.427 44 L N 2.262 123.502 121.223 0.029 0.000 2.475 44 L HA 0.213 4.553 4.340 -0.000 0.000 0.253 44 L C 1.672 178.626 176.870 0.139 0.000 1.198 44 L CA 0.605 55.489 54.840 0.072 0.000 0.814 44 L CB 1.188 43.297 42.059 0.084 0.000 1.134 44 L HN 0.690 nan 8.230 nan 0.000 0.478 45 S N -0.572 115.257 115.700 0.215 0.000 2.404 45 S HA -0.051 4.419 4.470 -0.000 0.000 0.223 45 S C 1.244 176.095 174.600 0.418 0.000 1.040 45 S CA 0.632 59.069 58.200 0.395 0.000 0.957 45 S CB -0.607 62.791 63.200 0.330 0.000 0.826 45 S HN 0.467 nan 8.310 nan 0.000 0.491 46 V N 0.988 121.076 119.914 0.290 0.000 3.570 46 V HA 0.212 4.332 4.120 -0.000 0.000 0.293 46 V C 0.158 176.359 176.094 0.178 0.000 1.237 46 V CA -0.099 62.333 62.300 0.220 0.000 1.226 46 V CB -1.630 30.296 31.823 0.173 0.000 1.028 46 V HN 0.262 nan 8.190 nan 0.000 0.430 47 D N 1.806 122.349 120.400 0.237 0.000 2.382 47 D HA 0.171 4.811 4.640 -0.000 0.000 0.259 47 D C -1.257 175.157 176.300 0.190 0.000 1.224 47 D CA -2.079 52.044 54.000 0.205 0.000 0.894 47 D CB 1.773 42.713 40.800 0.233 0.000 1.127 47 D HN 0.145 nan 8.370 nan 0.000 0.487 48 P HA -0.166 nan 4.420 nan 0.000 0.217 48 P C 1.282 178.585 177.300 0.005 0.000 1.151 48 P CA 1.312 64.421 63.100 0.016 0.000 0.849 48 P CB 0.192 31.886 31.700 -0.009 0.000 0.787 49 R N -2.142 118.383 120.500 0.041 0.000 2.083 49 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 49 R C 2.230 178.517 176.300 -0.021 0.000 1.137 49 R CA 1.391 57.442 56.100 -0.081 0.000 0.951 49 R CB -0.954 29.384 30.300 0.064 0.000 0.851 49 R HN 0.169 nan 8.270 nan 0.000 0.434 50 F N 1.354 121.369 119.950 0.108 0.000 2.084 50 F HA -0.079 4.448 4.527 -0.000 0.000 0.296 50 F C 1.945 177.885 175.800 0.234 0.000 1.111 50 F CA 1.224 59.391 58.000 0.278 0.000 1.224 50 F CB -0.628 38.577 39.000 0.342 0.000 0.991 50 F HN -0.100 nan 8.300 nan 0.000 0.471 51 L N -0.790 120.522 121.223 0.148 0.000 2.129 51 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 51 L C 2.637 179.411 176.870 -0.161 0.000 1.087 51 L CA 1.715 56.513 54.840 -0.071 0.000 0.757 51 L CB -1.133 40.803 42.059 -0.205 0.000 0.896 51 L HN 0.206 nan 8.230 nan 0.000 0.434 52 S N -0.466 115.159 115.700 -0.126 0.000 2.436 52 S HA -0.134 4.336 4.470 -0.000 0.000 0.228 52 S C 1.851 176.371 174.600 -0.133 0.000 1.014 52 S CA 0.485 58.588 58.200 -0.162 0.000 0.950 52 S CB -0.236 62.856 63.200 -0.179 0.000 0.784 52 S HN 0.464 nan 8.310 nan 0.000 0.504 53 F N 1.841 121.654 119.950 -0.229 0.000 2.234 53 F HA 0.232 4.759 4.527 -0.000 0.000 0.296 53 F C 1.886 177.579 175.800 -0.178 0.000 1.089 53 F CA 1.231 59.100 58.000 -0.217 0.000 1.343 53 F CB -0.275 38.639 39.000 -0.143 0.000 1.040 53 F HN 0.079 nan 8.300 nan 0.000 0.498 54 K N 0.425 120.570 120.400 -0.426 0.000 2.031 54 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 54 K C 1.961 178.365 176.600 -0.327 0.000 1.049 54 K CA 1.562 57.543 56.287 -0.510 0.000 0.939 54 K CB -0.535 31.829 32.500 -0.226 0.000 0.717 54 K HN 0.326 nan 8.250 nan 0.000 0.438 55 N N 0.722 119.398 118.700 -0.040 0.000 2.069 55 N HA -0.268 4.472 4.740 -0.000 0.000 0.196 55 N C 1.794 177.200 175.510 -0.172 0.000 1.024 55 N CA 1.786 54.829 53.050 -0.012 0.000 0.869 55 N CB 0.119 38.567 38.487 -0.066 0.000 1.035 55 N HN 0.207 nan 8.380 nan 0.000 0.434 56 E N -0.138 119.916 120.200 -0.244 0.000 2.004 56 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 56 E C 1.903 178.336 176.600 -0.277 0.000 0.987 56 E CA 0.614 56.880 56.400 -0.223 0.000 0.822 56 E CB -0.304 29.264 29.700 -0.221 0.000 0.779 56 E HN 0.208 nan 8.360 nan 0.000 0.458 57 L N 1.089 122.007 121.223 -0.509 0.000 2.123 57 L HA -0.315 4.025 4.340 -0.000 0.000 0.217 57 L C 2.298 178.982 176.870 -0.309 0.000 1.081 57 L CA 2.460 56.995 54.840 -0.508 0.000 0.772 57 L CB -0.832 40.685 42.059 -0.903 0.000 0.890 57 L HN 0.353 nan 8.230 nan 0.000 0.437 58 S N -0.625 114.882 115.700 -0.322 0.000 2.406 58 S HA -0.223 4.247 4.470 -0.000 0.000 0.211 58 S C 1.975 176.499 174.600 -0.127 0.000 1.045 58 S CA 1.035 59.109 58.200 -0.209 0.000 1.058 58 S CB -0.829 62.157 63.200 -0.357 0.000 1.044 58 S HN 0.468 nan 8.310 nan 0.000 0.413 59 R N 0.358 120.737 120.500 -0.202 0.000 2.134 59 R HA -0.216 4.124 4.340 -0.000 0.000 0.248 59 R C 2.290 178.620 176.300 0.049 0.000 1.143 59 R CA 2.006 58.058 56.100 -0.080 0.000 0.957 59 R CB -1.132 29.132 30.300 -0.061 0.000 0.867 59 R HN 0.667 nan 8.270 nan 0.000 0.441 60 Y N 1.486 121.733 120.300 -0.088 0.000 2.049 60 Y HA -0.261 4.289 4.550 -0.000 0.000 0.277 60 Y C 2.389 178.252 175.900 -0.061 0.000 1.143 60 Y CA 1.799 59.869 58.100 -0.051 0.000 1.115 60 Y CB -0.486 37.892 38.460 -0.137 0.000 0.975 60 Y HN -0.051 nan 8.280 nan 0.000 0.487 61 L N -0.429 120.902 121.223 0.179 0.000 2.127 61 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 61 L C 2.326 179.118 176.870 -0.130 0.000 1.089 61 L CA 1.936 56.702 54.840 -0.122 0.000 0.757 61 L CB -0.624 41.095 42.059 -0.567 0.000 0.899 61 L HN 0.371 nan 8.230 nan 0.000 0.434 62 T N -1.376 113.285 114.554 0.179 0.000 2.668 62 T HA -0.167 4.182 4.350 -0.000 0.000 0.262 62 T C 1.405 176.241 174.700 0.227 0.000 1.045 62 T CA 1.391 63.765 62.100 0.456 0.000 1.152 62 T CB -0.244 69.022 68.868 0.662 0.000 0.864 62 T HN 0.270 nan 8.240 nan 0.000 0.419 63 D N 0.131 120.591 120.400 0.099 0.000 2.309 63 D HA -0.048 4.592 4.640 -0.000 0.000 0.212 63 D C 1.414 177.550 176.300 -0.273 0.000 0.968 63 D CA 1.053 55.018 54.000 -0.058 0.000 0.882 63 D CB -0.146 40.607 40.800 -0.077 0.000 0.918 63 D HN 0.494 nan 8.370 nan 0.000 0.503 64 H N -2.355 116.501 119.070 -0.357 0.000 2.755 64 H HA 0.232 4.788 4.556 -0.000 0.000 0.273 64 H C -0.513 174.437 175.328 -0.631 0.000 1.055 64 H CA 0.044 55.730 56.048 -0.603 0.000 1.191 64 H CB 0.490 29.620 29.762 -1.053 0.000 1.536 64 H HN -0.120 nan 8.280 nan 0.000 0.529 65 F N 1.024 121.012 119.950 0.064 0.000 3.050 65 F HA 0.329 4.856 4.527 -0.000 0.000 0.382 65 F C -2.730 173.221 175.800 0.251 0.000 1.246 65 F CA -3.181 54.910 58.000 0.153 0.000 1.217 65 F CB 1.131 40.225 39.000 0.156 0.000 1.795 65 F HN -0.111 nan 8.300 nan 0.000 0.622 66 P HA 0.377 nan 4.420 nan 0.000 0.279 66 P C -0.269 177.140 177.300 0.183 0.000 1.252 66 P CA -0.394 62.839 63.100 0.222 0.000 0.811 66 P CB 0.899 32.667 31.700 0.115 0.000 1.035 67 A N 2.070 124.955 122.820 0.109 0.000 2.492 67 A HA 0.063 4.383 4.320 -0.000 0.000 0.236 67 A C 0.021 177.591 177.584 -0.023 0.000 1.078 67 A CA 0.332 52.392 52.037 0.038 0.000 0.773 67 A CB -0.785 18.223 19.000 0.014 0.000 1.023 67 A HN 0.648 nan 8.150 nan 0.000 0.504 68 N N -0.097 118.529 118.700 -0.124 0.000 2.804 68 N HA 0.438 5.178 4.740 -0.000 0.000 0.251 68 N C -1.363 173.911 175.510 -0.394 0.000 1.250 68 N CA -0.343 52.448 53.050 -0.432 0.000 0.820 68 N CB 1.564 39.646 38.487 -0.675 0.000 1.156 68 N HN 0.537 nan 8.380 nan 0.000 0.512 69 V N -0.685 119.230 119.914 0.002 0.000 2.419 69 V HA 0.376 4.496 4.120 -0.000 0.000 0.287 69 V C -0.123 176.269 176.094 0.496 0.000 1.017 69 V CA -1.219 61.252 62.300 0.284 0.000 0.844 69 V CB 0.863 32.915 31.823 0.381 0.000 1.011 69 V HN 0.399 nan 8.190 nan 0.000 0.429 70 D N 2.141 122.885 120.400 0.574 0.000 2.370 70 D HA -0.077 4.563 4.640 -0.000 0.000 0.235 70 D C 0.998 177.487 176.300 0.316 0.000 1.228 70 D CA 0.293 54.516 54.000 0.371 0.000 0.884 70 D CB 0.952 41.834 40.800 0.137 0.000 1.201 70 D HN 0.690 nan 8.370 nan 0.000 0.456 71 E N -0.051 120.275 120.200 0.210 0.000 2.147 71 E HA -0.262 4.088 4.350 -0.000 0.000 0.199 71 E C 0.664 177.317 176.600 0.087 0.000 1.005 71 E CA 1.092 57.555 56.400 0.105 0.000 0.810 71 E CB -0.197 29.441 29.700 -0.104 0.000 0.736 71 E HN 0.611 nan 8.360 nan 0.000 0.460 72 Y N -0.573 119.787 120.300 0.100 0.000 2.547 72 Y HA 0.172 4.722 4.550 -0.000 0.000 0.325 72 Y C 1.540 177.505 175.900 0.108 0.000 1.165 72 Y CA 0.205 58.325 58.100 0.032 0.000 1.300 72 Y CB 0.281 38.593 38.460 -0.246 0.000 1.126 72 Y HN 0.186 nan 8.280 nan 0.000 0.513 73 G N 0.365 109.262 108.800 0.160 0.000 2.377 73 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.250 73 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.250 73 G C 0.623 175.509 174.900 -0.024 0.000 1.039 73 G CA -0.159 44.850 45.100 -0.150 0.000 0.625 73 G HN 0.407 nan 8.290 nan 0.000 0.526 74 R N 0.721 121.218 120.500 -0.004 0.000 2.473 74 R HA 0.326 4.666 4.340 -0.000 0.000 0.315 74 R C 0.564 176.951 176.300 0.145 0.000 0.972 74 R CA 0.472 56.465 56.100 -0.180 0.000 1.047 74 R CB 1.058 30.823 30.300 -0.892 0.000 0.932 74 R HN 0.518 nan 8.270 nan 0.000 0.411 75 V N 6.212 126.335 119.914 0.348 0.000 2.488 75 V HA 0.315 4.435 4.120 -0.000 0.000 0.277 75 V C -0.692 175.596 176.094 0.323 0.000 1.046 75 V CA -0.158 62.298 62.300 0.260 0.000 0.986 75 V CB 0.086 32.017 31.823 0.178 0.000 0.989 75 V HN 0.690 nan 8.190 nan 0.000 0.475 76 Y N 4.738 125.129 120.300 0.152 0.000 2.790 76 Y HA 0.944 5.494 4.550 -0.000 0.000 0.323 76 Y C 0.953 176.919 175.900 0.111 0.000 1.230 76 Y CA -0.380 57.800 58.100 0.134 0.000 1.121 76 Y CB 0.908 39.421 38.460 0.090 0.000 1.328 76 Y HN 1.237 nan 8.280 nan 0.000 0.514 77 G N 1.885 110.848 108.800 0.271 0.000 2.677 77 G HA2 -0.481 3.479 3.960 -0.000 0.000 0.321 77 G HA3 -0.481 3.479 3.960 -0.000 0.000 0.321 77 G C 0.733 175.667 174.900 0.056 0.000 1.181 77 G CA 1.200 46.401 45.100 0.167 0.000 0.965 77 G HN 1.465 nan 8.290 nan 0.000 0.548 78 N N 2.580 121.273 118.700 -0.013 0.000 2.463 78 N HA 0.359 5.099 4.740 -0.000 0.000 0.181 78 N C 1.897 177.396 175.510 -0.019 0.000 1.078 78 N CA 1.884 54.932 53.050 -0.003 0.000 0.902 78 N CB -0.143 38.353 38.487 0.015 0.000 0.970 78 N HN 2.366 nan 8.380 nan 0.000 0.451 79 G N -0.879 107.909 108.800 -0.021 0.000 2.176 79 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.253 79 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.253 79 G C -0.237 174.667 174.900 0.007 0.000 0.979 79 G CA 0.313 45.418 45.100 0.009 0.000 0.641 79 G HN 0.342 nan 8.290 nan 0.000 0.530 80 V N 1.208 121.119 119.914 -0.006 0.000 2.614 80 V HA 0.472 4.592 4.120 -0.000 0.000 0.291 80 V C 1.413 177.486 176.094 -0.035 0.000 1.049 80 V CA 0.948 63.236 62.300 -0.021 0.000 1.038 80 V CB 1.306 33.170 31.823 0.068 0.000 0.980 80 V HN 0.649 nan 8.190 nan 0.000 0.481 81 R N 1.653 122.123 120.500 -0.049 0.000 2.549 81 R HA 0.426 4.766 4.340 -0.000 0.000 0.344 81 R C 0.192 176.481 176.300 -0.019 0.000 0.979 81 R CA -0.067 56.033 56.100 -0.001 0.000 1.140 81 R CB 0.970 31.296 30.300 0.043 0.000 1.377 81 R HN 0.640 nan 8.270 nan 0.000 0.541 82 T N 0.291 114.789 114.554 -0.094 0.000 2.775 82 T HA 0.157 4.507 4.350 -0.000 0.000 0.320 82 T C -1.507 173.091 174.700 -0.170 0.000 1.597 82 T CA -0.729 61.312 62.100 -0.099 0.000 1.022 82 T CB 0.970 69.790 68.868 -0.080 0.000 1.485 82 T HN 0.441 nan 8.240 nan 0.000 0.494 83 N N 0.661 119.314 118.700 -0.079 0.000 2.202 83 N HA 0.116 4.856 4.740 -0.000 0.000 0.218 83 N C 0.096 175.615 175.510 0.016 0.000 1.328 83 N CA 0.362 53.447 53.050 0.058 0.000 0.884 83 N CB -0.066 38.386 38.487 -0.059 0.000 1.106 83 N HN 0.495 nan 8.380 nan 0.000 0.439 84 F N -2.150 118.013 119.950 0.356 0.000 2.639 84 F HA 0.365 4.892 4.527 -0.000 0.000 0.302 84 F C 0.660 176.632 175.800 0.287 0.000 1.097 84 F CA -0.501 57.660 58.000 0.268 0.000 1.294 84 F CB -0.164 38.954 39.000 0.196 0.000 1.027 84 F HN 0.281 nan 8.300 nan 0.000 0.550 85 F N 0.641 120.696 119.950 0.174 0.000 2.529 85 F HA -0.036 4.491 4.527 -0.000 0.000 0.297 85 F C 2.344 178.190 175.800 0.076 0.000 1.114 85 F CA 0.451 58.514 58.000 0.106 0.000 1.467 85 F CB -1.463 37.620 39.000 0.139 0.000 1.096 85 F HN 0.096 nan 8.300 nan 0.000 0.586 86 G N 1.727 110.695 108.800 0.280 0.000 2.802 86 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.222 86 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.222 86 G C 1.706 176.752 174.900 0.244 0.000 1.248 86 G CA 1.781 47.025 45.100 0.240 0.000 0.787 86 G HN 0.444 nan 8.290 nan 0.000 0.643 87 M N -0.329 119.348 119.600 0.129 0.000 2.252 87 M HA -0.105 4.375 4.480 -0.000 0.000 0.257 87 M C 2.154 178.373 176.300 -0.135 0.000 1.077 87 M CA 2.051 57.380 55.300 0.048 0.000 1.066 87 M CB -0.717 31.866 32.600 -0.029 0.000 1.380 87 M HN 0.105 nan 8.290 nan 0.000 0.412 88 R N 0.718 121.024 120.500 -0.323 0.000 2.395 88 R HA 0.051 4.391 4.340 -0.000 0.000 0.202 88 R C -0.020 175.901 176.300 -0.631 0.000 1.088 88 R CA 0.208 55.745 56.100 -0.938 0.000 1.090 88 R CB -0.843 28.952 30.300 -0.841 0.000 0.876 88 R HN 0.613 nan 8.270 nan 0.000 0.477 89 H N 0.476 119.436 119.070 -0.184 0.000 2.582 89 H HA 0.145 4.701 4.556 -0.000 0.000 0.345 89 H C 0.174 175.553 175.328 0.086 0.000 1.104 89 H CA -0.061 56.002 56.048 0.027 0.000 1.390 89 H CB 1.142 30.953 29.762 0.083 0.000 1.461 89 H HN -0.108 nan 8.280 nan 0.000 0.551 90 M N 3.927 123.709 119.600 0.303 0.000 2.289 90 M HA 0.082 4.562 4.480 -0.000 0.000 0.354 90 M C -0.203 176.332 176.300 0.392 0.000 1.210 90 M CA -0.765 54.748 55.300 0.354 0.000 1.174 90 M CB 0.082 32.877 32.600 0.324 0.000 1.297 90 M HN 0.471 nan 8.290 nan 0.000 0.423 91 N N 1.661 120.544 118.700 0.306 0.000 2.292 91 N HA -0.010 4.730 4.740 -0.000 0.000 0.242 91 N C 1.192 176.768 175.510 0.110 0.000 1.243 91 N CA 1.315 54.483 53.050 0.198 0.000 0.851 91 N CB 0.296 38.885 38.487 0.170 0.000 1.093 91 N HN 0.946 nan 8.380 nan 0.000 0.450 92 G N -0.367 108.421 108.800 -0.021 0.000 2.179 92 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 92 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 92 G C -0.332 174.300 174.900 -0.446 0.000 0.977 92 G CA -0.124 44.832 45.100 -0.239 0.000 0.641 92 G HN 0.501 nan 8.290 nan 0.000 0.533 93 F N 1.991 121.968 119.950 0.046 0.000 2.403 93 F HA 0.514 5.041 4.527 -0.000 0.000 0.355 93 F C -2.009 173.851 175.800 0.100 0.000 1.119 93 F CA -2.262 55.779 58.000 0.069 0.000 1.007 93 F CB 2.437 41.481 39.000 0.074 0.000 1.194 93 F HN -0.128 nan 8.300 nan 0.000 0.443 94 P HA 0.292 nan 4.420 nan 0.000 0.279 94 P C -0.475 176.943 177.300 0.197 0.000 1.252 94 P CA -0.808 62.407 63.100 0.191 0.000 0.811 94 P CB 0.768 32.582 31.700 0.191 0.000 1.035 95 M N 0.576 120.249 119.600 0.123 0.000 2.219 95 M HA 0.383 4.863 4.480 -0.000 0.000 0.307 95 M C -0.316 176.008 176.300 0.038 0.000 1.116 95 M CA 0.860 56.206 55.300 0.077 0.000 1.181 95 M CB -0.320 32.299 32.600 0.033 0.000 1.410 95 M HN 0.085 nan 8.290 nan 0.000 0.454 96 I N 1.124 121.691 120.570 -0.004 0.000 2.512 96 I HA 0.487 4.657 4.170 -0.000 0.000 0.287 96 I C -2.428 173.653 176.117 -0.060 0.000 1.069 96 I CA -1.949 59.315 61.300 -0.059 0.000 1.056 96 I CB 2.050 40.003 38.000 -0.079 0.000 1.229 96 I HN 0.588 nan 8.210 nan 0.000 0.429 97 P HA 0.511 nan 4.420 nan 0.000 0.289 97 P C -0.741 176.527 177.300 -0.053 0.000 1.300 97 P CA -0.476 62.593 63.100 -0.052 0.000 0.828 97 P CB 1.267 33.004 31.700 0.062 0.000 1.235 98 A N -0.283 122.493 122.820 -0.072 0.000 2.287 98 A HA 0.452 4.772 4.320 -0.000 0.000 0.273 98 A C 0.565 178.166 177.584 0.029 0.000 1.091 98 A CA -0.115 51.903 52.037 -0.031 0.000 0.817 98 A CB -0.573 18.380 19.000 -0.078 0.000 1.069 98 A HN 0.544 nan 8.150 nan 0.000 0.492 99 T N -0.320 114.271 114.554 0.061 0.000 2.860 99 T HA 0.293 4.643 4.350 -0.000 0.000 0.299 99 T C -0.704 174.045 174.700 0.081 0.000 1.045 99 T CA 0.087 62.249 62.100 0.103 0.000 1.071 99 T CB -0.017 68.891 68.868 0.067 0.000 0.985 99 T HN 0.386 nan 8.240 nan 0.000 0.537 100 W N 4.431 125.784 121.300 0.089 0.000 2.322 100 W HA 0.369 5.029 4.660 -0.000 0.000 0.307 100 W C -2.052 174.489 176.519 0.037 0.000 1.220 100 W CA -2.181 55.215 57.345 0.084 0.000 1.210 100 W CB 0.262 29.785 29.460 0.104 0.000 1.223 100 W HN 0.540 nan 8.180 nan 0.000 0.511 101 P HA -0.094 nan 4.420 nan 0.000 0.255 101 P C -0.395 176.976 177.300 0.119 0.000 1.173 101 P CA 0.170 63.320 63.100 0.084 0.000 0.780 101 P CB -0.022 31.699 31.700 0.035 0.000 0.758 102 L N 2.834 124.109 121.223 0.086 0.000 2.543 102 L HA -0.032 4.307 4.340 -0.000 0.000 0.285 102 L C 1.753 178.644 176.870 0.036 0.000 1.236 102 L CA 0.824 55.716 54.840 0.087 0.000 0.871 102 L CB -0.424 41.681 42.059 0.076 0.000 1.121 102 L HN 0.400 nan 8.230 nan 0.000 0.501 103 A N 1.745 124.569 122.820 0.007 0.000 1.970 103 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 103 A C 1.111 178.685 177.584 -0.018 0.000 1.170 103 A CA 1.203 53.232 52.037 -0.014 0.000 0.645 103 A CB -0.039 18.930 19.000 -0.052 0.000 0.816 103 A HN 0.641 nan 8.150 nan 0.000 0.447 104 S N -0.899 114.787 115.700 -0.023 0.000 2.569 104 S HA 0.444 4.914 4.470 -0.000 0.000 0.280 104 S C -0.122 174.470 174.600 -0.013 0.000 1.111 104 S CA -0.171 58.017 58.200 -0.019 0.000 0.887 104 S CB 1.212 64.395 63.200 -0.028 0.000 1.095 104 S HN 0.407 nan 8.310 nan 0.000 0.476 105 N N 3.755 122.450 118.700 -0.010 0.000 2.184 105 N HA 0.162 4.902 4.740 -0.000 0.000 0.206 105 N C 1.329 176.848 175.510 0.015 0.000 1.151 105 N CA -0.132 52.909 53.050 -0.016 0.000 0.878 105 N CB -0.476 37.978 38.487 -0.055 0.000 1.014 105 N HN 0.563 nan 8.380 nan 0.000 0.512 106 L N 0.463 121.700 121.223 0.023 0.000 2.013 106 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 106 L C 2.498 179.398 176.870 0.050 0.000 1.073 106 L CA 1.715 56.584 54.840 0.049 0.000 0.753 106 L CB -0.430 41.652 42.059 0.038 0.000 0.890 106 L HN 0.275 nan 8.230 nan 0.000 0.432 107 K N 0.531 120.943 120.400 0.020 0.000 2.097 107 K HA -0.199 4.121 4.320 -0.000 0.000 0.205 107 K C 2.251 178.889 176.600 0.064 0.000 1.050 107 K CA 1.149 57.449 56.287 0.022 0.000 0.938 107 K CB 0.024 32.505 32.500 -0.031 0.000 0.718 107 K HN 0.066 nan 8.250 nan 0.000 0.442 108 K N 0.683 121.123 120.400 0.066 0.000 2.044 108 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 108 K C 2.137 178.837 176.600 0.168 0.000 1.049 108 K CA 1.783 58.123 56.287 0.089 0.000 0.927 108 K CB -0.025 32.435 32.500 -0.066 0.000 0.713 108 K HN 0.175 nan 8.250 nan 0.000 0.443 109 R N -0.175 120.427 120.500 0.170 0.000 2.070 109 R HA -0.128 4.212 4.340 -0.000 0.000 0.233 109 R C 2.474 178.887 176.300 0.187 0.000 1.137 109 R CA 1.310 57.560 56.100 0.251 0.000 0.945 109 R CB -0.504 29.932 30.300 0.227 0.000 0.845 109 R HN 0.236 nan 8.270 nan 0.000 0.430 110 A N 1.917 124.815 122.820 0.131 0.000 1.873 110 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 110 A C 1.602 179.240 177.584 0.090 0.000 1.193 110 A CA 2.024 54.116 52.037 0.093 0.000 0.629 110 A CB -0.614 18.424 19.000 0.062 0.000 0.826 110 A HN 0.204 nan 8.150 nan 0.000 0.447 111 D N -0.300 120.159 120.400 0.098 0.000 2.354 111 D HA 0.025 4.665 4.640 -0.000 0.000 0.216 111 D C 1.578 177.946 176.300 0.114 0.000 0.970 111 D CA 1.221 55.279 54.000 0.096 0.000 0.905 111 D CB -0.148 40.716 40.800 0.106 0.000 0.903 111 D HN 0.476 nan 8.370 nan 0.000 0.508 112 A N -0.046 122.861 122.820 0.145 0.000 2.348 112 A HA 0.130 4.450 4.320 -0.000 0.000 0.224 112 A C 0.182 177.824 177.584 0.095 0.000 1.227 112 A CA -0.000 52.124 52.037 0.145 0.000 0.885 112 A CB 0.433 19.574 19.000 0.235 0.000 0.933 112 A HN -0.070 nan 8.150 nan 0.000 0.506 113 D N -1.603 118.847 120.400 0.084 0.000 3.068 113 D HA -0.126 4.514 4.640 -0.000 0.000 0.218 113 D C -0.316 176.014 176.300 0.050 0.000 1.145 113 D CA 0.899 54.931 54.000 0.053 0.000 0.896 113 D CB -1.884 38.937 40.800 0.035 0.000 1.105 113 D HN 0.498 nan 8.370 nan 0.000 0.423 114 L N -0.213 121.064 121.223 0.090 0.000 2.379 114 L HA 0.689 5.029 4.340 -0.000 0.000 0.269 114 L C 1.208 178.150 176.870 0.119 0.000 1.084 114 L CA -0.851 54.054 54.840 0.108 0.000 0.802 114 L CB 0.981 43.142 42.059 0.170 0.000 1.175 114 L HN 0.044 nan 8.230 nan 0.000 0.448 115 A N 0.886 123.771 122.820 0.108 0.000 2.407 115 A HA 0.190 4.510 4.320 -0.000 0.000 0.248 115 A C 0.385 178.038 177.584 0.114 0.000 1.082 115 A CA -0.262 51.804 52.037 0.049 0.000 0.785 115 A CB 0.090 19.060 19.000 -0.050 0.000 1.020 115 A HN 0.860 nan 8.150 nan 0.000 0.489 116 D N 0.454 120.817 120.400 -0.062 0.000 2.395 116 D HA 0.416 5.056 4.640 -0.000 0.000 0.226 116 D C 0.371 176.232 176.300 -0.732 0.000 1.146 116 D CA 0.600 54.536 54.000 -0.106 0.000 0.830 116 D CB -0.240 40.545 40.800 -0.026 0.000 0.958 116 D HN 0.948 nan 8.370 nan 0.000 0.501 117 G N -0.394 107.639 108.800 -1.279 0.000 2.320 117 G HA2 0.320 4.280 3.960 -0.000 0.000 0.297 117 G HA3 0.320 4.280 3.960 -0.000 0.000 0.297 117 G C -3.226 170.975 174.900 -1.165 0.000 1.344 117 G CA -1.129 42.882 45.100 -1.815 0.000 0.851 117 G HN -0.073 nan 8.290 nan 0.000 0.567 118 P HA 0.294 nan 4.420 nan 0.000 0.268 118 P C 0.979 178.239 177.300 -0.067 0.000 1.204 118 P CA -0.283 62.693 63.100 -0.207 0.000 0.768 118 P CB 1.354 33.012 31.700 -0.069 0.000 0.842 119 V N 1.575 121.546 119.914 0.095 0.000 2.407 119 V HA -0.072 4.048 4.120 -0.000 0.000 0.245 119 V C 1.044 177.132 176.094 -0.010 0.000 1.041 119 V CA 1.927 64.218 62.300 -0.016 0.000 1.040 119 V CB -0.494 31.281 31.823 -0.079 0.000 0.671 119 V HN 0.689 nan 8.190 nan 0.000 0.455 120 S N -1.024 114.697 115.700 0.036 0.000 2.521 120 S HA 0.433 4.903 4.470 -0.000 0.000 0.295 120 S C 0.389 174.998 174.600 0.014 0.000 1.098 120 S CA -0.419 57.785 58.200 0.007 0.000 0.999 120 S CB 2.273 65.468 63.200 -0.008 0.000 1.034 120 S HN 0.202 nan 8.310 nan 0.000 0.483 121 E N 2.430 122.626 120.200 -0.007 0.000 2.187 121 E HA -0.246 4.104 4.350 -0.000 0.000 0.199 121 E C 1.888 178.481 176.600 -0.012 0.000 1.004 121 E CA 1.822 58.218 56.400 -0.007 0.000 0.813 121 E CB -0.154 29.535 29.700 -0.018 0.000 0.736 121 E HN 0.727 nan 8.360 nan 0.000 0.468 122 R N 0.230 120.711 120.500 -0.030 0.000 2.103 122 R HA -0.205 4.135 4.340 -0.000 0.000 0.234 122 R C 1.539 177.811 176.300 -0.046 0.000 1.132 122 R CA 2.252 58.316 56.100 -0.061 0.000 0.925 122 R CB -0.553 29.693 30.300 -0.089 0.000 0.842 122 R HN 0.195 nan 8.270 nan 0.000 0.430 123 D N 0.134 120.534 120.400 -0.001 0.000 2.116 123 D HA -0.207 4.433 4.640 -0.000 0.000 0.193 123 D C 1.623 177.988 176.300 0.108 0.000 0.998 123 D CA 1.713 55.734 54.000 0.036 0.000 0.836 123 D CB -0.687 40.252 40.800 0.232 0.000 0.951 123 D HN 0.360 nan 8.370 nan 0.000 0.449 124 N N 0.039 118.826 118.700 0.145 0.000 2.137 124 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 124 N C 1.686 177.268 175.510 0.120 0.000 1.017 124 N CA 0.975 54.123 53.050 0.163 0.000 0.859 124 N CB -0.252 38.278 38.487 0.071 0.000 1.002 124 N HN 0.179 nan 8.380 nan 0.000 0.428 125 L N -0.252 120.997 121.223 0.043 0.000 2.093 125 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 125 L C 2.238 179.102 176.870 -0.011 0.000 1.085 125 L CA 0.618 55.465 54.840 0.013 0.000 0.755 125 L CB -0.425 41.621 42.059 -0.022 0.000 0.904 125 L HN 0.244 nan 8.230 nan 0.000 0.435 126 L N -1.231 119.948 121.223 -0.072 0.000 2.083 126 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 126 L C 2.494 179.270 176.870 -0.157 0.000 1.083 126 L CA 1.505 56.243 54.840 -0.170 0.000 0.752 126 L CB -0.472 41.411 42.059 -0.294 0.000 0.899 126 L HN 0.138 nan 8.230 nan 0.000 0.433 127 F N -0.119 119.834 119.950 0.006 0.000 2.163 127 F HA -0.132 4.395 4.527 -0.000 0.000 0.297 127 F C 2.716 178.543 175.800 0.045 0.000 1.094 127 F CA 0.958 58.980 58.000 0.035 0.000 1.290 127 F CB -0.152 38.872 39.000 0.039 0.000 1.017 127 F HN -0.088 nan 8.300 nan 0.000 0.483 128 R N 0.176 120.798 120.500 0.204 0.000 2.115 128 R HA -0.059 4.281 4.340 -0.000 0.000 0.230 128 R C 2.390 178.743 176.300 0.089 0.000 1.111 128 R CA 0.866 57.041 56.100 0.125 0.000 0.976 128 R CB -0.714 29.638 30.300 0.087 0.000 0.870 128 R HN 0.259 nan 8.270 nan 0.000 0.445 129 A N 2.014 124.860 122.820 0.043 0.000 1.849 129 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 129 A C 2.486 180.072 177.584 0.005 0.000 1.202 129 A CA 1.969 54.000 52.037 -0.010 0.000 0.629 129 A CB -1.023 17.921 19.000 -0.094 0.000 0.834 129 A HN 0.375 nan 8.150 nan 0.000 0.447 130 A N -0.682 122.133 122.820 -0.008 0.000 1.903 130 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 130 A C 2.262 180.047 177.584 0.335 0.000 1.191 130 A CA 2.406 54.549 52.037 0.176 0.000 0.638 130 A CB -1.326 17.911 19.000 0.395 0.000 0.823 130 A HN 0.593 nan 8.150 nan 0.000 0.451 131 V N 0.153 120.222 119.914 0.258 0.000 2.282 131 V HA -0.348 3.772 4.120 -0.000 0.000 0.249 131 V C 2.684 178.940 176.094 0.271 0.000 1.057 131 V CA 2.440 64.881 62.300 0.234 0.000 1.032 131 V CB -0.920 30.946 31.823 0.071 0.000 0.645 131 V HN 0.549 nan 8.190 nan 0.000 0.447 132 R N -0.236 120.378 120.500 0.190 0.000 2.080 132 R HA -0.115 4.225 4.340 -0.000 0.000 0.236 132 R C 2.308 178.757 176.300 0.250 0.000 1.137 132 R CA 1.624 57.836 56.100 0.187 0.000 0.943 132 R CB -0.630 29.744 30.300 0.124 0.000 0.846 132 R HN 0.435 nan 8.270 nan 0.000 0.431 133 L N 0.085 121.467 121.223 0.265 0.000 2.141 133 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 133 L C 2.528 179.663 176.870 0.441 0.000 1.094 133 L CA 1.116 56.179 54.840 0.371 0.000 0.763 133 L CB -0.302 41.960 42.059 0.337 0.000 0.908 133 L HN 0.212 nan 8.230 nan 0.000 0.437 134 M N -1.336 118.512 119.600 0.413 0.000 2.193 134 M HA -0.066 4.414 4.480 -0.000 0.000 0.265 134 M C 0.450 176.730 176.300 -0.033 0.000 1.071 134 M CA 1.574 57.001 55.300 0.211 0.000 1.140 134 M CB 0.179 32.914 32.600 0.226 0.000 1.369 134 M HN 0.021 nan 8.290 nan 0.000 0.423 135 F N 0.620 120.632 119.950 0.104 0.000 2.975 135 F HA 0.267 4.794 4.527 -0.000 0.000 0.311 135 F C 0.205 176.107 175.800 0.171 0.000 1.239 135 F CA -0.636 57.413 58.000 0.082 0.000 1.282 135 F CB 0.035 38.971 39.000 -0.107 0.000 1.071 135 F HN -0.092 nan 8.300 nan 0.000 0.516 136 S N -1.360 114.464 115.700 0.207 0.000 2.546 136 S HA 0.468 4.938 4.470 -0.000 0.000 0.272 136 S C -1.177 173.464 174.600 0.069 0.000 1.140 136 S CA -1.067 57.222 58.200 0.148 0.000 0.920 136 S CB 1.931 65.225 63.200 0.158 0.000 1.083 136 S HN 0.283 nan 8.310 nan 0.000 0.476 137 D N 0.998 121.411 120.400 0.022 0.000 2.848 137 D HA -0.133 4.507 4.640 -0.000 0.000 0.245 137 D C -0.772 175.511 176.300 -0.028 0.000 1.122 137 D CA 0.779 54.774 54.000 -0.009 0.000 0.769 137 D CB -1.789 39.013 40.800 0.004 0.000 1.025 137 D HN 0.649 nan 8.370 nan 0.000 0.423 138 L N 0.371 121.564 121.223 -0.050 0.000 2.295 138 L HA 0.320 4.660 4.340 -0.000 0.000 0.285 138 L C 0.898 177.727 176.870 -0.068 0.000 1.035 138 L CA -0.792 54.007 54.840 -0.068 0.000 0.806 138 L CB 1.270 43.276 42.059 -0.087 0.000 1.214 138 L HN -0.150 nan 8.230 nan 0.000 0.426 139 E N 3.714 123.877 120.200 -0.062 0.000 2.194 139 E HA 0.273 4.623 4.350 -0.000 0.000 0.284 139 E C -2.282 174.290 176.600 -0.046 0.000 1.035 139 E CA -2.232 54.136 56.400 -0.052 0.000 0.836 139 E CB 0.849 30.521 29.700 -0.047 0.000 1.070 139 E HN 0.218 nan 8.360 nan 0.000 0.401 140 P HA -0.037 nan 4.420 nan 0.000 0.266 140 P C -0.274 177.021 177.300 -0.009 0.000 1.215 140 P CA 0.048 63.137 63.100 -0.019 0.000 0.763 140 P CB 0.551 32.242 31.700 -0.016 0.000 0.806 141 V N 2.089 122.004 119.914 0.002 0.000 3.145 141 V HA 0.878 4.998 4.120 -0.000 0.000 0.311 141 V C -2.774 173.330 176.094 0.017 0.000 1.238 141 V CA -3.032 59.269 62.300 0.002 0.000 1.066 141 V CB 1.766 33.584 31.823 -0.007 0.000 1.144 141 V HN 0.177 nan 8.190 nan 0.000 0.465 142 P HA 0.428 nan 4.420 nan 0.000 0.288 142 P C -0.679 176.638 177.300 0.028 0.000 1.267 142 P CA -0.461 62.647 63.100 0.013 0.000 0.815 142 P CB 0.892 32.589 31.700 -0.006 0.000 0.989 143 L N 3.788 125.027 121.223 0.027 0.000 2.456 143 L HA 0.119 4.459 4.340 -0.000 0.000 0.277 143 L C 0.267 177.168 176.870 0.053 0.000 1.124 143 L CA 0.007 54.873 54.840 0.043 0.000 0.880 143 L CB -0.055 42.017 42.059 0.020 0.000 1.192 143 L HN 0.145 nan 8.230 nan 0.000 0.463 144 K N 7.412 127.861 120.400 0.082 0.000 2.234 144 K HA 0.451 4.771 4.320 -0.000 0.000 0.277 144 K C -0.644 176.022 176.600 0.109 0.000 1.038 144 K CA -0.311 56.031 56.287 0.092 0.000 0.888 144 K CB 1.650 34.242 32.500 0.153 0.000 1.091 144 K HN 0.572 nan 8.250 nan 0.000 0.467 145 I N 2.907 123.535 120.570 0.098 0.000 2.378 145 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 145 I C 0.525 176.670 176.117 0.047 0.000 0.992 145 I CA -1.160 60.210 61.300 0.117 0.000 1.154 145 I CB 1.503 39.595 38.000 0.153 0.000 1.315 145 I HN 0.390 nan 8.210 nan 0.000 0.448 146 R N 5.835 126.355 120.500 0.032 0.000 2.784 146 R HA 0.131 4.471 4.340 -0.000 0.000 0.266 146 R C -0.501 175.778 176.300 -0.035 0.000 1.044 146 R CA 0.298 56.395 56.100 -0.006 0.000 1.151 146 R CB 0.513 30.816 30.300 0.005 0.000 1.037 146 R HN 0.457 nan 8.270 nan 0.000 0.478 147 K N 2.018 122.390 120.400 -0.045 0.000 2.258 147 K HA 0.267 4.587 4.320 -0.000 0.000 0.284 147 K C 0.213 176.766 176.600 -0.078 0.000 1.051 147 K CA 0.492 56.746 56.287 -0.055 0.000 0.923 147 K CB 1.230 33.702 32.500 -0.047 0.000 1.046 147 K HN 0.908 nan 8.250 nan 0.000 0.474 148 G N 1.996 110.744 108.800 -0.087 0.000 2.160 148 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.251 148 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.251 148 G C -0.011 174.826 174.900 -0.106 0.000 1.008 148 G CA 0.603 45.646 45.100 -0.094 0.000 0.724 148 G HN 0.624 nan 8.290 nan 0.000 0.514 149 S N -0.609 115.018 115.700 -0.121 0.000 2.499 149 S HA 0.719 5.189 4.470 -0.000 0.000 0.279 149 S C 0.484 174.978 174.600 -0.177 0.000 1.219 149 S CA 0.456 58.580 58.200 -0.126 0.000 1.062 149 S CB 1.987 65.124 63.200 -0.105 0.000 0.978 149 S HN 1.279 nan 8.310 nan 0.000 0.489 150 S N 1.900 117.510 115.700 -0.149 0.000 2.563 150 S HA 0.130 4.600 4.470 -0.000 0.000 0.284 150 S C 1.607 176.020 174.600 -0.312 0.000 1.331 150 S CA 0.218 58.304 58.200 -0.191 0.000 1.047 150 S CB 0.132 63.245 63.200 -0.147 0.000 0.859 150 S HN 1.026 nan 8.310 nan 0.000 0.514 151 T N 1.126 115.460 114.554 -0.366 0.000 3.081 151 T HA 0.159 4.509 4.350 -0.000 0.000 0.255 151 T C 1.158 175.619 174.700 -0.398 0.000 1.113 151 T CA 0.344 62.204 62.100 -0.401 0.000 1.082 151 T CB -1.355 67.341 68.868 -0.286 0.000 0.939 151 T HN 0.811 nan 8.240 nan 0.000 0.506 152 C N 0.410 119.241 119.300 -0.780 0.000 0.168 152 C HA -0.212 4.248 4.460 -0.000 0.000 0.017 152 C C 1.021 175.244 174.990 -1.278 0.000 0.171 152 C CA -1.309 56.755 59.018 -1.589 0.000 0.499 152 C CB -1.665 25.605 27.740 -0.783 0.000 3.212 152 C HN 0.749 nan 8.230 nan 0.000 1.118 153 I N 3.271 123.284 120.570 -0.928 0.000 2.996 153 I HA -0.045 4.125 4.170 -0.000 0.000 0.310 153 I C -0.734 175.249 176.117 -0.223 0.000 1.225 153 I CA 0.457 61.583 61.300 -0.290 0.000 1.442 153 I CB 0.238 38.137 38.000 -0.168 0.000 1.334 153 I HN 0.615 nan 8.210 nan 0.000 0.550 154 P HA 0.020 nan 4.420 nan 0.000 0.268 154 P C 0.829 178.105 177.300 -0.039 0.000 1.248 154 P CA 0.702 63.686 63.100 -0.194 0.000 0.851 154 P CB 0.340 31.811 31.700 -0.382 0.000 1.238 155 Y N -0.991 119.391 120.300 0.138 0.000 2.347 155 Y HA 0.261 4.811 4.550 -0.000 0.000 0.294 155 Y C 0.971 177.054 175.900 0.305 0.000 1.117 155 Y CA 0.234 58.435 58.100 0.168 0.000 1.184 155 Y CB -0.967 37.524 38.460 0.051 0.000 1.047 155 Y HN -0.300 nan 8.280 nan 0.000 0.546 156 F N -0.109 119.885 119.950 0.074 0.000 3.058 156 F HA -0.268 4.259 4.527 -0.000 0.000 0.295 156 F C 0.773 176.559 175.800 -0.024 0.000 0.875 156 F CA 0.386 58.372 58.000 -0.024 0.000 1.150 156 F CB -1.692 37.272 39.000 -0.060 0.000 1.175 156 F HN -0.073 nan 8.300 nan 0.000 0.599 157 S N 0.183 115.931 115.700 0.079 0.000 2.585 157 S HA 0.283 4.753 4.470 -0.000 0.000 0.273 157 S C 1.002 175.562 174.600 -0.066 0.000 1.339 157 S CA 0.387 58.589 58.200 0.003 0.000 1.028 157 S CB 0.919 64.094 63.200 -0.042 0.000 0.906 157 S HN 0.531 nan 8.310 nan 0.000 0.528 158 N N 1.413 120.076 118.700 -0.063 0.000 2.143 158 N HA 0.081 4.821 4.740 -0.000 0.000 0.222 158 N C -0.653 174.803 175.510 -0.090 0.000 1.264 158 N CA -0.293 52.706 53.050 -0.084 0.000 0.897 158 N CB 0.378 38.835 38.487 -0.051 0.000 1.092 158 N HN 0.588 nan 8.380 nan 0.000 0.516 159 D N 0.634 120.985 120.400 -0.081 0.000 2.225 159 D HA 0.006 4.646 4.640 -0.000 0.000 0.248 159 D C 0.956 177.207 176.300 -0.082 0.000 1.096 159 D CA -0.367 53.589 54.000 -0.073 0.000 0.863 159 D CB 1.506 42.271 40.800 -0.059 0.000 1.156 159 D HN 0.096 nan 8.370 nan 0.000 0.450 160 M N 3.911 123.468 119.600 -0.072 0.000 2.159 160 M HA 0.020 4.500 4.480 -0.000 0.000 0.263 160 M C 1.820 178.099 176.300 -0.036 0.000 1.063 160 M CA 2.016 57.282 55.300 -0.056 0.000 1.110 160 M CB -0.647 31.914 32.600 -0.064 0.000 1.374 160 M HN 0.576 nan 8.290 nan 0.000 0.411 161 G N -1.432 107.339 108.800 -0.048 0.000 2.418 161 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 161 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 161 G C 1.377 176.258 174.900 -0.032 0.000 1.158 161 G CA 1.450 46.528 45.100 -0.036 0.000 0.771 161 G HN 0.520 nan 8.290 nan 0.000 0.545 162 T N 0.830 115.353 114.554 -0.052 0.000 2.732 162 T HA -0.020 4.330 4.350 -0.000 0.000 0.261 162 T C 2.252 176.931 174.700 -0.035 0.000 1.040 162 T CA 1.283 63.343 62.100 -0.067 0.000 1.145 162 T CB -0.198 68.611 68.868 -0.097 0.000 0.866 162 T HN 0.262 nan 8.240 nan 0.000 0.427 163 K N 0.762 121.129 120.400 -0.055 0.000 2.052 163 K HA -0.146 4.174 4.320 -0.000 0.000 0.215 163 K C 2.221 178.909 176.600 0.146 0.000 1.053 163 K CA 1.679 57.942 56.287 -0.041 0.000 0.934 163 K CB -0.491 31.915 32.500 -0.157 0.000 0.717 163 K HN 0.315 nan 8.250 nan 0.000 0.450 164 I N 0.883 121.510 120.570 0.096 0.000 2.179 164 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 164 I C 2.748 178.914 176.117 0.081 0.000 1.088 164 I CA 1.223 62.592 61.300 0.113 0.000 1.357 164 I CB -0.487 37.572 38.000 0.099 0.000 1.051 164 I HN 0.361 nan 8.210 nan 0.000 0.409 165 E N 1.872 122.098 120.200 0.043 0.000 2.130 165 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 165 E C 2.162 178.779 176.600 0.029 0.000 0.998 165 E CA 1.632 58.041 56.400 0.016 0.000 0.806 165 E CB -0.124 29.564 29.700 -0.019 0.000 0.738 165 E HN 0.520 nan 8.360 nan 0.000 0.459 166 I N 1.014 121.627 120.570 0.070 0.000 2.110 166 I HA -0.247 3.922 4.170 -0.000 0.000 0.236 166 I C 2.806 178.965 176.117 0.071 0.000 1.068 166 I CA 1.057 62.423 61.300 0.109 0.000 1.333 166 I CB -0.704 37.442 38.000 0.243 0.000 1.054 166 I HN 0.085 nan 8.210 nan 0.000 0.402 167 A N 0.817 123.717 122.820 0.134 0.000 1.870 167 A HA -0.337 3.983 4.320 -0.000 0.000 0.219 167 A C 2.211 179.743 177.584 -0.086 0.000 1.224 167 A CA 2.497 54.510 52.037 -0.041 0.000 0.650 167 A CB -1.057 17.995 19.000 0.087 0.000 0.836 167 A HN 0.495 nan 8.150 nan 0.000 0.454 168 E N -1.428 118.756 120.200 -0.027 0.000 2.048 168 E HA -0.289 4.061 4.350 -0.000 0.000 0.202 168 E C 2.313 178.878 176.600 -0.059 0.000 1.021 168 E CA 1.735 58.107 56.400 -0.045 0.000 0.825 168 E CB -0.175 29.519 29.700 -0.009 0.000 0.756 168 E HN 0.519 nan 8.360 nan 0.000 0.454 169 R N 0.746 121.228 120.500 -0.030 0.000 2.127 169 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 169 R C 1.898 178.172 176.300 -0.042 0.000 1.134 169 R CA 1.486 57.575 56.100 -0.019 0.000 0.975 169 R CB -0.430 29.875 30.300 0.008 0.000 0.865 169 R HN 0.195 nan 8.270 nan 0.000 0.447 170 A N 0.589 123.360 122.820 -0.082 0.000 1.845 170 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 170 A C 2.154 179.622 177.584 -0.194 0.000 1.195 170 A CA 1.462 53.420 52.037 -0.132 0.000 0.616 170 A CB -0.699 18.183 19.000 -0.197 0.000 0.832 170 A HN 0.340 nan 8.150 nan 0.000 0.443 171 L N -0.425 120.617 121.223 -0.301 0.000 2.187 171 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 171 L C 2.472 179.257 176.870 -0.142 0.000 1.100 171 L CA 1.605 56.146 54.840 -0.497 0.000 0.765 171 L CB -0.750 41.005 42.059 -0.507 0.000 0.904 171 L HN 0.552 nan 8.230 nan 0.000 0.437 172 E N -0.310 119.838 120.200 -0.087 0.000 2.170 172 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 172 E C 1.438 177.993 176.600 -0.074 0.000 0.981 172 E CA 0.515 56.895 56.400 -0.034 0.000 0.830 172 E CB 0.269 29.954 29.700 -0.025 0.000 0.775 172 E HN 0.266 nan 8.360 nan 0.000 0.470 173 K N 0.017 120.343 120.400 -0.122 0.000 2.387 173 K HA 0.278 4.598 4.320 -0.000 0.000 0.203 173 K C 1.342 177.708 176.600 -0.390 0.000 1.030 173 K CA 0.059 56.191 56.287 -0.259 0.000 1.099 173 K CB 1.135 33.494 32.500 -0.235 0.000 0.863 173 K HN -0.021 nan 8.250 nan 0.000 0.529 174 A N 1.436 124.139 122.820 -0.196 0.000 1.930 174 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 174 A C 2.154 179.622 177.584 -0.192 0.000 1.175 174 A CA 1.791 53.781 52.037 -0.079 0.000 0.627 174 A CB -0.242 18.893 19.000 0.226 0.000 0.815 174 A HN 0.449 nan 8.150 nan 0.000 0.443 175 E N 0.082 119.899 120.200 -0.637 0.000 2.038 175 E HA -0.289 4.061 4.350 -0.000 0.000 0.195 175 E C 1.957 178.115 176.600 -0.737 0.000 1.000 175 E CA 1.645 57.117 56.400 -1.546 0.000 0.803 175 E CB -0.321 28.218 29.700 -1.934 0.000 0.750 175 E HN 0.700 nan 8.360 nan 0.000 0.448 176 E N -0.391 119.497 120.200 -0.520 0.000 2.118 176 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 176 E C 1.879 178.330 176.600 -0.249 0.000 0.992 176 E CA 1.146 57.347 56.400 -0.332 0.000 0.804 176 E CB -0.178 29.352 29.700 -0.282 0.000 0.741 176 E HN 0.431 nan 8.360 nan 0.000 0.458 177 A N 0.331 122.958 122.820 -0.321 0.000 1.970 177 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 177 A C 2.303 179.838 177.584 -0.081 0.000 1.170 177 A CA 1.187 53.120 52.037 -0.173 0.000 0.645 177 A CB -0.769 18.112 19.000 -0.198 0.000 0.816 177 A HN 0.420 nan 8.150 nan 0.000 0.447 178 G N 0.663 109.453 108.800 -0.017 0.000 2.491 178 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 178 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 178 G C 1.413 176.349 174.900 0.060 0.000 1.180 178 G CA 1.130 46.302 45.100 0.121 0.000 0.774 178 G HN 0.520 nan 8.290 nan 0.000 0.562 179 N N 0.524 119.251 118.700 0.045 0.000 2.149 179 N HA -0.051 4.689 4.740 -0.000 0.000 0.188 179 N C 2.328 177.818 175.510 -0.032 0.000 1.019 179 N CA 0.767 53.833 53.050 0.027 0.000 0.857 179 N CB -0.341 38.149 38.487 0.005 0.000 0.997 179 N HN 0.317 nan 8.380 nan 0.000 0.426 180 L N 0.625 121.810 121.223 -0.063 0.000 2.017 180 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 180 L C 2.451 179.200 176.870 -0.201 0.000 1.073 180 L CA 1.053 55.842 54.840 -0.085 0.000 0.745 180 L CB -0.346 41.683 42.059 -0.049 0.000 0.894 180 L HN 0.142 nan 8.230 nan 0.000 0.432 181 M N -0.755 118.647 119.600 -0.329 0.000 2.117 181 M HA -0.242 4.238 4.480 -0.000 0.000 0.262 181 M C 2.360 178.409 176.300 -0.417 0.000 1.065 181 M CA 1.744 56.605 55.300 -0.733 0.000 1.114 181 M CB -0.483 31.694 32.600 -0.705 0.000 1.361 181 M HN 0.248 nan 8.290 nan 0.000 0.408 182 L N 0.031 121.157 121.223 -0.162 0.000 2.081 182 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 182 L C 2.029 178.886 176.870 -0.021 0.000 1.080 182 L CA 1.411 56.227 54.840 -0.039 0.000 0.754 182 L CB -0.503 41.573 42.059 0.028 0.000 0.893 182 L HN 0.426 nan 8.230 nan 0.000 0.433 183 Q N -0.438 119.336 119.800 -0.043 0.000 2.373 183 Q HA 0.087 4.427 4.340 -0.000 0.000 0.206 183 Q C 1.396 177.401 176.000 0.009 0.000 0.942 183 Q CA 0.494 56.293 55.803 -0.007 0.000 0.953 183 Q CB 0.262 28.997 28.738 -0.005 0.000 1.022 183 Q HN 0.580 nan 8.270 nan 0.000 0.502 184 G N 1.933 110.727 108.800 -0.010 0.000 2.175 184 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.265 184 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.265 184 G C 0.102 175.114 174.900 0.188 0.000 0.979 184 G CA 0.241 45.439 45.100 0.163 0.000 0.663 184 G HN 0.342 nan 8.290 nan 0.000 0.533 185 K N 0.445 120.849 120.400 0.007 0.000 2.333 185 K HA 0.439 4.759 4.320 -0.000 0.000 0.241 185 K C 0.762 177.373 176.600 0.018 0.000 1.193 185 K CA -0.596 55.721 56.287 0.050 0.000 1.142 185 K CB -0.116 32.394 32.500 0.017 0.000 1.731 185 K HN 0.229 nan 8.250 nan 0.000 0.344 186 F N 1.241 121.215 119.950 0.040 0.000 2.128 186 F HA -0.156 4.371 4.527 -0.000 0.000 0.295 186 F C 1.887 177.727 175.800 0.068 0.000 1.100 186 F CA 1.179 59.206 58.000 0.045 0.000 1.260 186 F CB -0.050 38.959 39.000 0.014 0.000 1.009 186 F HN 0.336 nan 8.300 nan 0.000 0.476 187 D N 0.327 120.877 120.400 0.251 0.000 2.172 187 D HA -0.183 4.457 4.640 -0.000 0.000 0.196 187 D C 1.695 178.093 176.300 0.163 0.000 0.999 187 D CA 1.547 55.654 54.000 0.178 0.000 0.856 187 D CB -0.417 40.452 40.800 0.114 0.000 0.934 187 D HN 0.256 nan 8.370 nan 0.000 0.453 188 D N -0.360 120.109 120.400 0.115 0.000 2.183 188 D HA -0.003 4.637 4.640 -0.000 0.000 0.203 188 D C 1.934 178.279 176.300 0.075 0.000 0.969 188 D CA 0.917 54.957 54.000 0.068 0.000 0.842 188 D CB -0.155 40.671 40.800 0.044 0.000 0.957 188 D HN 0.164 nan 8.370 nan 0.000 0.484 189 A N -0.071 122.811 122.820 0.104 0.000 1.898 189 A HA -0.146 4.174 4.320 -0.000 0.000 0.214 189 A C 2.131 179.818 177.584 0.172 0.000 1.183 189 A CA 0.809 52.930 52.037 0.140 0.000 0.622 189 A CB -0.842 18.185 19.000 0.045 0.000 0.824 189 A HN 0.295 nan 8.150 nan 0.000 0.444 190 Y N 0.450 120.780 120.300 0.051 0.000 2.163 190 Y HA -0.188 4.362 4.550 -0.000 0.000 0.288 190 Y C 2.454 178.343 175.900 -0.018 0.000 1.136 190 Y CA 2.290 60.401 58.100 0.018 0.000 1.147 190 Y CB -0.357 38.107 38.460 0.007 0.000 0.987 190 Y HN 0.387 nan 8.280 nan 0.000 0.509 191 Q N -0.235 119.541 119.800 -0.040 0.000 2.167 191 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 191 Q C 2.229 178.094 176.000 -0.224 0.000 0.970 191 Q CA 1.619 57.326 55.803 -0.161 0.000 0.855 191 Q CB -0.040 28.689 28.738 -0.014 0.000 0.911 191 Q HN 0.519 nan 8.270 nan 0.000 0.438 192 L N -0.927 120.161 121.223 -0.226 0.000 2.162 192 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 192 L C 1.485 177.980 176.870 -0.624 0.000 1.086 192 L CA 0.789 55.364 54.840 -0.442 0.000 0.778 192 L CB 0.034 41.771 42.059 -0.536 0.000 0.928 192 L HN 0.344 nan 8.230 nan 0.000 0.446 193 H N -1.446 117.562 119.070 -0.102 0.000 3.233 193 H HA 0.171 4.727 4.556 -0.000 0.000 0.263 193 H C 0.169 175.427 175.328 -0.117 0.000 1.168 193 H CA -0.011 55.987 56.048 -0.083 0.000 1.159 193 H CB 0.940 30.669 29.762 -0.056 0.000 1.593 193 H HN 0.096 nan 8.280 nan 0.000 0.580 194 Q N 0.010 119.698 119.800 -0.187 0.000 2.494 194 Q HA -0.163 4.177 4.340 -0.000 0.000 0.266 194 Q C -0.328 175.646 176.000 -0.044 0.000 1.053 194 Q CA 0.714 56.309 55.803 -0.347 0.000 1.029 194 Q CB -1.889 26.716 28.738 -0.223 0.000 1.423 194 Q HN 0.437 nan 8.270 nan 0.000 0.516 195 M N -0.043 119.603 119.600 0.076 0.000 2.061 195 M HA 0.543 5.023 4.480 -0.000 0.000 0.346 195 M C 0.869 177.290 176.300 0.202 0.000 1.112 195 M CA 0.485 55.850 55.300 0.108 0.000 1.021 195 M CB 1.224 33.862 32.600 0.063 0.000 1.530 195 M HN 0.414 nan 8.290 nan 0.000 0.437 196 G N 1.571 110.474 108.800 0.171 0.000 2.297 196 G HA2 0.301 4.261 3.960 -0.000 0.000 0.209 196 G HA3 0.301 4.261 3.960 -0.000 0.000 0.209 196 G C -0.055 174.853 174.900 0.014 0.000 1.267 196 G CA -0.296 44.878 45.100 0.123 0.000 1.127 196 G HN 1.194 nan 8.290 nan 0.000 0.498 197 G N -0.798 107.808 108.800 -0.323 0.000 3.597 197 G HA2 0.474 4.434 3.960 -0.000 0.000 0.256 197 G HA3 0.474 4.434 3.960 -0.000 0.000 0.256 197 G C 0.740 175.426 174.900 -0.356 0.000 1.792 197 G CA 2.200 46.892 45.100 -0.680 0.000 1.219 197 G HN 3.145 nan 8.290 nan 0.000 0.577 198 A N -2.208 120.462 122.820 -0.250 0.000 2.489 198 A HA 0.643 4.963 4.320 -0.000 0.000 0.293 198 A C -1.259 176.244 177.584 -0.135 0.000 1.004 198 A CA -0.177 51.776 52.037 -0.141 0.000 0.626 198 A CB -0.068 18.901 19.000 -0.051 0.000 1.345 198 A HN 1.595 nan 8.150 nan 0.000 0.447 199 Y N -0.443 119.864 120.300 0.012 0.000 2.307 199 Y HA 0.500 5.050 4.550 -0.000 0.000 0.324 199 Y C -0.100 175.878 175.900 0.130 0.000 1.238 199 Y CA 0.841 58.966 58.100 0.041 0.000 1.280 199 Y CB 1.098 39.561 38.460 0.004 0.000 1.248 199 Y HN 0.639 nan 8.280 nan 0.000 0.508 200 Y N 1.917 122.337 120.300 0.201 0.000 2.328 200 Y HA 0.503 5.053 4.550 -0.000 0.000 0.337 200 Y C -0.784 175.191 175.900 0.125 0.000 0.966 200 Y CA -1.109 57.115 58.100 0.206 0.000 1.136 200 Y CB 0.788 39.387 38.460 0.232 0.000 1.170 200 Y HN 0.319 nan 8.280 nan 0.000 0.470 201 V N 7.535 127.407 119.914 -0.070 0.000 2.485 201 V HA 0.079 4.199 4.120 -0.000 0.000 0.287 201 V C -0.035 175.937 176.094 -0.204 0.000 1.022 201 V CA 0.060 62.235 62.300 -0.209 0.000 1.067 201 V CB 0.232 31.817 31.823 -0.396 0.000 0.967 201 V HN 0.564 nan 8.190 nan 0.000 0.479 202 V N 5.717 125.514 119.914 -0.195 0.000 2.815 202 V HA 0.554 4.674 4.120 -0.000 0.000 0.314 202 V C -0.758 175.135 176.094 -0.335 0.000 1.064 202 V CA -0.795 61.428 62.300 -0.129 0.000 0.952 202 V CB 2.121 33.977 31.823 0.056 0.000 1.020 202 V HN 0.714 nan 8.190 nan 0.000 0.439 203 Y N 1.984 122.342 120.300 0.096 0.000 2.528 203 Y HA 0.750 5.300 4.550 -0.000 0.000 0.335 203 Y C 0.269 176.205 175.900 0.060 0.000 1.093 203 Y CA -0.872 57.263 58.100 0.059 0.000 1.134 203 Y CB 1.461 39.952 38.460 0.051 0.000 1.253 203 Y HN 0.490 nan 8.280 nan 0.000 0.478 204 R N 1.522 122.129 120.500 0.178 0.000 2.510 204 R HA 0.784 5.124 4.340 -0.000 0.000 0.294 204 R C -1.493 174.787 176.300 -0.032 0.000 1.056 204 R CA -0.614 55.510 56.100 0.040 0.000 0.918 204 R CB 0.978 31.295 30.300 0.028 0.000 1.187 204 R HN 0.853 nan 8.270 nan 0.000 0.437 205 A N 3.711 126.453 122.820 -0.131 0.000 2.351 205 A HA 0.379 4.699 4.320 -0.000 0.000 0.257 205 A C -0.747 176.740 177.584 -0.162 0.000 1.087 205 A CA -0.317 51.651 52.037 -0.115 0.000 0.798 205 A CB 0.557 19.491 19.000 -0.110 0.000 1.033 205 A HN 0.835 nan 8.150 nan 0.000 0.488 206 Q N -0.061 119.667 119.800 -0.120 0.000 2.842 206 Q HA 0.468 4.808 4.340 -0.000 0.000 0.215 206 Q C -0.491 175.398 176.000 -0.184 0.000 0.764 206 Q CA -0.046 55.673 55.803 -0.140 0.000 0.994 206 Q CB 0.181 28.855 28.738 -0.106 0.000 1.554 206 Q HN 1.782 nan 8.270 nan 0.000 0.475 207 S N -0.068 115.425 115.700 -0.345 0.000 1.235 207 S HA -0.094 4.376 4.470 -0.000 0.000 0.253 207 S C 0.215 174.484 174.600 -0.552 0.000 0.633 207 S CA 0.359 58.379 58.200 -0.300 0.000 0.973 207 S CB -0.769 62.344 63.200 -0.145 0.000 0.934 207 S HN 0.796 nan 8.310 nan 0.000 0.485 208 T N 1.989 116.254 114.554 -0.481 0.000 3.422 208 T HA 0.390 4.740 4.350 -0.000 0.000 0.327 208 T C -0.199 174.412 174.700 -0.148 0.000 0.840 208 T CA -0.302 61.559 62.100 -0.400 0.000 1.126 208 T CB 1.627 70.459 68.868 -0.060 0.000 1.008 208 T HN 0.215 nan 8.240 nan 0.000 0.485 209 D N 2.760 123.099 120.400 -0.102 0.000 2.087 209 D HA 0.293 4.933 4.640 -0.000 0.000 0.218 209 D C 0.726 177.060 176.300 0.056 0.000 0.982 209 D CA 1.216 55.224 54.000 0.013 0.000 0.900 209 D CB 0.297 41.129 40.800 0.053 0.000 1.072 209 D HN 0.786 nan 8.370 nan 0.000 0.459 210 A N -0.784 122.099 122.820 0.104 0.000 2.573 210 A HA 0.538 4.858 4.320 -0.000 0.000 0.299 210 A C -1.301 176.300 177.584 0.028 0.000 1.060 210 A CA -0.579 51.506 52.037 0.079 0.000 0.736 210 A CB 0.547 19.557 19.000 0.017 0.000 1.280 210 A HN 0.190 nan 8.150 nan 0.000 0.401 211 I N 1.884 122.490 120.570 0.060 0.000 2.569 211 I HA 0.758 4.928 4.170 -0.000 0.000 0.296 211 I C 0.366 176.488 176.117 0.008 0.000 1.028 211 I CA -0.458 60.864 61.300 0.036 0.000 1.082 211 I CB 2.758 40.890 38.000 0.220 0.000 1.264 211 I HN 0.886 nan 8.210 nan 0.000 0.429 212 T N 2.478 117.030 114.554 -0.003 0.000 2.787 212 T HA 0.722 5.072 4.350 -0.000 0.000 0.297 212 T C -1.141 173.473 174.700 -0.144 0.000 1.221 212 T CA -0.945 61.040 62.100 -0.192 0.000 1.006 212 T CB 1.571 70.334 68.868 -0.176 0.000 1.328 212 T HN 0.230 nan 8.240 nan 0.000 0.509 213 L N 0.408 121.448 121.223 -0.306 0.000 2.322 213 L HA 0.596 4.936 4.340 -0.000 0.000 0.281 213 L C 1.084 177.828 176.870 -0.209 0.000 1.014 213 L CA -0.675 53.965 54.840 -0.333 0.000 0.815 213 L CB 0.067 41.912 42.059 -0.356 0.000 1.247 213 L HN 0.800 nan 8.230 nan 0.000 0.421 214 D N 3.482 123.777 120.400 -0.175 0.000 2.106 214 D HA -0.083 4.557 4.640 -0.000 0.000 0.194 214 D C -0.855 175.391 176.300 -0.090 0.000 0.988 214 D CA 2.019 55.957 54.000 -0.103 0.000 0.845 214 D CB -0.037 40.722 40.800 -0.069 0.000 0.990 214 D HN 0.720 nan 8.370 nan 0.000 0.448 215 P HA 0.226 nan 4.420 nan 0.000 0.280 215 P C -0.581 176.684 177.300 -0.058 0.000 1.431 215 P CA 0.058 63.103 63.100 -0.090 0.000 1.058 215 P CB 0.398 32.044 31.700 -0.089 0.000 1.521 216 K N 0.320 120.693 120.400 -0.044 0.000 2.265 216 K HA 0.444 4.764 4.320 -0.000 0.000 0.242 216 K C 0.448 177.036 176.600 -0.021 0.000 1.137 216 K CA -0.022 56.248 56.287 -0.029 0.000 1.082 216 K CB 0.092 32.578 32.500 -0.024 0.000 1.731 216 K HN -0.040 nan 8.250 nan 0.000 0.392 217 T N -1.668 112.876 114.554 -0.017 0.000 3.870 217 T HA 0.254 4.603 4.350 -0.000 0.000 0.278 217 T C -0.408 174.296 174.700 0.006 0.000 0.880 217 T CA -0.040 62.058 62.100 -0.003 0.000 1.182 217 T CB 0.400 69.268 68.868 0.001 0.000 1.010 217 T HN 0.355 nan 8.240 nan 0.000 0.424 218 G N 2.654 111.456 108.800 0.004 0.000 2.588 218 G HA2 0.451 4.410 3.960 -0.000 0.000 0.239 218 G HA3 0.451 4.410 3.960 -0.000 0.000 0.239 218 G C -0.609 174.252 174.900 -0.065 0.000 1.275 218 G CA 0.188 45.274 45.100 -0.023 0.000 1.181 218 G HN 0.853 nan 8.290 nan 0.000 0.595 219 K N -0.042 120.295 120.400 -0.105 0.000 6.247 219 K HA -0.060 4.260 4.320 -0.000 0.000 0.784 219 K C -1.554 174.989 176.600 -0.096 0.000 2.569 219 K CA -0.266 55.995 56.287 -0.044 0.000 1.719 219 K CB -1.001 31.544 32.500 0.075 0.000 2.440 219 K HN 0.951 nan 8.250 nan 0.000 0.270 220 F N 0.822 120.860 119.950 0.146 0.000 2.399 220 F HA 0.630 5.157 4.527 -0.000 0.000 0.334 220 F C 0.223 176.199 175.800 0.294 0.000 1.097 220 F CA -0.397 57.753 58.000 0.250 0.000 1.076 220 F CB 2.116 41.315 39.000 0.333 0.000 1.162 220 F HN 0.278 nan 8.300 nan 0.000 0.495 221 V N 1.986 122.126 119.914 0.377 0.000 2.686 221 V HA 0.413 4.533 4.120 -0.000 0.000 0.306 221 V C -0.821 175.168 176.094 -0.175 0.000 1.065 221 V CA -0.920 61.449 62.300 0.116 0.000 0.894 221 V CB 2.157 34.002 31.823 0.036 0.000 1.004 221 V HN 0.795 nan 8.190 nan 0.000 0.424 222 S N 3.698 119.062 115.700 -0.560 0.000 2.489 222 S HA 0.551 5.021 4.470 -0.000 0.000 0.291 222 S C -0.348 174.063 174.600 -0.315 0.000 1.151 222 S CA -0.802 56.959 58.200 -0.731 0.000 1.082 222 S CB 1.279 63.623 63.200 -1.427 0.000 1.019 222 S HN 0.700 nan 8.310 nan 0.000 0.492 223 K N 1.784 122.069 120.400 -0.192 0.000 2.441 223 K HA -0.073 4.247 4.320 -0.000 0.000 0.273 223 K C -0.870 175.679 176.600 -0.086 0.000 1.090 223 K CA 0.406 56.636 56.287 -0.095 0.000 1.158 223 K CB -0.215 32.258 32.500 -0.045 0.000 0.847 223 K HN 0.616 nan 8.250 nan 0.000 0.483 224 D N 3.469 123.830 120.400 -0.064 0.000 2.390 224 D HA 0.103 4.743 4.640 -0.000 0.000 0.249 224 D C -0.265 176.010 176.300 -0.041 0.000 1.144 224 D CA 0.370 54.336 54.000 -0.056 0.000 0.880 224 D CB 0.717 41.493 40.800 -0.040 0.000 1.182 224 D HN 0.280 nan 8.370 nan 0.000 0.451 225 R N 2.881 123.349 120.500 -0.054 0.000 2.358 225 R HA 0.244 4.584 4.340 -0.000 0.000 0.309 225 R C -0.417 175.841 176.300 -0.070 0.000 1.026 225 R CA -0.874 55.202 56.100 -0.040 0.000 0.909 225 R CB 0.885 31.170 30.300 -0.026 0.000 1.153 225 R HN 0.353 nan 8.270 nan 0.000 0.515 226 M N 3.503 123.072 119.600 -0.052 0.000 2.252 226 M HA 0.085 4.565 4.480 -0.000 0.000 0.348 226 M C 0.424 176.673 176.300 -0.084 0.000 1.334 226 M CA 0.214 55.468 55.300 -0.076 0.000 1.071 226 M CB 0.212 32.791 32.600 -0.035 0.000 1.763 226 M HN 0.316 nan 8.290 nan 0.000 0.452 227 V N 0.484 120.328 119.914 -0.117 0.000 2.962 227 V HA 1.005 5.125 4.120 -0.000 0.000 0.313 227 V C -0.381 175.734 176.094 0.036 0.000 1.099 227 V CA -1.175 61.094 62.300 -0.052 0.000 0.971 227 V CB 1.635 33.427 31.823 -0.052 0.000 1.028 227 V HN 0.962 nan 8.190 nan 0.000 0.430 228 A N 2.497 125.356 122.820 0.066 0.000 2.279 228 A HA 0.814 5.133 4.320 -0.000 0.000 0.303 228 A C -0.348 177.426 177.584 0.317 0.000 1.108 228 A CA -0.108 51.977 52.037 0.080 0.000 0.830 228 A CB 0.574 19.559 19.000 -0.025 0.000 1.106 228 A HN 1.257 nan 8.150 nan 0.000 0.493 229 D N -0.587 119.961 120.400 0.246 0.000 2.217 229 D HA 0.334 4.974 4.640 -0.000 0.000 0.248 229 D C 0.518 176.798 176.300 -0.034 0.000 1.008 229 D CA -0.737 53.357 54.000 0.157 0.000 0.914 229 D CB 0.419 41.246 40.800 0.045 0.000 1.182 229 D HN 0.351 nan 8.370 nan 0.000 0.451 230 F N 0.738 120.327 119.950 -0.601 0.000 2.082 230 F HA -0.321 4.206 4.527 -0.000 0.000 0.298 230 F C 2.006 177.606 175.800 -0.333 0.000 1.091 230 F CA 1.908 59.418 58.000 -0.817 0.000 1.230 230 F CB 0.088 38.499 39.000 -0.982 0.000 0.983 230 F HN 0.331 nan 8.300 nan 0.000 0.485 231 E N -0.419 119.742 120.200 -0.066 0.000 2.038 231 E HA -0.290 4.060 4.350 -0.000 0.000 0.195 231 E C 2.072 178.605 176.600 -0.112 0.000 1.000 231 E CA 1.816 58.170 56.400 -0.076 0.000 0.803 231 E CB -1.116 28.578 29.700 -0.010 0.000 0.750 231 E HN 0.641 nan 8.360 nan 0.000 0.448 232 Y N 1.174 121.399 120.300 -0.124 0.000 2.081 232 Y HA -0.336 4.214 4.550 -0.000 0.000 0.280 232 Y C 2.345 178.168 175.900 -0.127 0.000 1.163 232 Y CA 2.146 60.193 58.100 -0.087 0.000 1.135 232 Y CB -0.419 38.031 38.460 -0.017 0.000 0.970 232 Y HN 0.075 nan 8.280 nan 0.000 0.498 233 A N -0.156 122.715 122.820 0.085 0.000 1.859 233 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 233 A C 2.225 179.701 177.584 -0.179 0.000 1.209 233 A CA 3.255 55.288 52.037 -0.006 0.000 0.639 233 A CB -1.748 17.240 19.000 -0.021 0.000 0.835 233 A HN 0.603 nan 8.150 nan 0.000 0.450 234 V N -2.253 117.409 119.914 -0.420 0.000 3.078 234 V HA -0.039 4.081 4.120 -0.000 0.000 0.265 234 V C 1.660 177.601 176.094 -0.255 0.000 1.122 234 V CA 2.052 64.109 62.300 -0.404 0.000 1.141 234 V CB -1.556 29.873 31.823 -0.655 0.000 0.735 234 V HN 0.837 nan 8.190 nan 0.000 0.498 235 T N -3.458 110.952 114.554 -0.240 0.000 3.252 235 T HA 0.511 4.861 4.350 -0.000 0.000 0.286 235 T C 1.362 175.921 174.700 -0.235 0.000 1.013 235 T CA 0.446 62.421 62.100 -0.209 0.000 0.914 235 T CB 0.005 68.752 68.868 -0.201 0.000 1.131 235 T HN 1.462 nan 8.240 nan 0.000 0.529 236 G N 0.984 109.656 108.800 -0.214 0.000 2.233 236 G HA2 0.046 4.006 3.960 -0.000 0.000 0.270 236 G HA3 0.046 4.006 3.960 -0.000 0.000 0.270 236 G C 1.124 175.756 174.900 -0.447 0.000 1.011 236 G CA 0.352 45.324 45.100 -0.214 0.000 0.762 236 G HN 1.951 nan 8.290 nan 0.000 0.511 237 G N -1.265 107.026 108.800 -0.849 0.000 2.176 237 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.252 237 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.252 237 G C 0.694 175.075 174.900 -0.864 0.000 1.024 237 G CA 1.160 45.091 45.100 -1.949 0.000 0.755 237 G HN 0.773 nan 8.290 nan 0.000 0.507 238 E N -0.983 118.943 120.200 -0.458 0.000 2.276 238 E HA 0.099 4.449 4.350 -0.000 0.000 0.193 238 E C 1.058 177.553 176.600 -0.175 0.000 0.983 238 E CA 0.623 56.877 56.400 -0.244 0.000 0.861 238 E CB 0.223 29.821 29.700 -0.171 0.000 0.817 238 E HN 0.631 nan 8.360 nan 0.000 0.485 239 Q N -0.674 119.013 119.800 -0.188 0.000 2.416 239 Q HA 0.571 4.911 4.340 -0.000 0.000 0.279 239 Q C -0.463 175.492 176.000 -0.076 0.000 1.101 239 Q CA -0.106 55.633 55.803 -0.107 0.000 0.830 239 Q CB 2.366 31.053 28.738 -0.086 0.000 1.402 239 Q HN 0.176 nan 8.270 nan 0.000 0.445 240 G N 0.478 109.275 108.800 -0.005 0.000 2.777 240 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.686 240 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.686 240 G C -0.488 174.526 174.900 0.189 0.000 1.177 240 G CA -0.353 44.786 45.100 0.064 0.000 0.775 240 G HN 0.920 nan 8.290 nan 0.000 0.613 241 S N 0.382 116.136 115.700 0.090 0.000 2.586 241 S HA 0.603 5.073 4.470 -0.000 0.000 0.274 241 S C 0.444 175.118 174.600 0.122 0.000 1.281 241 S CA -0.699 57.555 58.200 0.091 0.000 1.035 241 S CB 1.888 65.046 63.200 -0.071 0.000 0.962 241 S HN 1.579 nan 8.310 nan 0.000 0.512 242 L N 4.001 125.277 121.223 0.088 0.000 3.029 242 L HA 0.412 4.752 4.340 -0.000 0.000 0.231 242 L C -0.424 176.540 176.870 0.156 0.000 1.327 242 L CA -1.057 53.741 54.840 -0.070 0.000 1.166 242 L CB -1.435 40.445 42.059 -0.299 0.000 1.532 242 L HN 0.725 nan 8.230 nan 0.000 0.473 243 F N 0.199 120.123 119.950 -0.043 0.000 2.440 243 F HA 0.689 5.216 4.527 -0.000 0.000 0.323 243 F C 0.687 176.481 175.800 -0.010 0.000 1.192 243 F CA -1.575 56.418 58.000 -0.011 0.000 1.252 243 F CB -0.434 38.572 39.000 0.010 0.000 1.214 243 F HN 0.191 nan 8.300 nan 0.000 0.578 244 A N 1.306 124.020 122.820 -0.176 0.000 2.366 244 A HA 0.640 4.960 4.320 -0.000 0.000 0.249 244 A C 0.182 177.418 177.584 -0.581 0.000 1.084 244 A CA -0.126 51.737 52.037 -0.291 0.000 0.794 244 A CB -0.587 18.340 19.000 -0.122 0.000 1.034 244 A HN 1.435 nan 8.150 nan 0.000 0.491 245 A N 0.321 122.914 122.820 -0.379 0.000 2.252 245 A HA 0.612 4.932 4.320 -0.000 0.000 0.305 245 A C 0.522 178.004 177.584 -0.169 0.000 1.097 245 A CA 0.192 52.031 52.037 -0.330 0.000 0.849 245 A CB 0.516 19.397 19.000 -0.198 0.000 1.142 245 A HN 1.480 nan 8.150 nan 0.000 0.499 246 S N -0.193 115.448 115.700 -0.098 0.000 2.512 246 S HA 0.249 4.719 4.470 -0.000 0.000 0.291 246 S C 0.189 174.816 174.600 0.045 0.000 1.151 246 S CA -0.555 57.638 58.200 -0.013 0.000 1.120 246 S CB -0.383 62.824 63.200 0.012 0.000 1.029 246 S HN 0.535 nan 8.310 nan 0.000 0.485 247 K N 2.591 123.031 120.400 0.067 0.000 2.706 247 K HA 0.032 4.352 4.320 -0.000 0.000 0.217 247 K C -0.074 176.673 176.600 0.246 0.000 1.019 247 K CA -0.044 56.329 56.287 0.143 0.000 1.181 247 K CB -0.174 32.382 32.500 0.093 0.000 0.940 247 K HN 0.560 nan 8.250 nan 0.000 0.491 248 D N 0.083 120.583 120.400 0.167 0.000 2.390 248 D HA 0.069 4.709 4.640 -0.000 0.000 0.249 248 D C 0.593 176.936 176.300 0.072 0.000 1.144 248 D CA -0.088 53.996 54.000 0.140 0.000 0.880 248 D CB 1.283 42.137 40.800 0.089 0.000 1.182 248 D HN 0.174 nan 8.370 nan 0.000 0.451 249 A N 2.686 125.505 122.820 -0.001 0.000 2.220 249 A HA 0.043 4.363 4.320 -0.000 0.000 0.211 249 A C 1.959 179.482 177.584 -0.101 0.000 1.176 249 A CA 0.033 52.025 52.037 -0.075 0.000 0.834 249 A CB 0.078 18.997 19.000 -0.135 0.000 0.868 249 A HN 0.486 nan 8.150 nan 0.000 0.488 250 S N 0.095 115.754 115.700 -0.069 0.000 2.561 250 S HA -0.064 4.406 4.470 -0.000 0.000 0.225 250 S C 1.880 176.457 174.600 -0.039 0.000 0.977 250 S CA 0.889 59.052 58.200 -0.061 0.000 0.926 250 S CB -0.278 62.897 63.200 -0.041 0.000 0.769 250 S HN 0.805 nan 8.310 nan 0.000 0.533 251 R N 0.504 120.989 120.500 -0.025 0.000 2.323 251 R HA 0.200 4.540 4.340 -0.000 0.000 0.198 251 R C 1.546 177.838 176.300 -0.013 0.000 0.988 251 R CA 0.627 56.726 56.100 -0.001 0.000 1.041 251 R CB -0.300 30.018 30.300 0.029 0.000 0.926 251 R HN 0.326 nan 8.270 nan 0.000 0.476 252 L N 1.019 122.196 121.223 -0.076 0.000 2.200 252 L HA 0.045 4.385 4.340 -0.000 0.000 0.200 252 L C 1.792 178.626 176.870 -0.060 0.000 1.072 252 L CA 0.750 55.514 54.840 -0.127 0.000 0.787 252 L CB -0.217 41.642 42.059 -0.333 0.000 0.957 252 L HN 0.173 nan 8.230 nan 0.000 0.459 253 K N 0.488 120.844 120.400 -0.073 0.000 2.442 253 K HA -0.221 4.099 4.320 -0.000 0.000 0.199 253 K C 1.561 178.155 176.600 -0.010 0.000 1.044 253 K CA 1.515 57.774 56.287 -0.047 0.000 0.941 253 K CB -0.302 32.157 32.500 -0.067 0.000 0.759 253 K HN 0.426 nan 8.250 nan 0.000 0.472 254 E N 0.238 120.439 120.200 0.001 0.000 2.364 254 E HA -0.030 4.320 4.350 -0.000 0.000 0.203 254 E C 1.720 178.337 176.600 0.028 0.000 0.888 254 E CA -0.053 56.354 56.400 0.011 0.000 0.989 254 E CB 0.129 29.831 29.700 0.003 0.000 0.985 254 E HN 0.452 nan 8.360 nan 0.000 0.499 255 Q N -1.061 118.774 119.800 0.058 0.000 2.403 255 Q HA -0.000 4.340 4.340 -0.000 0.000 0.203 255 Q C 0.269 176.301 176.000 0.053 0.000 0.932 255 Q CA 0.547 56.392 55.803 0.070 0.000 0.945 255 Q CB 0.397 29.212 28.738 0.129 0.000 1.045 255 Q HN 0.301 nan 8.270 nan 0.000 0.511 256 Y N -2.719 117.594 120.300 0.022 0.000 2.856 256 Y HA 0.327 4.877 4.550 -0.000 0.000 0.252 256 Y C 0.511 176.433 175.900 0.037 0.000 1.145 256 Y CA 0.279 58.409 58.100 0.049 0.000 1.204 256 Y CB 1.536 40.044 38.460 0.079 0.000 1.403 256 Y HN -0.021 nan 8.280 nan 0.000 0.462 257 G N 0.766 109.672 108.800 0.175 0.000 3.003 257 G HA2 0.486 4.446 3.960 -0.000 0.000 0.293 257 G HA3 0.486 4.446 3.960 -0.000 0.000 0.293 257 G C -1.403 173.539 174.900 0.069 0.000 1.553 257 G CA -0.295 44.886 45.100 0.135 0.000 1.078 257 G HN -0.031 nan 8.290 nan 0.000 0.550 258 I N 1.358 121.959 120.570 0.051 0.000 2.618 258 I HA 0.043 4.213 4.170 -0.000 0.000 0.284 258 I C 0.524 176.603 176.117 -0.064 0.000 1.146 258 I CA -0.440 60.855 61.300 -0.008 0.000 1.425 258 I CB 0.996 38.982 38.000 -0.023 0.000 1.383 258 I HN 0.377 nan 8.210 nan 0.000 0.562 259 D N 5.342 125.700 120.400 -0.070 0.000 2.358 259 D HA 0.180 4.820 4.640 -0.000 0.000 0.258 259 D C -0.685 175.510 176.300 -0.175 0.000 1.223 259 D CA 0.181 54.116 54.000 -0.108 0.000 0.886 259 D CB 0.633 41.375 40.800 -0.097 0.000 1.120 259 D HN 0.275 nan 8.370 nan 0.000 0.482 260 V N 5.699 125.492 119.914 -0.201 0.000 2.357 260 V HA 0.528 4.647 4.120 -0.000 0.000 0.284 260 V C -2.392 173.493 176.094 -0.349 0.000 1.018 260 V CA -1.980 60.148 62.300 -0.287 0.000 0.841 260 V CB 1.394 33.080 31.823 -0.229 0.000 0.991 260 V HN 0.515 nan 8.190 nan 0.000 0.437 261 P HA 0.252 nan 4.420 nan 0.000 0.268 261 P C -0.919 176.149 177.300 -0.387 0.000 1.205 261 P CA 0.000 62.789 63.100 -0.518 0.000 0.771 261 P CB 0.335 31.517 31.700 -0.864 0.000 0.858 262 D N 0.586 120.817 120.400 -0.282 0.000 2.399 262 D HA 0.393 5.033 4.640 -0.000 0.000 0.241 262 D C 1.472 177.477 176.300 -0.492 0.000 1.133 262 D CA 1.235 55.052 54.000 -0.305 0.000 0.890 262 D CB 0.094 40.813 40.800 -0.134 0.000 1.201 262 D HN 0.636 nan 8.370 nan 0.000 0.432 263 G N 0.230 108.442 108.800 -0.981 0.000 2.195 263 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.224 263 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.224 263 G C -0.069 174.400 174.900 -0.719 0.000 0.990 263 G CA -0.561 43.608 45.100 -1.551 0.000 0.639 263 G HN 0.336 nan 8.290 nan 0.000 0.514 264 F N 0.112 119.552 119.950 -0.850 0.000 2.458 264 F HA 0.880 5.407 4.527 -0.000 0.000 0.330 264 F C 0.259 175.589 175.800 -0.783 0.000 1.082 264 F CA -1.430 56.220 58.000 -0.584 0.000 0.995 264 F CB 1.374 40.154 39.000 -0.367 0.000 1.170 264 F HN -0.025 nan 8.300 nan 0.000 0.478 265 F N -0.228 119.653 119.950 -0.115 0.000 2.643 265 F HA 0.483 5.010 4.527 -0.000 0.000 0.314 265 F C -0.404 175.398 175.800 0.002 0.000 1.096 265 F CA -0.971 56.964 58.000 -0.108 0.000 0.953 265 F CB 1.233 40.083 39.000 -0.249 0.000 1.345 265 F HN 0.271 nan 8.300 nan 0.000 0.468 266 C N 1.836 121.317 119.300 0.302 0.000 2.652 266 C HA 0.262 4.722 4.460 -0.000 0.000 0.412 266 C C 0.334 175.555 174.990 0.385 0.000 1.294 266 C CA -0.632 58.565 59.018 0.299 0.000 2.127 266 C CB -0.387 27.499 27.740 0.244 0.000 2.691 266 C HN 0.755 nan 8.230 nan 0.000 0.615 267 E N 3.409 123.831 120.200 0.370 0.000 2.318 267 E HA 0.247 4.597 4.350 -0.000 0.000 0.265 267 E C 0.007 176.696 176.600 0.148 0.000 1.069 267 E CA -0.682 55.904 56.400 0.311 0.000 0.893 267 E CB 0.638 30.398 29.700 0.098 0.000 1.076 267 E HN 0.621 nan 8.360 nan 0.000 0.414 268 R N 1.735 122.271 120.500 0.060 0.000 2.543 268 R HA 0.069 4.409 4.340 -0.000 0.000 0.277 268 R C -0.517 175.796 176.300 0.021 0.000 1.074 268 R CA -0.155 55.966 56.100 0.036 0.000 1.076 268 R CB 0.570 30.875 30.300 0.009 0.000 0.993 268 R HN 0.538 nan 8.270 nan 0.000 0.459 269 R N 4.415 124.935 120.500 0.033 0.000 2.346 269 R HA 0.114 4.454 4.340 -0.000 0.000 0.309 269 R C -0.149 176.206 176.300 0.092 0.000 1.119 269 R CA -0.536 55.594 56.100 0.051 0.000 1.112 269 R CB 0.480 30.788 30.300 0.014 0.000 1.132 269 R HN 0.633 nan 8.270 nan 0.000 0.538 270 R N 1.319 121.868 120.500 0.081 0.000 2.491 270 R HA 0.061 4.400 4.340 -0.000 0.000 0.283 270 R C -0.297 176.088 176.300 0.141 0.000 1.072 270 R CA 0.146 56.293 56.100 0.078 0.000 1.048 270 R CB 0.724 31.044 30.300 0.032 0.000 0.983 270 R HN 0.338 nan 8.270 nan 0.000 0.450 271 T N 1.646 116.261 114.554 0.100 0.000 2.767 271 T HA 0.675 5.025 4.350 -0.000 0.000 0.284 271 T C -0.363 174.292 174.700 -0.076 0.000 0.973 271 T CA -0.479 61.636 62.100 0.025 0.000 0.996 271 T CB 1.525 70.419 68.868 0.043 0.000 0.927 271 T HN 0.719 nan 8.240 nan 0.000 0.456 272 A N 4.742 127.484 122.820 -0.131 0.000 2.344 272 A HA 0.909 5.229 4.320 -0.000 0.000 0.307 272 A C -0.295 177.212 177.584 -0.128 0.000 1.151 272 A CA -1.217 50.752 52.037 -0.113 0.000 0.842 272 A CB 1.448 20.410 19.000 -0.063 0.000 1.350 272 A HN 0.891 nan 8.150 nan 0.000 0.459 273 M N 1.595 121.132 119.600 -0.105 0.000 2.106 273 M HA 0.352 4.832 4.480 -0.000 0.000 0.288 273 M C 0.171 176.555 176.300 0.141 0.000 0.941 273 M CA -0.353 54.927 55.300 -0.034 0.000 0.934 273 M CB 1.544 33.988 32.600 -0.260 0.000 1.551 273 M HN 0.840 nan 8.290 nan 0.000 0.437 274 G N 2.158 111.082 108.800 0.206 0.000 2.356 274 G HA2 0.461 4.421 3.960 -0.000 0.000 0.273 274 G HA3 0.461 4.421 3.960 -0.000 0.000 0.273 274 G C 0.346 175.381 174.900 0.226 0.000 1.213 274 G CA -0.294 44.911 45.100 0.176 0.000 0.955 274 G HN 0.847 nan 8.290 nan 0.000 0.454 275 G N 2.535 111.452 108.800 0.195 0.000 2.539 275 G HA2 0.496 4.456 3.960 -0.000 0.000 0.258 275 G HA3 0.496 4.456 3.960 -0.000 0.000 0.258 275 G C -2.532 172.278 174.900 -0.150 0.000 1.202 275 G CA -1.110 43.960 45.100 -0.050 0.000 0.851 275 G HN 0.437 nan 8.290 nan 0.000 0.556 276 P HA 0.079 nan 4.420 nan 0.000 0.273 276 P C 0.536 177.816 177.300 -0.034 0.000 1.319 276 P CA -0.542 62.465 63.100 -0.155 0.000 0.885 276 P CB 0.382 31.983 31.700 -0.166 0.000 1.015 277 F N 4.576 124.443 119.950 -0.137 0.000 2.106 277 F HA -0.362 4.165 4.527 -0.000 0.000 0.299 277 F C 2.122 177.896 175.800 -0.044 0.000 1.082 277 F CA 2.377 60.330 58.000 -0.078 0.000 1.244 277 F CB -0.802 38.158 39.000 -0.066 0.000 0.997 277 F HN 0.337 nan 8.300 nan 0.000 0.486 278 A N -0.777 122.017 122.820 -0.044 0.000 2.070 278 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 278 A C 2.051 179.558 177.584 -0.129 0.000 1.159 278 A CA 1.553 53.519 52.037 -0.118 0.000 0.656 278 A CB -0.907 18.090 19.000 -0.005 0.000 0.800 278 A HN 0.473 nan 8.150 nan 0.000 0.453 279 L N -0.324 120.838 121.223 -0.102 0.000 2.162 279 L HA 0.072 4.412 4.340 -0.000 0.000 0.205 279 L C 1.824 178.635 176.870 -0.099 0.000 1.086 279 L CA 1.646 56.436 54.840 -0.084 0.000 0.778 279 L CB -0.569 41.436 42.059 -0.089 0.000 0.928 279 L HN 0.450 nan 8.230 nan 0.000 0.446 280 N N -0.804 117.815 118.700 -0.136 0.000 2.216 280 N HA -0.139 4.601 4.740 -0.000 0.000 0.183 280 N C 1.833 177.257 175.510 -0.144 0.000 1.017 280 N CA 0.837 53.832 53.050 -0.092 0.000 0.861 280 N CB 0.089 38.562 38.487 -0.024 0.000 0.986 280 N HN 0.463 nan 8.380 nan 0.000 0.428 281 A N 2.148 124.733 122.820 -0.391 0.000 1.869 281 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 281 A C -0.398 177.097 177.584 -0.148 0.000 1.203 281 A CA 1.647 53.425 52.037 -0.433 0.000 0.638 281 A CB -1.701 16.918 19.000 -0.636 0.000 0.831 281 A HN 0.253 nan 8.150 nan 0.000 0.450 282 P HA -0.114 nan 4.420 nan 0.000 0.216 282 P C 1.371 179.043 177.300 0.621 0.000 1.150 282 P CA 1.003 64.260 63.100 0.262 0.000 0.837 282 P CB -0.132 31.850 31.700 0.470 0.000 0.786 283 I N -1.608 119.213 120.570 0.418 0.000 2.163 283 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 283 I C 2.428 178.807 176.117 0.437 0.000 1.081 283 I CA 1.590 63.212 61.300 0.535 0.000 1.353 283 I CB -0.683 37.513 38.000 0.326 0.000 1.054 283 I HN -0.123 nan 8.210 nan 0.000 0.407 284 M N 0.532 120.279 119.600 0.246 0.000 2.143 284 M HA -0.264 4.216 4.480 -0.000 0.000 0.258 284 M C 2.519 178.932 176.300 0.189 0.000 1.071 284 M CA 2.112 57.520 55.300 0.181 0.000 1.088 284 M CB -0.729 31.935 32.600 0.108 0.000 1.360 284 M HN 0.357 nan 8.290 nan 0.000 0.404 285 A N -0.354 122.598 122.820 0.220 0.000 1.978 285 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 285 A C 2.228 179.965 177.584 0.255 0.000 1.170 285 A CA 1.747 53.930 52.037 0.244 0.000 0.636 285 A CB -0.750 18.436 19.000 0.310 0.000 0.810 285 A HN 0.347 nan 8.150 nan 0.000 0.448 286 V N -1.101 119.004 119.914 0.317 0.000 2.878 286 V HA 0.005 4.125 4.120 -0.000 0.000 0.250 286 V C 2.821 178.977 176.094 0.103 0.000 1.075 286 V CA 1.268 63.660 62.300 0.154 0.000 1.096 286 V CB -0.394 31.472 31.823 0.072 0.000 0.724 286 V HN 0.595 nan 8.190 nan 0.000 0.467 287 A N -0.482 122.443 122.820 0.175 0.000 1.872 287 A HA -0.216 4.104 4.320 -0.000 0.000 0.214 287 A C 2.117 179.679 177.584 -0.036 0.000 1.187 287 A CA 1.550 53.632 52.037 0.076 0.000 0.614 287 A CB -0.416 18.680 19.000 0.161 0.000 0.826 287 A HN 0.537 nan 8.150 nan 0.000 0.442 288 Q N -0.357 119.448 119.800 0.008 0.000 2.045 288 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 288 Q C -0.474 175.471 176.000 -0.092 0.000 0.991 288 Q CA 2.242 58.025 55.803 -0.032 0.000 0.851 288 Q CB -1.239 27.511 28.738 0.019 0.000 0.911 288 Q HN 0.468 nan 8.270 nan 0.000 0.418 289 P HA -0.199 nan 4.420 nan 0.000 0.215 289 P C 1.414 178.612 177.300 -0.170 0.000 1.163 289 P CA 1.274 64.311 63.100 -0.105 0.000 0.894 289 P CB -0.086 31.562 31.700 -0.086 0.000 0.791 290 V N -0.441 119.328 119.914 -0.242 0.000 2.380 290 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 290 V C 2.570 178.473 176.094 -0.318 0.000 1.063 290 V CA 1.864 63.952 62.300 -0.354 0.000 1.055 290 V CB -0.958 30.492 31.823 -0.622 0.000 0.657 290 V HN 0.093 nan 8.190 nan 0.000 0.455 291 R N -0.003 120.292 120.500 -0.341 0.000 2.070 291 R HA -0.148 4.192 4.340 -0.000 0.000 0.233 291 R C 2.290 178.309 176.300 -0.469 0.000 1.137 291 R CA 1.774 57.540 56.100 -0.556 0.000 0.945 291 R CB -0.411 29.549 30.300 -0.567 0.000 0.845 291 R HN 0.531 nan 8.270 nan 0.000 0.430 292 N N 0.857 119.402 118.700 -0.258 0.000 2.192 292 N HA -0.214 4.526 4.740 -0.000 0.000 0.188 292 N C 1.474 176.920 175.510 -0.105 0.000 1.013 292 N CA 1.255 54.221 53.050 -0.141 0.000 0.863 292 N CB -0.157 38.269 38.487 -0.101 0.000 0.990 292 N HN 0.256 nan 8.380 nan 0.000 0.430 293 K N 1.217 121.547 120.400 -0.117 0.000 1.965 293 K HA -0.030 4.290 4.320 -0.000 0.000 0.214 293 K C 1.994 178.600 176.600 0.011 0.000 1.042 293 K CA 1.190 57.441 56.287 -0.060 0.000 0.950 293 K CB -0.257 32.216 32.500 -0.045 0.000 0.733 293 K HN 0.230 nan 8.250 nan 0.000 0.441 294 I N -1.260 119.340 120.570 0.049 0.000 2.850 294 I HA -0.175 3.995 4.170 -0.000 0.000 0.266 294 I C 1.171 177.516 176.117 0.379 0.000 1.257 294 I CA 1.066 62.519 61.300 0.255 0.000 1.465 294 I CB -0.255 37.785 38.000 0.068 0.000 1.091 294 I HN 0.160 nan 8.210 nan 0.000 0.467 295 Y N 1.417 121.715 120.300 -0.002 0.000 2.490 295 Y HA 0.073 4.623 4.550 -0.000 0.000 0.285 295 Y C 2.666 178.459 175.900 -0.179 0.000 1.117 295 Y CA 0.031 58.082 58.100 -0.082 0.000 1.262 295 Y CB -0.302 38.027 38.460 -0.219 0.000 1.043 295 Y HN 0.492 nan 8.280 nan 0.000 0.553 296 S N -1.039 114.673 115.700 0.019 0.000 2.826 296 S HA 0.039 4.509 4.470 -0.000 0.000 0.193 296 S C 1.964 176.520 174.600 -0.073 0.000 0.838 296 S CA 0.254 58.418 58.200 -0.060 0.000 0.844 296 S CB -0.202 62.949 63.200 -0.082 0.000 0.816 296 S HN 0.082 nan 8.310 nan 0.000 0.626 297 K N 0.646 120.956 120.400 -0.151 0.000 2.052 297 K HA -0.177 4.143 4.320 -0.000 0.000 0.215 297 K C 0.309 176.668 176.600 -0.402 0.000 1.053 297 K CA 1.921 57.996 56.287 -0.354 0.000 0.934 297 K CB -0.370 31.787 32.500 -0.571 0.000 0.717 297 K HN 0.575 nan 8.250 nan 0.000 0.450 298 Y N -0.527 119.840 120.300 0.111 0.000 2.781 298 Y HA 0.382 4.932 4.550 -0.000 0.000 0.326 298 Y C 1.006 176.919 175.900 0.020 0.000 1.019 298 Y CA -0.254 57.901 58.100 0.091 0.000 1.372 298 Y CB 0.171 38.745 38.460 0.190 0.000 1.260 298 Y HN 0.127 nan 8.280 nan 0.000 0.546 299 A N -0.661 122.227 122.820 0.114 0.000 2.070 299 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 299 A C 1.903 179.482 177.584 -0.009 0.000 1.159 299 A CA 1.358 53.438 52.037 0.071 0.000 0.656 299 A CB -0.782 18.251 19.000 0.055 0.000 0.800 299 A HN 0.706 nan 8.150 nan 0.000 0.453 300 Y N 1.660 121.904 120.300 -0.094 0.000 2.145 300 Y HA -0.263 4.287 4.550 -0.000 0.000 0.286 300 Y C 2.780 178.585 175.900 -0.158 0.000 1.145 300 Y CA 2.624 60.662 58.100 -0.104 0.000 1.148 300 Y CB -0.238 38.167 38.460 -0.091 0.000 0.981 300 Y HN 0.425 nan 8.280 nan 0.000 0.507 301 T N -2.786 111.559 114.554 -0.348 0.000 3.035 301 T HA -0.006 4.344 4.350 -0.000 0.000 0.259 301 T C 1.354 175.836 174.700 -0.362 0.000 1.078 301 T CA 0.873 62.666 62.100 -0.512 0.000 1.132 301 T CB -0.717 67.664 68.868 -0.812 0.000 0.900 301 T HN 0.386 nan 8.240 nan 0.000 0.480 302 F N 0.393 120.231 119.950 -0.188 0.000 2.704 302 F HA 0.332 4.859 4.527 -0.000 0.000 0.304 302 F C 1.216 176.738 175.800 -0.462 0.000 1.094 302 F CA -0.651 57.236 58.000 -0.188 0.000 1.275 302 F CB 0.536 39.525 39.000 -0.018 0.000 1.073 302 F HN 0.270 nan 8.300 nan 0.000 0.586 303 H N 1.214 119.864 119.070 -0.700 0.000 2.651 303 H HA 0.179 4.735 4.556 -0.000 0.000 0.252 303 H C -0.965 173.991 175.328 -0.619 0.000 1.365 303 H CA -0.399 55.205 56.048 -0.740 0.000 1.539 303 H CB 0.054 29.519 29.762 -0.495 0.000 1.621 303 H HN 0.160 nan 8.280 nan 0.000 0.526 304 H N 3.507 122.331 119.070 -0.410 0.000 2.594 304 H HA 0.123 4.679 4.556 -0.000 0.000 0.304 304 H C 0.832 175.942 175.328 -0.364 0.000 1.068 304 H CA -0.068 55.785 56.048 -0.325 0.000 1.308 304 H CB 1.705 31.348 29.762 -0.197 0.000 1.409 304 H HN 0.596 nan 8.280 nan 0.000 0.460 305 T N 0.452 114.875 114.554 -0.217 0.000 3.535 305 T HA 0.033 4.383 4.350 -0.000 0.000 0.223 305 T C 0.960 175.628 174.700 -0.055 0.000 0.933 305 T CA 0.303 62.331 62.100 -0.120 0.000 1.445 305 T CB -0.412 68.355 68.868 -0.167 0.000 1.286 305 T HN 0.542 nan 8.240 nan 0.000 0.436 306 T N 0.007 114.510 114.554 -0.085 0.000 2.902 306 T HA 0.495 4.845 4.350 -0.000 0.000 0.280 306 T C 0.996 175.636 174.700 -0.099 0.000 0.992 306 T CA -0.975 61.074 62.100 -0.084 0.000 1.015 306 T CB 1.735 70.558 68.868 -0.075 0.000 1.044 306 T HN 0.246 nan 8.240 nan 0.000 0.520 307 R N -0.238 120.202 120.500 -0.100 0.000 2.120 307 R HA -0.030 4.310 4.340 -0.000 0.000 0.234 307 R C 1.864 178.156 176.300 -0.014 0.000 1.123 307 R CA 0.760 56.809 56.100 -0.085 0.000 0.975 307 R CB -0.478 29.796 30.300 -0.042 0.000 0.866 307 R HN 0.430 nan 8.270 nan 0.000 0.446 308 L N 1.227 122.437 121.223 -0.022 0.000 2.291 308 L HA -0.122 4.218 4.340 -0.000 0.000 0.214 308 L C 2.003 178.865 176.870 -0.013 0.000 1.120 308 L CA 1.318 56.153 54.840 -0.009 0.000 0.799 308 L CB -1.445 40.603 42.059 -0.017 0.000 0.925 308 L HN 0.306 nan 8.230 nan 0.000 0.446 309 N N 0.508 119.189 118.700 -0.033 0.000 2.457 309 N HA -0.130 4.610 4.740 -0.000 0.000 0.180 309 N C 1.584 177.069 175.510 -0.042 0.000 1.050 309 N CA 0.673 53.703 53.050 -0.034 0.000 0.906 309 N CB 0.492 38.949 38.487 -0.050 0.000 0.968 309 N HN 0.392 nan 8.380 nan 0.000 0.445 310 K N 0.653 121.021 120.400 -0.054 0.000 2.054 310 K HA 0.050 4.370 4.320 -0.000 0.000 0.207 310 K C 1.765 178.374 176.600 0.014 0.000 1.031 310 K CA 0.542 56.787 56.287 -0.069 0.000 0.952 310 K CB -0.112 32.233 32.500 -0.259 0.000 0.775 310 K HN 0.093 nan 8.250 nan 0.000 0.447 311 E N 1.153 121.445 120.200 0.152 0.000 2.149 311 E HA -0.353 3.997 4.350 -0.000 0.000 0.215 311 E C 1.963 178.537 176.600 -0.043 0.000 1.055 311 E CA 1.936 58.366 56.400 0.050 0.000 0.870 311 E CB -0.153 29.569 29.700 0.036 0.000 0.764 311 E HN 0.273 nan 8.360 nan 0.000 0.463 312 E N 0.838 121.028 120.200 -0.017 0.000 2.172 312 E HA -0.286 4.064 4.350 -0.000 0.000 0.213 312 E C 1.686 178.281 176.600 -0.009 0.000 1.051 312 E CA 2.400 58.797 56.400 -0.005 0.000 0.860 312 E CB 0.037 29.745 29.700 0.014 0.000 0.755 312 E HN 0.161 nan 8.360 nan 0.000 0.462 313 K N -1.021 119.338 120.400 -0.068 0.000 2.262 313 K HA 0.072 4.392 4.320 -0.000 0.000 0.200 313 K C 1.985 178.336 176.600 -0.416 0.000 1.049 313 K CA 0.740 56.991 56.287 -0.059 0.000 0.979 313 K CB 0.323 32.678 32.500 -0.241 0.000 0.773 313 K HN 0.001 nan 8.250 nan 0.000 0.474 314 V N 1.600 121.152 119.914 -0.603 0.000 2.788 314 V HA -0.127 3.993 4.120 -0.000 0.000 0.251 314 V C 1.902 177.791 176.094 -0.342 0.000 1.068 314 V CA 1.333 63.072 62.300 -0.936 0.000 1.090 314 V CB -0.182 31.254 31.823 -0.645 0.000 0.710 314 V HN 0.223 nan 8.190 nan 0.000 0.467 315 K N 0.283 120.593 120.400 -0.150 0.000 2.113 315 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 315 K C 1.820 178.473 176.600 0.088 0.000 1.047 315 K CA 1.899 58.175 56.287 -0.019 0.000 0.928 315 K CB -0.043 32.451 32.500 -0.011 0.000 0.716 315 K HN 0.549 nan 8.250 nan 0.000 0.446 316 E N -1.005 119.289 120.200 0.157 0.000 2.481 316 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 316 E C -0.399 176.424 176.600 0.372 0.000 1.047 316 E CA 0.209 56.748 56.400 0.232 0.000 0.867 316 E CB -0.039 29.792 29.700 0.219 0.000 0.858 316 E HN 0.177 nan 8.360 nan 0.000 0.513 317 W N 0.816 122.164 121.300 0.080 0.000 2.303 317 W HA 0.204 4.864 4.660 -0.000 0.000 0.318 317 W C 1.334 177.916 176.519 0.105 0.000 1.362 317 W CA -0.759 56.645 57.345 0.099 0.000 1.234 317 W CB 0.855 30.367 29.460 0.087 0.000 1.248 317 W HN -0.115 nan 8.180 nan 0.000 0.546 318 S N 1.973 117.850 115.700 0.295 0.000 2.540 318 S HA 0.226 4.696 4.470 -0.000 0.000 0.218 318 S C -0.591 174.134 174.600 0.209 0.000 0.977 318 S CA -0.082 58.251 58.200 0.220 0.000 0.918 318 S CB -0.221 63.088 63.200 0.182 0.000 0.806 318 S HN 0.291 nan 8.310 nan 0.000 0.496 319 L N 0.670 122.035 121.223 0.236 0.000 2.565 319 L HA 0.576 4.916 4.340 -0.000 0.000 0.261 319 L C -1.815 175.251 176.870 0.326 0.000 0.932 319 L CA -0.463 54.474 54.840 0.162 0.000 0.878 319 L CB 1.319 43.303 42.059 -0.125 0.000 1.333 319 L HN 0.037 nan 8.230 nan 0.000 0.409 320 C N 5.522 125.033 119.300 0.352 0.000 2.432 320 C HA 0.888 5.348 4.460 -0.000 0.000 0.334 320 C C -1.236 174.013 174.990 0.431 0.000 1.155 320 C CA -0.321 58.988 59.018 0.485 0.000 1.335 320 C CB 0.615 28.674 27.740 0.531 0.000 1.964 320 C HN 0.661 nan 8.230 nan 0.000 0.444 321 V N 5.648 125.817 119.914 0.424 0.000 2.407 321 V HA 0.699 4.819 4.120 -0.000 0.000 0.291 321 V C 0.586 176.849 176.094 0.281 0.000 1.018 321 V CA -0.416 62.145 62.300 0.434 0.000 0.842 321 V CB 1.311 33.440 31.823 0.510 0.000 0.996 321 V HN 1.113 nan 8.190 nan 0.000 0.426 322 A N 3.943 126.916 122.820 0.256 0.000 2.350 322 A HA 0.656 4.976 4.320 -0.000 0.000 0.293 322 A C 0.630 178.270 177.584 0.094 0.000 1.231 322 A CA -0.012 52.101 52.037 0.127 0.000 0.883 322 A CB -0.158 18.901 19.000 0.098 0.000 1.133 322 A HN 1.020 nan 8.150 nan 0.000 0.533 323 T N 0.031 114.606 114.554 0.036 0.000 2.912 323 T HA 0.724 5.074 4.350 -0.000 0.000 0.288 323 T C -0.880 173.896 174.700 0.128 0.000 1.030 323 T CA -0.628 61.512 62.100 0.068 0.000 1.020 323 T CB 1.909 70.785 68.868 0.014 0.000 1.056 323 T HN 0.549 nan 8.240 nan 0.000 0.480 324 D N -0.235 120.287 120.400 0.203 0.000 2.583 324 D HA 0.601 5.241 4.640 -0.000 0.000 0.248 324 D C -1.637 174.806 176.300 0.238 0.000 1.209 324 D CA -0.562 53.576 54.000 0.229 0.000 0.848 324 D CB 2.359 43.239 40.800 0.134 0.000 1.431 324 D HN 0.540 nan 8.370 nan 0.000 0.436 325 V N 1.593 121.638 119.914 0.219 0.000 2.531 325 V HA 0.653 4.773 4.120 -0.000 0.000 0.301 325 V C -0.067 176.129 176.094 0.171 0.000 1.034 325 V CA -0.057 62.349 62.300 0.178 0.000 0.865 325 V CB 1.369 33.329 31.823 0.228 0.000 0.995 325 V HN 0.772 nan 8.190 nan 0.000 0.424 326 S N 3.938 119.724 115.700 0.144 0.000 2.669 326 S HA -0.093 4.377 4.470 -0.000 0.000 0.257 326 S C 0.253 174.953 174.600 0.168 0.000 1.483 326 S CA 0.464 58.726 58.200 0.104 0.000 0.832 326 S CB -1.098 62.120 63.200 0.030 0.000 1.116 326 S HN 1.187 nan 8.310 nan 0.000 0.790 327 D N -0.052 120.475 120.400 0.210 0.000 2.988 327 D HA -0.194 4.446 4.640 -0.000 0.000 0.221 327 D C 0.403 176.924 176.300 0.368 0.000 1.122 327 D CA 1.469 55.630 54.000 0.268 0.000 0.821 327 D CB -1.382 39.596 40.800 0.297 0.000 1.098 327 D HN 0.913 nan 8.370 nan 0.000 0.433 328 H N 0.760 119.964 119.070 0.224 0.000 1.528 328 H HA -0.294 4.262 4.556 -0.000 0.000 0.096 328 H C 1.512 176.998 175.328 0.263 0.000 0.982 328 H CA 3.343 59.529 56.048 0.229 0.000 1.890 328 H CB -0.489 29.360 29.762 0.145 0.000 2.252 328 H HN 0.298 nan 8.280 nan 0.000 0.966 329 D N -2.003 118.401 120.400 0.007 0.000 2.347 329 D HA -0.347 4.293 4.640 -0.000 0.000 0.587 329 D C 2.020 178.299 176.300 -0.036 0.000 0.695 329 D CA 3.508 57.493 54.000 -0.025 0.000 1.643 329 D CB -1.588 39.229 40.800 0.029 0.000 0.231 329 D HN 0.766 nan 8.370 nan 0.000 0.328 330 T N -2.644 111.893 114.554 -0.029 0.000 3.052 330 T HA -0.111 4.239 4.350 -0.000 0.000 0.270 330 T C 1.855 176.419 174.700 -0.225 0.000 1.147 330 T CA 1.268 63.286 62.100 -0.137 0.000 1.089 330 T CB -0.542 68.204 68.868 -0.203 0.000 0.875 330 T HN 0.312 nan 8.240 nan 0.000 0.541 331 F N -1.332 118.603 119.950 -0.025 0.000 2.653 331 F HA 0.407 4.934 4.527 -0.000 0.000 0.288 331 F C 0.843 176.604 175.800 -0.063 0.000 1.121 331 F CA -1.759 56.227 58.000 -0.024 0.000 1.384 331 F CB 0.103 39.096 39.000 -0.011 0.000 1.115 331 F HN 0.141 nan 8.300 nan 0.000 0.599 332 W N 4.627 125.824 121.300 -0.171 0.000 2.480 332 W HA -0.015 4.645 4.660 -0.000 0.000 0.337 332 W C -2.534 173.811 176.519 -0.290 0.000 1.201 332 W CA -0.947 56.223 57.345 -0.290 0.000 1.309 332 W CB 0.062 29.322 29.460 -0.333 0.000 1.168 332 W HN -0.191 nan 8.180 nan 0.000 0.566 333 P HA 0.170 nan 4.420 nan 0.000 0.292 333 P C 0.679 177.368 177.300 -1.018 0.000 1.326 333 P CA -0.041 62.398 63.100 -1.101 0.000 0.787 333 P CB 1.184 31.570 31.700 -2.190 0.000 0.903 334 G N 3.194 111.756 108.800 -0.397 0.000 2.499 334 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.221 334 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.221 334 G C 1.047 175.838 174.900 -0.181 0.000 1.109 334 G CA 0.051 45.053 45.100 -0.163 0.000 0.749 334 G HN 0.663 nan 8.290 nan 0.000 0.568 335 W N -0.197 120.973 121.300 -0.217 0.000 2.467 335 W HA 0.156 4.816 4.660 -0.000 0.000 0.275 335 W C 1.652 177.994 176.519 -0.294 0.000 1.239 335 W CA 0.165 57.385 57.345 -0.208 0.000 1.266 335 W CB -0.838 28.514 29.460 -0.179 0.000 1.112 335 W HN 0.147 nan 8.180 nan 0.000 0.576 336 L N 2.316 123.069 121.223 -0.782 0.000 2.027 336 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 336 L C 3.165 179.849 176.870 -0.310 0.000 1.074 336 L CA 2.373 56.758 54.840 -0.759 0.000 0.745 336 L CB -0.983 40.218 42.059 -1.429 0.000 0.898 336 L HN -0.053 nan 8.230 nan 0.000 0.433 337 R N -0.482 119.868 120.500 -0.249 0.000 2.103 337 R HA -0.221 4.119 4.340 -0.000 0.000 0.242 337 R C 1.776 178.130 176.300 0.091 0.000 1.142 337 R CA 2.179 58.362 56.100 0.138 0.000 0.960 337 R CB -0.666 29.777 30.300 0.239 0.000 0.858 337 R HN 0.420 nan 8.270 nan 0.000 0.439 338 D N 0.913 121.338 120.400 0.043 0.000 2.117 338 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 338 D C 1.964 178.296 176.300 0.054 0.000 0.987 338 D CA 1.152 55.188 54.000 0.061 0.000 0.829 338 D CB -0.251 40.592 40.800 0.071 0.000 0.961 338 D HN 0.304 nan 8.370 nan 0.000 0.460 339 L N 0.533 121.785 121.223 0.049 0.000 1.976 339 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 339 L C 2.351 179.236 176.870 0.024 0.000 1.071 339 L CA 1.127 55.993 54.840 0.043 0.000 0.746 339 L CB -0.282 41.808 42.059 0.052 0.000 0.890 339 L HN -0.083 nan 8.230 nan 0.000 0.432 340 I N -0.403 120.180 120.570 0.022 0.000 2.185 340 I HA -0.445 3.725 4.170 -0.000 0.000 0.246 340 I C 2.623 178.690 176.117 -0.083 0.000 1.088 340 I CA 1.661 62.949 61.300 -0.020 0.000 1.347 340 I CB -0.556 37.472 38.000 0.048 0.000 1.041 340 I HN 0.499 nan 8.210 nan 0.000 0.415 341 C N 0.180 119.483 119.300 0.004 0.000 2.473 341 C HA -0.193 4.267 4.460 -0.000 0.000 0.279 341 C C 2.633 177.609 174.990 -0.024 0.000 1.250 341 C CA 1.155 60.171 59.018 -0.003 0.000 1.713 341 C CB -1.035 26.748 27.740 0.072 0.000 2.066 341 C HN 0.574 nan 8.230 nan 0.000 0.474 342 D N 0.587 120.990 120.400 0.005 0.000 2.157 342 D HA -0.236 4.404 4.640 -0.000 0.000 0.191 342 D C 2.026 178.322 176.300 -0.007 0.000 1.004 342 D CA 2.145 56.150 54.000 0.008 0.000 0.854 342 D CB -0.182 40.630 40.800 0.020 0.000 0.936 342 D HN 0.500 nan 8.370 nan 0.000 0.446 343 E N -0.170 120.017 120.200 -0.021 0.000 2.072 343 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 343 E C 2.241 178.803 176.600 -0.063 0.000 0.985 343 E CA 0.875 57.260 56.400 -0.025 0.000 0.801 343 E CB -0.483 29.210 29.700 -0.012 0.000 0.750 343 E HN 0.439 nan 8.360 nan 0.000 0.452 344 L N 0.081 121.206 121.223 -0.162 0.000 2.013 344 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 344 L C 2.595 179.433 176.870 -0.054 0.000 1.073 344 L CA 1.300 55.986 54.840 -0.255 0.000 0.753 344 L CB -0.549 41.227 42.059 -0.473 0.000 0.890 344 L HN 0.245 nan 8.230 nan 0.000 0.432 345 L N -0.585 120.624 121.223 -0.023 0.000 1.994 345 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 345 L C 2.435 179.324 176.870 0.032 0.000 1.071 345 L CA 1.233 56.087 54.840 0.023 0.000 0.745 345 L CB -0.725 41.347 42.059 0.020 0.000 0.892 345 L HN 0.358 nan 8.230 nan 0.000 0.431 346 N N 0.156 118.870 118.700 0.022 0.000 2.091 346 N HA -0.230 4.510 4.740 -0.000 0.000 0.193 346 N C 1.792 177.327 175.510 0.041 0.000 1.021 346 N CA 1.606 54.673 53.050 0.027 0.000 0.862 346 N CB -0.359 38.142 38.487 0.022 0.000 1.018 346 N HN 0.350 nan 8.380 nan 0.000 0.429 347 M N -1.145 118.489 119.600 0.058 0.000 2.358 347 M HA -0.008 4.472 4.480 -0.000 0.000 0.264 347 M C 1.154 177.509 176.300 0.093 0.000 1.064 347 M CA 1.310 56.666 55.300 0.093 0.000 1.093 347 M CB 0.031 32.719 32.600 0.147 0.000 1.401 347 M HN 0.393 nan 8.290 nan 0.000 0.440 348 G N -1.230 107.620 108.800 0.084 0.000 2.205 348 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.180 348 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.180 348 G C -0.183 174.710 174.900 -0.012 0.000 1.004 348 G CA -0.754 44.359 45.100 0.023 0.000 0.670 348 G HN 0.384 nan 8.290 nan 0.000 0.496 349 Y N 1.569 121.796 120.300 -0.123 0.000 2.578 349 Y HA 0.392 4.942 4.550 -0.000 0.000 0.339 349 Y C 1.351 177.115 175.900 -0.227 0.000 1.231 349 Y CA 0.464 58.445 58.100 -0.197 0.000 1.461 349 Y CB 0.831 39.184 38.460 -0.178 0.000 1.323 349 Y HN 0.455 nan 8.280 nan 0.000 0.590 350 A N 6.215 128.866 122.820 -0.281 0.000 2.524 350 A HA 0.113 4.433 4.320 -0.000 0.000 0.250 350 A C -1.762 175.596 177.584 -0.376 0.000 1.078 350 A CA -1.138 50.605 52.037 -0.491 0.000 0.761 350 A CB -0.092 18.226 19.000 -1.136 0.000 1.012 350 A HN 0.630 nan 8.150 nan 0.000 0.500 351 P HA -0.138 nan 4.420 nan 0.000 0.219 351 P C 1.551 178.872 177.300 0.035 0.000 1.150 351 P CA 1.393 64.477 63.100 -0.027 0.000 0.814 351 P CB -0.100 31.623 31.700 0.039 0.000 0.787 352 W N -1.739 119.632 121.300 0.118 0.000 2.363 352 W HA -0.111 4.549 4.660 -0.000 0.000 0.296 352 W C 1.809 178.413 176.519 0.140 0.000 1.212 352 W CA 0.211 57.612 57.345 0.093 0.000 1.260 352 W CB -1.831 27.672 29.460 0.071 0.000 1.131 352 W HN 0.018 nan 8.180 nan 0.000 0.530 353 W N 2.291 123.424 121.300 -0.278 0.000 2.388 353 W HA -0.123 4.537 4.660 -0.000 0.000 0.294 353 W C 2.372 178.903 176.519 0.020 0.000 1.212 353 W CA 2.710 59.977 57.345 -0.131 0.000 1.271 353 W CB -0.512 28.611 29.460 -0.562 0.000 1.126 353 W HN -0.278 nan 8.180 nan 0.000 0.535 354 V N 0.905 120.905 119.914 0.143 0.000 2.427 354 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 354 V C 2.200 178.294 176.094 0.001 0.000 1.051 354 V CA 2.084 64.427 62.300 0.070 0.000 1.048 354 V CB -0.991 30.891 31.823 0.099 0.000 0.666 354 V HN 0.001 nan 8.190 nan 0.000 0.456 355 K N 0.457 120.875 120.400 0.030 0.000 2.209 355 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 355 K C 1.783 178.380 176.600 -0.005 0.000 1.048 355 K CA 1.426 57.735 56.287 0.037 0.000 0.940 355 K CB -0.422 32.114 32.500 0.059 0.000 0.729 355 K HN 0.457 nan 8.250 nan 0.000 0.451 356 L N -1.083 120.089 121.223 -0.084 0.000 2.049 356 L HA -0.030 4.310 4.340 -0.000 0.000 0.203 356 L C 2.128 178.872 176.870 -0.209 0.000 1.074 356 L CA 1.072 55.830 54.840 -0.137 0.000 0.749 356 L CB -0.612 41.325 42.059 -0.205 0.000 0.907 356 L HN 0.083 nan 8.230 nan 0.000 0.439 357 F N 1.171 120.782 119.950 -0.566 0.000 2.120 357 F HA -0.287 4.240 4.527 -0.000 0.000 0.300 357 F C 2.628 178.301 175.800 -0.212 0.000 1.095 357 F CA 2.080 59.777 58.000 -0.504 0.000 1.249 357 F CB -0.175 38.362 39.000 -0.771 0.000 0.995 357 F HN 0.149 nan 8.300 nan 0.000 0.480 358 E N -0.743 119.416 120.200 -0.068 0.000 2.077 358 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 358 E C 1.991 178.556 176.600 -0.059 0.000 0.989 358 E CA 1.835 58.214 56.400 -0.035 0.000 0.800 358 E CB -0.229 29.504 29.700 0.054 0.000 0.746 358 E HN 0.407 nan 8.360 nan 0.000 0.452 359 T N 0.411 114.957 114.554 -0.014 0.000 2.821 359 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 359 T C 2.019 176.707 174.700 -0.020 0.000 1.046 359 T CA 1.458 63.588 62.100 0.050 0.000 1.139 359 T CB -0.353 68.619 68.868 0.173 0.000 0.871 359 T HN 0.316 nan 8.240 nan 0.000 0.454 360 S N 1.333 116.969 115.700 -0.106 0.000 2.465 360 S HA 0.005 4.475 4.470 -0.000 0.000 0.241 360 S C 1.636 176.216 174.600 -0.033 0.000 1.000 360 S CA 0.805 58.953 58.200 -0.088 0.000 0.964 360 S CB -0.613 62.478 63.200 -0.181 0.000 0.763 360 S HN 0.503 nan 8.310 nan 0.000 0.512 361 L N -0.468 120.671 121.223 -0.139 0.000 2.693 361 L HA 0.374 4.714 4.340 -0.000 0.000 0.235 361 L C 1.656 178.508 176.870 -0.030 0.000 1.127 361 L CA 0.068 54.834 54.840 -0.124 0.000 0.914 361 L CB 0.111 42.052 42.059 -0.196 0.000 1.193 361 L HN 0.208 nan 8.230 nan 0.000 0.502 362 K N -0.264 120.135 120.400 -0.002 0.000 2.438 362 K HA 0.230 4.550 4.320 -0.000 0.000 0.206 362 K C 0.043 176.649 176.600 0.010 0.000 1.081 362 K CA -0.497 55.792 56.287 0.003 0.000 1.053 362 K CB 1.118 33.614 32.500 -0.007 0.000 0.908 362 K HN 0.007 nan 8.250 nan 0.000 0.556 363 L N 3.421 124.679 121.223 0.059 0.000 2.525 363 L HA 0.056 4.396 4.340 -0.000 0.000 0.278 363 L C -2.286 174.647 176.870 0.105 0.000 1.218 363 L CA -1.358 53.519 54.840 0.062 0.000 0.878 363 L CB 0.062 42.160 42.059 0.065 0.000 1.127 363 L HN -0.079 nan 8.230 nan 0.000 0.492 364 P HA 0.137 nan 4.420 nan 0.000 0.272 364 P C -1.344 176.038 177.300 0.136 0.000 1.243 364 P CA -0.049 63.091 63.100 0.065 0.000 0.803 364 P CB 0.476 32.186 31.700 0.018 0.000 0.974 365 V N -1.470 118.529 119.914 0.142 0.000 3.049 365 V HA 0.572 4.692 4.120 -0.000 0.000 0.309 365 V C -1.926 174.281 176.094 0.187 0.000 1.148 365 V CA -0.962 61.442 62.300 0.172 0.000 0.990 365 V CB 2.017 33.910 31.823 0.116 0.000 1.039 365 V HN 0.400 nan 8.190 nan 0.000 0.430 366 Y N 3.917 124.244 120.300 0.045 0.000 2.356 366 Y HA 0.742 5.292 4.550 -0.000 0.000 0.334 366 Y C -0.458 175.371 175.900 -0.119 0.000 0.958 366 Y CA -0.705 57.410 58.100 0.025 0.000 1.196 366 Y CB 1.562 40.053 38.460 0.051 0.000 1.137 366 Y HN 0.689 nan 8.280 nan 0.000 0.485 367 V N 6.718 126.412 119.914 -0.366 0.000 2.406 367 V HA 0.326 4.446 4.120 -0.000 0.000 0.272 367 V C 0.821 176.596 176.094 -0.532 0.000 1.043 367 V CA 0.510 62.543 62.300 -0.445 0.000 0.915 367 V CB 1.023 32.447 31.823 -0.665 0.000 0.988 367 V HN 1.054 nan 8.190 nan 0.000 0.466 368 G N 3.166 111.764 108.800 -0.337 0.000 2.850 368 G HA2 0.493 4.453 3.960 -0.000 0.000 0.211 368 G HA3 0.493 4.453 3.960 -0.000 0.000 0.211 368 G C 0.474 175.327 174.900 -0.077 0.000 1.124 368 G CA 0.617 45.577 45.100 -0.233 0.000 0.769 368 G HN 1.174 nan 8.290 nan 0.000 0.535 369 A N 0.071 122.918 122.820 0.046 0.000 1.959 369 A HA 0.508 4.828 4.320 -0.000 0.000 0.239 369 A C -2.438 175.282 177.584 0.226 0.000 1.707 369 A CA -0.323 51.837 52.037 0.204 0.000 1.784 369 A CB 0.111 19.273 19.000 0.271 0.000 0.844 369 A HN 0.006 nan 8.150 nan 0.000 0.888 370 P HA 0.428 nan 4.420 nan 0.000 0.251 370 P C 0.388 177.613 177.300 -0.126 0.000 1.223 370 P CA 1.262 64.325 63.100 -0.063 0.000 0.796 370 P CB 0.631 32.172 31.700 -0.264 0.000 1.068 371 A N -1.295 121.448 122.820 -0.128 0.000 2.597 371 A HA 0.589 4.909 4.320 -0.000 0.000 0.292 371 A C -3.198 174.174 177.584 -0.353 0.000 1.057 371 A CA -1.530 50.245 52.037 -0.437 0.000 0.674 371 A CB 0.204 19.116 19.000 -0.147 0.000 1.278 371 A HN -0.303 nan 8.150 nan 0.000 0.416 372 P HA 0.209 nan 4.420 nan 0.000 0.265 372 P C -0.816 176.489 177.300 0.009 0.000 1.193 372 P CA 0.834 63.869 63.100 -0.109 0.000 0.765 372 P CB 0.195 31.839 31.700 -0.093 0.000 0.823 373 E N 1.760 122.010 120.200 0.084 0.000 2.446 373 E HA -0.286 4.064 4.350 -0.000 0.000 0.162 373 E C -0.391 176.258 176.600 0.081 0.000 1.797 373 E CA 1.040 57.481 56.400 0.068 0.000 0.619 373 E CB -1.692 28.029 29.700 0.035 0.000 1.050 373 E HN 0.596 nan 8.360 nan 0.000 0.321 374 Q N -0.784 119.100 119.800 0.140 0.000 3.038 374 Q HA 0.396 4.736 4.340 -0.000 0.000 0.198 374 Q C -0.241 175.934 176.000 0.291 0.000 0.992 374 Q CA 0.268 56.199 55.803 0.213 0.000 1.158 374 Q CB 0.736 29.602 28.738 0.213 0.000 1.893 374 Q HN 0.848 nan 8.270 nan 0.000 0.561 375 G N 1.638 110.666 108.800 0.381 0.000 2.217 375 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.173 375 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.173 375 G C -1.016 174.060 174.900 0.293 0.000 1.324 375 G CA -0.221 45.048 45.100 0.281 0.000 1.225 375 G HN 0.858 nan 8.290 nan 0.000 0.494 376 H N 0.577 119.625 119.070 -0.037 0.000 2.415 376 H HA -0.119 4.437 4.556 -0.000 0.000 0.323 376 H C -0.374 174.889 175.328 -0.109 0.000 1.035 376 H CA 1.416 57.426 56.048 -0.063 0.000 1.098 376 H CB -1.908 27.907 29.762 0.089 0.000 1.575 376 H HN 0.671 nan 8.280 nan 0.000 0.387 377 T N 1.546 115.945 114.554 -0.257 0.000 2.952 377 T HA 0.362 4.712 4.350 -0.000 0.000 0.305 377 T C -0.274 174.393 174.700 -0.055 0.000 1.064 377 T CA -0.847 61.267 62.100 0.024 0.000 1.008 377 T CB 2.296 71.373 68.868 0.347 0.000 1.078 377 T HN 0.224 nan 8.240 nan 0.000 0.459 378 L N 4.281 125.639 121.223 0.225 0.000 2.262 378 L HA 0.575 4.915 4.340 -0.000 0.000 0.288 378 L C -1.068 176.053 176.870 0.418 0.000 1.035 378 L CA -0.463 54.575 54.840 0.330 0.000 0.820 378 L CB 0.155 42.457 42.059 0.405 0.000 1.204 378 L HN 0.587 nan 8.230 nan 0.000 0.424 379 L N 6.386 127.781 121.223 0.287 0.000 2.265 379 L HA 0.742 5.082 4.340 -0.000 0.000 0.288 379 L C 0.704 177.695 176.870 0.202 0.000 1.058 379 L CA -0.223 54.753 54.840 0.227 0.000 0.809 379 L CB 0.630 42.783 42.059 0.157 0.000 1.179 379 L HN 0.927 nan 8.230 nan 0.000 0.429 380 G N 2.665 111.600 108.800 0.225 0.000 2.712 380 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 380 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 380 G C -1.212 173.817 174.900 0.215 0.000 1.181 380 G CA -0.857 44.343 45.100 0.166 0.000 0.762 380 G HN 0.728 nan 8.290 nan 0.000 0.641 381 D N 2.143 122.612 120.400 0.115 0.000 2.412 381 D HA 0.613 5.253 4.640 -0.000 0.000 0.224 381 D C -0.712 175.513 176.300 -0.124 0.000 1.093 381 D CA -2.324 51.692 54.000 0.026 0.000 0.850 381 D CB 1.540 42.403 40.800 0.104 0.000 1.046 381 D HN 0.052 nan 8.370 nan 0.000 0.507 382 P HA -0.101 nan 4.420 nan 0.000 0.221 382 P C 0.961 178.133 177.300 -0.214 0.000 1.145 382 P CA 0.721 63.680 63.100 -0.236 0.000 0.795 382 P CB 0.266 31.775 31.700 -0.318 0.000 0.775 383 S N -1.534 114.072 115.700 -0.157 0.000 2.469 383 S HA -0.089 4.381 4.470 -0.000 0.000 0.238 383 S C 0.913 175.424 174.600 -0.148 0.000 0.998 383 S CA 0.682 58.835 58.200 -0.077 0.000 0.957 383 S CB -0.694 62.486 63.200 -0.033 0.000 0.764 383 S HN 0.297 nan 8.310 nan 0.000 0.514 384 N N 0.770 119.292 118.700 -0.296 0.000 3.111 384 N HA 0.145 4.885 4.740 -0.000 0.000 0.200 384 N C -3.414 171.843 175.510 -0.420 0.000 1.464 384 N CA -0.801 51.995 53.050 -0.422 0.000 0.758 384 N CB 1.065 39.453 38.487 -0.166 0.000 1.548 384 N HN -0.031 nan 8.380 nan 0.000 0.595 385 P HA 0.109 nan 4.420 nan 0.000 0.267 385 P C -0.513 176.654 177.300 -0.221 0.000 1.209 385 P CA 0.449 63.333 63.100 -0.361 0.000 0.763 385 P CB 0.536 32.000 31.700 -0.393 0.000 0.816 386 D N 1.706 122.037 120.400 -0.114 0.000 2.755 386 D HA 0.052 4.692 4.640 -0.000 0.000 0.293 386 D C -0.349 175.933 176.300 -0.030 0.000 1.642 386 D CA -0.094 53.868 54.000 -0.063 0.000 0.825 386 D CB -0.734 40.031 40.800 -0.057 0.000 1.303 386 D HN -0.009 nan 8.370 nan 0.000 0.434 387 L N 0.987 122.197 121.223 -0.022 0.000 2.452 387 L HA 0.351 4.690 4.340 -0.000 0.000 0.267 387 L C 0.971 177.839 176.870 -0.003 0.000 1.188 387 L CA 0.624 55.460 54.840 -0.007 0.000 0.821 387 L CB 0.584 42.647 42.059 0.007 0.000 1.102 387 L HN 0.041 nan 8.230 nan 0.000 0.470 388 E N 1.572 121.770 120.200 -0.003 0.000 4.052 388 E HA 0.092 4.442 4.350 -0.000 0.000 0.219 388 E C 0.844 177.441 176.600 -0.004 0.000 1.166 388 E CA 0.036 56.438 56.400 0.003 0.000 1.338 388 E CB 0.830 30.534 29.700 0.006 0.000 1.212 388 E HN 0.518 nan 8.360 nan 0.000 0.432 389 V N -1.658 118.247 119.914 -0.016 0.000 3.141 389 V HA 0.186 4.306 4.120 -0.000 0.000 0.265 389 V C 1.013 177.085 176.094 -0.036 0.000 1.126 389 V CA 1.418 63.696 62.300 -0.036 0.000 1.141 389 V CB -0.542 31.244 31.823 -0.061 0.000 0.743 389 V HN 0.484 nan 8.190 nan 0.000 0.492 390 G N 0.254 109.061 108.800 0.011 0.000 2.545 390 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.240 390 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.240 390 G C -0.388 174.503 174.900 -0.015 0.000 1.172 390 G CA -0.033 45.130 45.100 0.106 0.000 0.949 390 G HN 0.599 nan 8.290 nan 0.000 0.574 391 L N 1.990 123.117 121.223 -0.160 0.000 2.283 391 L HA 0.516 4.856 4.340 -0.000 0.000 0.287 391 L C 0.249 176.901 176.870 -0.364 0.000 1.073 391 L CA -0.206 54.339 54.840 -0.492 0.000 0.822 391 L CB 0.860 42.551 42.059 -0.614 0.000 1.186 391 L HN 0.494 nan 8.230 nan 0.000 0.436 392 S N 2.393 117.827 115.700 -0.443 0.000 2.411 392 S HA 0.028 4.498 4.470 -0.000 0.000 0.304 392 S C 1.269 175.597 174.600 -0.452 0.000 1.098 392 S CA 0.000 57.871 58.200 -0.549 0.000 1.068 392 S CB 1.197 63.777 63.200 -1.032 0.000 1.032 392 S HN 0.893 nan 8.310 nan 0.000 0.511 393 S N 4.249 119.766 115.700 -0.306 0.000 2.412 393 S HA -0.239 4.231 4.470 -0.000 0.000 0.246 393 S C 1.965 176.477 174.600 -0.147 0.000 1.073 393 S CA 1.793 59.873 58.200 -0.201 0.000 1.186 393 S CB -1.251 61.861 63.200 -0.146 0.000 1.084 393 S HN 0.790 nan 8.310 nan 0.000 0.434 394 G N 1.871 110.612 108.800 -0.098 0.000 2.807 394 G HA2 0.015 3.975 3.960 -0.000 0.000 0.207 394 G HA3 0.015 3.975 3.960 -0.000 0.000 0.207 394 G C 0.502 175.463 174.900 0.100 0.000 1.151 394 G CA 0.023 45.138 45.100 0.024 0.000 0.800 394 G HN 0.665 nan 8.290 nan 0.000 0.523 395 Q N 0.608 120.435 119.800 0.046 0.000 2.332 395 Q HA 0.172 4.512 4.340 -0.000 0.000 0.263 395 Q C 1.719 177.756 176.000 0.061 0.000 0.979 395 Q CA 0.354 56.207 55.803 0.084 0.000 0.885 395 Q CB 1.160 29.883 28.738 -0.024 0.000 1.218 395 Q HN 0.137 nan 8.270 nan 0.000 0.405 396 G N 3.524 112.386 108.800 0.103 0.000 2.649 396 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.220 396 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.220 396 G C 0.762 175.751 174.900 0.148 0.000 1.189 396 G CA 0.985 46.168 45.100 0.139 0.000 0.777 396 G HN 0.727 nan 8.290 nan 0.000 0.602 397 A N -0.360 122.580 122.820 0.201 0.000 2.503 397 A HA 0.474 4.794 4.320 -0.000 0.000 0.263 397 A C 1.841 179.485 177.584 0.100 0.000 1.360 397 A CA 1.247 53.419 52.037 0.226 0.000 0.969 397 A CB -0.573 18.717 19.000 0.483 0.000 1.000 397 A HN 0.313 nan 8.150 nan 0.000 0.530 398 T N 0.826 115.390 114.554 0.016 0.000 2.708 398 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 398 T C 1.786 176.445 174.700 -0.068 0.000 1.037 398 T CA 2.057 64.108 62.100 -0.082 0.000 1.146 398 T CB -0.337 68.470 68.868 -0.102 0.000 0.865 398 T HN 0.794 nan 8.240 nan 0.000 0.435 399 D N 1.057 121.445 120.400 -0.021 0.000 2.149 399 D HA -0.071 4.569 4.640 -0.000 0.000 0.201 399 D C 2.260 178.560 176.300 0.000 0.000 0.972 399 D CA 0.772 54.766 54.000 -0.009 0.000 0.835 399 D CB -0.873 39.954 40.800 0.044 0.000 0.966 399 D HN 0.428 nan 8.370 nan 0.000 0.476 400 L N -0.374 120.859 121.223 0.016 0.000 2.042 400 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 400 L C 2.723 179.671 176.870 0.131 0.000 1.076 400 L CA 0.961 55.823 54.840 0.036 0.000 0.749 400 L CB -0.471 41.634 42.059 0.076 0.000 0.893 400 L HN -0.023 nan 8.230 nan 0.000 0.432 401 M N -0.376 119.304 119.600 0.133 0.000 2.159 401 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 401 M C 2.416 178.910 176.300 0.322 0.000 1.063 401 M CA 1.735 57.156 55.300 0.201 0.000 1.110 401 M CB -1.886 30.584 32.600 -0.217 0.000 1.374 401 M HN 0.303 nan 8.290 nan 0.000 0.411 402 G N -0.205 108.692 108.800 0.162 0.000 2.421 402 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 402 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 402 G C 1.624 176.657 174.900 0.221 0.000 1.171 402 G CA 1.575 46.811 45.100 0.227 0.000 0.775 402 G HN 0.400 nan 8.290 nan 0.000 0.543 403 T N 0.912 115.540 114.554 0.123 0.000 2.770 403 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 403 T C 2.218 177.033 174.700 0.191 0.000 1.039 403 T CA 1.119 63.266 62.100 0.079 0.000 1.142 403 T CB -0.235 68.522 68.868 -0.185 0.000 0.868 403 T HN 0.140 nan 8.240 nan 0.000 0.435 404 L N 1.557 122.924 121.223 0.240 0.000 2.083 404 L HA 0.050 4.390 4.340 -0.000 0.000 0.209 404 L C 2.069 179.193 176.870 0.423 0.000 1.083 404 L CA 1.559 56.621 54.840 0.370 0.000 0.752 404 L CB -1.172 41.117 42.059 0.382 0.000 0.899 404 L HN 0.242 nan 8.230 nan 0.000 0.433 405 L N -0.968 120.495 121.223 0.400 0.000 1.988 405 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 405 L C 2.213 179.266 176.870 0.304 0.000 1.071 405 L CA 1.894 56.914 54.840 0.300 0.000 0.744 405 L CB -0.522 41.694 42.059 0.262 0.000 0.893 405 L HN 0.204 nan 8.230 nan 0.000 0.433 406 M N -1.045 118.718 119.600 0.273 0.000 2.447 406 M HA -0.017 4.463 4.480 -0.000 0.000 0.264 406 M C 2.457 178.851 176.300 0.157 0.000 1.095 406 M CA 1.186 56.546 55.300 0.100 0.000 1.125 406 M CB -1.141 31.514 32.600 0.091 0.000 1.389 406 M HN 0.492 nan 8.290 nan 0.000 0.459 407 S N 1.139 117.060 115.700 0.368 0.000 2.343 407 S HA -0.075 4.395 4.470 -0.000 0.000 0.219 407 S C 1.880 176.780 174.600 0.499 0.000 1.033 407 S CA 0.957 59.495 58.200 0.564 0.000 1.014 407 S CB 0.055 63.706 63.200 0.753 0.000 0.915 407 S HN 0.296 nan 8.310 nan 0.000 0.435 408 I N 1.801 122.590 120.570 0.364 0.000 2.208 408 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 408 I C 2.482 178.631 176.117 0.054 0.000 1.097 408 I CA 1.589 62.938 61.300 0.082 0.000 1.363 408 I CB -2.290 35.519 38.000 -0.318 0.000 1.051 408 I HN 0.360 nan 8.210 nan 0.000 0.413 409 T N 0.843 115.471 114.554 0.124 0.000 2.635 409 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 409 T C 1.925 176.734 174.700 0.181 0.000 1.040 409 T CA 1.704 63.908 62.100 0.173 0.000 1.156 409 T CB -0.564 68.362 68.868 0.097 0.000 0.863 409 T HN 0.142 nan 8.240 nan 0.000 0.430 410 Y N 1.160 121.612 120.300 0.254 0.000 2.128 410 Y HA -0.058 4.492 4.550 -0.000 0.000 0.284 410 Y C 2.324 178.329 175.900 0.175 0.000 1.154 410 Y CA 0.086 58.322 58.100 0.227 0.000 1.149 410 Y CB -1.282 37.324 38.460 0.243 0.000 0.976 410 Y HN 0.101 nan 8.280 nan 0.000 0.505 411 L N -0.563 120.844 121.223 0.307 0.000 2.043 411 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 411 L C 2.210 179.069 176.870 -0.019 0.000 1.075 411 L CA 1.460 56.302 54.840 0.004 0.000 0.752 411 L CB -0.944 40.985 42.059 -0.216 0.000 0.891 411 L HN 0.054 nan 8.230 nan 0.000 0.432 412 V N -0.630 119.313 119.914 0.049 0.000 2.270 412 V HA -0.340 3.780 4.120 -0.000 0.000 0.245 412 V C 2.600 178.764 176.094 0.117 0.000 1.043 412 V CA 2.071 64.405 62.300 0.057 0.000 1.014 412 V CB -0.433 31.467 31.823 0.128 0.000 0.645 412 V HN 0.599 nan 8.190 nan 0.000 0.447 413 M N -0.516 119.217 119.600 0.222 0.000 2.103 413 M HA -0.372 4.108 4.480 -0.000 0.000 0.255 413 M C 2.326 178.817 176.300 0.318 0.000 1.074 413 M CA 2.222 57.714 55.300 0.319 0.000 1.090 413 M CB -0.249 32.596 32.600 0.409 0.000 1.325 413 M HN 0.402 nan 8.290 nan 0.000 0.403 414 Q N -0.172 119.787 119.800 0.265 0.000 2.020 414 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 414 Q C 2.078 178.201 176.000 0.205 0.000 0.982 414 Q CA 1.950 57.924 55.803 0.284 0.000 0.838 414 Q CB -0.370 28.433 28.738 0.108 0.000 0.899 414 Q HN 0.578 nan 8.270 nan 0.000 0.423 415 L N 0.792 122.054 121.223 0.065 0.000 1.955 415 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 415 L C 2.021 178.892 176.870 0.001 0.000 1.072 415 L CA 1.279 56.116 54.840 -0.006 0.000 0.755 415 L CB -0.824 41.174 42.059 -0.102 0.000 0.888 415 L HN 0.145 nan 8.230 nan 0.000 0.432 416 D N -0.679 119.691 120.400 -0.050 0.000 2.191 416 D HA -0.234 4.406 4.640 -0.000 0.000 0.190 416 D C 2.037 178.194 176.300 -0.238 0.000 1.007 416 D CA 1.687 55.572 54.000 -0.193 0.000 0.865 416 D CB -0.176 40.440 40.800 -0.306 0.000 0.929 416 D HN 0.427 nan 8.370 nan 0.000 0.447 417 H N -2.614 116.518 119.070 0.103 0.000 2.827 417 H HA 0.243 4.799 4.556 -0.000 0.000 0.269 417 H C 1.313 176.705 175.328 0.106 0.000 1.031 417 H CA 1.336 57.441 56.048 0.095 0.000 1.202 417 H CB 0.999 30.820 29.762 0.097 0.000 1.511 417 H HN 0.301 nan 8.280 nan 0.000 0.517 418 T N -3.781 110.930 114.554 0.262 0.000 3.191 418 T HA 0.413 4.763 4.350 -0.000 0.000 0.285 418 T C 0.782 175.668 174.700 0.311 0.000 0.887 418 T CA 0.284 62.544 62.100 0.267 0.000 0.881 418 T CB 0.139 69.235 68.868 0.380 0.000 1.217 418 T HN 0.132 nan 8.240 nan 0.000 0.591 419 A N 1.743 124.698 122.820 0.225 0.000 3.045 419 A HA 0.671 4.991 4.320 -0.000 0.000 0.244 419 A C -2.016 175.536 177.584 -0.052 0.000 0.917 419 A CA -0.837 51.269 52.037 0.116 0.000 1.075 419 A CB 0.414 19.412 19.000 -0.004 0.000 1.202 419 A HN 0.221 nan 8.150 nan 0.000 0.486 420 P HA -0.252 nan 4.420 nan 0.000 0.216 420 P C 1.479 178.780 177.300 0.002 0.000 1.153 420 P CA 1.964 65.087 63.100 0.039 0.000 0.858 420 P CB -0.189 31.562 31.700 0.085 0.000 0.789 421 H N 0.062 119.128 119.070 -0.006 0.000 2.319 421 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 421 H C 1.832 177.139 175.328 -0.035 0.000 1.097 421 H CA 1.244 57.285 56.048 -0.011 0.000 1.285 421 H CB -1.722 28.047 29.762 0.012 0.000 1.368 421 H HN 0.137 nan 8.280 nan 0.000 0.495 422 L N 0.984 121.925 121.223 -0.470 0.000 2.351 422 L HA -0.184 4.156 4.340 -0.000 0.000 0.220 422 L C 2.119 178.791 176.870 -0.330 0.000 1.127 422 L CA 0.881 55.517 54.840 -0.341 0.000 0.786 422 L CB -0.700 41.143 42.059 -0.360 0.000 0.914 422 L HN 0.205 nan 8.230 nan 0.000 0.443 423 N N 0.108 118.650 118.700 -0.264 0.000 2.258 423 N HA -0.174 4.566 4.740 -0.000 0.000 0.187 423 N C 2.061 177.455 175.510 -0.194 0.000 1.012 423 N CA 1.714 54.621 53.050 -0.239 0.000 0.870 423 N CB -0.263 38.133 38.487 -0.151 0.000 0.977 423 N HN 0.507 nan 8.380 nan 0.000 0.434 424 S N 0.061 115.679 115.700 -0.136 0.000 2.447 424 S HA 0.031 4.501 4.470 -0.000 0.000 0.233 424 S C 1.665 176.203 174.600 -0.103 0.000 1.006 424 S CA 0.442 58.587 58.200 -0.091 0.000 0.957 424 S CB 0.003 63.177 63.200 -0.043 0.000 0.773 424 S HN 0.257 nan 8.310 nan 0.000 0.507 425 R N 0.447 120.855 120.500 -0.154 0.000 2.246 425 R HA 0.305 4.645 4.340 -0.000 0.000 0.199 425 R C 0.055 176.266 176.300 -0.149 0.000 0.984 425 R CA 0.388 56.417 56.100 -0.119 0.000 1.015 425 R CB -0.154 30.103 30.300 -0.071 0.000 0.930 425 R HN 0.477 nan 8.270 nan 0.000 0.475 426 I N 1.748 122.173 120.570 -0.243 0.000 2.325 426 I HA 0.087 4.257 4.170 -0.000 0.000 0.285 426 I C 0.876 176.915 176.117 -0.131 0.000 1.128 426 I CA 0.043 61.214 61.300 -0.216 0.000 1.261 426 I CB 0.754 38.547 38.000 -0.346 0.000 1.529 426 I HN -0.130 nan 8.210 nan 0.000 0.557 427 K N 2.154 122.506 120.400 -0.081 0.000 2.211 427 K HA 0.075 4.395 4.320 -0.000 0.000 0.201 427 K C 0.262 176.837 176.600 -0.042 0.000 1.052 427 K CA 0.569 56.823 56.287 -0.056 0.000 0.973 427 K CB 0.148 32.625 32.500 -0.037 0.000 0.766 427 K HN 0.628 nan 8.250 nan 0.000 0.466 428 D N -2.069 118.310 120.400 -0.034 0.000 2.992 428 D HA 0.008 4.648 4.640 -0.000 0.000 0.349 428 D C 0.757 177.050 176.300 -0.012 0.000 1.393 428 D CA -0.591 53.397 54.000 -0.020 0.000 0.887 428 D CB 0.127 40.921 40.800 -0.011 0.000 1.447 428 D HN -0.339 nan 8.370 nan 0.000 0.524 429 M N -0.293 119.307 119.600 -0.001 0.000 2.163 429 M HA -0.040 4.440 4.480 -0.000 0.000 0.258 429 M C -0.880 175.427 176.300 0.013 0.000 1.071 429 M CA 2.265 57.570 55.300 0.007 0.000 1.093 429 M CB -2.633 29.976 32.600 0.016 0.000 1.285 429 M HN 0.386 nan 8.290 nan 0.000 0.420 430 P HA -0.053 nan 4.420 nan 0.000 0.218 430 P C 1.423 178.740 177.300 0.027 0.000 1.148 430 P CA 1.473 64.588 63.100 0.025 0.000 0.822 430 P CB -0.205 31.509 31.700 0.023 0.000 0.784 431 S N -0.035 115.675 115.700 0.017 0.000 2.368 431 S HA -0.102 4.368 4.470 -0.000 0.000 0.224 431 S C 2.126 176.748 174.600 0.037 0.000 1.029 431 S CA 1.256 59.468 58.200 0.020 0.000 0.988 431 S CB -1.267 61.929 63.200 -0.008 0.000 0.838 431 S HN 0.150 nan 8.310 nan 0.000 0.462 432 A N 1.276 124.103 122.820 0.011 0.000 1.855 432 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 432 A C 2.469 180.073 177.584 0.034 0.000 1.191 432 A CA 1.513 53.560 52.037 0.017 0.000 0.613 432 A CB -1.504 17.479 19.000 -0.028 0.000 0.829 432 A HN 0.605 nan 8.150 nan 0.000 0.442 433 C N -1.082 118.223 119.300 0.008 0.000 2.385 433 C HA -0.164 4.296 4.460 -0.000 0.000 0.275 433 C C 2.790 177.787 174.990 0.012 0.000 1.207 433 C CA 1.402 60.416 59.018 -0.006 0.000 1.760 433 C CB -1.412 26.345 27.740 0.029 0.000 2.051 433 C HN 0.702 nan 8.230 nan 0.000 0.467 434 R N -0.147 120.384 120.500 0.052 0.000 2.097 434 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 434 R C 2.203 178.545 176.300 0.070 0.000 1.135 434 R CA 2.351 58.492 56.100 0.069 0.000 0.934 434 R CB -0.721 29.627 30.300 0.079 0.000 0.846 434 R HN 0.553 nan 8.270 nan 0.000 0.431 435 F N 1.044 120.966 119.950 -0.046 0.000 2.161 435 F HA -0.236 4.291 4.527 -0.000 0.000 0.300 435 F C 1.914 177.661 175.800 -0.088 0.000 1.089 435 F CA 1.472 59.437 58.000 -0.059 0.000 1.282 435 F CB -0.340 38.603 39.000 -0.094 0.000 1.010 435 F HN 0.135 nan 8.300 nan 0.000 0.485 436 L N 0.914 122.032 121.223 -0.176 0.000 2.027 436 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 436 L C 2.077 178.677 176.870 -0.449 0.000 1.074 436 L CA 2.425 57.002 54.840 -0.439 0.000 0.745 436 L CB -1.287 40.457 42.059 -0.524 0.000 0.898 436 L HN 0.310 nan 8.230 nan 0.000 0.433 437 D N -1.434 118.825 120.400 -0.235 0.000 2.133 437 D HA -0.299 4.341 4.640 -0.000 0.000 0.192 437 D C 2.313 178.617 176.300 0.007 0.000 1.001 437 D CA 1.761 55.775 54.000 0.022 0.000 0.844 437 D CB -0.189 40.713 40.800 0.169 0.000 0.944 437 D HN 0.425 nan 8.370 nan 0.000 0.447 438 S N -1.720 113.925 115.700 -0.092 0.000 2.359 438 S HA -0.295 4.175 4.470 -0.000 0.000 0.223 438 S C 1.971 176.456 174.600 -0.190 0.000 1.039 438 S CA 1.541 59.669 58.200 -0.119 0.000 1.042 438 S CB -0.976 62.157 63.200 -0.113 0.000 0.915 438 S HN 0.575 nan 8.310 nan 0.000 0.439 439 Y N 0.362 120.362 120.300 -0.500 0.000 2.030 439 Y HA -0.214 4.336 4.550 -0.000 0.000 0.274 439 Y C 2.001 177.840 175.900 -0.102 0.000 1.153 439 Y CA 2.252 60.105 58.100 -0.412 0.000 1.115 439 Y CB -0.467 37.634 38.460 -0.599 0.000 0.969 439 Y HN 0.384 nan 8.280 nan 0.000 0.488 440 W N 0.973 122.091 121.300 -0.303 0.000 2.538 440 W HA -0.096 4.564 4.660 -0.000 0.000 0.254 440 W C 2.079 178.489 176.519 -0.182 0.000 1.249 440 W CA 0.915 58.032 57.345 -0.380 0.000 1.253 440 W CB -0.669 28.532 29.460 -0.431 0.000 1.130 440 W HN 0.401 nan 8.180 nan 0.000 0.618 441 Q N -1.547 118.247 119.800 -0.009 0.000 2.373 441 Q HA 0.176 4.516 4.340 -0.000 0.000 0.210 441 Q C 1.715 177.447 176.000 -0.447 0.000 0.913 441 Q CA 1.037 56.724 55.803 -0.192 0.000 0.911 441 Q CB 0.386 28.842 28.738 -0.471 0.000 1.040 441 Q HN 0.247 nan 8.270 nan 0.000 0.521 442 G N 0.177 108.677 108.800 -0.500 0.000 2.205 442 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.180 442 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.180 442 G C -0.171 174.589 174.900 -0.233 0.000 1.004 442 G CA -0.412 44.204 45.100 -0.806 0.000 0.670 442 G HN 0.481 nan 8.290 nan 0.000 0.496 443 H N 1.353 120.286 119.070 -0.229 0.000 2.768 443 H HA 0.486 5.042 4.556 -0.000 0.000 0.228 443 H C -0.173 175.093 175.328 -0.102 0.000 1.812 443 H CA -0.089 55.877 56.048 -0.136 0.000 1.273 443 H CB 0.288 29.996 29.762 -0.090 0.000 1.631 443 H HN 0.166 nan 8.280 nan 0.000 0.526 444 E N 0.672 120.883 120.200 0.018 0.000 2.390 444 E HA -0.008 4.342 4.350 -0.000 0.000 0.280 444 E C 0.388 177.001 176.600 0.021 0.000 0.992 444 E CA -0.498 55.922 56.400 0.034 0.000 0.790 444 E CB 1.235 30.969 29.700 0.056 0.000 1.248 444 E HN 0.625 nan 8.360 nan 0.000 0.447 445 E N 0.827 121.060 120.200 0.054 0.000 2.472 445 E HA -0.018 4.332 4.350 -0.000 0.000 0.200 445 E C 0.890 177.459 176.600 -0.052 0.000 1.046 445 E CA 0.690 57.119 56.400 0.049 0.000 0.871 445 E CB -0.342 29.437 29.700 0.131 0.000 0.806 445 E HN 0.331 nan 8.360 nan 0.000 0.533 446 I N -0.321 120.196 120.570 -0.087 0.000 2.418 446 I HA 0.517 4.687 4.170 -0.000 0.000 0.287 446 I C -0.436 175.574 176.117 -0.179 0.000 1.008 446 I CA -1.259 59.870 61.300 -0.285 0.000 1.104 446 I CB 1.449 39.330 38.000 -0.199 0.000 1.264 446 I HN -0.180 nan 8.210 nan 0.000 0.438 447 R N 5.141 125.375 120.500 -0.443 0.000 2.803 447 R HA 0.556 4.896 4.340 -0.000 0.000 0.276 447 R C -1.045 175.049 176.300 -0.344 0.000 0.978 447 R CA -0.720 55.226 56.100 -0.256 0.000 0.939 447 R CB 2.554 32.917 30.300 0.105 0.000 1.179 447 R HN 0.883 nan 8.270 nan 0.000 0.472 448 Q N 1.716 121.429 119.800 -0.144 0.000 2.433 448 Q HA 0.698 5.038 4.340 -0.000 0.000 0.279 448 Q C -0.953 175.073 176.000 0.044 0.000 1.105 448 Q CA -0.956 54.822 55.803 -0.043 0.000 0.815 448 Q CB 2.170 30.931 28.738 0.039 0.000 1.403 448 Q HN 0.671 nan 8.270 nan 0.000 0.435 449 I N -0.006 120.570 120.570 0.009 0.000 2.447 449 I HA 0.674 4.844 4.170 -0.000 0.000 0.287 449 I C -0.974 175.095 176.117 -0.081 0.000 1.023 449 I CA -0.719 60.517 61.300 -0.106 0.000 1.083 449 I CB 2.010 39.759 38.000 -0.420 0.000 1.245 449 I HN 0.718 nan 8.210 nan 0.000 0.434 450 S N 4.066 119.952 115.700 0.310 0.000 2.548 450 S HA 0.672 5.141 4.470 -0.000 0.000 0.276 450 S C -0.960 173.993 174.600 0.588 0.000 1.129 450 S CA -0.850 57.619 58.200 0.450 0.000 0.931 450 S CB 2.210 65.677 63.200 0.445 0.000 1.068 450 S HN 0.657 nan 8.310 nan 0.000 0.480 451 K N 2.246 122.920 120.400 0.457 0.000 2.449 451 K HA 0.678 4.998 4.320 -0.000 0.000 0.257 451 K C 0.570 177.278 176.600 0.180 0.000 0.989 451 K CA 0.435 56.890 56.287 0.280 0.000 0.916 451 K CB 0.522 33.100 32.500 0.130 0.000 1.136 451 K HN 1.044 nan 8.250 nan 0.000 0.439 452 S N 3.052 118.829 115.700 0.129 0.000 4.114 452 S HA -0.312 4.158 4.470 -0.000 0.000 0.618 452 S C 0.885 175.549 174.600 0.106 0.000 1.937 452 S CA 1.994 60.225 58.200 0.051 0.000 4.228 452 S CB -1.505 61.663 63.200 -0.054 0.000 0.216 452 S HN 0.914 nan 8.310 nan 0.000 0.528 453 D N 1.665 122.057 120.400 -0.013 0.000 2.349 453 D HA 0.212 4.852 4.640 -0.000 0.000 0.215 453 D C 0.124 176.587 176.300 0.273 0.000 1.016 453 D CA 0.702 54.757 54.000 0.090 0.000 0.870 453 D CB -0.769 39.953 40.800 -0.130 0.000 0.917 453 D HN 0.510 nan 8.370 nan 0.000 0.524 454 D N 0.032 120.563 120.400 0.219 0.000 2.304 454 D HA 0.601 5.241 4.640 -0.000 0.000 0.250 454 D C -0.445 176.057 176.300 0.338 0.000 1.107 454 D CA 0.144 54.299 54.000 0.258 0.000 0.885 454 D CB 1.429 42.341 40.800 0.186 0.000 1.192 454 D HN 0.307 nan 8.370 nan 0.000 0.436 455 A N 2.213 125.158 122.820 0.208 0.000 2.610 455 A HA 0.680 5.000 4.320 -0.000 0.000 0.291 455 A C -1.449 176.026 177.584 -0.180 0.000 1.086 455 A CA -0.759 51.263 52.037 -0.025 0.000 0.677 455 A CB 1.300 20.186 19.000 -0.190 0.000 1.278 455 A HN 0.507 nan 8.150 nan 0.000 0.414 456 M N 1.741 121.135 119.600 -0.343 0.000 2.142 456 M HA 0.416 4.896 4.480 -0.000 0.000 0.299 456 M C -1.351 174.966 176.300 0.027 0.000 0.960 456 M CA -0.129 55.103 55.300 -0.113 0.000 0.920 456 M CB 1.457 33.972 32.600 -0.140 0.000 1.541 456 M HN 0.595 nan 8.290 nan 0.000 0.429 457 L N 2.158 123.359 121.223 -0.036 0.000 2.357 457 L HA 0.916 5.256 4.340 -0.000 0.000 0.273 457 L C 0.550 177.164 176.870 -0.427 0.000 1.080 457 L CA -0.583 54.096 54.840 -0.269 0.000 0.803 457 L CB 1.359 43.284 42.059 -0.224 0.000 1.174 457 L HN 0.785 nan 8.230 nan 0.000 0.443 458 G N 1.205 109.268 108.800 -1.229 0.000 2.719 458 G HA2 0.497 4.457 3.960 -0.000 0.000 0.298 458 G HA3 0.497 4.457 3.960 -0.000 0.000 0.298 458 G C -1.976 172.179 174.900 -1.242 0.000 1.411 458 G CA -0.384 43.823 45.100 -1.488 0.000 0.991 458 G HN 0.417 nan 8.290 nan 0.000 0.509 459 W N 1.777 122.764 121.300 -0.523 0.000 2.666 459 W HA 0.439 5.099 4.660 -0.000 0.000 0.334 459 W C 0.818 177.232 176.519 -0.174 0.000 1.051 459 W CA -0.617 56.556 57.345 -0.286 0.000 1.224 459 W CB 2.483 31.852 29.460 -0.152 0.000 1.405 459 W HN 0.787 nan 8.180 nan 0.000 0.513 460 T N -0.249 114.361 114.554 0.093 0.000 2.833 460 T HA 0.352 4.702 4.350 -0.000 0.000 0.312 460 T C 0.154 174.954 174.700 0.167 0.000 1.085 460 T CA -0.532 61.648 62.100 0.134 0.000 0.955 460 T CB 0.913 69.844 68.868 0.105 0.000 1.353 460 T HN 0.257 nan 8.240 nan 0.000 0.544 461 K N 0.215 120.695 120.400 0.133 0.000 2.218 461 K HA 0.625 4.945 4.320 -0.000 0.000 0.276 461 K C 0.343 177.006 176.600 0.105 0.000 1.022 461 K CA -0.336 56.019 56.287 0.112 0.000 0.946 461 K CB 0.997 33.546 32.500 0.083 0.000 1.000 461 K HN 1.031 nan 8.250 nan 0.000 0.468 462 G N 0.549 109.406 108.800 0.095 0.000 2.356 462 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.288 462 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.288 462 G C -0.032 174.906 174.900 0.064 0.000 1.302 462 G CA -0.979 44.171 45.100 0.083 0.000 0.887 462 G HN 0.559 nan 8.290 nan 0.000 0.521 463 R N 0.045 120.555 120.500 0.017 0.000 2.103 463 R HA -0.095 4.245 4.340 -0.000 0.000 0.242 463 R C 2.869 179.196 176.300 0.045 0.000 1.142 463 R CA 2.168 58.237 56.100 -0.053 0.000 0.960 463 R CB -0.653 29.467 30.300 -0.300 0.000 0.858 463 R HN 0.718 nan 8.270 nan 0.000 0.439 464 A N 2.100 125.024 122.820 0.173 0.000 1.892 464 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 464 A C 2.233 179.921 177.584 0.174 0.000 1.188 464 A CA 1.413 53.633 52.037 0.305 0.000 0.631 464 A CB -0.595 18.689 19.000 0.473 0.000 0.822 464 A HN 0.264 nan 8.150 nan 0.000 0.447 465 L N -0.323 120.991 121.223 0.151 0.000 2.051 465 L HA -0.180 4.160 4.340 -0.000 0.000 0.214 465 L C 2.450 179.318 176.870 -0.003 0.000 1.076 465 L CA 2.273 57.148 54.840 0.058 0.000 0.758 465 L CB -0.631 41.513 42.059 0.143 0.000 0.890 465 L HN 0.215 nan 8.230 nan 0.000 0.433 466 V N -0.261 119.671 119.914 0.030 0.000 2.295 466 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 466 V C 2.456 178.528 176.094 -0.035 0.000 1.049 466 V CA 2.074 64.385 62.300 0.019 0.000 1.024 466 V CB -0.932 30.893 31.823 0.005 0.000 0.648 466 V HN 0.649 nan 8.190 nan 0.000 0.447 467 G N -0.673 108.098 108.800 -0.047 0.000 2.440 467 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 467 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 467 G C 1.609 176.353 174.900 -0.261 0.000 1.154 467 G CA 0.962 46.027 45.100 -0.058 0.000 0.767 467 G HN 0.704 nan 8.290 nan 0.000 0.552 468 G N -0.140 108.276 108.800 -0.641 0.000 2.476 468 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 468 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 468 G C 1.588 176.004 174.900 -0.806 0.000 1.164 468 G CA 1.043 45.285 45.100 -1.431 0.000 0.768 468 G HN 0.561 nan 8.290 nan 0.000 0.560 469 H N 0.035 118.866 119.070 -0.398 0.000 2.555 469 H HA 0.138 4.694 4.556 -0.000 0.000 0.269 469 H C 2.563 177.836 175.328 -0.092 0.000 0.988 469 H CA 0.516 56.439 56.048 -0.207 0.000 1.178 469 H CB 0.357 30.023 29.762 -0.161 0.000 1.373 469 H HN 0.310 nan 8.280 nan 0.000 0.588 470 R N 0.067 120.548 120.500 -0.032 0.000 2.087 470 R HA -0.026 4.314 4.340 -0.000 0.000 0.216 470 R C 2.259 178.523 176.300 -0.061 0.000 1.114 470 R CA 0.133 56.223 56.100 -0.017 0.000 1.002 470 R CB -0.576 29.713 30.300 -0.019 0.000 0.903 470 R HN 0.145 nan 8.270 nan 0.000 0.445 471 L N 1.121 122.267 121.223 -0.128 0.000 2.079 471 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 471 L C 2.083 178.878 176.870 -0.125 0.000 1.081 471 L CA 1.579 56.323 54.840 -0.161 0.000 0.752 471 L CB -0.694 41.286 42.059 -0.131 0.000 0.896 471 L HN 0.064 nan 8.230 nan 0.000 0.433 472 F N 0.603 120.407 119.950 -0.244 0.000 2.069 472 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 472 F C 2.479 178.152 175.800 -0.212 0.000 1.113 472 F CA 2.010 59.889 58.000 -0.201 0.000 1.214 472 F CB -0.333 38.558 39.000 -0.181 0.000 0.978 472 F HN 0.231 nan 8.300 nan 0.000 0.474 473 E N 0.569 120.815 120.200 0.076 0.000 2.097 473 E HA -0.298 4.052 4.350 -0.000 0.000 0.196 473 E C 2.315 178.797 176.600 -0.197 0.000 1.000 473 E CA 1.982 58.357 56.400 -0.041 0.000 0.804 473 E CB -0.563 29.169 29.700 0.054 0.000 0.740 473 E HN 0.603 nan 8.360 nan 0.000 0.454 474 M N -0.585 118.908 119.600 -0.178 0.000 2.080 474 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 474 M C 1.995 178.164 176.300 -0.218 0.000 1.068 474 M CA 1.497 56.689 55.300 -0.179 0.000 1.109 474 M CB -0.110 32.369 32.600 -0.202 0.000 1.342 474 M HN 0.213 nan 8.290 nan 0.000 0.405 475 L N 0.191 121.239 121.223 -0.292 0.000 1.994 475 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 475 L C 2.551 179.155 176.870 -0.443 0.000 1.071 475 L CA 1.821 56.487 54.840 -0.289 0.000 0.745 475 L CB -0.689 41.222 42.059 -0.247 0.000 0.892 475 L HN 0.330 nan 8.230 nan 0.000 0.431 476 K N 0.178 120.044 120.400 -0.890 0.000 2.103 476 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 476 K C 1.953 178.360 176.600 -0.322 0.000 1.048 476 K CA 1.487 57.226 56.287 -0.914 0.000 0.930 476 K CB -0.052 31.829 32.500 -1.031 0.000 0.716 476 K HN 0.263 nan 8.250 nan 0.000 0.444 477 E N -0.450 119.601 120.200 -0.248 0.000 2.085 477 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 477 E C 0.907 177.463 176.600 -0.073 0.000 0.994 477 E CA 1.104 57.431 56.400 -0.122 0.000 0.801 477 E CB -0.210 29.428 29.700 -0.102 0.000 0.743 477 E HN 0.644 nan 8.360 nan 0.000 0.453 478 G N 1.356 110.110 108.800 -0.078 0.000 2.246 478 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.273 478 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.273 478 G C 0.649 175.541 174.900 -0.013 0.000 1.055 478 G CA 1.011 46.098 45.100 -0.021 0.000 0.851 478 G HN 0.253 nan 8.290 nan 0.000 0.500 479 K N -1.600 118.785 120.400 -0.026 0.000 2.399 479 K HA 0.340 4.660 4.320 -0.000 0.000 0.196 479 K C 0.490 177.085 176.600 -0.009 0.000 1.117 479 K CA 0.545 56.824 56.287 -0.013 0.000 0.965 479 K CB 1.094 33.584 32.500 -0.017 0.000 0.983 479 K HN 0.252 nan 8.250 nan 0.000 0.531 480 V N 2.769 122.673 119.914 -0.017 0.000 2.376 480 V HA 0.150 4.270 4.120 -0.000 0.000 0.287 480 V C -0.564 175.530 176.094 -0.001 0.000 1.015 480 V CA -1.309 60.988 62.300 -0.006 0.000 0.834 480 V CB 1.069 32.886 31.823 -0.010 0.000 1.001 480 V HN 0.199 nan 8.190 nan 0.000 0.428 481 N N 7.092 125.801 118.700 0.016 0.000 2.294 481 N HA 0.049 4.789 4.740 -0.000 0.000 0.263 481 N C -1.496 174.047 175.510 0.055 0.000 1.281 481 N CA -0.930 52.138 53.050 0.030 0.000 0.846 481 N CB 1.297 39.801 38.487 0.028 0.000 1.061 481 N HN 0.334 nan 8.380 nan 0.000 0.478 482 P HA 0.059 nan 4.420 nan 0.000 0.240 482 P C -0.261 177.197 177.300 0.263 0.000 1.190 482 P CA 0.317 63.495 63.100 0.130 0.000 0.781 482 P CB 0.461 32.190 31.700 0.048 0.000 0.931 483 S N 0.019 115.814 115.700 0.159 0.000 2.568 483 S HA 0.506 4.976 4.470 -0.000 0.000 0.302 483 S C -2.111 172.493 174.600 0.006 0.000 1.082 483 S CA -2.016 56.254 58.200 0.116 0.000 1.009 483 S CB 1.259 64.553 63.200 0.157 0.000 1.069 483 S HN -0.183 nan 8.310 nan 0.000 0.500 484 P HA 0.131 nan 4.420 nan 0.000 0.245 484 P C 0.254 177.408 177.300 -0.244 0.000 1.203 484 P CA 0.504 63.433 63.100 -0.286 0.000 0.792 484 P CB 0.044 31.405 31.700 -0.566 0.000 0.997 485 Y N -0.549 119.836 120.300 0.142 0.000 2.239 485 Y HA 0.223 4.773 4.550 -0.000 0.000 0.293 485 Y C 1.779 177.737 175.900 0.098 0.000 1.126 485 Y CA 0.673 58.882 58.100 0.182 0.000 1.128 485 Y CB -0.337 38.279 38.460 0.260 0.000 1.066 485 Y HN -0.182 nan 8.280 nan 0.000 0.516 486 M N -0.067 119.645 119.600 0.187 0.000 2.716 486 M HA 0.281 4.761 4.480 -0.000 0.000 0.307 486 M C -0.594 175.687 176.300 -0.032 0.000 1.223 486 M CA -0.986 54.326 55.300 0.020 0.000 0.871 486 M CB 1.858 34.470 32.600 0.020 0.000 1.739 486 M HN -0.134 nan 8.290 nan 0.000 0.475 487 K N 2.228 122.523 120.400 -0.175 0.000 2.310 487 K HA 0.325 4.645 4.320 -0.000 0.000 0.290 487 K C -1.009 175.577 176.600 -0.024 0.000 1.077 487 K CA -0.356 55.866 56.287 -0.108 0.000 0.922 487 K CB 0.374 32.764 32.500 -0.183 0.000 1.057 487 K HN 0.453 nan 8.250 nan 0.000 0.479 488 I N 3.937 124.545 120.570 0.063 0.000 2.342 488 I HA 0.037 4.207 4.170 -0.000 0.000 0.291 488 I C 0.399 176.595 176.117 0.132 0.000 1.010 488 I CA -0.273 61.115 61.300 0.147 0.000 1.308 488 I CB 0.832 38.974 38.000 0.236 0.000 1.400 488 I HN 0.550 nan 8.210 nan 0.000 0.488 489 S N 6.748 122.534 115.700 0.143 0.000 2.516 489 S HA 0.291 4.761 4.470 -0.000 0.000 0.268 489 S C -0.530 174.157 174.600 0.146 0.000 1.251 489 S CA -0.795 57.481 58.200 0.125 0.000 1.153 489 S CB 0.134 63.386 63.200 0.085 0.000 1.009 489 S HN 0.457 nan 8.310 nan 0.000 0.479 490 Y N 3.790 124.108 120.300 0.030 0.000 2.810 490 Y HA 0.217 4.767 4.550 -0.000 0.000 0.332 490 Y C -0.086 175.835 175.900 0.035 0.000 1.243 490 Y CA 0.128 58.234 58.100 0.010 0.000 1.537 490 Y CB 0.408 38.814 38.460 -0.090 0.000 1.265 490 Y HN 0.691 nan 8.280 nan 0.000 0.572 491 Q N 4.195 123.626 119.800 -0.616 0.000 2.293 491 Q HA 0.272 4.612 4.340 -0.000 0.000 0.261 491 Q C -1.354 174.112 176.000 -0.889 0.000 0.960 491 Q CA -0.829 54.635 55.803 -0.566 0.000 0.882 491 Q CB 1.170 29.793 28.738 -0.192 0.000 1.275 491 Q HN 0.783 nan 8.270 nan 0.000 0.445 492 H N 1.564 120.252 119.070 -0.636 0.000 2.899 492 H HA 0.416 4.972 4.556 -0.000 0.000 0.303 492 H C 0.291 175.568 175.328 -0.084 0.000 1.042 492 H CA 1.491 57.377 56.048 -0.272 0.000 1.479 492 H CB 0.280 30.038 29.762 -0.006 0.000 1.493 492 H HN 0.886 nan 8.280 nan 0.000 0.534 493 G N 3.580 112.324 108.800 -0.094 0.000 2.860 493 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.547 493 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.547 493 G C 0.385 175.328 174.900 0.072 0.000 1.103 493 G CA -0.513 44.620 45.100 0.055 0.000 1.126 493 G HN 0.992 nan 8.290 nan 0.000 0.490 494 G N 0.473 109.360 108.800 0.144 0.000 2.093 494 G HA2 0.516 4.476 3.960 -0.000 0.000 0.257 494 G HA3 0.516 4.476 3.960 -0.000 0.000 0.257 494 G C 0.715 175.714 174.900 0.164 0.000 1.004 494 G CA 0.684 45.888 45.100 0.174 0.000 0.949 494 G HN 2.165 nan 8.290 nan 0.000 0.400 495 A N 3.248 126.163 122.820 0.158 0.000 2.943 495 A HA 0.541 4.861 4.320 -0.000 0.000 0.327 495 A C -0.957 176.736 177.584 0.182 0.000 1.141 495 A CA -0.606 51.515 52.037 0.139 0.000 0.773 495 A CB 0.515 19.561 19.000 0.076 0.000 1.143 495 A HN 0.778 nan 8.150 nan 0.000 0.463 496 F N 3.661 123.604 119.950 -0.012 0.000 2.366 496 F HA 0.554 5.081 4.527 -0.000 0.000 0.366 496 F C -0.020 175.649 175.800 -0.219 0.000 1.096 496 F CA -1.336 56.591 58.000 -0.122 0.000 1.060 496 F CB 0.792 39.696 39.000 -0.161 0.000 1.282 496 F HN 0.313 nan 8.300 nan 0.000 0.450 497 L N 5.722 126.610 121.223 -0.560 0.000 3.550 497 L HA -0.125 4.215 4.340 -0.000 0.000 0.523 497 L C 1.238 177.896 176.870 -0.354 0.000 1.312 497 L CA 0.992 55.477 54.840 -0.591 0.000 0.864 497 L CB -1.775 39.700 42.059 -0.973 0.000 1.592 497 L HN 1.034 nan 8.230 nan 0.000 0.859 498 G N -1.829 106.853 108.800 -0.197 0.000 2.302 498 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.263 498 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.263 498 G C 0.301 175.138 174.900 -0.105 0.000 0.995 498 G CA 0.576 45.606 45.100 -0.116 0.000 0.622 498 G HN 0.509 nan 8.290 nan 0.000 0.538 499 D N 0.288 120.600 120.400 -0.147 0.000 2.198 499 D HA 0.671 5.311 4.640 -0.000 0.000 0.245 499 D C 0.318 176.701 176.300 0.140 0.000 1.079 499 D CA -0.262 53.692 54.000 -0.077 0.000 0.854 499 D CB 1.783 42.407 40.800 -0.293 0.000 1.148 499 D HN 0.315 nan 8.370 nan 0.000 0.456 500 I N 1.414 122.107 120.570 0.205 0.000 2.822 500 I HA 0.323 4.493 4.170 -0.000 0.000 0.312 500 I C -0.980 175.237 176.117 0.168 0.000 1.011 500 I CA -1.020 60.402 61.300 0.204 0.000 1.105 500 I CB 1.750 39.815 38.000 0.108 0.000 1.291 500 I HN 0.067 nan 8.210 nan 0.000 0.474 501 L N 5.857 127.069 121.223 -0.019 0.000 2.319 501 L HA 0.454 4.794 4.340 -0.000 0.000 0.281 501 L C -1.357 175.376 176.870 -0.228 0.000 1.005 501 L CA -0.289 54.312 54.840 -0.397 0.000 0.828 501 L CB 1.060 42.666 42.059 -0.756 0.000 1.227 501 L HN 0.298 nan 8.230 nan 0.000 0.415 502 L N 6.436 127.543 121.223 -0.194 0.000 2.298 502 L HA 0.405 4.745 4.340 -0.000 0.000 0.284 502 L C -1.220 175.611 176.870 -0.066 0.000 1.013 502 L CA -0.648 54.206 54.840 0.023 0.000 0.824 502 L CB 0.862 42.950 42.059 0.048 0.000 1.221 502 L HN 0.552 nan 8.230 nan 0.000 0.418 503 Y N 1.669 121.945 120.300 -0.041 0.000 2.932 503 Y HA -0.188 4.362 4.550 -0.000 0.000 0.077 503 Y C 0.395 176.343 175.900 0.081 0.000 2.140 503 Y CA -0.318 57.796 58.100 0.024 0.000 1.062 503 Y CB -1.280 37.212 38.460 0.053 0.000 1.733 503 Y HN 0.796 nan 8.280 nan 0.000 0.313 504 D N -0.950 119.577 120.400 0.211 0.000 2.636 504 D HA 0.607 5.247 4.640 -0.000 0.000 0.236 504 D C 0.022 176.357 176.300 0.058 0.000 1.176 504 D CA -0.067 54.012 54.000 0.133 0.000 1.081 504 D CB -0.107 40.746 40.800 0.089 0.000 1.213 504 D HN 0.193 nan 8.370 nan 0.000 0.633 505 S N -0.150 115.569 115.700 0.032 0.000 2.481 505 S HA 0.405 4.875 4.470 -0.000 0.000 0.282 505 S C 0.577 175.164 174.600 -0.022 0.000 1.243 505 S CA -0.157 58.034 58.200 -0.015 0.000 1.078 505 S CB -0.580 62.619 63.200 -0.002 0.000 0.916 505 S HN 0.946 nan 8.310 nan 0.000 0.495 506 R N 1.499 121.964 120.500 -0.059 0.000 4.250 506 R HA -0.147 4.193 4.340 -0.000 0.000 0.250 506 R C -0.956 175.294 176.300 -0.083 0.000 0.242 506 R CA -0.035 56.025 56.100 -0.067 0.000 0.880 506 R CB -1.189 29.089 30.300 -0.035 0.000 1.203 506 R HN 0.784 nan 8.270 nan 0.000 0.449 507 R N -0.380 120.063 120.500 -0.096 0.000 2.592 507 R HA 0.328 4.668 4.340 -0.000 0.000 0.439 507 R C -0.890 175.387 176.300 -0.038 0.000 0.995 507 R CA -0.518 55.489 56.100 -0.156 0.000 1.141 507 R CB 0.690 30.818 30.300 -0.287 0.000 1.495 507 R HN 0.565 nan 8.270 nan 0.000 0.579 508 E N 2.469 122.695 120.200 0.043 0.000 2.229 508 E HA 0.136 4.486 4.350 -0.000 0.000 0.283 508 E C -1.986 174.716 176.600 0.170 0.000 1.030 508 E CA -2.183 54.271 56.400 0.090 0.000 0.836 508 E CB 1.323 31.053 29.700 0.050 0.000 1.068 508 E HN -0.059 nan 8.360 nan 0.000 0.401 509 P HA -0.063 nan 4.420 nan 0.000 0.244 509 P C 0.877 178.186 177.300 0.015 0.000 1.211 509 P CA 0.439 63.605 63.100 0.110 0.000 0.760 509 P CB 0.209 32.012 31.700 0.171 0.000 0.961 510 G N 0.790 109.616 108.800 0.044 0.000 2.518 510 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.213 510 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.213 510 G C 1.619 176.514 174.900 -0.009 0.000 1.226 510 G CA 0.829 45.941 45.100 0.020 0.000 0.822 510 G HN 0.363 nan 8.290 nan 0.000 0.546 511 S N 1.004 116.708 115.700 0.007 0.000 2.500 511 S HA 0.342 4.812 4.470 -0.000 0.000 0.239 511 S C 1.419 175.999 174.600 -0.032 0.000 0.989 511 S CA 0.685 58.883 58.200 -0.002 0.000 0.951 511 S CB -0.460 62.750 63.200 0.017 0.000 0.759 511 S HN 0.730 nan 8.310 nan 0.000 0.523 512 A N 2.305 125.087 122.820 -0.064 0.000 2.546 512 A HA 0.483 4.803 4.320 -0.000 0.000 0.243 512 A C 0.346 177.789 177.584 -0.237 0.000 1.063 512 A CA -0.220 51.705 52.037 -0.187 0.000 0.757 512 A CB -0.549 18.235 19.000 -0.360 0.000 0.991 512 A HN 0.914 nan 8.150 nan 0.000 0.503 513 I N -1.052 119.372 120.570 -0.242 0.000 2.608 513 I HA 0.702 4.872 4.170 -0.000 0.000 0.295 513 I C -0.895 175.073 176.117 -0.249 0.000 1.049 513 I CA -0.949 60.235 61.300 -0.193 0.000 1.063 513 I CB 1.819 39.774 38.000 -0.075 0.000 1.248 513 I HN 0.469 nan 8.210 nan 0.000 0.424 514 F N 4.827 124.706 119.950 -0.118 0.000 2.399 514 F HA 0.592 5.119 4.527 -0.000 0.000 0.342 514 F C 0.345 176.089 175.800 -0.094 0.000 1.106 514 F CA -0.206 57.725 58.000 -0.114 0.000 1.196 514 F CB 1.807 40.738 39.000 -0.114 0.000 1.163 514 F HN 0.455 nan 8.300 nan 0.000 0.547 515 V N 0.709 120.714 119.914 0.152 0.000 2.969 515 V HA 0.745 4.865 4.120 -0.000 0.000 0.304 515 V C -0.058 176.040 176.094 0.007 0.000 1.192 515 V CA -1.215 61.107 62.300 0.036 0.000 0.962 515 V CB 0.821 32.651 31.823 0.012 0.000 1.045 515 V HN 0.941 nan 8.190 nan 0.000 0.428 516 G N 1.720 110.459 108.800 -0.102 0.000 2.460 516 G HA2 0.048 4.008 3.960 -0.000 0.000 0.230 516 G HA3 0.048 4.008 3.960 -0.000 0.000 0.230 516 G C 0.173 175.065 174.900 -0.013 0.000 1.248 516 G CA 0.336 45.320 45.100 -0.193 0.000 0.863 516 G HN 1.195 nan 8.290 nan 0.000 0.549 517 N N 1.609 120.330 118.700 0.035 0.000 2.448 517 N HA 0.014 4.754 4.740 -0.000 0.000 0.250 517 N C 1.430 177.098 175.510 0.263 0.000 1.136 517 N CA -0.701 52.426 53.050 0.128 0.000 0.953 517 N CB 0.462 39.004 38.487 0.092 0.000 1.251 517 N HN 0.319 nan 8.380 nan 0.000 0.502 518 I N 4.089 124.799 120.570 0.235 0.000 2.300 518 I HA -0.320 3.850 4.170 -0.000 0.000 0.252 518 I C 1.104 177.350 176.117 0.215 0.000 1.119 518 I CA 1.464 62.930 61.300 0.278 0.000 1.384 518 I CB -0.300 37.833 38.000 0.222 0.000 1.062 518 I HN 0.573 nan 8.210 nan 0.000 0.426 519 N N -0.796 117.952 118.700 0.080 0.000 2.309 519 N HA -0.116 4.624 4.740 -0.000 0.000 0.182 519 N C 1.839 177.411 175.510 0.103 0.000 1.018 519 N CA 1.339 54.371 53.050 -0.029 0.000 0.876 519 N CB -0.154 38.245 38.487 -0.148 0.000 0.972 519 N HN 0.253 nan 8.380 nan 0.000 0.434 520 S N 0.180 115.984 115.700 0.173 0.000 2.395 520 S HA 0.036 4.506 4.470 -0.000 0.000 0.225 520 S C 1.734 176.439 174.600 0.175 0.000 1.027 520 S CA 0.354 58.675 58.200 0.202 0.000 0.965 520 S CB -0.099 63.254 63.200 0.254 0.000 0.812 520 S HN 0.330 nan 8.310 nan 0.000 0.482 521 M N 1.045 120.638 119.600 -0.012 0.000 2.267 521 M HA -0.062 4.418 4.480 -0.000 0.000 0.263 521 M C 1.362 177.672 176.300 0.017 0.000 1.063 521 M CA 1.344 56.345 55.300 -0.498 0.000 1.090 521 M CB -0.234 31.545 32.600 -1.369 0.000 1.392 521 M HN 0.286 nan 8.290 nan 0.000 0.422 522 L N -0.206 121.140 121.223 0.205 0.000 2.240 522 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 522 L C 1.826 179.013 176.870 0.528 0.000 1.106 522 L CA 0.489 55.599 54.840 0.450 0.000 0.793 522 L CB -0.694 41.570 42.059 0.342 0.000 0.927 522 L HN 0.305 nan 8.230 nan 0.000 0.446 523 N N 0.583 119.473 118.700 0.317 0.000 2.207 523 N HA -0.121 4.619 4.740 -0.000 0.000 0.182 523 N C 1.252 176.905 175.510 0.239 0.000 1.020 523 N CA 1.196 54.406 53.050 0.265 0.000 0.858 523 N CB -0.487 38.099 38.487 0.166 0.000 0.991 523 N HN 0.414 nan 8.380 nan 0.000 0.427 524 N N 0.312 119.134 118.700 0.203 0.000 2.521 524 N HA 0.017 4.757 4.740 -0.000 0.000 0.188 524 N C 1.090 176.698 175.510 0.164 0.000 1.146 524 N CA 0.240 53.391 53.050 0.168 0.000 0.893 524 N CB 0.225 38.820 38.487 0.180 0.000 0.975 524 N HN 0.382 nan 8.380 nan 0.000 0.451 525 Q N -0.936 118.966 119.800 0.171 0.000 2.471 525 Q HA 0.162 4.502 4.340 -0.000 0.000 0.241 525 Q C 0.567 176.502 176.000 -0.108 0.000 0.886 525 Q CA 0.569 56.367 55.803 -0.009 0.000 0.953 525 Q CB 0.417 28.984 28.738 -0.285 0.000 1.108 525 Q HN 0.377 nan 8.270 nan 0.000 0.575 526 F N 0.232 120.458 119.950 0.460 0.000 2.637 526 F HA 0.151 4.677 4.527 -0.000 0.000 0.284 526 F C 0.846 176.911 175.800 0.442 0.000 1.105 526 F CA -0.118 58.225 58.000 0.572 0.000 1.356 526 F CB 0.856 40.180 39.000 0.540 0.000 1.096 526 F HN -0.188 nan 8.300 nan 0.000 0.616 527 S N 0.407 116.358 115.700 0.418 0.000 2.158 527 S HA 0.497 4.967 4.470 -0.000 0.000 0.160 527 S C -3.058 171.632 174.600 0.149 0.000 1.693 527 S CA -1.411 56.950 58.200 0.268 0.000 1.251 527 S CB 0.488 63.818 63.200 0.218 0.000 1.153 527 S HN -0.228 nan 8.310 nan 0.000 0.439 528 P HA 0.333 nan 4.420 nan 0.000 0.276 528 P C 0.412 177.699 177.300 -0.023 0.000 1.244 528 P CA -0.468 62.657 63.100 0.042 0.000 0.801 528 P CB 0.671 32.378 31.700 0.011 0.000 1.006 529 E N -0.235 119.899 120.200 -0.110 0.000 2.338 529 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 529 E C -0.176 176.129 176.600 -0.492 0.000 1.007 529 E CA 1.140 57.336 56.400 -0.340 0.000 0.849 529 E CB -0.225 29.174 29.700 -0.501 0.000 0.774 529 E HN 0.510 nan 8.360 nan 0.000 0.506 530 Y N -1.219 119.075 120.300 -0.011 0.000 2.605 530 Y HA 0.510 5.060 4.550 -0.000 0.000 0.343 530 Y C 0.914 176.782 175.900 -0.054 0.000 1.036 530 Y CA -1.275 56.807 58.100 -0.030 0.000 1.065 530 Y CB 1.518 39.957 38.460 -0.035 0.000 1.288 530 Y HN -0.158 nan 8.280 nan 0.000 0.481 531 G N -0.087 108.789 108.800 0.127 0.000 2.494 531 G HA2 0.360 4.320 3.960 -0.000 0.000 0.270 531 G HA3 0.360 4.320 3.960 -0.000 0.000 0.270 531 G C 0.596 175.484 174.900 -0.020 0.000 1.423 531 G CA -0.102 45.012 45.100 0.023 0.000 1.055 531 G HN 0.618 nan 8.290 nan 0.000 0.536 532 V N -3.677 116.207 119.914 -0.051 0.000 3.471 532 V HA 0.228 4.348 4.120 -0.000 0.000 0.258 532 V C 0.709 176.758 176.094 -0.074 0.000 1.192 532 V CA 0.850 63.104 62.300 -0.076 0.000 1.116 532 V CB -1.154 30.628 31.823 -0.068 0.000 0.792 532 V HN 0.728 nan 8.190 nan 0.000 0.459 533 Q N 0.801 120.569 119.800 -0.053 0.000 2.457 533 Q HA -0.199 4.141 4.340 -0.000 0.000 0.333 533 Q C 1.193 177.161 176.000 -0.053 0.000 1.448 533 Q CA 0.613 56.383 55.803 -0.055 0.000 0.891 533 Q CB -1.970 26.720 28.738 -0.080 0.000 1.142 533 Q HN 0.599 nan 8.270 nan 0.000 0.375 534 S N -0.763 114.915 115.700 -0.037 0.000 2.447 534 S HA -0.076 4.394 4.470 -0.000 0.000 0.233 534 S C 1.603 176.189 174.600 -0.024 0.000 1.006 534 S CA 1.043 59.226 58.200 -0.029 0.000 0.957 534 S CB 0.118 63.308 63.200 -0.017 0.000 0.773 534 S HN 0.751 nan 8.310 nan 0.000 0.507 535 G N 0.554 109.340 108.800 -0.024 0.000 3.262 535 G HA2 0.233 4.193 3.960 -0.000 0.000 0.228 535 G HA3 0.233 4.193 3.960 -0.000 0.000 0.228 535 G C 0.018 174.903 174.900 -0.025 0.000 1.197 535 G CA -0.103 44.985 45.100 -0.019 0.000 0.819 535 G HN 0.299 nan 8.290 nan 0.000 0.531 536 V N 1.270 121.163 119.914 -0.035 0.000 2.288 536 V HA 0.195 4.315 4.120 -0.000 0.000 0.266 536 V C 1.534 177.611 176.094 -0.029 0.000 1.048 536 V CA -0.701 61.575 62.300 -0.041 0.000 0.842 536 V CB 0.571 32.355 31.823 -0.066 0.000 1.064 536 V HN 0.469 nan 8.190 nan 0.000 0.472 537 R N 1.983 122.474 120.500 -0.016 0.000 2.313 537 R HA -0.255 4.085 4.340 -0.000 0.000 0.210 537 R C 0.937 177.249 176.300 0.019 0.000 1.096 537 R CA 2.489 58.589 56.100 0.000 0.000 0.681 537 R CB -0.181 30.117 30.300 -0.004 0.000 0.918 537 R HN 0.731 nan 8.270 nan 0.000 0.333 538 D N -0.596 119.811 120.400 0.011 0.000 2.233 538 D HA 0.110 4.750 4.640 -0.000 0.000 0.240 538 D C 0.654 176.923 176.300 -0.051 0.000 1.074 538 D CA -0.097 53.932 54.000 0.048 0.000 0.838 538 D CB 1.013 41.843 40.800 0.050 0.000 1.124 538 D HN 0.113 nan 8.370 nan 0.000 0.475 539 R N 1.364 121.802 120.500 -0.102 0.000 2.070 539 R HA -0.142 4.198 4.340 -0.000 0.000 0.233 539 R C 2.194 178.226 176.300 -0.447 0.000 1.137 539 R CA 1.702 57.578 56.100 -0.374 0.000 0.945 539 R CB -0.379 29.548 30.300 -0.621 0.000 0.845 539 R HN 0.541 nan 8.270 nan 0.000 0.430 540 S N 1.380 116.821 115.700 -0.430 0.000 2.420 540 S HA -0.175 4.295 4.470 -0.000 0.000 0.237 540 S C 1.501 175.984 174.600 -0.196 0.000 1.023 540 S CA 1.328 59.352 58.200 -0.293 0.000 0.991 540 S CB -0.183 62.934 63.200 -0.137 0.000 0.792 540 S HN 0.318 nan 8.310 nan 0.000 0.488 541 K N 0.551 120.854 120.400 -0.163 0.000 2.444 541 K HA 0.211 4.531 4.320 -0.000 0.000 0.193 541 K C 0.714 177.217 176.600 -0.162 0.000 1.024 541 K CA -0.009 56.199 56.287 -0.132 0.000 1.077 541 K CB 0.148 32.592 32.500 -0.095 0.000 0.833 541 K HN 0.373 nan 8.250 nan 0.000 0.517 542 R N 0.536 120.909 120.500 -0.211 0.000 2.549 542 R HA 0.193 4.533 4.340 -0.000 0.000 0.267 542 R C 1.012 177.161 176.300 -0.251 0.000 1.045 542 R CA -0.635 55.328 56.100 -0.228 0.000 1.115 542 R CB 0.648 30.798 30.300 -0.249 0.000 1.121 542 R HN -0.186 nan 8.270 nan 0.000 0.543 543 K N 1.046 121.266 120.400 -0.301 0.000 2.076 543 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 543 K C 0.547 177.019 176.600 -0.214 0.000 1.051 543 K CA 1.108 57.168 56.287 -0.378 0.000 0.949 543 K CB 0.055 32.043 32.500 -0.854 0.000 0.726 543 K HN 0.318 nan 8.250 nan 0.000 0.443 544 R N 1.053 121.446 120.500 -0.180 0.000 2.352 544 R HA 0.161 4.501 4.340 -0.000 0.000 0.304 544 R C -2.158 174.000 176.300 -0.237 0.000 1.104 544 R CA -1.519 54.499 56.100 -0.137 0.000 0.991 544 R CB 1.305 31.563 30.300 -0.070 0.000 1.140 544 R HN -0.151 nan 8.270 nan 0.000 0.540 545 P HA -0.005 nan 4.420 nan 0.000 0.215 545 P C -0.576 176.131 177.300 -0.989 0.000 1.157 545 P CA 1.032 63.642 63.100 -0.818 0.000 0.856 545 P CB 0.348 31.448 31.700 -1.001 0.000 0.786 546 F N -2.736 117.183 119.950 -0.053 0.000 2.769 546 F HA 0.364 4.891 4.527 -0.000 0.000 0.358 546 F C -2.029 173.783 175.800 0.019 0.000 1.285 546 F CA -2.005 55.981 58.000 -0.023 0.000 1.199 546 F CB 1.243 40.228 39.000 -0.024 0.000 1.558 546 F HN -0.135 nan 8.300 nan 0.000 0.583 547 P HA -0.112 nan 4.420 nan 0.000 0.218 547 P C 1.902 179.340 177.300 0.230 0.000 1.148 547 P CA 1.365 64.546 63.100 0.135 0.000 0.822 547 P CB 0.290 32.024 31.700 0.056 0.000 0.784 548 G N -0.321 108.595 108.800 0.193 0.000 2.471 548 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.219 548 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.219 548 G C 1.433 176.433 174.900 0.167 0.000 1.125 548 G CA 0.237 45.420 45.100 0.137 0.000 0.775 548 G HN 0.227 nan 8.290 nan 0.000 0.548 549 L N 0.503 121.835 121.223 0.181 0.000 2.083 549 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 549 L C 3.399 180.387 176.870 0.196 0.000 1.083 549 L CA 0.963 55.898 54.840 0.159 0.000 0.752 549 L CB -0.691 41.454 42.059 0.142 0.000 0.899 549 L HN 0.324 nan 8.230 nan 0.000 0.433 550 A N 0.179 123.139 122.820 0.233 0.000 1.909 550 A HA -0.318 4.002 4.320 -0.000 0.000 0.221 550 A C 2.160 179.919 177.584 0.291 0.000 1.223 550 A CA 2.148 54.340 52.037 0.258 0.000 0.658 550 A CB -1.376 17.801 19.000 0.294 0.000 0.831 550 A HN 0.675 nan 8.150 nan 0.000 0.462 551 W N 0.004 121.354 121.300 0.083 0.000 2.313 551 W HA -0.223 4.437 4.660 -0.000 0.000 0.293 551 W C 2.330 178.890 176.519 0.069 0.000 1.216 551 W CA 1.649 59.032 57.345 0.064 0.000 1.223 551 W CB -0.106 29.354 29.460 0.001 0.000 1.138 551 W HN 0.488 nan 8.180 nan 0.000 0.535 552 A N -0.428 122.524 122.820 0.220 0.000 2.239 552 A HA -0.090 4.230 4.320 -0.000 0.000 0.209 552 A C 1.728 179.345 177.584 0.055 0.000 1.171 552 A CA 1.702 53.807 52.037 0.113 0.000 0.768 552 A CB -0.598 18.463 19.000 0.101 0.000 0.790 552 A HN 0.282 nan 8.150 nan 0.000 0.478 553 S N -2.534 113.201 115.700 0.060 0.000 2.589 553 S HA 0.127 4.597 4.470 -0.000 0.000 0.235 553 S C 1.679 176.296 174.600 0.028 0.000 1.051 553 S CA 0.543 58.766 58.200 0.038 0.000 0.978 553 S CB -0.571 62.667 63.200 0.063 0.000 0.929 553 S HN 0.375 nan 8.310 nan 0.000 0.523 554 M N 2.310 121.921 119.600 0.019 0.000 2.163 554 M HA -0.200 4.280 4.480 -0.000 0.000 0.258 554 M C 2.308 178.601 176.300 -0.012 0.000 1.071 554 M CA 2.097 57.417 55.300 0.032 0.000 1.093 554 M CB -0.350 32.121 32.600 -0.215 0.000 1.285 554 M HN 0.357 nan 8.290 nan 0.000 0.420 555 K N -0.168 120.197 120.400 -0.059 0.000 2.160 555 K HA -0.268 4.052 4.320 -0.000 0.000 0.206 555 K C 1.747 178.258 176.600 -0.148 0.000 1.047 555 K CA 2.056 58.301 56.287 -0.071 0.000 0.930 555 K CB -0.355 32.144 32.500 -0.002 0.000 0.720 555 K HN 0.592 nan 8.250 nan 0.000 0.450 556 D N -0.644 119.697 120.400 -0.099 0.000 2.106 556 D HA -0.118 4.522 4.640 -0.000 0.000 0.203 556 D C 1.677 177.878 176.300 -0.164 0.000 0.977 556 D CA 2.046 55.981 54.000 -0.109 0.000 0.844 556 D CB 0.050 40.806 40.800 -0.073 0.000 1.002 556 D HN 0.342 nan 8.370 nan 0.000 0.461 557 T N -2.054 112.389 114.554 -0.186 0.000 2.857 557 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 557 T C 1.859 176.268 174.700 -0.485 0.000 1.048 557 T CA 0.899 62.790 62.100 -0.348 0.000 1.139 557 T CB -0.741 67.849 68.868 -0.463 0.000 0.874 557 T HN 0.214 nan 8.240 nan 0.000 0.455 558 Y N 1.176 121.332 120.300 -0.240 0.000 2.478 558 Y HA 0.465 5.014 4.550 -0.000 0.000 0.261 558 Y C 2.684 178.124 175.900 -0.766 0.000 1.127 558 Y CA -0.422 57.477 58.100 -0.335 0.000 1.288 558 Y CB -0.268 38.078 38.460 -0.189 0.000 1.084 558 Y HN 0.312 nan 8.280 nan 0.000 0.530 559 G N 0.542 108.901 108.800 -0.735 0.000 2.440 559 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 559 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 559 G C 1.755 176.453 174.900 -0.337 0.000 1.154 559 G CA 0.821 45.423 45.100 -0.829 0.000 0.767 559 G HN 0.403 nan 8.290 nan 0.000 0.552 560 A N -0.764 121.930 122.820 -0.210 0.000 2.276 560 A HA 0.242 4.562 4.320 -0.000 0.000 0.205 560 A C 0.883 178.445 177.584 -0.037 0.000 1.234 560 A CA 0.216 52.199 52.037 -0.090 0.000 0.797 560 A CB -0.922 18.030 19.000 -0.079 0.000 0.769 560 A HN 0.331 nan 8.150 nan 0.000 0.491 561 C N -0.725 118.559 119.300 -0.027 0.000 2.405 561 C HA 0.414 4.874 4.460 -0.000 0.000 0.365 561 C C -0.620 174.430 174.990 0.100 0.000 1.233 561 C CA -0.930 58.124 59.018 0.059 0.000 2.230 561 C CB 1.100 28.915 27.740 0.124 0.000 2.443 561 C HN 0.412 nan 8.230 nan 0.000 0.556 562 P HA -0.096 nan 4.420 nan 0.000 0.211 562 P C 1.158 178.494 177.300 0.060 0.000 1.179 562 P CA 1.353 64.492 63.100 0.064 0.000 0.910 562 P CB -0.107 31.615 31.700 0.037 0.000 0.785 563 I N -4.488 116.064 120.570 -0.030 0.000 3.646 563 I HA -0.008 4.162 4.170 -0.000 0.000 0.301 563 I C 2.070 178.205 176.117 0.029 0.000 1.276 563 I CA 0.156 61.381 61.300 -0.125 0.000 1.254 563 I CB -0.982 36.568 38.000 -0.751 0.000 1.020 563 I HN -0.089 nan 8.210 nan 0.000 0.473 564 Y N 1.890 122.189 120.300 -0.003 0.000 1.977 564 Y HA -0.444 4.106 4.550 -0.000 0.000 0.264 564 Y C 2.941 178.871 175.900 0.049 0.000 1.167 564 Y CA 2.418 60.541 58.100 0.038 0.000 1.102 564 Y CB -0.422 38.070 38.460 0.053 0.000 0.948 564 Y HN 0.382 nan 8.280 nan 0.000 0.489 565 S N 0.065 115.731 115.700 -0.056 0.000 2.412 565 S HA -0.348 4.122 4.470 -0.000 0.000 0.246 565 S C 1.715 176.268 174.600 -0.079 0.000 1.073 565 S CA 2.226 60.358 58.200 -0.113 0.000 1.186 565 S CB -0.786 62.431 63.200 0.028 0.000 1.084 565 S HN 0.667 nan 8.310 nan 0.000 0.434 566 D N -0.010 120.421 120.400 0.052 0.000 2.219 566 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 566 D C 2.024 178.398 176.300 0.124 0.000 0.970 566 D CA 1.131 55.219 54.000 0.146 0.000 0.851 566 D CB -0.360 40.664 40.800 0.374 0.000 0.943 566 D HN 0.405 nan 8.370 nan 0.000 0.488 567 V N 0.895 120.847 119.914 0.063 0.000 2.270 567 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 567 V C 2.730 178.825 176.094 0.001 0.000 1.043 567 V CA 1.062 63.394 62.300 0.053 0.000 1.014 567 V CB -0.792 31.077 31.823 0.077 0.000 0.645 567 V HN 0.161 nan 8.190 nan 0.000 0.447 568 L N 0.152 121.317 121.223 -0.096 0.000 1.941 568 L HA -0.293 4.047 4.340 -0.000 0.000 0.224 568 L C 2.759 179.635 176.870 0.010 0.000 1.081 568 L CA 2.443 57.245 54.840 -0.064 0.000 0.784 568 L CB -0.978 40.947 42.059 -0.223 0.000 0.894 568 L HN 0.339 nan 8.230 nan 0.000 0.436 569 E N -0.151 120.041 120.200 -0.013 0.000 2.284 569 E HA -0.252 4.098 4.350 -0.000 0.000 0.200 569 E C 1.939 178.545 176.600 0.010 0.000 1.008 569 E CA 1.247 57.657 56.400 0.017 0.000 0.829 569 E CB -0.203 29.504 29.700 0.012 0.000 0.744 569 E HN 0.560 nan 8.360 nan 0.000 0.491 570 A N 0.201 123.005 122.820 -0.026 0.000 2.030 570 A HA 0.033 4.353 4.320 -0.000 0.000 0.215 570 A C 2.021 179.552 177.584 -0.088 0.000 1.164 570 A CA 0.338 52.291 52.037 -0.141 0.000 0.697 570 A CB -0.089 18.778 19.000 -0.221 0.000 0.827 570 A HN 0.134 nan 8.150 nan 0.000 0.457 571 I N -0.675 119.904 120.570 0.014 0.000 2.406 571 I HA -0.129 4.041 4.170 -0.000 0.000 0.249 571 I C 2.317 178.561 176.117 0.212 0.000 1.122 571 I CA 1.362 62.737 61.300 0.126 0.000 1.431 571 I CB -0.275 37.754 38.000 0.048 0.000 1.087 571 I HN 0.304 nan 8.210 nan 0.000 0.424 572 E N 1.747 122.047 120.200 0.166 0.000 2.049 572 E HA -0.292 4.058 4.350 -0.000 0.000 0.198 572 E C 2.309 179.096 176.600 0.312 0.000 1.007 572 E CA 1.843 58.379 56.400 0.226 0.000 0.809 572 E CB -0.141 29.655 29.700 0.160 0.000 0.749 572 E HN 0.363 nan 8.360 nan 0.000 0.450 573 R N -0.673 119.962 120.500 0.226 0.000 2.073 573 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 573 R C 2.218 178.664 176.300 0.245 0.000 1.120 573 R CA 1.494 57.749 56.100 0.259 0.000 0.967 573 R CB -0.932 29.437 30.300 0.115 0.000 0.862 573 R HN 0.324 nan 8.270 nan 0.000 0.436 574 C N 0.700 120.107 119.300 0.178 0.000 2.491 574 C HA 0.016 4.476 4.460 -0.000 0.000 0.277 574 C C 2.034 177.284 174.990 0.435 0.000 1.455 574 C CA -0.203 58.917 59.018 0.170 0.000 1.758 574 C CB -1.509 26.236 27.740 0.008 0.000 1.745 574 C HN 0.724 nan 8.230 nan 0.000 0.558 575 W N -0.849 120.621 121.300 0.283 0.000 2.560 575 W HA -0.002 4.658 4.660 -0.000 0.000 0.303 575 W C 2.199 178.892 176.519 0.290 0.000 1.151 575 W CA 0.733 58.226 57.345 0.246 0.000 1.426 575 W CB -1.155 28.423 29.460 0.196 0.000 1.135 575 W HN 0.496 nan 8.180 nan 0.000 0.522 576 W N 3.276 124.793 121.300 0.362 0.000 2.359 576 W HA -0.227 4.433 4.660 -0.000 0.000 0.275 576 W C 1.515 178.075 176.519 0.067 0.000 1.217 576 W CA 1.853 59.331 57.345 0.221 0.000 1.196 576 W CB -0.777 28.792 29.460 0.183 0.000 1.129 576 W HN -0.108 nan 8.180 nan 0.000 0.566 577 N N -0.293 118.368 118.700 -0.065 0.000 2.392 577 N HA 0.060 4.800 4.740 -0.000 0.000 0.177 577 N C 1.644 176.988 175.510 -0.277 0.000 1.066 577 N CA 1.274 54.158 53.050 -0.275 0.000 0.895 577 N CB -0.502 37.843 38.487 -0.237 0.000 0.988 577 N HN 0.246 nan 8.380 nan 0.000 0.457 578 A N -0.523 122.088 122.820 -0.348 0.000 1.956 578 A HA 0.263 4.583 4.320 -0.000 0.000 0.212 578 A C 1.229 178.222 177.584 -0.985 0.000 1.188 578 A CA 0.609 52.197 52.037 -0.747 0.000 0.675 578 A CB -0.038 18.341 19.000 -1.035 0.000 0.845 578 A HN 0.175 nan 8.150 nan 0.000 0.455 579 F N -3.121 116.633 119.950 -0.328 0.000 2.671 579 F HA 0.427 4.954 4.527 -0.000 0.000 0.303 579 F C 1.823 177.598 175.800 -0.042 0.000 0.935 579 F CA 0.527 58.375 58.000 -0.253 0.000 1.136 579 F CB 0.820 39.541 39.000 -0.465 0.000 0.929 579 F HN 0.350 nan 8.300 nan 0.000 0.659 580 G N 0.396 109.344 108.800 0.247 0.000 2.428 580 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.199 580 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.199 580 G C 0.165 175.388 174.900 0.539 0.000 1.005 580 G CA 0.014 45.326 45.100 0.354 0.000 0.671 580 G HN 0.369 nan 8.290 nan 0.000 0.485 581 E N 0.452 120.958 120.200 0.511 0.000 2.405 581 E HA 0.674 5.024 4.350 -0.000 0.000 0.249 581 E C -0.213 176.688 176.600 0.501 0.000 1.028 581 E CA -0.203 56.457 56.400 0.433 0.000 0.897 581 E CB 1.313 31.238 29.700 0.375 0.000 1.262 581 E HN 0.384 nan 8.360 nan 0.000 0.442 582 S N -0.588 115.256 115.700 0.240 0.000 2.489 582 S HA 0.058 4.528 4.470 -0.000 0.000 0.277 582 S C 0.301 174.852 174.600 -0.083 0.000 1.230 582 S CA -0.575 57.693 58.200 0.112 0.000 1.053 582 S CB 0.209 63.410 63.200 0.001 0.000 0.955 582 S HN 0.629 nan 8.310 nan 0.000 0.488 583 Y N 4.997 125.025 120.300 -0.454 0.000 2.114 583 Y HA -0.080 4.470 4.550 -0.000 0.000 0.284 583 Y C 2.578 178.149 175.900 -0.547 0.000 1.143 583 Y CA 1.812 59.340 58.100 -0.955 0.000 1.135 583 Y CB -0.121 37.808 38.460 -0.886 0.000 0.980 583 Y HN 0.745 nan 8.280 nan 0.000 0.499 584 R N 0.065 120.463 120.500 -0.171 0.000 2.159 584 R HA -0.219 4.121 4.340 -0.000 0.000 0.237 584 R C 2.259 178.384 176.300 -0.293 0.000 1.131 584 R CA 0.970 57.000 56.100 -0.117 0.000 0.982 584 R CB -0.425 29.973 30.300 0.163 0.000 0.868 584 R HN 0.503 nan 8.270 nan 0.000 0.453 585 A N -0.086 122.587 122.820 -0.245 0.000 1.841 585 A HA -0.232 4.088 4.320 -0.000 0.000 0.214 585 A C 1.907 179.269 177.584 -0.371 0.000 1.195 585 A CA 1.314 53.211 52.037 -0.233 0.000 0.611 585 A CB -1.068 17.852 19.000 -0.133 0.000 0.835 585 A HN 0.515 nan 8.150 nan 0.000 0.443 586 Y N 0.144 120.100 120.300 -0.574 0.000 2.219 586 Y HA -0.277 4.273 4.550 -0.000 0.000 0.283 586 Y C 2.267 177.635 175.900 -0.887 0.000 1.191 586 Y CA 2.091 59.780 58.100 -0.685 0.000 1.199 586 Y CB 0.121 38.080 38.460 -0.836 0.000 0.972 586 Y HN 0.144 nan 8.280 nan 0.000 0.527 587 R N -0.192 119.677 120.500 -1.052 0.000 2.300 587 R HA 0.046 4.386 4.340 -0.000 0.000 0.199 587 R C 1.444 177.129 176.300 -1.026 0.000 0.920 587 R CA 0.639 55.894 56.100 -1.408 0.000 1.046 587 R CB 0.009 28.556 30.300 -2.922 0.000 0.984 587 R HN 0.503 nan 8.270 nan 0.000 0.493 588 E N -0.143 119.665 120.200 -0.655 0.000 2.290 588 E HA -0.021 4.329 4.350 -0.000 0.000 0.197 588 E C 0.636 177.076 176.600 -0.267 0.000 0.948 588 E CA 0.227 56.432 56.400 -0.324 0.000 0.895 588 E CB 0.271 29.867 29.700 -0.173 0.000 0.865 588 E HN 0.062 nan 8.360 nan 0.000 0.486 589 D N 0.119 120.319 120.400 -0.333 0.000 2.309 589 D HA -0.134 4.506 4.640 -0.000 0.000 0.212 589 D C 1.500 177.608 176.300 -0.319 0.000 0.968 589 D CA 0.852 54.667 54.000 -0.309 0.000 0.882 589 D CB 0.143 40.719 40.800 -0.373 0.000 0.918 589 D HN 0.108 nan 8.370 nan 0.000 0.503 590 M N -0.361 119.017 119.600 -0.369 0.000 2.240 590 M HA 0.021 4.501 4.480 -0.000 0.000 0.257 590 M C 1.756 177.971 176.300 -0.142 0.000 1.107 590 M CA 0.607 55.752 55.300 -0.259 0.000 1.169 590 M CB -0.202 32.212 32.600 -0.311 0.000 1.307 590 M HN -0.022 nan 8.290 nan 0.000 0.447 591 L N 0.635 121.766 121.223 -0.154 0.000 1.941 591 L HA -0.344 3.996 4.340 -0.000 0.000 0.224 591 L C 1.969 178.821 176.870 -0.030 0.000 1.081 591 L CA 2.253 57.073 54.840 -0.033 0.000 0.784 591 L CB -1.097 40.977 42.059 0.025 0.000 0.894 591 L HN 0.369 nan 8.230 nan 0.000 0.436 592 K N -0.735 119.633 120.400 -0.053 0.000 2.071 592 K HA -0.308 4.012 4.320 -0.000 0.000 0.217 592 K C 2.120 178.696 176.600 -0.040 0.000 1.054 592 K CA 2.484 58.744 56.287 -0.044 0.000 0.937 592 K CB -0.275 32.189 32.500 -0.060 0.000 0.719 592 K HN 0.363 nan 8.250 nan 0.000 0.454 593 R N 1.271 121.739 120.500 -0.054 0.000 2.177 593 R HA -0.171 4.169 4.340 -0.000 0.000 0.221 593 R C 1.544 177.849 176.300 0.008 0.000 1.110 593 R CA 2.415 58.494 56.100 -0.035 0.000 0.875 593 R CB -0.349 29.916 30.300 -0.058 0.000 0.810 593 R HN 0.102 nan 8.270 nan 0.000 0.437 594 D N -0.230 120.194 120.400 0.040 0.000 2.389 594 D HA -0.106 4.534 4.640 -0.000 0.000 0.221 594 D C 1.497 177.817 176.300 0.033 0.000 0.974 594 D CA 1.244 55.318 54.000 0.122 0.000 0.923 594 D CB -0.190 40.734 40.800 0.207 0.000 0.892 594 D HN 0.428 nan 8.370 nan 0.000 0.518 595 T N 0.675 115.219 114.554 -0.016 0.000 2.867 595 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 595 T C 1.822 176.479 174.700 -0.072 0.000 1.057 595 T CA 0.299 62.357 62.100 -0.070 0.000 1.136 595 T CB 0.155 68.998 68.868 -0.042 0.000 0.874 595 T HN 0.070 nan 8.240 nan 0.000 0.466 596 L N 1.418 122.626 121.223 -0.025 0.000 2.023 596 L HA 0.045 4.385 4.340 -0.000 0.000 0.205 596 L C 2.583 179.470 176.870 0.028 0.000 1.073 596 L CA 1.470 56.305 54.840 -0.007 0.000 0.745 596 L CB -1.541 40.520 42.059 0.003 0.000 0.900 596 L HN 0.178 nan 8.230 nan 0.000 0.435 597 E N -0.018 120.237 120.200 0.092 0.000 2.086 597 E HA -0.279 4.070 4.350 -0.000 0.000 0.205 597 E C 2.234 178.991 176.600 0.262 0.000 1.027 597 E CA 1.212 57.764 56.400 0.254 0.000 0.830 597 E CB -0.692 29.244 29.700 0.393 0.000 0.751 597 E HN 0.219 nan 8.360 nan 0.000 0.456 598 L N 1.605 122.750 121.223 -0.130 0.000 1.956 598 L HA -0.240 4.100 4.340 -0.000 0.000 0.216 598 L C 2.340 179.168 176.870 -0.069 0.000 1.073 598 L CA 2.328 56.921 54.840 -0.412 0.000 0.762 598 L CB -1.237 40.405 42.059 -0.696 0.000 0.889 598 L HN 0.048 nan 8.230 nan 0.000 0.433 599 S N -0.003 115.655 115.700 -0.071 0.000 2.380 599 S HA -0.389 4.081 4.470 -0.000 0.000 0.229 599 S C 1.928 176.532 174.600 0.008 0.000 1.050 599 S CA 1.970 60.152 58.200 -0.030 0.000 1.100 599 S CB -0.898 62.283 63.200 -0.032 0.000 0.984 599 S HN 0.605 nan 8.310 nan 0.000 0.434 600 R N 1.116 121.630 120.500 0.022 0.000 2.119 600 R HA -0.163 4.177 4.340 -0.000 0.000 0.246 600 R C 0.546 176.804 176.300 -0.070 0.000 1.146 600 R CA 1.263 57.347 56.100 -0.027 0.000 0.962 600 R CB -0.609 29.669 30.300 -0.035 0.000 0.863 600 R HN 0.439 nan 8.270 nan 0.000 0.442 616 P HA 0.343 nan 4.420 nan 0.000 0.222 616 P C 1.629 178.882 177.300 -0.077 0.000 1.153 616 P CA 0.369 63.428 63.100 -0.067 0.000 0.798 616 P CB 0.051 31.705 31.700 -0.076 0.000 0.796 617 I N -0.292 120.181 120.570 -0.161 0.000 2.500 617 I HA -0.155 4.015 4.170 -0.000 0.000 0.252 617 I C 1.451 177.462 176.117 -0.176 0.000 1.142 617 I CA 1.311 62.450 61.300 -0.270 0.000 1.451 617 I CB -0.407 37.229 38.000 -0.607 0.000 1.093 617 I HN -0.087 nan 8.210 nan 0.000 0.430 618 D N 1.023 121.345 120.400 -0.130 0.000 2.117 618 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 618 D C 2.281 178.583 176.300 0.004 0.000 0.982 618 D CA 1.128 55.090 54.000 -0.063 0.000 0.828 618 D CB -0.242 40.523 40.800 -0.060 0.000 0.967 618 D HN 0.234 nan 8.370 nan 0.000 0.464 619 L N 0.763 121.990 121.223 0.007 0.000 2.201 619 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 619 L C 2.315 179.240 176.870 0.090 0.000 1.105 619 L CA 0.866 55.735 54.840 0.049 0.000 0.775 619 L CB -0.126 41.958 42.059 0.040 0.000 0.913 619 L HN 0.059 nan 8.230 nan 0.000 0.440 620 E N -0.227 120.028 120.200 0.092 0.000 2.001 620 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 620 E C 2.215 178.914 176.600 0.166 0.000 1.002 620 E CA 1.702 58.192 56.400 0.151 0.000 0.819 620 E CB -0.174 29.666 29.700 0.234 0.000 0.769 620 E HN 0.202 nan 8.360 nan 0.000 0.454 621 V N 1.982 122.003 119.914 0.179 0.000 2.278 621 V HA -0.309 3.811 4.120 -0.000 0.000 0.251 621 V C 2.523 178.701 176.094 0.139 0.000 1.062 621 V CA 1.712 64.117 62.300 0.175 0.000 1.038 621 V CB -0.549 31.368 31.823 0.158 0.000 0.646 621 V HN 0.324 nan 8.190 nan 0.000 0.447 622 L N -0.371 120.935 121.223 0.138 0.000 2.127 622 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 622 L C 2.351 179.347 176.870 0.210 0.000 1.089 622 L CA 1.691 56.648 54.840 0.195 0.000 0.757 622 L CB -0.551 41.618 42.059 0.183 0.000 0.899 622 L HN 0.428 nan 8.230 nan 0.000 0.434 623 A N -2.106 120.812 122.820 0.164 0.000 2.267 623 A HA 0.032 4.352 4.320 -0.000 0.000 0.213 623 A C 0.179 177.819 177.584 0.094 0.000 1.192 623 A CA 0.333 52.451 52.037 0.134 0.000 0.851 623 A CB 0.098 19.190 19.000 0.153 0.000 0.881 623 A HN 0.269 nan 8.150 nan 0.000 0.494 624 D N -1.664 118.797 120.400 0.102 0.000 3.100 624 D HA 0.238 4.878 4.640 -0.000 0.000 0.350 624 D C -2.214 174.145 176.300 0.098 0.000 1.310 624 D CA -0.937 53.123 54.000 0.101 0.000 0.741 624 D CB 0.816 41.691 40.800 0.126 0.000 1.248 624 D HN -0.050 nan 8.370 nan 0.000 0.527 625 P HA -0.189 nan 4.420 nan 0.000 0.219 625 P C 0.564 177.917 177.300 0.089 0.000 1.151 625 P CA 1.008 64.147 63.100 0.066 0.000 0.850 625 P CB 0.162 31.864 31.700 0.004 0.000 0.784 626 N N -0.421 118.342 118.700 0.104 0.000 2.926 626 N HA -0.025 4.715 4.740 -0.000 0.000 0.284 626 N C 1.040 176.680 175.510 0.217 0.000 1.303 626 N CA 0.397 53.562 53.050 0.191 0.000 1.062 626 N CB -0.311 38.302 38.487 0.210 0.000 1.389 626 N HN 0.139 nan 8.380 nan 0.000 0.538 627 K N -0.545 119.874 120.400 0.032 0.000 2.313 627 K HA 0.165 4.485 4.320 -0.000 0.000 0.197 627 K C 1.053 177.337 176.600 -0.527 0.000 1.061 627 K CA 0.216 56.350 56.287 -0.255 0.000 0.980 627 K CB 0.286 32.793 32.500 0.012 0.000 0.888 627 K HN 0.302 nan 8.250 nan 0.000 0.502 628 L N -0.843 120.340 121.223 -0.067 0.000 2.472 628 L HA 0.289 4.629 4.340 -0.000 0.000 0.256 628 L C 0.622 177.546 176.870 0.090 0.000 1.111 628 L CA -0.599 54.234 54.840 -0.012 0.000 0.800 628 L CB 0.347 42.545 42.059 0.231 0.000 1.286 628 L HN -0.167 nan 8.230 nan 0.000 0.479 629 Q N -1.090 118.830 119.800 0.200 0.000 2.322 629 Q HA 0.046 4.386 4.340 -0.000 0.000 0.203 629 Q C 0.715 176.824 176.000 0.182 0.000 0.923 629 Q CA 0.703 56.615 55.803 0.182 0.000 0.949 629 Q CB -0.290 28.556 28.738 0.180 0.000 1.039 629 Q HN 0.794 nan 8.270 nan 0.000 0.496 630 Y N -0.274 120.066 120.300 0.067 0.000 2.239 630 Y HA 0.138 4.688 4.550 -0.000 0.000 0.293 630 Y C 2.119 178.048 175.900 0.048 0.000 1.126 630 Y CA 0.686 58.807 58.100 0.036 0.000 1.128 630 Y CB -0.398 38.060 38.460 -0.003 0.000 1.066 630 Y HN -0.076 nan 8.280 nan 0.000 0.516 631 K N 0.126 120.064 120.400 -0.770 0.000 2.217 631 K HA 0.053 4.373 4.320 -0.000 0.000 0.202 631 K C -0.829 175.549 176.600 -0.371 0.000 1.051 631 K CA 1.199 57.075 56.287 -0.686 0.000 0.952 631 K CB -0.283 31.474 32.500 -1.238 0.000 0.736 631 K HN 0.607 nan 8.250 nan 0.000 0.453 632 W N -1.784 119.527 121.300 0.018 0.000 2.982 632 W HA 0.354 5.014 4.660 -0.000 0.000 0.344 632 W C 0.049 176.643 176.519 0.124 0.000 1.215 632 W CA -0.613 56.830 57.345 0.163 0.000 1.182 632 W CB -0.445 29.035 29.460 0.034 0.000 1.437 632 W HN -0.050 nan 8.180 nan 0.000 0.570 633 T N -0.457 114.344 114.554 0.410 0.000 6.325 633 T HA 0.092 4.442 4.350 -0.000 0.000 0.393 633 T C 0.307 175.058 174.700 0.085 0.000 0.842 633 T CA 1.309 63.510 62.100 0.168 0.000 0.881 633 T CB -1.133 67.771 68.868 0.061 0.000 0.825 633 T HN 1.076 nan 8.240 nan 0.000 0.268 634 E N 0.225 120.272 120.200 -0.255 0.000 9.187 634 E HA -0.093 4.257 4.350 -0.000 0.000 0.441 634 E C 0.302 176.782 176.600 -0.199 0.000 1.402 634 E CA 0.385 56.529 56.400 -0.427 0.000 2.434 634 E CB -1.629 27.761 29.700 -0.517 0.000 1.045 634 E HN 1.955 nan 8.360 nan 0.000 0.401 635 A N 1.110 123.815 122.820 -0.192 0.000 1.991 635 A HA -0.257 4.063 4.320 -0.000 0.000 0.257 635 A C 0.618 178.120 177.584 -0.136 0.000 1.283 635 A CA 1.647 53.605 52.037 -0.132 0.000 0.762 635 A CB -1.273 17.671 19.000 -0.093 0.000 1.135 635 A HN 0.596 nan 8.150 nan 0.000 0.321 636 D N -1.675 118.601 120.400 -0.206 0.000 1.924 636 D HA 0.192 4.832 4.640 -0.000 0.000 0.371 636 D C 0.081 176.116 176.300 -0.443 0.000 1.086 636 D CA 0.981 54.777 54.000 -0.341 0.000 0.982 636 D CB 0.691 41.211 40.800 -0.468 0.000 1.872 636 D HN 1.089 nan 8.370 nan 0.000 0.543 637 V N 1.748 121.452 119.914 -0.350 0.000 3.275 637 V HA -0.181 3.939 4.120 -0.000 0.000 0.466 637 V C -1.050 174.962 176.094 -0.136 0.000 0.682 637 V CA -0.004 62.162 62.300 -0.223 0.000 2.001 637 V CB -0.564 31.129 31.823 -0.216 0.000 2.461 637 V HN 0.228 nan 8.190 nan 0.000 0.497 638 S N 6.147 121.801 115.700 -0.077 0.000 2.422 638 S HA 0.647 5.117 4.470 -0.000 0.000 0.298 638 S C 1.375 175.974 174.600 -0.001 0.000 1.118 638 S CA 0.116 58.287 58.200 -0.049 0.000 1.083 638 S CB 1.695 64.868 63.200 -0.044 0.000 0.971 638 S HN 1.891 nan 8.310 nan 0.000 0.478 639 A N 4.002 126.816 122.820 -0.010 0.000 1.968 639 A HA -0.342 3.978 4.320 -0.000 0.000 0.227 639 A C 2.099 179.737 177.584 0.089 0.000 1.381 639 A CA 2.597 54.654 52.037 0.033 0.000 0.697 639 A CB -1.109 17.896 19.000 0.008 0.000 0.836 639 A HN 0.949 nan 8.150 nan 0.000 0.497 640 N N -0.949 117.784 118.700 0.055 0.000 2.300 640 N HA -0.086 4.654 4.740 -0.000 0.000 0.179 640 N C 1.519 177.070 175.510 0.069 0.000 1.016 640 N CA 1.447 54.533 53.050 0.060 0.000 0.876 640 N CB -0.265 38.242 38.487 0.034 0.000 0.979 640 N HN 0.425 nan 8.380 nan 0.000 0.432 641 I N 1.832 122.439 120.570 0.062 0.000 2.315 641 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 641 I C 2.478 178.660 176.117 0.110 0.000 1.117 641 I CA 1.029 62.369 61.300 0.065 0.000 1.404 641 I CB -1.742 36.280 38.000 0.036 0.000 1.071 641 I HN 0.335 nan 8.210 nan 0.000 0.419 642 H N 1.303 120.385 119.070 0.020 0.000 2.270 642 H HA -0.203 4.353 4.556 -0.000 0.000 0.299 642 H C 1.925 177.286 175.328 0.055 0.000 1.077 642 H CA 1.943 58.010 56.048 0.033 0.000 1.294 642 H CB 0.348 30.121 29.762 0.018 0.000 1.371 642 H HN 0.179 nan 8.280 nan 0.000 0.491 643 E N -0.082 120.182 120.200 0.107 0.000 2.284 643 E HA -0.131 4.219 4.350 -0.000 0.000 0.200 643 E C 2.241 178.877 176.600 0.061 0.000 1.008 643 E CA 0.983 57.429 56.400 0.078 0.000 0.829 643 E CB 0.025 29.790 29.700 0.108 0.000 0.744 643 E HN 0.265 nan 8.360 nan 0.000 0.491 644 V N -0.236 119.714 119.914 0.059 0.000 2.591 644 V HA -0.116 4.004 4.120 -0.000 0.000 0.249 644 V C 1.839 177.954 176.094 0.035 0.000 1.053 644 V CA 1.191 63.538 62.300 0.078 0.000 1.068 644 V CB -0.151 31.738 31.823 0.109 0.000 0.689 644 V HN 0.277 nan 8.190 nan 0.000 0.462 645 L N -1.340 119.874 121.223 -0.015 0.000 2.515 645 L HA 0.297 4.637 4.340 -0.000 0.000 0.223 645 L C 0.407 177.220 176.870 -0.096 0.000 1.079 645 L CA 0.427 55.240 54.840 -0.046 0.000 0.857 645 L CB 0.236 42.282 42.059 -0.021 0.000 1.050 645 L HN 0.272 nan 8.230 nan 0.000 0.476 646 M N -1.289 118.205 119.600 -0.178 0.000 2.518 646 M HA 0.400 4.880 4.480 -0.000 0.000 0.300 646 M C -1.005 175.267 176.300 -0.046 0.000 1.175 646 M CA -0.298 54.889 55.300 -0.188 0.000 0.890 646 M CB 2.518 34.830 32.600 -0.480 0.000 1.710 646 M HN -0.051 nan 8.290 nan 0.000 0.453 647 H N -0.582 118.443 119.070 -0.074 0.000 2.864 647 H HA 0.851 5.407 4.556 -0.000 0.000 0.354 647 H C -1.159 174.179 175.328 0.016 0.000 1.208 647 H CA -0.300 55.736 56.048 -0.022 0.000 1.191 647 H CB 2.721 32.477 29.762 -0.009 0.000 1.889 647 H HN 0.839 nan 8.280 nan 0.000 0.574 648 G N 0.387 108.887 108.800 -0.501 0.000 2.866 648 G HA2 0.486 4.446 3.960 -0.000 0.000 0.289 648 G HA3 0.486 4.446 3.960 -0.000 0.000 0.289 648 G C -1.154 173.645 174.900 -0.169 0.000 1.396 648 G CA -0.408 44.560 45.100 -0.220 0.000 0.848 648 G HN 0.457 nan 8.290 nan 0.000 0.515 649 V N 0.103 119.981 119.914 -0.061 0.000 3.336 649 V HA 0.573 4.693 4.120 -0.000 0.000 0.314 649 V C 1.035 177.109 176.094 -0.033 0.000 1.088 649 V CA -0.269 62.018 62.300 -0.023 0.000 1.033 649 V CB 1.625 33.446 31.823 -0.004 0.000 1.181 649 V HN 1.069 nan 8.190 nan 0.000 0.449 650 S N 0.248 115.943 115.700 -0.008 0.000 2.562 650 S HA 0.124 4.594 4.470 -0.000 0.000 0.281 650 S C 0.766 175.367 174.600 0.002 0.000 1.333 650 S CA -0.442 57.756 58.200 -0.003 0.000 1.052 650 S CB 1.066 64.271 63.200 0.009 0.000 0.884 650 S HN 0.477 nan 8.310 nan 0.000 0.506 651 V N 2.344 122.258 119.914 0.001 0.000 2.970 651 V HA -0.061 4.059 4.120 -0.000 0.000 0.260 651 V C 2.249 178.353 176.094 0.016 0.000 1.100 651 V CA 1.611 63.915 62.300 0.007 0.000 1.122 651 V CB -1.421 30.402 31.823 0.001 0.000 0.721 651 V HN 0.844 nan 8.190 nan 0.000 0.483 652 E N 0.470 120.679 120.200 0.015 0.000 2.107 652 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 652 E C 2.233 178.853 176.600 0.034 0.000 0.982 652 E CA 0.928 57.340 56.400 0.020 0.000 0.809 652 E CB -0.166 29.544 29.700 0.016 0.000 0.756 652 E HN 0.541 nan 8.360 nan 0.000 0.459 653 K N -0.153 120.267 120.400 0.032 0.000 2.001 653 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 653 K C 2.363 179.011 176.600 0.080 0.000 1.048 653 K CA 1.791 58.104 56.287 0.043 0.000 0.932 653 K CB -0.264 32.247 32.500 0.018 0.000 0.715 653 K HN 0.261 nan 8.250 nan 0.000 0.437 654 T N -0.915 113.681 114.554 0.069 0.000 2.833 654 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 654 T C 1.816 176.611 174.700 0.158 0.000 1.054 654 T CA 1.315 63.490 62.100 0.126 0.000 1.135 654 T CB -0.148 68.770 68.868 0.084 0.000 0.869 654 T HN 0.271 nan 8.240 nan 0.000 0.466 655 E N 1.097 121.349 120.200 0.087 0.000 2.051 655 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 655 E C 2.580 179.215 176.600 0.058 0.000 0.991 655 E CA 0.797 57.228 56.400 0.053 0.000 0.799 655 E CB -0.042 29.673 29.700 0.025 0.000 0.748 655 E HN 0.532 nan 8.360 nan 0.000 0.449 656 R N -0.399 120.148 120.500 0.078 0.000 2.091 656 R HA -0.175 4.164 4.340 -0.000 0.000 0.238 656 R C 2.305 178.677 176.300 0.118 0.000 1.136 656 R CA 1.679 57.827 56.100 0.079 0.000 0.959 656 R CB -0.503 29.848 30.300 0.085 0.000 0.856 656 R HN 0.236 nan 8.270 nan 0.000 0.437 657 F N 1.451 121.416 119.950 0.024 0.000 2.051 657 F HA -0.172 4.355 4.527 -0.000 0.000 0.296 657 F C 2.019 177.834 175.800 0.026 0.000 1.122 657 F CA 1.371 59.406 58.000 0.057 0.000 1.201 657 F CB -0.439 38.601 39.000 0.067 0.000 0.978 657 F HN -0.119 nan 8.300 nan 0.000 0.472 658 L N 0.381 121.567 121.223 -0.062 0.000 2.064 658 L HA -0.325 4.015 4.340 -0.000 0.000 0.216 658 L C 2.614 179.306 176.870 -0.297 0.000 1.077 658 L CA 2.162 56.854 54.840 -0.246 0.000 0.766 658 L CB -1.014 40.989 42.059 -0.094 0.000 0.890 658 L HN 0.267 nan 8.230 nan 0.000 0.435 659 R N -0.193 120.209 120.500 -0.163 0.000 2.083 659 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 659 R C 2.410 178.609 176.300 -0.168 0.000 1.137 659 R CA 1.891 57.906 56.100 -0.142 0.000 0.951 659 R CB -0.368 29.894 30.300 -0.064 0.000 0.851 659 R HN 0.522 nan 8.270 nan 0.000 0.434 660 S N -0.476 115.145 115.700 -0.132 0.000 2.481 660 S HA -0.025 4.445 4.470 -0.000 0.000 0.231 660 S C 1.846 176.351 174.600 -0.159 0.000 0.996 660 S CA 0.831 59.017 58.200 -0.023 0.000 0.942 660 S CB 0.120 63.428 63.200 0.181 0.000 0.768 660 S HN 0.058 nan 8.310 nan 0.000 0.520 661 V N 0.922 120.560 119.914 -0.460 0.000 2.627 661 V HA 0.249 4.369 4.120 -0.000 0.000 0.239 661 V C 1.407 176.990 176.094 -0.852 0.000 1.077 661 V CA 0.502 62.339 62.300 -0.771 0.000 1.103 661 V CB -0.477 30.688 31.823 -1.096 0.000 0.802 661 V HN 0.416 nan 8.190 nan 0.000 0.482 662 M N 1.240 120.341 119.600 -0.831 0.000 2.240 662 M HA 0.177 4.657 4.480 -0.000 0.000 0.317 662 M C -2.275 173.638 176.300 -0.646 0.000 1.087 662 M CA -1.015 53.710 55.300 -0.959 0.000 1.176 662 M CB 0.044 32.289 32.600 -0.592 0.000 1.439 662 M HN 0.055 nan 8.290 nan 0.000 0.452 663 P HA 0.106 nan 4.420 nan 0.000 0.271 663 P C -0.381 176.801 177.300 -0.196 0.000 1.216 663 P CA -0.167 62.754 63.100 -0.298 0.000 0.771 663 P CB 0.378 31.967 31.700 -0.185 0.000 0.864 664 R N 0.000 120.417 120.500 -0.139 0.000 2.786 664 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 664 R CA 0.000 56.044 56.100 -0.094 0.000 0.921 664 R CB 0.000 30.264 30.300 -0.059 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535