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 1hhs_1_A 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 EHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YVASMARQAG LAELTPIDLE 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 0.000 177.273 177.300 -0.044 0.000 1.155 1 P CA 0.000 63.075 63.100 -0.042 0.000 0.800 1 P CB 0.000 31.673 31.700 -0.045 0.000 0.726 2 R N 0.755 121.228 120.500 -0.046 0.000 1.712 2 R HA -0.068 4.753 4.340 0.803 0.000 0.399 2 R C -0.072 176.189 176.300 -0.066 0.000 1.166 2 R CA 0.111 56.184 56.100 -0.046 0.000 0.748 2 R CB -0.651 29.631 30.300 -0.032 0.000 2.558 2 R HN 0.497 nan 8.270 nan 0.000 0.492 3 R N 1.904 122.359 120.500 -0.075 0.000 2.490 3 R HA 0.654 5.476 4.340 0.803 0.000 0.280 3 R C 0.165 176.412 176.300 -0.088 0.000 1.077 3 R CA 0.025 56.062 56.100 -0.105 0.000 1.065 3 R CB 1.035 31.264 30.300 -0.118 0.000 1.003 3 R HN 0.463 nan 8.270 nan 0.000 0.470 4 A N 4.593 127.354 122.820 -0.099 0.000 2.425 4 A HA 0.341 5.142 4.320 0.803 0.000 0.249 4 A C -1.900 175.636 177.584 -0.079 0.000 1.084 4 A CA -1.535 50.464 52.037 -0.063 0.000 0.781 4 A CB -0.203 18.768 19.000 -0.047 0.000 1.019 4 A HN 0.785 nan 8.150 nan 0.000 0.490 5 P HA 0.418 nan 4.420 nan 0.000 0.271 5 P C -0.662 176.470 177.300 -0.280 0.000 1.218 5 P CA 0.056 63.038 63.100 -0.197 0.000 0.780 5 P CB 1.255 32.879 31.700 -0.127 0.000 0.901 6 A N 2.388 124.925 122.820 -0.470 0.000 2.414 6 A HA 0.763 5.565 4.320 0.803 0.000 0.306 6 A C -1.371 175.857 177.584 -0.593 0.000 1.054 6 A CA -0.533 51.351 52.037 -0.255 0.000 0.724 6 A CB 0.879 19.992 19.000 0.189 0.000 1.267 6 A HN 0.368 nan 8.150 nan 0.000 0.418 7 F N 2.516 122.566 119.950 0.166 0.000 2.529 7 F HA 0.561 5.569 4.527 0.803 0.000 0.320 7 F C -2.129 173.770 175.800 0.164 0.000 1.118 7 F CA -2.210 55.876 58.000 0.143 0.000 0.915 7 F CB 2.264 41.348 39.000 0.140 0.000 1.161 7 F HN 0.347 nan 8.300 nan 0.000 0.445 8 P HA 0.027 nan 4.420 nan 0.000 0.274 8 P C 0.825 178.309 177.300 0.306 0.000 1.246 8 P CA -0.358 62.880 63.100 0.231 0.000 0.795 8 P CB 1.383 33.168 31.700 0.143 0.000 1.006 9 L N 2.699 124.118 121.223 0.328 0.000 2.081 9 L HA -0.222 4.600 4.340 0.803 0.000 0.212 9 L C 2.361 179.370 176.870 0.232 0.000 1.080 9 L CA 2.711 57.767 54.840 0.361 0.000 0.754 9 L CB -1.640 40.617 42.059 0.329 0.000 0.893 9 L HN 0.487 nan 8.230 nan 0.000 0.433 10 S N -1.928 113.875 115.700 0.172 0.000 2.442 10 S HA -0.151 4.801 4.470 0.803 0.000 0.236 10 S C 1.075 175.754 174.600 0.132 0.000 1.007 10 S CA 0.421 58.695 58.200 0.124 0.000 0.965 10 S CB -0.899 62.356 63.200 0.092 0.000 0.773 10 S HN 0.628 nan 8.310 nan 0.000 0.504 11 D N 0.857 121.360 120.400 0.172 0.000 2.443 11 D HA 0.037 5.159 4.640 0.803 0.000 0.239 11 D C 1.152 177.516 176.300 0.108 0.000 1.136 11 D CA -0.112 53.984 54.000 0.160 0.000 0.879 11 D CB 0.773 41.724 40.800 0.251 0.000 1.195 11 D HN 0.149 nan 8.370 nan 0.000 0.443 12 I N 4.378 124.986 120.570 0.063 0.000 2.315 12 I HA -0.258 4.394 4.170 0.803 0.000 0.251 12 I C 2.054 178.161 176.117 -0.017 0.000 1.125 12 I CA 1.617 62.936 61.300 0.032 0.000 1.392 12 I CB -0.024 37.987 38.000 0.018 0.000 1.065 12 I HN 0.400 nan 8.210 nan 0.000 0.424 13 K N 0.186 120.521 120.400 -0.109 0.000 2.147 13 K HA -0.079 4.723 4.320 0.803 0.000 0.205 13 K C 2.102 178.632 176.600 -0.116 0.000 1.049 13 K CA 1.322 57.468 56.287 -0.234 0.000 0.936 13 K CB -0.284 31.832 32.500 -0.640 0.000 0.722 13 K HN 0.486 nan 8.250 nan 0.000 0.446 14 A N 0.903 123.746 122.820 0.038 0.000 1.898 14 A HA -0.110 4.692 4.320 0.803 0.000 0.214 14 A C 2.020 179.725 177.584 0.203 0.000 1.183 14 A CA 0.770 52.920 52.037 0.188 0.000 0.622 14 A CB -0.183 19.054 19.000 0.395 0.000 0.824 14 A HN 0.126 nan 8.150 nan 0.000 0.444 15 Q N -0.561 119.350 119.800 0.185 0.000 2.152 15 Q HA -0.150 4.672 4.340 0.803 0.000 0.206 15 Q C 1.951 178.045 176.000 0.156 0.000 0.985 15 Q CA 1.265 57.191 55.803 0.206 0.000 0.863 15 Q CB -0.441 28.374 28.738 0.128 0.000 0.904 15 Q HN 0.573 nan 8.270 nan 0.000 0.422 16 M N 0.029 119.666 119.600 0.062 0.000 2.549 16 M HA -0.063 4.898 4.480 0.803 0.000 0.260 16 M C 1.822 178.126 176.300 0.008 0.000 1.076 16 M CA 0.790 56.123 55.300 0.054 0.000 1.090 16 M CB -0.457 32.175 32.600 0.053 0.000 1.418 16 M HN 0.172 nan 8.290 nan 0.000 0.486 17 L N -1.441 119.653 121.223 -0.216 0.000 2.492 17 L HA 0.018 4.840 4.340 0.803 0.000 0.223 17 L C -0.186 176.220 176.870 -0.773 0.000 1.132 17 L CA 0.241 54.742 54.840 -0.566 0.000 0.850 17 L CB -0.204 41.268 42.059 -0.980 0.000 0.966 17 L HN 0.039 nan 8.230 nan 0.000 0.454 18 F N 0.072 120.037 119.950 0.025 0.000 2.460 18 F HA 0.571 5.580 4.527 0.803 0.000 0.341 18 F C 0.645 176.460 175.800 0.025 0.000 1.130 18 F CA -1.039 56.978 58.000 0.029 0.000 0.962 18 F CB 0.803 39.763 39.000 -0.066 0.000 1.171 18 F HN -0.221 nan 8.300 nan 0.000 0.436 19 A N 1.860 124.775 122.820 0.159 0.000 2.429 19 A HA 0.103 4.905 4.320 0.803 0.000 0.242 19 A C 0.559 178.238 177.584 0.160 0.000 1.088 19 A CA -0.378 51.738 52.037 0.132 0.000 0.784 19 A CB 0.116 19.234 19.000 0.198 0.000 1.038 19 A HN 0.767 nan 8.150 nan 0.000 0.501 20 N N 0.744 119.524 118.700 0.133 0.000 3.193 20 N HA 0.139 5.361 4.740 0.803 0.000 0.312 20 N C -0.807 174.760 175.510 0.094 0.000 1.261 20 N CA 0.057 53.166 53.050 0.098 0.000 1.208 20 N CB -0.903 37.629 38.487 0.075 0.000 1.471 20 N HN 0.720 nan 8.380 nan 0.000 0.548 21 N N -0.845 117.917 118.700 0.103 0.000 2.416 21 N HA 0.275 5.497 4.740 0.803 0.000 0.276 21 N C 0.524 176.067 175.510 0.055 0.000 1.261 21 N CA -0.812 52.287 53.050 0.082 0.000 0.790 21 N CB 0.762 39.314 38.487 0.107 0.000 1.554 21 N HN -0.256 nan 8.380 nan 0.000 0.481 22 I N 0.254 120.843 120.570 0.031 0.000 2.208 22 I HA -0.189 4.463 4.170 0.803 0.000 0.245 22 I C 1.834 177.942 176.117 -0.014 0.000 1.097 22 I CA 1.283 62.585 61.300 0.003 0.000 1.363 22 I CB -1.007 36.994 38.000 0.000 0.000 1.051 22 I HN 0.637 nan 8.210 nan 0.000 0.413 23 K N 1.111 121.519 120.400 0.014 0.000 2.026 23 K HA -0.105 4.697 4.320 0.803 0.000 0.208 23 K C 2.210 178.758 176.600 -0.086 0.000 1.048 23 K CA 1.610 57.897 56.287 0.001 0.000 0.929 23 K CB -0.436 32.111 32.500 0.080 0.000 0.713 23 K HN 0.325 nan 8.250 nan 0.000 0.439 24 A N 1.692 124.517 122.820 0.008 0.000 1.898 24 A HA -0.166 4.636 4.320 0.803 0.000 0.216 24 A C 2.203 179.652 177.584 -0.226 0.000 1.181 24 A CA 1.164 53.165 52.037 -0.060 0.000 0.620 24 A CB -0.290 18.896 19.000 0.309 0.000 0.819 24 A HN 0.225 nan 8.150 nan 0.000 0.442 25 Q N -0.155 119.575 119.800 -0.118 0.000 2.084 25 Q HA -0.216 4.606 4.340 0.803 0.000 0.202 25 Q C 2.145 177.988 176.000 -0.263 0.000 0.978 25 Q CA 1.845 57.538 55.803 -0.183 0.000 0.844 25 Q CB -0.497 28.192 28.738 -0.080 0.000 0.898 25 Q HN 0.821 nan 8.270 nan 0.000 0.426 26 Q N -0.109 119.570 119.800 -0.201 0.000 2.124 26 Q HA -0.069 4.753 4.340 0.803 0.000 0.202 26 Q C 2.012 177.874 176.000 -0.231 0.000 0.977 26 Q CA 1.304 57.005 55.803 -0.170 0.000 0.850 26 Q CB -0.146 28.528 28.738 -0.106 0.000 0.901 26 Q HN 0.381 nan 8.270 nan 0.000 0.429 27 A N 0.933 123.505 122.820 -0.413 0.000 1.969 27 A HA -0.194 4.608 4.320 0.803 0.000 0.218 27 A C 2.240 179.607 177.584 -0.362 0.000 1.169 27 A CA 1.672 53.420 52.037 -0.482 0.000 0.635 27 A CB -0.614 17.596 19.000 -1.317 0.000 0.810 27 A HN 0.457 nan 8.150 nan 0.000 0.445 28 S N 0.030 115.241 115.700 -0.816 0.000 2.382 28 S HA -0.140 4.812 4.470 0.803 0.000 0.228 28 S C 1.626 176.106 174.600 -0.200 0.000 1.027 28 S CA 1.527 59.047 58.200 -1.132 0.000 0.991 28 S CB -0.296 61.739 63.200 -1.942 0.000 0.823 28 S HN 0.623 nan 8.310 nan 0.000 0.469 29 K N 0.401 120.706 120.400 -0.159 0.000 2.367 29 K HA 0.247 5.049 4.320 0.803 0.000 0.194 29 K C 0.612 177.244 176.600 0.053 0.000 1.027 29 K CA -0.345 55.903 56.287 -0.066 0.000 1.075 29 K CB 0.125 32.541 32.500 -0.140 0.000 0.845 29 K HN 0.244 nan 8.250 nan 0.000 0.529 30 R N 2.711 123.288 120.500 0.128 0.000 2.485 30 R HA -0.066 4.756 4.340 0.803 0.000 0.304 30 R C -0.070 176.408 176.300 0.298 0.000 0.934 30 R CA 0.216 56.411 56.100 0.157 0.000 1.102 30 R CB 0.204 30.588 30.300 0.141 0.000 0.906 30 R HN 0.120 nan 8.270 nan 0.000 0.407 31 S N 4.174 119.992 115.700 0.196 0.000 2.681 31 S HA 0.233 5.185 4.470 0.803 0.000 0.270 31 S C -0.012 174.724 174.600 0.227 0.000 1.209 31 S CA -0.924 57.429 58.200 0.255 0.000 0.988 31 S CB 0.561 63.864 63.200 0.172 0.000 1.006 31 S HN 0.525 nan 8.310 nan 0.000 0.558 32 F N 1.356 121.379 119.950 0.122 0.000 2.623 32 F HA 0.408 5.417 4.527 0.803 0.000 0.383 32 F C 0.171 176.019 175.800 0.080 0.000 1.077 32 F CA 0.543 58.593 58.000 0.082 0.000 1.268 32 F CB 0.197 39.240 39.000 0.072 0.000 1.053 32 F HN 0.542 nan 8.300 nan 0.000 0.571 33 K N 4.959 124.969 120.400 -0.650 0.000 2.422 33 K HA 0.426 5.227 4.320 0.803 0.000 0.251 33 K C -1.401 174.813 176.600 -0.643 0.000 0.933 33 K CA -0.740 55.289 56.287 -0.429 0.000 0.798 33 K CB 1.779 34.150 32.500 -0.215 0.000 1.238 33 K HN 0.739 nan 8.250 nan 0.000 0.428 34 E N 0.782 120.755 120.200 -0.379 0.000 2.430 34 E HA 0.838 5.670 4.350 0.803 0.000 0.279 34 E C -0.732 175.577 176.600 -0.485 0.000 1.003 34 E CA -1.563 54.599 56.400 -0.398 0.000 0.801 34 E CB 1.980 31.607 29.700 -0.121 0.000 1.313 34 E HN 0.582 nan 8.360 nan 0.000 0.459 35 G N -0.327 107.907 108.800 -0.944 0.000 2.361 35 G HA2 0.472 4.914 3.960 0.803 0.000 0.299 35 G HA3 0.472 4.914 3.960 0.803 0.000 0.299 35 G C -1.248 173.052 174.900 -1.001 0.000 1.544 35 G CA -0.471 44.056 45.100 -0.956 0.000 0.860 35 G HN 0.738 nan 8.290 nan 0.000 0.610 36 A N 0.344 122.823 122.820 -0.569 0.000 2.498 36 A HA 0.574 5.376 4.320 0.803 0.000 0.239 36 A C 0.937 178.428 177.584 -0.155 0.000 1.068 36 A CA 0.358 52.278 52.037 -0.195 0.000 0.766 36 A CB -0.270 18.791 19.000 0.102 0.000 1.003 36 A HN 1.801 nan 8.150 nan 0.000 0.497 37 I N -0.809 119.708 120.570 -0.089 0.000 2.713 37 I HA 0.423 5.075 4.170 0.803 0.000 0.300 37 I C 0.360 176.454 176.117 -0.037 0.000 1.009 37 I CA -0.579 60.682 61.300 -0.065 0.000 1.305 37 I CB 1.057 39.031 38.000 -0.044 0.000 1.430 37 I HN 0.712 nan 8.210 nan 0.000 0.546 38 E N 3.148 123.321 120.200 -0.045 0.000 1.893 38 E HA 0.116 4.948 4.350 0.803 0.000 0.269 38 E C 0.381 176.926 176.600 -0.091 0.000 1.129 38 E CA -0.177 56.195 56.400 -0.046 0.000 0.904 38 E CB 0.521 30.202 29.700 -0.032 0.000 1.077 38 E HN 0.826 nan 8.360 nan 0.000 0.407 39 T N 3.546 118.021 114.554 -0.132 0.000 2.665 39 T HA -0.171 4.661 4.350 0.803 0.000 0.268 39 T C -0.176 174.173 174.700 -0.584 0.000 1.035 39 T CA 1.557 63.483 62.100 -0.290 0.000 1.151 39 T CB -0.087 68.604 68.868 -0.294 0.000 0.862 39 T HN 0.363 nan 8.240 nan 0.000 0.438 40 Y N -0.274 120.023 120.300 -0.004 0.000 2.615 40 Y HA 0.391 5.422 4.550 0.803 0.000 0.341 40 Y C -0.216 175.692 175.900 0.013 0.000 1.089 40 Y CA -1.786 56.330 58.100 0.026 0.000 1.049 40 Y CB 1.119 39.644 38.460 0.108 0.000 1.296 40 Y HN -0.056 nan 8.280 nan 0.000 0.470 41 E N 0.698 121.007 120.200 0.181 0.000 2.652 41 E HA 0.238 5.070 4.350 0.803 0.000 0.255 41 E C 0.781 177.439 176.600 0.095 0.000 0.952 41 E CA 1.452 57.907 56.400 0.092 0.000 0.947 41 E CB 0.014 29.751 29.700 0.062 0.000 0.912 41 E HN 0.895 nan 8.360 nan 0.000 0.489 42 G N 3.216 112.049 108.800 0.054 0.000 2.162 42 G HA2 -0.289 4.153 3.960 0.803 0.000 0.260 42 G HA3 -0.289 4.153 3.960 0.803 0.000 0.260 42 G C -0.043 174.881 174.900 0.040 0.000 0.976 42 G CA -0.043 45.084 45.100 0.044 0.000 0.655 42 G HN 0.470 nan 8.290 nan 0.000 0.533 43 L N 0.998 122.244 121.223 0.038 0.000 2.404 43 L HA 0.597 5.419 4.340 0.803 0.000 0.272 43 L C 0.174 177.018 176.870 -0.042 0.000 0.980 43 L CA -0.851 53.988 54.840 -0.002 0.000 0.836 43 L CB 1.204 43.252 42.059 -0.018 0.000 1.238 43 L HN 0.077 nan 8.230 nan 0.000 0.408 44 L N 2.914 124.130 121.223 -0.013 0.000 2.375 44 L HA 0.260 5.082 4.340 0.803 0.000 0.271 44 L C 1.635 178.532 176.870 0.044 0.000 1.107 44 L CA -0.258 54.589 54.840 0.012 0.000 0.806 44 L CB 1.758 43.845 42.059 0.047 0.000 1.146 44 L HN 0.747 nan 8.230 nan 0.000 0.447 45 S N 0.809 116.575 115.700 0.110 0.000 2.469 45 S HA -0.109 4.842 4.470 0.803 0.000 0.238 45 S C 1.109 175.955 174.600 0.410 0.000 0.998 45 S CA 0.842 59.232 58.200 0.317 0.000 0.957 45 S CB -0.390 62.993 63.200 0.305 0.000 0.764 45 S HN 0.631 nan 8.310 nan 0.000 0.514 46 V N -1.437 118.634 119.914 0.260 0.000 3.376 46 V HA 0.288 4.890 4.120 0.803 0.000 0.313 46 V C 0.309 176.470 176.094 0.111 0.000 1.393 46 V CA -0.504 61.906 62.300 0.184 0.000 1.125 46 V CB -0.681 31.242 31.823 0.166 0.000 1.037 46 V HN 0.293 nan 8.190 nan 0.000 0.440 47 D N 2.425 122.914 120.400 0.149 0.000 2.531 47 D HA 0.037 5.159 4.640 0.803 0.000 0.239 47 D C -1.374 174.941 176.300 0.025 0.000 1.144 47 D CA -0.759 53.291 54.000 0.084 0.000 0.869 47 D CB 1.994 42.865 40.800 0.117 0.000 1.160 47 D HN 0.166 nan 8.370 nan 0.000 0.484 48 P HA -0.138 nan 4.420 nan 0.000 0.216 48 P C 1.034 178.213 177.300 -0.201 0.000 1.150 48 P CA 1.358 64.376 63.100 -0.136 0.000 0.843 48 P CB 0.256 31.879 31.700 -0.129 0.000 0.787 49 R N -1.958 118.375 120.500 -0.278 0.000 2.075 49 R HA -0.085 4.737 4.340 0.803 0.000 0.232 49 R C 2.159 178.166 176.300 -0.490 0.000 1.126 49 R CA 1.049 56.801 56.100 -0.579 0.000 0.963 49 R CB -1.434 28.175 30.300 -1.151 0.000 0.858 49 R HN 0.155 nan 8.270 nan 0.000 0.435 50 F N 1.242 120.995 119.950 -0.329 0.000 2.134 50 F HA -0.077 4.932 4.527 0.803 0.000 0.299 50 F C 1.653 177.495 175.800 0.070 0.000 1.097 50 F CA 1.325 59.339 58.000 0.022 0.000 1.264 50 F CB -0.195 38.924 39.000 0.198 0.000 1.001 50 F HN -0.100 nan 8.300 nan 0.000 0.479 51 L N -1.172 119.994 121.223 -0.095 0.000 2.093 51 L HA -0.192 4.629 4.340 0.803 0.000 0.208 51 L C 2.694 179.400 176.870 -0.273 0.000 1.085 51 L CA 1.424 56.055 54.840 -0.348 0.000 0.755 51 L CB -1.048 40.648 42.059 -0.606 0.000 0.904 51 L HN 0.174 nan 8.230 nan 0.000 0.435 52 S N 0.011 115.582 115.700 -0.215 0.000 2.368 52 S HA -0.214 4.738 4.470 0.803 0.000 0.224 52 S C 1.981 176.527 174.600 -0.090 0.000 1.029 52 S CA 1.114 59.222 58.200 -0.154 0.000 0.988 52 S CB -0.320 62.773 63.200 -0.179 0.000 0.838 52 S HN 0.425 nan 8.310 nan 0.000 0.462 53 F N 2.136 121.937 119.950 -0.248 0.000 2.069 53 F HA -0.023 4.985 4.527 0.803 0.000 0.298 53 F C 2.083 177.784 175.800 -0.165 0.000 1.113 53 F CA 1.859 59.739 58.000 -0.201 0.000 1.214 53 F CB -0.494 38.387 39.000 -0.199 0.000 0.978 53 F HN 0.120 nan 8.300 nan 0.000 0.474 54 K N 0.017 120.206 120.400 -0.353 0.000 2.097 54 K HA -0.228 4.574 4.320 0.803 0.000 0.206 54 K C 1.923 178.457 176.600 -0.110 0.000 1.049 54 K CA 1.525 57.605 56.287 -0.344 0.000 0.933 54 K CB -0.478 31.983 32.500 -0.066 0.000 0.717 54 K HN 0.362 nan 8.250 nan 0.000 0.442 55 N N 1.372 120.118 118.700 0.076 0.000 2.084 55 N HA -0.214 5.008 4.740 0.803 0.000 0.190 55 N C 1.748 177.276 175.510 0.031 0.000 1.030 55 N CA 1.564 54.684 53.050 0.117 0.000 0.849 55 N CB 0.038 38.627 38.487 0.170 0.000 1.012 55 N HN 0.190 nan 8.380 nan 0.000 0.423 56 E N -0.628 119.548 120.200 -0.041 0.000 2.051 56 E HA -0.184 4.648 4.350 0.803 0.000 0.192 56 E C 1.934 178.508 176.600 -0.044 0.000 0.991 56 E CA 0.999 57.384 56.400 -0.024 0.000 0.799 56 E CB -0.192 29.478 29.700 -0.051 0.000 0.748 56 E HN 0.378 nan 8.360 nan 0.000 0.449 57 L N 0.986 122.058 121.223 -0.252 0.000 2.017 57 L HA -0.185 4.637 4.340 0.803 0.000 0.208 57 L C 2.519 179.348 176.870 -0.069 0.000 1.073 57 L CA 2.445 57.128 54.840 -0.263 0.000 0.745 57 L CB -0.726 40.923 42.059 -0.684 0.000 0.894 57 L HN 0.205 nan 8.230 nan 0.000 0.432 58 S N -0.718 114.965 115.700 -0.028 0.000 2.383 58 S HA -0.242 4.710 4.470 0.803 0.000 0.229 58 S C 2.135 176.911 174.600 0.294 0.000 1.030 58 S CA 1.251 59.543 58.200 0.154 0.000 1.002 58 S CB -0.685 62.666 63.200 0.253 0.000 0.829 58 S HN 0.526 nan 8.310 nan 0.000 0.467 59 R N -0.512 120.206 120.500 0.364 0.000 2.075 59 R HA 0.007 4.829 4.340 0.803 0.000 0.232 59 R C 2.340 178.809 176.300 0.283 0.000 1.126 59 R CA 1.535 57.902 56.100 0.445 0.000 0.963 59 R CB -0.594 29.918 30.300 0.354 0.000 0.858 59 R HN 0.573 nan 8.270 nan 0.000 0.435 60 Y N 1.555 121.926 120.300 0.118 0.000 2.114 60 Y HA -0.188 4.844 4.550 0.803 0.000 0.284 60 Y C 1.961 177.938 175.900 0.129 0.000 1.143 60 Y CA 1.555 59.732 58.100 0.128 0.000 1.135 60 Y CB -0.220 38.254 38.460 0.023 0.000 0.980 60 Y HN -0.065 nan 8.280 nan 0.000 0.499 61 L N -0.981 120.295 121.223 0.089 0.000 2.046 61 L HA -0.246 4.576 4.340 0.803 0.000 0.208 61 L C 2.318 179.150 176.870 -0.063 0.000 1.077 61 L CA 1.844 56.586 54.840 -0.164 0.000 0.747 61 L CB -1.019 40.465 42.059 -0.959 0.000 0.896 61 L HN 0.232 nan 8.230 nan 0.000 0.432 62 T N -1.200 113.384 114.554 0.050 0.000 2.746 62 T HA -0.209 4.623 4.350 0.803 0.000 0.267 62 T C 1.624 176.332 174.700 0.012 0.000 1.039 62 T CA 1.421 63.585 62.100 0.108 0.000 1.142 62 T CB -0.222 68.490 68.868 -0.260 0.000 0.866 62 T HN 0.320 nan 8.240 nan 0.000 0.444 63 D N 0.367 120.738 120.400 -0.048 0.000 2.084 63 D HA -0.106 5.016 4.640 0.803 0.000 0.194 63 D C 1.893 177.932 176.300 -0.435 0.000 0.990 63 D CA 1.303 55.184 54.000 -0.199 0.000 0.826 63 D CB -0.077 40.591 40.800 -0.220 0.000 0.971 63 D HN 0.486 nan 8.370 nan 0.000 0.453 64 H N -2.000 116.757 119.070 -0.522 0.000 2.512 64 H HA 0.118 5.156 4.556 0.803 0.000 0.279 64 H C -0.029 174.685 175.328 -1.023 0.000 0.999 64 H CA 0.460 55.994 56.048 -0.857 0.000 1.283 64 H CB 0.147 29.126 29.762 -1.305 0.000 1.421 64 H HN 0.032 nan 8.280 nan 0.000 0.554 65 F N 1.870 121.833 119.950 0.021 0.000 2.622 65 F HA 0.288 5.297 4.527 0.803 0.000 0.338 65 F C -2.429 173.458 175.800 0.146 0.000 1.334 65 F CA -2.988 55.071 58.000 0.098 0.000 1.179 65 F CB 0.776 39.861 39.000 0.141 0.000 1.471 65 F HN -0.101 nan 8.300 nan 0.000 0.576 66 P HA 0.136 nan 4.420 nan 0.000 0.269 66 P C -0.011 177.342 177.300 0.089 0.000 1.209 66 P CA -0.074 63.080 63.100 0.091 0.000 0.776 66 P CB 1.107 32.824 31.700 0.028 0.000 0.876 67 A N 3.357 126.205 122.820 0.047 0.000 2.561 67 A HA -0.007 4.795 4.320 0.803 0.000 0.234 67 A C 0.360 177.915 177.584 -0.049 0.000 1.055 67 A CA 0.179 52.219 52.037 0.005 0.000 0.756 67 A CB -0.884 18.134 19.000 0.031 0.000 0.986 67 A HN 0.637 nan 8.150 nan 0.000 0.505 68 N N 1.096 119.678 118.700 -0.198 0.000 2.851 68 N HA 0.432 5.654 4.740 0.803 0.000 0.248 68 N C -1.545 173.630 175.510 -0.559 0.000 1.221 68 N CA -0.287 52.402 53.050 -0.603 0.000 0.847 68 N CB 1.370 39.244 38.487 -1.021 0.000 1.150 68 N HN 0.355 nan 8.380 nan 0.000 0.507 69 V N 1.519 121.386 119.914 -0.077 0.000 2.531 69 V HA 0.191 4.793 4.120 0.803 0.000 0.301 69 V C -0.149 176.107 176.094 0.269 0.000 1.034 69 V CA -0.962 61.373 62.300 0.058 0.000 0.865 69 V CB 1.715 33.435 31.823 -0.172 0.000 0.995 69 V HN 0.525 nan 8.190 nan 0.000 0.424 70 D N 2.925 123.522 120.400 0.329 0.000 2.447 70 D HA 0.152 5.274 4.640 0.803 0.000 0.265 70 D C 0.862 177.230 176.300 0.113 0.000 1.250 70 D CA -0.496 53.629 54.000 0.207 0.000 1.046 70 D CB 0.815 41.671 40.800 0.093 0.000 1.095 70 D HN 0.433 nan 8.370 nan 0.000 0.555 71 E N -1.411 118.815 120.200 0.043 0.000 2.267 71 E HA -0.153 4.679 4.350 0.803 0.000 0.197 71 E C 0.627 177.034 176.600 -0.322 0.000 0.998 71 E CA 1.126 57.465 56.400 -0.102 0.000 0.830 71 E CB -0.510 29.077 29.700 -0.189 0.000 0.751 71 E HN 0.479 nan 8.360 nan 0.000 0.491 72 Y N -0.609 119.579 120.300 -0.186 0.000 2.524 72 Y HA 0.300 5.332 4.550 0.805 0.000 0.266 72 Y C 1.468 177.308 175.900 -0.100 0.000 1.180 72 Y CA 0.116 57.997 58.100 -0.366 0.000 1.244 72 Y CB 0.671 38.841 38.460 -0.483 0.000 1.125 72 Y HN 0.100 nan 8.280 nan 0.000 0.524 73 G N 1.019 109.921 108.800 0.170 0.000 2.153 73 G HA2 -0.336 4.105 3.960 0.803 0.000 0.252 73 G HA3 -0.336 4.105 3.960 0.803 0.000 0.252 73 G C 0.081 175.100 174.900 0.199 0.000 0.994 73 G CA -0.202 45.057 45.100 0.264 0.000 0.698 73 G HN 0.342 nan 8.290 nan 0.000 0.521 74 R N -0.497 120.109 120.500 0.176 0.000 2.349 74 R HA 0.586 5.408 4.340 0.803 0.000 0.299 74 R C 0.345 176.791 176.300 0.243 0.000 1.027 74 R CA -0.725 55.483 56.100 0.180 0.000 0.958 74 R CB 1.764 31.987 30.300 -0.129 0.000 1.047 74 R HN 0.086 nan 8.270 nan 0.000 0.468 75 V N 4.256 124.331 119.914 0.269 0.000 2.546 75 V HA 0.300 4.902 4.120 0.803 0.000 0.284 75 V C -0.344 175.919 176.094 0.282 0.000 1.050 75 V CA -0.167 62.233 62.300 0.167 0.000 0.981 75 V CB 0.071 31.946 31.823 0.087 0.000 0.990 75 V HN 0.779 nan 8.190 nan 0.000 0.474 76 Y N 1.679 122.052 120.300 0.122 0.000 2.889 76 Y HA 0.866 5.898 4.550 0.802 0.000 0.317 76 Y C 0.914 176.874 175.900 0.100 0.000 1.414 76 Y CA -0.357 57.815 58.100 0.121 0.000 1.091 76 Y CB 0.643 39.169 38.460 0.109 0.000 1.358 76 Y HN 0.971 nan 8.280 nan 0.000 0.487 77 G N 1.688 110.635 108.800 0.244 0.000 2.672 77 G HA2 -0.500 3.942 3.960 0.803 0.000 0.332 77 G HA3 -0.500 3.942 3.960 0.803 0.000 0.332 77 G C 0.823 175.755 174.900 0.053 0.000 1.213 77 G CA 1.209 46.393 45.100 0.140 0.000 0.980 77 G HN 1.489 nan 8.290 nan 0.000 0.548 78 N N 2.279 120.988 118.700 0.015 0.000 2.550 78 N HA 0.252 5.474 4.740 0.803 0.000 0.186 78 N C 1.705 177.240 175.510 0.042 0.000 1.110 78 N CA 1.166 54.258 53.050 0.070 0.000 0.912 78 N CB -0.120 38.466 38.487 0.165 0.000 0.968 78 N HN 2.160 nan 8.380 nan 0.000 0.448 79 G N 0.124 108.920 108.800 -0.007 0.000 2.153 79 G HA2 -0.265 4.176 3.960 0.803 0.000 0.252 79 G HA3 -0.265 4.176 3.960 0.803 0.000 0.252 79 G C -0.141 174.770 174.900 0.020 0.000 0.994 79 G CA 0.294 45.403 45.100 0.015 0.000 0.698 79 G HN 0.258 nan 8.290 nan 0.000 0.521 80 V N 0.553 120.469 119.914 0.003 0.000 2.439 80 V HA 0.527 5.129 4.120 0.803 0.000 0.282 80 V C 1.345 177.405 176.094 -0.057 0.000 1.039 80 V CA 0.131 62.429 62.300 -0.003 0.000 0.913 80 V CB 1.489 33.370 31.823 0.096 0.000 0.983 80 V HN 0.542 nan 8.190 nan 0.000 0.460 81 R N 1.933 122.387 120.500 -0.077 0.000 2.373 81 R HA 0.378 5.200 4.340 0.803 0.000 0.221 81 R C 0.106 176.402 176.300 -0.006 0.000 0.893 81 R CA -0.055 56.025 56.100 -0.034 0.000 1.049 81 R CB 0.420 30.720 30.300 -0.001 0.000 1.119 81 R HN 0.655 nan 8.270 nan 0.000 0.535 82 T N 0.285 114.761 114.554 -0.131 0.000 2.711 82 T HA 0.171 5.003 4.350 0.803 0.000 0.302 82 T C -1.097 173.415 174.700 -0.314 0.000 1.373 82 T CA -1.023 60.996 62.100 -0.134 0.000 1.000 82 T CB 1.108 69.904 68.868 -0.120 0.000 1.483 82 T HN 0.240 nan 8.240 nan 0.000 0.499 83 N N -0.405 118.140 118.700 -0.258 0.000 2.288 83 N HA 0.234 5.456 4.740 0.803 0.000 0.237 83 N C -0.496 174.698 175.510 -0.526 0.000 1.311 83 N CA -0.411 52.413 53.050 -0.376 0.000 0.909 83 N CB 0.012 38.227 38.487 -0.452 0.000 1.167 83 N HN 0.518 nan 8.380 nan 0.000 0.476 84 F N -1.855 117.845 119.950 -0.417 0.000 2.647 84 F HA 0.385 5.394 4.527 0.804 0.000 0.300 84 F C 0.506 176.245 175.800 -0.102 0.000 1.106 84 F CA -0.530 57.358 58.000 -0.186 0.000 1.313 84 F CB -0.405 38.535 39.000 -0.099 0.000 1.007 84 F HN 0.376 nan 8.300 nan 0.000 0.536 85 F N -0.461 119.580 119.950 0.151 0.000 2.699 85 F HA 0.037 5.046 4.527 0.804 0.000 0.298 85 F C 2.359 178.148 175.800 -0.018 0.000 1.154 85 F CA 0.252 58.277 58.000 0.041 0.000 1.457 85 F CB -0.414 38.639 39.000 0.090 0.000 1.106 85 F HN 0.137 nan 8.300 nan 0.000 0.585 86 G N 1.308 110.227 108.800 0.198 0.000 2.501 86 G HA2 -0.269 4.173 3.960 0.803 0.000 0.220 86 G HA3 -0.269 4.173 3.960 0.803 0.000 0.220 86 G C 1.590 176.656 174.900 0.275 0.000 1.114 86 G CA 0.806 46.037 45.100 0.217 0.000 0.757 86 G HN 0.504 nan 8.290 nan 0.000 0.559 87 M N -0.595 119.122 119.600 0.194 0.000 2.595 87 M HA 0.286 5.248 4.480 0.803 0.000 0.248 87 M C 1.135 177.480 176.300 0.076 0.000 1.119 87 M CA 0.418 55.841 55.300 0.205 0.000 1.079 87 M CB 0.118 32.834 32.600 0.194 0.000 1.472 87 M HN -0.096 nan 8.290 nan 0.000 0.501 88 R N 1.974 122.346 120.500 -0.214 0.000 4.792 88 R HA 0.228 5.050 4.340 0.803 0.000 0.205 88 R C -0.764 175.183 176.300 -0.589 0.000 1.875 88 R CA 0.028 55.658 56.100 -0.783 0.000 1.588 88 R CB -0.525 29.011 30.300 -1.274 0.000 1.401 88 R HN 0.454 nan 8.270 nan 0.000 0.834 89 H N 0.582 119.727 119.070 0.125 0.000 2.679 89 H HA 0.269 5.307 4.556 0.803 0.000 0.367 89 H C 0.145 175.687 175.328 0.357 0.000 1.162 89 H CA -0.997 55.202 56.048 0.252 0.000 1.181 89 H CB 1.835 31.714 29.762 0.196 0.000 1.693 89 H HN -0.017 nan 8.280 nan 0.000 0.538 90 M N 2.645 122.518 119.600 0.456 0.000 2.974 90 M HA 0.085 5.047 4.480 0.803 0.000 0.301 90 M C -0.127 176.443 176.300 0.450 0.000 1.409 90 M CA -0.450 55.104 55.300 0.423 0.000 1.515 90 M CB -1.277 31.519 32.600 0.327 0.000 1.163 90 M HN 0.316 nan 8.290 nan 0.000 0.520 91 N N 1.940 120.860 118.700 0.366 0.000 2.411 91 N HA 0.170 5.392 4.740 0.803 0.000 0.261 91 N C 1.352 176.923 175.510 0.101 0.000 1.248 91 N CA 1.080 54.267 53.050 0.229 0.000 0.885 91 N CB 0.732 39.344 38.487 0.209 0.000 1.062 91 N HN 0.920 nan 8.380 nan 0.000 0.471 92 G N 1.245 110.031 108.800 -0.023 0.000 2.218 92 G HA2 -0.231 4.210 3.960 0.803 0.000 0.216 92 G HA3 -0.231 4.210 3.960 0.803 0.000 0.216 92 G C -0.321 174.322 174.900 -0.429 0.000 0.994 92 G CA -0.532 44.410 45.100 -0.263 0.000 0.637 92 G HN 0.469 nan 8.290 nan 0.000 0.505 93 F N 3.545 123.529 119.950 0.058 0.000 2.347 93 F HA 0.505 5.514 4.527 0.803 0.000 0.366 93 F C -1.678 174.201 175.800 0.130 0.000 1.107 93 F CA -2.177 55.882 58.000 0.098 0.000 1.058 93 F CB 2.254 41.334 39.000 0.132 0.000 1.236 93 F HN -0.117 nan 8.300 nan 0.000 0.456 94 P HA 0.169 nan 4.420 nan 0.000 0.276 94 P C -0.422 177.021 177.300 0.238 0.000 1.244 94 P CA -0.606 62.624 63.100 0.216 0.000 0.801 94 P CB 1.208 33.016 31.700 0.180 0.000 1.006 95 M N 1.197 120.889 119.600 0.153 0.000 2.240 95 M HA 0.355 5.317 4.480 0.803 0.000 0.317 95 M C -0.627 175.728 176.300 0.090 0.000 1.087 95 M CA 0.766 56.138 55.300 0.119 0.000 1.176 95 M CB -0.222 32.413 32.600 0.059 0.000 1.439 95 M HN 0.143 nan 8.290 nan 0.000 0.452 96 I N 2.757 123.364 120.570 0.061 0.000 2.499 96 I HA 0.495 5.147 4.170 0.803 0.000 0.288 96 I C -2.298 173.836 176.117 0.029 0.000 1.048 96 I CA -2.026 59.277 61.300 0.004 0.000 1.062 96 I CB 2.516 40.493 38.000 -0.039 0.000 1.238 96 I HN 0.629 nan 8.210 nan 0.000 0.426 97 P HA 0.452 nan 4.420 nan 0.000 0.283 97 P C -0.920 176.295 177.300 -0.141 0.000 1.278 97 P CA -0.450 62.618 63.100 -0.054 0.000 0.834 97 P CB 1.635 33.365 31.700 0.050 0.000 1.150 98 A N 0.258 122.914 122.820 -0.274 0.000 2.272 98 A HA 0.455 5.257 4.320 0.803 0.000 0.275 98 A C 0.465 177.852 177.584 -0.330 0.000 1.096 98 A CA -0.188 51.602 52.037 -0.411 0.000 0.822 98 A CB -0.465 17.951 19.000 -0.973 0.000 1.088 98 A HN 0.524 nan 8.150 nan 0.000 0.495 99 T N -0.207 114.220 114.554 -0.212 0.000 2.913 99 T HA 0.325 5.157 4.350 0.803 0.000 0.297 99 T C -0.731 174.001 174.700 0.052 0.000 1.029 99 T CA 0.100 62.166 62.100 -0.057 0.000 1.104 99 T CB -0.070 68.775 68.868 -0.037 0.000 0.964 99 T HN 0.376 nan 8.240 nan 0.000 0.532 100 W N 5.769 127.093 121.300 0.040 0.000 2.272 100 W HA 0.362 5.504 4.660 0.803 0.000 0.318 100 W C -1.802 174.761 176.519 0.073 0.000 1.255 100 W CA -2.020 55.389 57.345 0.107 0.000 1.200 100 W CB 0.498 30.031 29.460 0.123 0.000 1.170 100 W HN 0.488 nan 8.180 nan 0.000 0.549 101 P HA 0.035 nan 4.420 nan 0.000 0.271 101 P C -0.564 176.818 177.300 0.136 0.000 1.220 101 P CA -0.302 62.875 63.100 0.128 0.000 0.768 101 P CB 0.987 32.717 31.700 0.049 0.000 0.848 102 L N 3.445 124.721 121.223 0.088 0.000 2.513 102 L HA 0.055 4.877 4.340 0.803 0.000 0.272 102 L C 1.770 178.659 176.870 0.031 0.000 1.187 102 L CA 0.577 55.456 54.840 0.066 0.000 0.895 102 L CB 0.024 42.107 42.059 0.040 0.000 1.147 102 L HN 0.520 nan 8.230 nan 0.000 0.483 103 A N 2.679 125.507 122.820 0.013 0.000 2.016 103 A HA 0.076 4.877 4.320 0.803 0.000 0.217 103 A C 1.045 178.625 177.584 -0.008 0.000 1.162 103 A CA 1.084 53.124 52.037 0.007 0.000 0.662 103 A CB -0.065 18.930 19.000 -0.010 0.000 0.812 103 A HN 0.597 nan 8.150 nan 0.000 0.450 104 S N -0.337 115.348 115.700 -0.024 0.000 2.575 104 S HA 0.404 5.356 4.470 0.803 0.000 0.278 104 S C -0.289 174.295 174.600 -0.027 0.000 1.139 104 S CA -0.355 57.832 58.200 -0.022 0.000 0.954 104 S CB 0.858 64.039 63.200 -0.032 0.000 1.054 104 S HN 0.442 nan 8.310 nan 0.000 0.483 105 N N 5.462 124.154 118.700 -0.014 0.000 2.214 105 N HA 0.146 5.368 4.740 0.803 0.000 0.214 105 N C 1.086 176.606 175.510 0.017 0.000 1.132 105 N CA -0.179 52.858 53.050 -0.021 0.000 0.856 105 N CB -0.348 38.120 38.487 -0.033 0.000 1.020 105 N HN 0.596 nan 8.380 nan 0.000 0.509 106 L N 0.241 121.476 121.223 0.020 0.000 2.017 106 L HA -0.088 4.734 4.340 0.803 0.000 0.208 106 L C 2.560 179.459 176.870 0.048 0.000 1.073 106 L CA 1.423 56.291 54.840 0.046 0.000 0.745 106 L CB -0.350 41.730 42.059 0.035 0.000 0.894 106 L HN 0.257 nan 8.230 nan 0.000 0.432 107 K N 0.869 121.277 120.400 0.014 0.000 2.103 107 K HA -0.214 4.588 4.320 0.803 0.000 0.204 107 K C 2.240 178.865 176.600 0.042 0.000 1.052 107 K CA 1.232 57.526 56.287 0.011 0.000 0.945 107 K CB 0.029 32.507 32.500 -0.037 0.000 0.722 107 K HN 0.089 nan 8.250 nan 0.000 0.443 108 K N 0.796 121.215 120.400 0.031 0.000 2.032 108 K HA -0.185 4.617 4.320 0.803 0.000 0.209 108 K C 2.143 178.873 176.600 0.217 0.000 1.048 108 K CA 1.538 57.860 56.287 0.059 0.000 0.927 108 K CB -0.005 32.446 32.500 -0.082 0.000 0.712 108 K HN 0.136 nan 8.250 nan 0.000 0.441 109 R N -0.183 120.455 120.500 0.231 0.000 2.066 109 R HA -0.079 4.743 4.340 0.803 0.000 0.232 109 R C 2.455 178.873 176.300 0.197 0.000 1.131 109 R CA 1.237 57.524 56.100 0.313 0.000 0.955 109 R CB -0.363 30.094 30.300 0.261 0.000 0.851 109 R HN 0.264 nan 8.270 nan 0.000 0.432 110 A N 1.514 124.415 122.820 0.134 0.000 1.902 110 A HA -0.189 4.613 4.320 0.803 0.000 0.217 110 A C 1.487 179.121 177.584 0.084 0.000 1.181 110 A CA 1.822 53.912 52.037 0.089 0.000 0.623 110 A CB -0.377 18.658 19.000 0.059 0.000 0.818 110 A HN 0.175 nan 8.150 nan 0.000 0.443 111 D N -0.109 120.349 120.400 0.097 0.000 2.264 111 D HA 0.045 5.167 4.640 0.803 0.000 0.208 111 D C 1.685 178.052 176.300 0.110 0.000 0.966 111 D CA 1.240 55.294 54.000 0.090 0.000 0.864 111 D CB -0.196 40.657 40.800 0.087 0.000 0.933 111 D HN 0.445 nan 8.370 nan 0.000 0.499 112 A N 0.047 122.960 122.820 0.155 0.000 2.307 112 A HA 0.019 4.821 4.320 0.803 0.000 0.218 112 A C 0.324 177.940 177.584 0.055 0.000 1.228 112 A CA -0.011 52.104 52.037 0.130 0.000 0.857 112 A CB 0.089 19.208 19.000 0.199 0.000 0.897 112 A HN 0.006 nan 8.150 nan 0.000 0.495 113 D N -0.604 119.830 120.400 0.057 0.000 2.746 113 D HA -0.127 4.995 4.640 0.803 0.000 0.236 113 D C -0.541 175.766 176.300 0.011 0.000 1.129 113 D CA 0.791 54.807 54.000 0.028 0.000 0.691 113 D CB -1.019 39.790 40.800 0.015 0.000 1.077 113 D HN 0.448 nan 8.370 nan 0.000 0.432 114 L N 0.005 121.251 121.223 0.038 0.000 2.334 114 L HA 0.670 5.492 4.340 0.803 0.000 0.272 114 L C 1.043 177.966 176.870 0.088 0.000 1.020 114 L CA -0.815 54.053 54.840 0.046 0.000 0.812 114 L CB 1.542 43.639 42.059 0.064 0.000 1.264 114 L HN 0.014 nan 8.230 nan 0.000 0.439 115 A N 0.679 123.555 122.820 0.094 0.000 2.386 115 A HA 0.219 5.021 4.320 0.803 0.000 0.248 115 A C 0.250 177.924 177.584 0.151 0.000 1.082 115 A CA -0.292 51.785 52.037 0.066 0.000 0.789 115 A CB 0.150 19.135 19.000 -0.024 0.000 1.025 115 A HN 0.845 nan 8.150 nan 0.000 0.490 116 D N -0.006 120.362 120.400 -0.054 0.000 2.358 116 D HA 0.419 5.541 4.640 0.803 0.000 0.224 116 D C 0.368 176.198 176.300 -0.784 0.000 1.123 116 D CA 0.583 54.517 54.000 -0.110 0.000 0.833 116 D CB -0.047 40.743 40.800 -0.017 0.000 0.946 116 D HN 0.882 nan 8.370 nan 0.000 0.505 117 G N -0.549 107.482 108.800 -1.281 0.000 2.328 117 G HA2 0.383 4.824 3.960 0.803 0.000 0.295 117 G HA3 0.383 4.824 3.960 0.803 0.000 0.295 117 G C -3.210 170.979 174.900 -1.185 0.000 1.413 117 G CA -1.159 42.876 45.100 -1.776 0.000 0.817 117 G HN -0.137 nan 8.290 nan 0.000 0.546 118 P HA 0.227 nan 4.420 nan 0.000 0.265 118 P C 1.036 178.309 177.300 -0.045 0.000 1.193 118 P CA -0.277 62.721 63.100 -0.169 0.000 0.765 118 P CB 1.274 32.955 31.700 -0.031 0.000 0.823 119 V N 1.567 121.561 119.914 0.132 0.000 2.591 119 V HA -0.085 4.517 4.120 0.803 0.000 0.249 119 V C 1.158 177.246 176.094 -0.010 0.000 1.053 119 V CA 2.095 64.394 62.300 -0.001 0.000 1.068 119 V CB -0.495 31.294 31.823 -0.057 0.000 0.689 119 V HN 0.741 nan 8.190 nan 0.000 0.462 120 S N -1.649 114.069 115.700 0.029 0.000 2.627 120 S HA 0.470 5.422 4.470 0.803 0.000 0.283 120 S C 0.424 175.026 174.600 0.003 0.000 1.127 120 S CA -0.306 57.892 58.200 -0.003 0.000 0.863 120 S CB 2.206 65.398 63.200 -0.015 0.000 1.121 120 S HN 0.061 nan 8.310 nan 0.000 0.479 121 E N 1.206 121.396 120.200 -0.017 0.000 2.153 121 E HA -0.133 4.699 4.350 0.803 0.000 0.194 121 E C 1.975 178.563 176.600 -0.020 0.000 0.988 121 E CA 1.571 57.962 56.400 -0.016 0.000 0.811 121 E CB -0.195 29.490 29.700 -0.025 0.000 0.746 121 E HN 0.653 nan 8.360 nan 0.000 0.466 122 R N 0.229 120.705 120.500 -0.039 0.000 2.083 122 R HA -0.174 4.648 4.340 0.803 0.000 0.237 122 R C 1.311 177.570 176.300 -0.067 0.000 1.137 122 R CA 2.029 58.086 56.100 -0.071 0.000 0.951 122 R CB -0.349 29.891 30.300 -0.100 0.000 0.851 122 R HN 0.173 nan 8.270 nan 0.000 0.434 123 D N 0.119 120.506 120.400 -0.022 0.000 2.117 123 D HA -0.164 4.958 4.640 0.803 0.000 0.197 123 D C 1.583 177.922 176.300 0.065 0.000 0.987 123 D CA 1.279 55.270 54.000 -0.014 0.000 0.829 123 D CB -0.588 40.324 40.800 0.187 0.000 0.961 123 D HN 0.301 nan 8.370 nan 0.000 0.460 124 N N 0.275 119.046 118.700 0.119 0.000 2.104 124 N HA -0.114 5.108 4.740 0.803 0.000 0.190 124 N C 1.730 177.300 175.510 0.100 0.000 1.024 124 N CA 0.880 54.021 53.050 0.151 0.000 0.853 124 N CB -0.263 38.263 38.487 0.065 0.000 1.008 124 N HN 0.144 nan 8.380 nan 0.000 0.424 125 L N -0.196 121.039 121.223 0.021 0.000 2.093 125 L HA -0.087 4.734 4.340 0.803 0.000 0.208 125 L C 2.205 179.054 176.870 -0.034 0.000 1.085 125 L CA 0.652 55.489 54.840 -0.005 0.000 0.755 125 L CB -0.361 41.676 42.059 -0.036 0.000 0.904 125 L HN 0.243 nan 8.230 nan 0.000 0.435 126 L N -1.517 119.643 121.223 -0.106 0.000 2.072 126 L HA -0.169 4.653 4.340 0.803 0.000 0.205 126 L C 2.489 179.253 176.870 -0.178 0.000 1.079 126 L CA 1.296 56.014 54.840 -0.202 0.000 0.752 126 L CB -0.459 41.409 42.059 -0.319 0.000 0.906 126 L HN 0.113 nan 8.230 nan 0.000 0.436 127 F N 0.148 120.096 119.950 -0.004 0.000 2.134 127 F HA -0.191 4.823 4.527 0.811 0.000 0.299 127 F C 2.765 178.589 175.800 0.041 0.000 1.097 127 F CA 1.150 59.169 58.000 0.030 0.000 1.264 127 F CB -0.210 38.817 39.000 0.045 0.000 1.001 127 F HN -0.092 nan 8.300 nan 0.000 0.479 128 R N 0.020 120.641 120.500 0.201 0.000 2.092 128 R HA -0.104 4.718 4.340 0.803 0.000 0.231 128 R C 2.392 178.739 176.300 0.077 0.000 1.119 128 R CA 1.038 57.209 56.100 0.119 0.000 0.970 128 R CB -0.655 29.694 30.300 0.081 0.000 0.864 128 R HN 0.268 nan 8.270 nan 0.000 0.440 129 A N 1.296 124.133 122.820 0.028 0.000 1.930 129 A HA -0.085 4.717 4.320 0.803 0.000 0.217 129 A C 2.369 179.947 177.584 -0.010 0.000 1.175 129 A CA 1.535 53.562 52.037 -0.017 0.000 0.627 129 A CB -0.559 18.387 19.000 -0.090 0.000 0.815 129 A HN 0.379 nan 8.150 nan 0.000 0.443 130 A N -0.390 122.439 122.820 0.016 0.000 1.908 130 A HA -0.053 4.748 4.320 0.803 0.000 0.218 130 A C 2.226 180.006 177.584 0.325 0.000 1.181 130 A CA 1.918 54.067 52.037 0.186 0.000 0.627 130 A CB -1.002 18.200 19.000 0.336 0.000 0.818 130 A HN 0.413 nan 8.150 nan 0.000 0.445 131 V N 0.160 120.229 119.914 0.258 0.000 2.343 131 V HA -0.286 4.316 4.120 0.803 0.000 0.247 131 V C 2.650 178.905 176.094 0.269 0.000 1.051 131 V CA 2.272 64.729 62.300 0.262 0.000 1.036 131 V CB -0.865 30.994 31.823 0.060 0.000 0.654 131 V HN 0.533 nan 8.190 nan 0.000 0.451 132 R N -0.262 120.340 120.500 0.171 0.000 2.081 132 R HA -0.063 4.759 4.340 0.803 0.000 0.235 132 R C 2.268 178.695 176.300 0.212 0.000 1.131 132 R CA 1.324 57.521 56.100 0.161 0.000 0.960 132 R CB -0.415 29.944 30.300 0.099 0.000 0.856 132 R HN 0.429 nan 8.270 nan 0.000 0.436 133 L N 0.017 121.376 121.223 0.227 0.000 2.109 133 L HA -0.074 4.748 4.340 0.803 0.000 0.207 133 L C 2.514 179.602 176.870 0.364 0.000 1.086 133 L CA 1.068 56.095 54.840 0.312 0.000 0.760 133 L CB -0.290 41.944 42.059 0.293 0.000 0.910 133 L HN 0.206 nan 8.230 nan 0.000 0.437 134 M N -1.259 118.541 119.600 0.333 0.000 2.200 134 M HA -0.098 4.864 4.480 0.803 0.000 0.265 134 M C 1.212 177.444 176.300 -0.114 0.000 1.066 134 M CA 1.771 57.129 55.300 0.096 0.000 1.127 134 M CB 0.004 32.602 32.600 -0.003 0.000 1.379 134 M HN 0.110 nan 8.290 nan 0.000 0.420 135 F N -0.376 119.609 119.950 0.059 0.000 2.639 135 F HA 0.133 5.141 4.527 0.802 0.000 0.302 135 F C 2.042 177.922 175.800 0.133 0.000 1.097 135 F CA -0.262 57.764 58.000 0.044 0.000 1.294 135 F CB -0.367 38.561 39.000 -0.121 0.000 1.027 135 F HN 0.080 nan 8.300 nan 0.000 0.550 136 S N -0.819 115.021 115.700 0.234 0.000 2.365 136 S HA -0.076 4.876 4.470 0.803 0.000 0.194 136 S C 0.671 175.322 174.600 0.086 0.000 1.093 136 S CA 0.619 58.924 58.200 0.175 0.000 1.224 136 S CB -0.512 62.775 63.200 0.144 0.000 0.961 136 S HN 0.165 nan 8.310 nan 0.000 0.412 137 D N 2.611 123.040 120.400 0.049 0.000 2.713 137 D HA 0.343 5.464 4.640 0.803 0.000 0.229 137 D C -0.533 175.754 176.300 -0.021 0.000 1.136 137 D CA 0.095 54.097 54.000 0.003 0.000 1.010 137 D CB -0.196 40.607 40.800 0.005 0.000 1.084 137 D HN 0.321 nan 8.370 nan 0.000 0.495 138 L N 0.991 122.192 121.223 -0.036 0.000 2.395 138 L HA 0.208 5.030 4.340 0.803 0.000 0.269 138 L C 0.950 177.783 176.870 -0.062 0.000 1.133 138 L CA -0.355 54.451 54.840 -0.057 0.000 0.812 138 L CB 0.957 42.978 42.059 -0.064 0.000 1.125 138 L HN -0.050 nan 8.230 nan 0.000 0.452 139 E N 2.544 122.710 120.200 -0.056 0.000 2.171 139 E HA 0.390 5.222 4.350 0.803 0.000 0.271 139 E C -2.348 174.229 176.600 -0.037 0.000 0.916 139 E CA -1.980 54.392 56.400 -0.046 0.000 0.774 139 E CB 1.649 31.324 29.700 -0.042 0.000 1.128 139 E HN 0.288 nan 8.360 nan 0.000 0.403 140 P HA 0.067 nan 4.420 nan 0.000 0.269 140 P C -0.589 176.710 177.300 -0.001 0.000 1.215 140 P CA -0.238 62.860 63.100 -0.004 0.000 0.780 140 P CB 0.652 32.356 31.700 0.006 0.000 0.898 141 V N -1.452 118.469 119.914 0.012 0.000 3.188 141 V HA 0.708 5.310 4.120 0.803 0.000 0.305 141 V C -2.778 173.329 176.094 0.021 0.000 1.232 141 V CA -2.794 59.511 62.300 0.007 0.000 1.043 141 V CB 1.760 33.582 31.823 -0.002 0.000 1.068 141 V HN 0.345 nan 8.190 nan 0.000 0.439 142 P HA 0.262 nan 4.420 nan 0.000 0.272 142 P C -0.570 176.747 177.300 0.028 0.000 1.223 142 P CA -0.257 62.851 63.100 0.013 0.000 0.784 142 P CB 1.237 32.934 31.700 -0.004 0.000 0.923 143 L N 2.688 123.927 121.223 0.026 0.000 2.295 143 L HA 0.170 4.992 4.340 0.803 0.000 0.288 143 L C 0.388 177.289 176.870 0.052 0.000 1.079 143 L CA -0.414 54.456 54.840 0.050 0.000 0.830 143 L CB 0.075 42.157 42.059 0.038 0.000 1.200 143 L HN 0.183 nan 8.230 nan 0.000 0.438 144 K N 6.519 126.968 120.400 0.081 0.000 2.143 144 K HA 0.530 5.332 4.320 0.803 0.000 0.272 144 K C -0.639 176.018 176.600 0.096 0.000 1.001 144 K CA -0.350 55.988 56.287 0.085 0.000 0.915 144 K CB 2.068 34.664 32.500 0.159 0.000 1.047 144 K HN 0.572 nan 8.250 nan 0.000 0.458 145 I N 1.991 122.599 120.570 0.064 0.000 2.498 145 I HA 0.268 4.920 4.170 0.803 0.000 0.290 145 I C 0.135 176.254 176.117 0.002 0.000 1.032 145 I CA -1.239 60.085 61.300 0.039 0.000 1.073 145 I CB 2.015 40.032 38.000 0.029 0.000 1.251 145 I HN 0.335 nan 8.210 nan 0.000 0.426 146 R N 5.698 126.180 120.500 -0.030 0.000 2.449 146 R HA 0.139 4.961 4.340 0.803 0.000 0.296 146 R C -0.499 175.768 176.300 -0.055 0.000 1.047 146 R CA 0.086 56.158 56.100 -0.046 0.000 1.018 146 R CB 0.348 30.621 30.300 -0.046 0.000 0.962 146 R HN 0.413 nan 8.270 nan 0.000 0.428 147 K N 3.037 123.412 120.400 -0.041 0.000 2.448 147 K HA 0.175 4.977 4.320 0.803 0.000 0.278 147 K C 0.918 177.480 176.600 -0.063 0.000 1.009 147 K CA 0.858 57.123 56.287 -0.038 0.000 0.995 147 K CB 0.559 33.046 32.500 -0.021 0.000 0.917 147 K HN 0.907 nan 8.250 nan 0.000 0.481 148 G N 1.382 110.142 108.800 -0.067 0.000 2.245 148 G HA2 -0.345 4.097 3.960 0.803 0.000 0.264 148 G HA3 -0.345 4.097 3.960 0.803 0.000 0.264 148 G C 0.250 175.097 174.900 -0.088 0.000 0.985 148 G CA 0.564 45.620 45.100 -0.075 0.000 0.625 148 G HN 0.742 nan 8.290 nan 0.000 0.536 149 S N -0.191 115.445 115.700 -0.106 0.000 2.584 149 S HA 0.597 5.549 4.470 0.803 0.000 0.270 149 S C 0.510 175.020 174.600 -0.149 0.000 1.346 149 S CA 0.731 58.858 58.200 -0.122 0.000 1.018 149 S CB 1.815 64.928 63.200 -0.144 0.000 0.899 149 S HN 1.489 nan 8.310 nan 0.000 0.542 150 S N 0.136 115.757 115.700 -0.132 0.000 2.646 150 S HA 0.436 5.388 4.470 0.803 0.000 0.276 150 S C 1.282 175.741 174.600 -0.235 0.000 1.222 150 S CA -0.113 58.004 58.200 -0.138 0.000 1.014 150 S CB 0.747 63.905 63.200 -0.070 0.000 0.991 150 S HN 1.014 nan 8.310 nan 0.000 0.533 151 T N 0.275 114.696 114.554 -0.223 0.000 3.081 151 T HA 0.184 5.016 4.350 0.803 0.000 0.250 151 T C 1.313 175.859 174.700 -0.255 0.000 1.100 151 T CA 0.392 62.388 62.100 -0.174 0.000 1.038 151 T CB -1.469 67.402 68.868 0.004 0.000 0.962 151 T HN 0.767 nan 8.240 nan 0.000 0.516 152 C N 0.493 119.459 119.300 -0.557 0.000 0.168 152 C HA -0.247 4.695 4.460 0.803 0.000 0.017 152 C C 1.091 175.280 174.990 -1.334 0.000 0.171 152 C CA -0.639 57.686 59.018 -1.156 0.000 0.499 152 C CB -1.614 25.842 27.740 -0.473 0.000 3.212 152 C HN 0.729 nan 8.230 nan 0.000 1.118 153 I N 3.881 123.964 120.570 -0.811 0.000 2.618 153 I HA 0.140 4.792 4.170 0.803 0.000 0.284 153 I C -0.911 175.013 176.117 -0.321 0.000 1.146 153 I CA -0.334 60.684 61.300 -0.471 0.000 1.425 153 I CB 0.780 38.618 38.000 -0.270 0.000 1.383 153 I HN 0.582 nan 8.210 nan 0.000 0.562 154 P HA 0.032 nan 4.420 nan 0.000 0.272 154 P C 0.742 177.939 177.300 -0.172 0.000 1.276 154 P CA 0.570 63.478 63.100 -0.320 0.000 0.871 154 P CB 0.328 31.790 31.700 -0.397 0.000 1.313 155 Y N -0.943 119.358 120.300 0.001 0.000 2.397 155 Y HA 0.238 5.270 4.550 0.803 0.000 0.292 155 Y C 0.877 176.885 175.900 0.180 0.000 1.115 155 Y CA -0.103 58.047 58.100 0.083 0.000 1.208 155 Y CB -1.083 37.387 38.460 0.017 0.000 1.046 155 Y HN -0.283 nan 8.280 nan 0.000 0.552 156 F N 0.367 120.373 119.950 0.093 0.000 3.039 156 F HA -0.260 4.749 4.527 0.803 0.000 0.287 156 F C 0.666 176.484 175.800 0.029 0.000 0.956 156 F CA 0.545 58.554 58.000 0.015 0.000 0.971 156 F CB -1.612 37.374 39.000 -0.025 0.000 0.943 156 F HN -0.019 nan 8.300 nan 0.000 0.766 157 S N -0.116 115.643 115.700 0.098 0.000 2.585 157 S HA 0.573 5.525 4.470 0.803 0.000 0.277 157 S C 0.810 175.404 174.600 -0.009 0.000 1.241 157 S CA -0.281 57.951 58.200 0.053 0.000 1.041 157 S CB 1.042 64.259 63.200 0.028 0.000 0.987 157 S HN 0.342 nan 8.310 nan 0.000 0.512 158 N N 1.831 120.523 118.700 -0.013 0.000 2.177 158 N HA 0.187 5.409 4.740 0.803 0.000 0.218 158 N C -1.278 174.203 175.510 -0.048 0.000 1.182 158 N CA -0.252 52.772 53.050 -0.043 0.000 0.882 158 N CB 0.529 39.000 38.487 -0.028 0.000 1.052 158 N HN 0.649 nan 8.380 nan 0.000 0.519 159 D N 0.391 120.768 120.400 -0.038 0.000 2.317 159 D HA 0.068 5.190 4.640 0.803 0.000 0.252 159 D C 1.201 177.478 176.300 -0.038 0.000 1.174 159 D CA -0.293 53.686 54.000 -0.036 0.000 0.866 159 D CB 0.786 41.569 40.800 -0.029 0.000 1.127 159 D HN -0.127 nan 8.370 nan 0.000 0.467 160 M N 3.819 123.396 119.600 -0.038 0.000 2.108 160 M HA 0.034 4.996 4.480 0.803 0.000 0.261 160 M C 1.835 178.144 176.300 0.014 0.000 1.066 160 M CA 2.057 57.346 55.300 -0.017 0.000 1.107 160 M CB -0.709 31.866 32.600 -0.042 0.000 1.356 160 M HN 0.535 nan 8.290 nan 0.000 0.406 161 G N -1.766 107.029 108.800 -0.008 0.000 2.418 161 G HA2 -0.185 4.257 3.960 0.803 0.000 0.217 161 G HA3 -0.185 4.257 3.960 0.803 0.000 0.217 161 G C 1.424 176.332 174.900 0.014 0.000 1.158 161 G CA 1.370 46.476 45.100 0.009 0.000 0.771 161 G HN 0.506 nan 8.290 nan 0.000 0.545 162 T N 0.169 114.719 114.554 -0.007 0.000 2.821 162 T HA -0.031 4.801 4.350 0.803 0.000 0.267 162 T C 2.236 176.950 174.700 0.022 0.000 1.046 162 T CA 1.367 63.456 62.100 -0.018 0.000 1.139 162 T CB -0.070 68.770 68.868 -0.045 0.000 0.871 162 T HN 0.295 nan 8.240 nan 0.000 0.454 163 K N 0.404 120.821 120.400 0.028 0.000 2.097 163 K HA -0.017 4.785 4.320 0.803 0.000 0.205 163 K C 2.123 178.835 176.600 0.186 0.000 1.050 163 K CA 0.815 57.144 56.287 0.070 0.000 0.938 163 K CB -0.094 32.355 32.500 -0.085 0.000 0.718 163 K HN 0.165 nan 8.250 nan 0.000 0.442 164 I N 1.784 122.433 120.570 0.133 0.000 2.226 164 I HA -0.239 4.413 4.170 0.803 0.000 0.245 164 I C 1.905 178.081 176.117 0.099 0.000 1.100 164 I CA 1.613 62.994 61.300 0.137 0.000 1.374 164 I CB -0.969 37.113 38.000 0.137 0.000 1.057 164 I HN 0.275 nan 8.210 nan 0.000 0.413 165 E N 0.732 120.973 120.200 0.068 0.000 2.077 165 E HA -0.198 4.634 4.350 0.803 0.000 0.193 165 E C 2.356 178.980 176.600 0.039 0.000 0.989 165 E CA 1.134 57.555 56.400 0.035 0.000 0.800 165 E CB -0.106 29.598 29.700 0.006 0.000 0.746 165 E HN 0.427 nan 8.360 nan 0.000 0.452 166 I N 1.044 121.661 120.570 0.078 0.000 2.226 166 I HA -0.289 4.362 4.170 0.803 0.000 0.245 166 I C 2.502 178.634 176.117 0.026 0.000 1.100 166 I CA 1.022 62.377 61.300 0.091 0.000 1.374 166 I CB -0.248 37.880 38.000 0.213 0.000 1.057 166 I HN 0.106 nan 8.210 nan 0.000 0.413 167 A N 0.191 123.055 122.820 0.072 0.000 1.898 167 A HA -0.214 4.588 4.320 0.803 0.000 0.216 167 A C 2.199 179.723 177.584 -0.099 0.000 1.181 167 A CA 1.603 53.586 52.037 -0.089 0.000 0.620 167 A CB -0.522 18.517 19.000 0.065 0.000 0.819 167 A HN 0.430 nan 8.150 nan 0.000 0.442 168 E N -0.939 119.242 120.200 -0.032 0.000 2.047 168 E HA -0.206 4.626 4.350 0.803 0.000 0.191 168 E C 2.293 178.861 176.600 -0.053 0.000 0.987 168 E CA 1.254 57.629 56.400 -0.041 0.000 0.799 168 E CB -0.130 29.566 29.700 -0.007 0.000 0.752 168 E HN 0.483 nan 8.360 nan 0.000 0.449 169 R N 1.252 121.730 120.500 -0.036 0.000 2.096 169 R HA -0.100 4.721 4.340 0.803 0.000 0.235 169 R C 1.941 178.203 176.300 -0.063 0.000 1.127 169 R CA 1.623 57.705 56.100 -0.031 0.000 0.968 169 R CB -0.573 29.725 30.300 -0.004 0.000 0.861 169 R HN 0.144 nan 8.270 nan 0.000 0.440 170 A N 0.517 123.277 122.820 -0.099 0.000 1.898 170 A HA -0.055 4.747 4.320 0.803 0.000 0.216 170 A C 2.216 179.696 177.584 -0.174 0.000 1.181 170 A CA 1.414 53.366 52.037 -0.142 0.000 0.620 170 A CB -0.564 18.306 19.000 -0.217 0.000 0.819 170 A HN 0.358 nan 8.150 nan 0.000 0.442 171 L N -0.923 120.160 121.223 -0.234 0.000 2.191 171 L HA -0.172 4.650 4.340 0.803 0.000 0.212 171 L C 2.469 179.332 176.870 -0.011 0.000 1.103 171 L CA 1.418 56.069 54.840 -0.314 0.000 0.769 171 L CB -0.537 41.294 42.059 -0.380 0.000 0.908 171 L HN 0.497 nan 8.230 nan 0.000 0.438 172 E N -0.159 120.017 120.200 -0.040 0.000 2.112 172 E HA -0.114 4.718 4.350 0.803 0.000 0.190 172 E C 1.526 178.066 176.600 -0.101 0.000 0.979 172 E CA 0.632 57.016 56.400 -0.027 0.000 0.814 172 E CB 0.335 30.014 29.700 -0.034 0.000 0.762 172 E HN 0.197 nan 8.360 nan 0.000 0.460 173 K N -0.355 119.945 120.400 -0.168 0.000 2.358 173 K HA 0.238 5.040 4.320 0.803 0.000 0.200 173 K C 1.377 177.742 176.600 -0.392 0.000 1.030 173 K CA 0.220 56.293 56.287 -0.356 0.000 1.097 173 K CB 0.970 33.161 32.500 -0.516 0.000 0.862 173 K HN 0.007 nan 8.250 nan 0.000 0.534 174 A N 1.612 124.329 122.820 -0.172 0.000 1.908 174 A HA -0.230 4.572 4.320 0.803 0.000 0.218 174 A C 2.190 179.640 177.584 -0.224 0.000 1.181 174 A CA 1.925 53.956 52.037 -0.010 0.000 0.627 174 A CB -0.306 18.949 19.000 0.424 0.000 0.818 174 A HN 0.453 nan 8.150 nan 0.000 0.445 175 E N -0.322 119.405 120.200 -0.789 0.000 2.051 175 E HA -0.258 4.574 4.350 0.803 0.000 0.192 175 E C 2.042 178.248 176.600 -0.657 0.000 0.991 175 E CA 1.433 56.944 56.400 -1.480 0.000 0.799 175 E CB -0.208 28.475 29.700 -1.695 0.000 0.748 175 E HN 0.749 nan 8.360 nan 0.000 0.449 176 E N -0.334 119.592 120.200 -0.457 0.000 2.150 176 E HA -0.179 4.653 4.350 0.803 0.000 0.193 176 E C 1.868 178.374 176.600 -0.157 0.000 0.985 176 E CA 0.855 57.094 56.400 -0.268 0.000 0.814 176 E CB -0.092 29.470 29.700 -0.231 0.000 0.752 176 E HN 0.355 nan 8.360 nan 0.000 0.466 177 A N 0.783 123.487 122.820 -0.194 0.000 1.873 177 A HA -0.035 4.767 4.320 0.803 0.000 0.215 177 A C 2.423 180.021 177.584 0.023 0.000 1.186 177 A CA 1.503 53.529 52.037 -0.018 0.000 0.616 177 A CB -1.110 17.884 19.000 -0.010 0.000 0.823 177 A HN 0.429 nan 8.150 nan 0.000 0.442 178 G N 0.061 108.910 108.800 0.082 0.000 2.418 178 G HA2 -0.276 4.166 3.960 0.803 0.000 0.217 178 G HA3 -0.276 4.166 3.960 0.803 0.000 0.217 178 G C 1.405 176.384 174.900 0.132 0.000 1.158 178 G CA 1.093 46.312 45.100 0.199 0.000 0.771 178 G HN 0.515 nan 8.290 nan 0.000 0.545 179 N N 0.395 119.146 118.700 0.084 0.000 2.244 179 N HA -0.001 5.221 4.740 0.803 0.000 0.183 179 N C 2.279 177.777 175.510 -0.020 0.000 1.016 179 N CA 0.521 53.600 53.050 0.048 0.000 0.866 179 N CB -0.257 38.235 38.487 0.008 0.000 0.980 179 N HN 0.297 nan 8.380 nan 0.000 0.430 180 L N 0.495 121.691 121.223 -0.045 0.000 2.046 180 L HA -0.069 4.752 4.340 0.803 0.000 0.208 180 L C 2.337 179.073 176.870 -0.224 0.000 1.077 180 L CA 0.962 55.747 54.840 -0.091 0.000 0.747 180 L CB -0.283 41.745 42.059 -0.051 0.000 0.896 180 L HN 0.140 nan 8.230 nan 0.000 0.432 181 M N -0.837 118.597 119.600 -0.277 0.000 2.175 181 M HA -0.211 4.750 4.480 0.803 0.000 0.264 181 M C 2.238 178.296 176.300 -0.402 0.000 1.063 181 M CA 1.609 56.529 55.300 -0.633 0.000 1.119 181 M CB -0.329 32.050 32.600 -0.367 0.000 1.377 181 M HN 0.236 nan 8.290 nan 0.000 0.415 182 L N -0.080 121.065 121.223 -0.130 0.000 2.265 182 L HA -0.210 4.611 4.340 0.803 0.000 0.215 182 L C 1.934 178.772 176.870 -0.053 0.000 1.117 182 L CA 1.145 55.966 54.840 -0.031 0.000 0.782 182 L CB -0.386 41.698 42.059 0.041 0.000 0.914 182 L HN 0.417 nan 8.230 nan 0.000 0.441 183 Q N -0.689 119.049 119.800 -0.102 0.000 2.320 183 Q HA 0.133 4.955 4.340 0.803 0.000 0.201 183 Q C 1.344 177.287 176.000 -0.095 0.000 0.910 183 Q CA 0.493 56.253 55.803 -0.071 0.000 0.946 183 Q CB 0.671 29.376 28.738 -0.055 0.000 1.062 183 Q HN 0.535 nan 8.270 nan 0.000 0.503 184 G N 1.884 110.563 108.800 -0.202 0.000 2.159 184 G HA2 -0.305 4.137 3.960 0.803 0.000 0.256 184 G HA3 -0.305 4.137 3.960 0.803 0.000 0.256 184 G C 0.145 174.933 174.900 -0.188 0.000 0.977 184 G CA 0.011 45.032 45.100 -0.131 0.000 0.652 184 G HN 0.259 nan 8.290 nan 0.000 0.531 185 K N 0.473 120.689 120.400 -0.306 0.000 2.535 185 K HA 0.479 5.281 4.320 0.803 0.000 0.242 185 K C 0.948 177.424 176.600 -0.207 0.000 1.210 185 K CA -0.663 55.526 56.287 -0.164 0.000 1.178 185 K CB -0.245 32.197 32.500 -0.097 0.000 1.778 185 K HN 0.285 nan 8.250 nan 0.000 0.372 186 F N 0.599 120.573 119.950 0.040 0.000 2.146 186 F HA -0.183 4.826 4.527 0.803 0.000 0.298 186 F C 1.790 177.628 175.800 0.064 0.000 1.096 186 F CA 1.023 59.050 58.000 0.044 0.000 1.275 186 F CB 0.056 39.067 39.000 0.019 0.000 1.008 186 F HN 0.331 nan 8.300 nan 0.000 0.480 187 D N 0.294 120.823 120.400 0.214 0.000 2.117 187 D HA -0.156 4.966 4.640 0.803 0.000 0.197 187 D C 1.754 178.131 176.300 0.127 0.000 0.987 187 D CA 1.386 55.483 54.000 0.162 0.000 0.829 187 D CB -0.460 40.401 40.800 0.101 0.000 0.961 187 D HN 0.217 nan 8.370 nan 0.000 0.460 188 D N 0.277 120.716 120.400 0.065 0.000 2.117 188 D HA -0.062 5.060 4.640 0.803 0.000 0.198 188 D C 2.010 178.314 176.300 0.007 0.000 0.982 188 D CA 1.231 55.238 54.000 0.013 0.000 0.828 188 D CB -0.335 40.459 40.800 -0.010 0.000 0.967 188 D HN 0.132 nan 8.370 nan 0.000 0.464 189 A N -0.108 122.745 122.820 0.054 0.000 1.933 189 A HA -0.208 4.594 4.320 0.803 0.000 0.218 189 A C 2.165 179.812 177.584 0.103 0.000 1.175 189 A CA 1.205 53.304 52.037 0.104 0.000 0.628 189 A CB -0.892 18.165 19.000 0.095 0.000 0.814 189 A HN 0.348 nan 8.150 nan 0.000 0.444 190 Y N 0.362 120.670 120.300 0.014 0.000 2.184 190 Y HA -0.157 4.875 4.550 0.803 0.000 0.290 190 Y C 2.467 178.326 175.900 -0.068 0.000 1.129 190 Y CA 2.136 60.223 58.100 -0.021 0.000 1.144 190 Y CB -0.496 37.950 38.460 -0.022 0.000 0.995 190 Y HN 0.413 nan 8.280 nan 0.000 0.513 191 Q N -0.128 119.561 119.800 -0.184 0.000 2.124 191 Q HA -0.155 4.667 4.340 0.803 0.000 0.202 191 Q C 2.225 178.042 176.000 -0.305 0.000 0.977 191 Q CA 1.971 57.618 55.803 -0.260 0.000 0.850 191 Q CB -0.134 28.553 28.738 -0.085 0.000 0.901 191 Q HN 0.506 nan 8.270 nan 0.000 0.429 192 L N -0.943 120.081 121.223 -0.332 0.000 2.162 192 L HA -0.068 4.754 4.340 0.803 0.000 0.205 192 L C 1.392 177.837 176.870 -0.709 0.000 1.086 192 L CA 0.697 55.202 54.840 -0.559 0.000 0.778 192 L CB 0.077 41.662 42.059 -0.790 0.000 0.928 192 L HN 0.328 nan 8.230 nan 0.000 0.446 193 H N -1.291 117.706 119.070 -0.123 0.000 3.078 193 H HA 0.201 5.239 4.556 0.803 0.000 0.263 193 H C 0.104 175.353 175.328 -0.131 0.000 1.177 193 H CA -0.101 55.888 56.048 -0.099 0.000 1.128 193 H CB 0.814 30.538 29.762 -0.064 0.000 1.623 193 H HN 0.102 nan 8.280 nan 0.000 0.592 194 Q N 0.051 119.722 119.800 -0.215 0.000 2.480 194 Q HA -0.176 4.646 4.340 0.803 0.000 0.265 194 Q C -0.270 175.704 176.000 -0.043 0.000 1.072 194 Q CA 0.752 56.349 55.803 -0.343 0.000 1.018 194 Q CB -1.920 26.660 28.738 -0.264 0.000 1.433 194 Q HN 0.472 nan 8.270 nan 0.000 0.513 195 M N 0.074 119.714 119.600 0.068 0.000 2.080 195 M HA 0.538 5.500 4.480 0.803 0.000 0.350 195 M C 0.874 177.300 176.300 0.210 0.000 1.143 195 M CA 0.435 55.801 55.300 0.110 0.000 1.064 195 M CB 1.011 33.665 32.600 0.089 0.000 1.429 195 M HN 0.415 nan 8.290 nan 0.000 0.418 196 G N 1.199 110.104 108.800 0.176 0.000 2.247 196 G HA2 0.347 4.789 3.960 0.803 0.000 0.229 196 G HA3 0.347 4.789 3.960 0.803 0.000 0.229 196 G C -0.112 174.724 174.900 -0.107 0.000 1.345 196 G CA -0.106 45.047 45.100 0.088 0.000 1.100 196 G HN 1.060 nan 8.290 nan 0.000 0.473 197 G N -0.471 108.054 108.800 -0.460 0.000 2.866 197 G HA2 0.424 4.866 3.960 0.803 0.000 0.274 197 G HA3 0.424 4.866 3.960 0.803 0.000 0.274 197 G C 0.794 175.471 174.900 -0.371 0.000 1.413 197 G CA 2.341 46.995 45.100 -0.742 0.000 0.997 197 G HN 2.980 nan 8.290 nan 0.000 0.559 198 A N -2.261 120.386 122.820 -0.288 0.000 2.566 198 A HA 0.696 5.498 4.320 0.803 0.000 0.290 198 A C -1.212 176.251 177.584 -0.202 0.000 1.071 198 A CA -0.210 51.727 52.037 -0.167 0.000 0.658 198 A CB 0.275 19.273 19.000 -0.004 0.000 1.285 198 A HN 1.485 nan 8.150 nan 0.000 0.427 199 Y N -0.381 119.947 120.300 0.048 0.000 2.307 199 Y HA 0.467 5.500 4.550 0.804 0.000 0.324 199 Y C -0.134 175.880 175.900 0.191 0.000 1.238 199 Y CA 0.760 58.906 58.100 0.078 0.000 1.280 199 Y CB 0.996 39.474 38.460 0.029 0.000 1.248 199 Y HN 0.628 nan 8.280 nan 0.000 0.508 200 Y N 2.100 122.547 120.300 0.246 0.000 2.331 200 Y HA 0.538 5.570 4.550 0.803 0.000 0.338 200 Y C -0.965 175.052 175.900 0.195 0.000 0.976 200 Y CA -1.117 57.165 58.100 0.303 0.000 1.137 200 Y CB 0.709 39.400 38.460 0.385 0.000 1.172 200 Y HN 0.321 nan 8.280 nan 0.000 0.478 201 V N 8.190 127.920 119.914 -0.306 0.000 2.408 201 V HA 0.303 4.905 4.120 0.803 0.000 0.267 201 V C -0.292 175.435 176.094 -0.612 0.000 1.047 201 V CA -0.413 61.627 62.300 -0.433 0.000 0.937 201 V CB 0.455 31.970 31.823 -0.514 0.000 0.999 201 V HN 0.641 nan 8.190 nan 0.000 0.472 202 V N 3.258 122.933 119.914 -0.399 0.000 2.555 202 V HA 0.628 5.230 4.120 0.803 0.000 0.302 202 V C -1.050 174.815 176.094 -0.381 0.000 1.038 202 V CA -1.005 61.134 62.300 -0.269 0.000 0.887 202 V CB 1.464 33.313 31.823 0.044 0.000 0.991 202 V HN 0.588 nan 8.190 nan 0.000 0.434 203 Y N 3.608 123.878 120.300 -0.049 0.000 2.350 203 Y HA 0.628 5.659 4.550 0.803 0.000 0.340 203 Y C 0.929 176.804 175.900 -0.040 0.000 1.006 203 Y CA -0.474 57.594 58.100 -0.054 0.000 1.166 203 Y CB 1.106 39.527 38.460 -0.065 0.000 1.168 203 Y HN 0.552 nan 8.280 nan 0.000 0.502 204 R N 1.993 122.542 120.500 0.082 0.000 2.540 204 R HA 0.737 5.559 4.340 0.803 0.000 0.287 204 R C -0.431 175.844 176.300 -0.041 0.000 0.980 204 R CA -1.025 55.075 56.100 -0.001 0.000 0.966 204 R CB 1.504 31.794 30.300 -0.017 0.000 1.106 204 R HN 0.736 nan 8.270 nan 0.000 0.480 205 A N 1.915 124.658 122.820 -0.128 0.000 2.401 205 A HA 0.102 4.904 4.320 0.803 0.000 0.259 205 A C -0.133 177.368 177.584 -0.137 0.000 1.103 205 A CA -0.230 51.730 52.037 -0.127 0.000 0.789 205 A CB 0.606 19.510 19.000 -0.160 0.000 1.035 205 A HN 0.518 nan 8.150 nan 0.000 0.491 206 Q N 1.925 121.657 119.800 -0.112 0.000 2.462 206 Q HA 0.325 5.147 4.340 0.803 0.000 0.247 206 Q C 0.763 176.678 176.000 -0.142 0.000 1.044 206 Q CA 0.264 55.997 55.803 -0.117 0.000 0.803 206 Q CB 0.668 29.346 28.738 -0.099 0.000 1.190 206 Q HN 0.817 nan 8.270 nan 0.000 0.507 207 S N 1.470 117.099 115.700 -0.118 0.000 2.419 207 S HA -0.042 4.910 4.470 0.803 0.000 0.233 207 S C 0.760 175.278 174.600 -0.136 0.000 1.016 207 S CA 0.970 59.114 58.200 -0.093 0.000 0.974 207 S CB -0.436 62.755 63.200 -0.016 0.000 0.786 207 S HN 0.692 nan 8.310 nan 0.000 0.492 208 T N -1.220 113.259 114.554 -0.125 0.000 2.893 208 T HA 0.722 5.554 4.350 0.803 0.000 0.291 208 T C -1.429 173.187 174.700 -0.141 0.000 1.028 208 T CA -0.772 61.279 62.100 -0.082 0.000 0.995 208 T CB 2.188 71.102 68.868 0.077 0.000 1.051 208 T HN 0.110 nan 8.240 nan 0.000 0.470 209 D N -0.102 120.262 120.400 -0.060 0.000 2.623 209 D HA 0.547 5.669 4.640 0.803 0.000 0.241 209 D C -0.629 175.746 176.300 0.125 0.000 1.241 209 D CA -0.433 53.559 54.000 -0.013 0.000 0.788 209 D CB 2.015 42.755 40.800 -0.100 0.000 1.413 209 D HN 0.940 nan 8.370 nan 0.000 0.429 210 A N 1.491 124.345 122.820 0.058 0.000 2.531 210 A HA 0.509 5.311 4.320 0.803 0.000 0.236 210 A C -0.049 177.563 177.584 0.047 0.000 1.062 210 A CA 0.426 52.499 52.037 0.059 0.000 0.760 210 A CB -0.094 18.918 19.000 0.019 0.000 0.995 210 A HN 0.468 nan 8.150 nan 0.000 0.501 211 I N 1.147 121.773 120.570 0.094 0.000 2.722 211 I HA 0.434 5.086 4.170 0.803 0.000 0.295 211 I C 0.069 176.332 176.117 0.245 0.000 1.161 211 I CA -0.384 60.959 61.300 0.071 0.000 1.032 211 I CB 2.941 40.973 38.000 0.054 0.000 1.244 211 I HN 0.823 nan 8.210 nan 0.000 0.421 212 T N 2.615 117.285 114.554 0.193 0.000 2.916 212 T HA 0.709 5.541 4.350 0.803 0.000 0.292 212 T C -1.036 173.740 174.700 0.127 0.000 1.064 212 T CA -0.796 61.452 62.100 0.248 0.000 1.011 212 T CB 2.188 71.127 68.868 0.118 0.000 1.152 212 T HN 0.319 nan 8.240 nan 0.000 0.510 213 L N 1.963 123.209 121.223 0.039 0.000 2.280 213 L HA 0.496 5.318 4.340 0.803 0.000 0.287 213 L C -0.529 176.233 176.870 -0.180 0.000 1.023 213 L CA -0.387 54.237 54.840 -0.359 0.000 0.819 213 L CB 1.005 42.715 42.059 -0.582 0.000 1.212 213 L HN 0.792 nan 8.230 nan 0.000 0.420 214 D N 7.545 127.832 120.400 -0.188 0.000 2.344 214 D HA 0.147 5.269 4.640 0.803 0.000 0.253 214 D C -1.641 174.590 176.300 -0.116 0.000 1.255 214 D CA -1.757 52.180 54.000 -0.105 0.000 0.894 214 D CB 1.520 42.275 40.800 -0.075 0.000 1.067 214 D HN 0.439 nan 8.370 nan 0.000 0.492 215 P HA -0.204 nan 4.420 nan 0.000 0.217 215 P C 1.082 178.346 177.300 -0.060 0.000 1.148 215 P CA 0.941 64.001 63.100 -0.068 0.000 0.828 215 P CB 0.500 32.178 31.700 -0.037 0.000 0.783 216 K N -0.463 119.908 120.400 -0.049 0.000 1.991 216 K HA -0.109 4.692 4.320 0.803 0.000 0.212 216 K C 2.297 178.869 176.600 -0.046 0.000 1.049 216 K CA 1.938 58.201 56.287 -0.039 0.000 0.932 216 K CB -1.564 30.919 32.500 -0.029 0.000 0.717 216 K HN 0.192 nan 8.250 nan 0.000 0.441 217 T N -1.225 113.295 114.554 -0.056 0.000 3.051 217 T HA 0.118 4.950 4.350 0.803 0.000 0.255 217 T C 1.150 175.800 174.700 -0.083 0.000 1.085 217 T CA 1.278 63.344 62.100 -0.057 0.000 1.109 217 T CB -0.113 68.728 68.868 -0.045 0.000 0.921 217 T HN 0.523 nan 8.240 nan 0.000 0.488 218 G N 1.436 110.158 108.800 -0.130 0.000 2.184 218 G HA2 -0.191 4.251 3.960 0.803 0.000 0.264 218 G HA3 -0.191 4.251 3.960 0.803 0.000 0.264 218 G C 0.042 174.791 174.900 -0.252 0.000 0.975 218 G CA 0.237 45.226 45.100 -0.184 0.000 0.642 218 G HN 0.514 nan 8.290 nan 0.000 0.536 219 K N -0.146 120.137 120.400 -0.195 0.000 2.110 219 K HA 0.639 5.441 4.320 0.803 0.000 0.263 219 K C 0.008 176.496 176.600 -0.187 0.000 0.975 219 K CA -0.743 55.467 56.287 -0.128 0.000 0.895 219 K CB 0.892 33.384 32.500 -0.013 0.000 1.060 219 K HN 0.083 nan 8.250 nan 0.000 0.448 220 F N 0.507 120.443 119.950 -0.023 0.000 2.389 220 F HA 0.245 5.254 4.527 0.803 0.000 0.337 220 F C 0.567 176.449 175.800 0.137 0.000 1.112 220 F CA -0.577 57.423 58.000 0.001 0.000 1.192 220 F CB 0.996 40.000 39.000 0.007 0.000 1.185 220 F HN -0.024 nan 8.300 nan 0.000 0.552 221 V N 1.958 121.994 119.914 0.202 0.000 2.483 221 V HA 0.329 4.931 4.120 0.803 0.000 0.297 221 V C -0.504 175.460 176.094 -0.218 0.000 1.027 221 V CA -1.009 61.310 62.300 0.032 0.000 0.855 221 V CB 1.649 33.478 31.823 0.010 0.000 0.995 221 V HN 0.826 nan 8.190 nan 0.000 0.424 222 S N 3.614 118.946 115.700 -0.613 0.000 2.586 222 S HA 0.485 5.437 4.470 0.803 0.000 0.274 222 S C -0.227 174.198 174.600 -0.292 0.000 1.281 222 S CA -0.697 57.077 58.200 -0.710 0.000 1.035 222 S CB 1.025 63.494 63.200 -1.219 0.000 0.962 222 S HN 0.731 nan 8.310 nan 0.000 0.512 223 K N 1.284 121.578 120.400 -0.176 0.000 2.416 223 K HA 0.039 4.840 4.320 0.803 0.000 0.283 223 K C -0.843 175.707 176.600 -0.083 0.000 1.037 223 K CA -0.200 56.031 56.287 -0.093 0.000 0.995 223 K CB 0.059 32.527 32.500 -0.054 0.000 0.938 223 K HN 0.565 nan 8.250 nan 0.000 0.475 224 D N 3.628 123.991 120.400 -0.061 0.000 2.425 224 D HA 0.086 5.208 4.640 0.803 0.000 0.247 224 D C -0.271 175.998 176.300 -0.053 0.000 1.147 224 D CA 0.311 54.282 54.000 -0.048 0.000 0.879 224 D CB 0.665 41.448 40.800 -0.030 0.000 1.179 224 D HN 0.285 nan 8.370 nan 0.000 0.456 225 R N 2.727 123.188 120.500 -0.065 0.000 2.360 225 R HA 0.310 5.132 4.340 0.803 0.000 0.318 225 R C -0.146 176.077 176.300 -0.127 0.000 0.950 225 R CA -0.785 55.267 56.100 -0.080 0.000 0.837 225 R CB 1.153 31.409 30.300 -0.074 0.000 1.165 225 R HN 0.362 nan 8.270 nan 0.000 0.458 226 M N 3.307 122.825 119.600 -0.136 0.000 2.217 226 M HA 0.242 5.204 4.480 0.803 0.000 0.354 226 M C 0.426 176.553 176.300 -0.288 0.000 1.225 226 M CA -0.517 54.658 55.300 -0.209 0.000 1.137 226 M CB 0.815 33.323 32.600 -0.154 0.000 1.576 226 M HN 0.335 nan 8.290 nan 0.000 0.461 227 V N 0.197 119.821 119.914 -0.483 0.000 2.962 227 V HA 1.004 5.606 4.120 0.803 0.000 0.313 227 V C -0.444 175.322 176.094 -0.546 0.000 1.099 227 V CA -1.271 60.745 62.300 -0.474 0.000 0.971 227 V CB 1.577 33.101 31.823 -0.500 0.000 1.028 227 V HN 0.922 nan 8.190 nan 0.000 0.430 228 A N 2.377 125.019 122.820 -0.296 0.000 2.301 228 A HA 0.762 5.564 4.320 0.803 0.000 0.312 228 A C -0.144 177.514 177.584 0.123 0.000 1.182 228 A CA -0.323 51.589 52.037 -0.208 0.000 0.826 228 A CB 0.434 19.363 19.000 -0.119 0.000 1.134 228 A HN 1.170 nan 8.150 nan 0.000 0.501 229 D N 0.948 121.497 120.400 0.249 0.000 2.433 229 D HA 0.123 5.245 4.640 0.803 0.000 0.255 229 D C 0.815 177.097 176.300 -0.030 0.000 1.226 229 D CA -0.661 53.507 54.000 0.281 0.000 1.015 229 D CB 0.033 41.015 40.800 0.303 0.000 1.091 229 D HN 0.370 nan 8.370 nan 0.000 0.527 230 F N 0.152 119.698 119.950 -0.674 0.000 2.126 230 F HA -0.204 4.805 4.527 0.804 0.000 0.299 230 F C 2.012 177.577 175.800 -0.392 0.000 1.096 230 F CA 1.633 59.029 58.000 -1.006 0.000 1.255 230 F CB 0.081 38.259 39.000 -1.369 0.000 0.997 230 F HN 0.189 nan 8.300 nan 0.000 0.479 231 E N -0.347 119.663 120.200 -0.317 0.000 2.072 231 E HA -0.258 4.574 4.350 0.803 0.000 0.191 231 E C 2.071 178.530 176.600 -0.235 0.000 0.985 231 E CA 1.498 57.707 56.400 -0.318 0.000 0.801 231 E CB -0.964 28.694 29.700 -0.071 0.000 0.750 231 E HN 0.653 nan 8.360 nan 0.000 0.452 232 Y N 1.077 121.262 120.300 -0.192 0.000 2.145 232 Y HA -0.260 4.772 4.550 0.803 0.000 0.286 232 Y C 2.276 178.083 175.900 -0.155 0.000 1.145 232 Y CA 1.922 59.951 58.100 -0.119 0.000 1.148 232 Y CB -0.189 38.255 38.460 -0.025 0.000 0.981 232 Y HN 0.050 nan 8.280 nan 0.000 0.507 233 A N -0.415 122.452 122.820 0.078 0.000 1.933 233 A HA -0.191 4.611 4.320 0.803 0.000 0.218 233 A C 2.156 179.648 177.584 -0.154 0.000 1.175 233 A CA 2.253 54.308 52.037 0.030 0.000 0.628 233 A CB -1.472 17.605 19.000 0.128 0.000 0.814 233 A HN 0.527 nan 8.150 nan 0.000 0.444 234 V N -2.540 117.135 119.914 -0.398 0.000 3.306 234 V HA 0.006 4.607 4.120 0.803 0.000 0.264 234 V C 1.721 177.650 176.094 -0.275 0.000 1.149 234 V CA 1.841 63.913 62.300 -0.381 0.000 1.143 234 V CB -1.144 30.300 31.823 -0.631 0.000 0.767 234 V HN 0.643 nan 8.190 nan 0.000 0.476 235 T N -3.221 111.166 114.554 -0.279 0.000 3.134 235 T HA 0.454 5.286 4.350 0.803 0.000 0.260 235 T C 1.540 176.092 174.700 -0.247 0.000 1.027 235 T CA 0.514 62.473 62.100 -0.236 0.000 0.913 235 T CB 0.046 68.772 68.868 -0.236 0.000 1.046 235 T HN 1.466 nan 8.240 nan 0.000 0.553 236 G N 0.869 109.527 108.800 -0.236 0.000 2.203 236 G HA2 0.060 4.502 3.960 0.803 0.000 0.263 236 G HA3 0.060 4.502 3.960 0.803 0.000 0.263 236 G C 1.107 175.763 174.900 -0.407 0.000 1.012 236 G CA 0.417 45.384 45.100 -0.221 0.000 0.749 236 G HN 1.833 nan 8.290 nan 0.000 0.512 237 G N -1.428 106.880 108.800 -0.819 0.000 2.175 237 G HA2 -0.270 4.172 3.960 0.803 0.000 0.244 237 G HA3 -0.270 4.172 3.960 0.803 0.000 0.244 237 G C 0.953 175.420 174.900 -0.721 0.000 0.982 237 G CA 1.106 45.284 45.100 -1.536 0.000 0.641 237 G HN 0.701 nan 8.290 nan 0.000 0.527 238 E N 0.190 120.141 120.200 -0.416 0.000 2.106 238 E HA -0.044 4.788 4.350 0.803 0.000 0.192 238 E C 1.453 177.943 176.600 -0.182 0.000 0.984 238 E CA 1.285 57.548 56.400 -0.228 0.000 0.806 238 E CB 0.076 29.679 29.700 -0.162 0.000 0.750 238 E HN 0.780 nan 8.360 nan 0.000 0.458 239 Q N -1.498 118.180 119.800 -0.203 0.000 3.017 239 Q HA 0.521 5.343 4.340 0.803 0.000 0.299 239 Q C 0.177 176.149 176.000 -0.046 0.000 1.046 239 Q CA -0.295 55.446 55.803 -0.103 0.000 0.821 239 Q CB 1.995 30.679 28.738 -0.091 0.000 1.481 239 Q HN 0.159 nan 8.270 nan 0.000 0.494 240 G N 0.688 109.505 108.800 0.028 0.000 2.697 240 G HA2 -0.166 4.276 3.960 0.803 0.000 0.240 240 G HA3 -0.166 4.276 3.960 0.803 0.000 0.240 240 G C -0.564 174.490 174.900 0.257 0.000 1.346 240 G CA -0.184 44.987 45.100 0.118 0.000 0.887 240 G HN 1.101 nan 8.290 nan 0.000 0.569 241 S N -1.763 114.114 115.700 0.294 0.000 2.588 241 S HA 0.732 5.684 4.470 0.803 0.000 0.275 241 S C -1.152 173.508 174.600 0.101 0.000 1.130 241 S CA -0.536 57.821 58.200 0.263 0.000 0.855 241 S CB 2.334 65.628 63.200 0.157 0.000 1.116 241 S HN 1.820 nan 8.310 nan 0.000 0.472 242 L N 2.706 123.905 121.223 -0.039 0.000 2.319 242 L HA 0.830 5.652 4.340 0.803 0.000 0.281 242 L C -1.386 175.522 176.870 0.063 0.000 1.005 242 L CA -0.534 54.149 54.840 -0.262 0.000 0.828 242 L CB 0.491 42.284 42.059 -0.444 0.000 1.227 242 L HN 0.798 nan 8.230 nan 0.000 0.415 243 F N 3.059 122.933 119.950 -0.127 0.000 2.664 243 F HA 0.926 5.936 4.527 0.804 0.000 0.317 243 F C -0.283 175.486 175.800 -0.053 0.000 1.108 243 F CA -1.391 56.569 58.000 -0.066 0.000 0.957 243 F CB 0.766 39.741 39.000 -0.041 0.000 1.365 243 F HN 0.513 nan 8.300 nan 0.000 0.475 244 A N 1.482 124.342 122.820 0.067 0.000 2.454 244 A HA 0.661 5.463 4.320 0.803 0.000 0.260 244 A C 0.316 177.889 177.584 -0.019 0.000 1.106 244 A CA 0.014 52.036 52.037 -0.025 0.000 0.780 244 A CB -0.685 18.335 19.000 0.033 0.000 1.044 244 A HN 1.443 nan 8.150 nan 0.000 0.498 245 A N 2.555 125.296 122.820 -0.132 0.000 2.406 245 A HA 0.492 5.294 4.320 0.803 0.000 0.243 245 A C 0.853 178.459 177.584 0.035 0.000 1.082 245 A CA 0.372 52.368 52.037 -0.069 0.000 0.786 245 A CB 0.111 19.045 19.000 -0.110 0.000 1.029 245 A HN 1.357 nan 8.150 nan 0.000 0.495 246 S N -0.116 115.630 115.700 0.077 0.000 2.430 246 S HA 0.281 5.233 4.470 0.803 0.000 0.289 246 S C 0.641 175.309 174.600 0.112 0.000 1.143 246 S CA -0.511 57.747 58.200 0.096 0.000 1.067 246 S CB 0.159 63.418 63.200 0.099 0.000 0.964 246 S HN 0.601 nan 8.310 nan 0.000 0.485 247 K N 2.570 123.053 120.400 0.139 0.000 2.374 247 K HA 0.087 4.889 4.320 0.803 0.000 0.196 247 K C -0.037 176.755 176.600 0.320 0.000 1.023 247 K CA -0.168 56.248 56.287 0.215 0.000 1.103 247 K CB 0.160 32.765 32.500 0.176 0.000 0.848 247 K HN 0.592 nan 8.250 nan 0.000 0.528 248 D N 0.917 121.468 120.400 0.251 0.000 2.472 248 D HA -0.059 5.063 4.640 0.803 0.000 0.248 248 D C 0.401 176.777 176.300 0.125 0.000 1.174 248 D CA 0.104 54.225 54.000 0.202 0.000 0.883 248 D CB 1.097 41.975 40.800 0.130 0.000 1.149 248 D HN 0.212 nan 8.370 nan 0.000 0.488 249 A N 3.100 125.954 122.820 0.058 0.000 2.308 249 A HA 0.066 4.868 4.320 0.803 0.000 0.217 249 A C 2.132 179.690 177.584 -0.044 0.000 1.216 249 A CA 0.027 52.072 52.037 0.013 0.000 0.864 249 A CB 0.051 19.049 19.000 -0.004 0.000 0.902 249 A HN 0.520 nan 8.150 nan 0.000 0.499 250 S N 1.080 116.756 115.700 -0.041 0.000 2.392 250 S HA -0.274 4.678 4.470 0.803 0.000 0.232 250 S C 2.146 176.714 174.600 -0.054 0.000 1.041 250 S CA 1.832 60.001 58.200 -0.052 0.000 1.026 250 S CB -0.416 62.764 63.200 -0.034 0.000 0.845 250 S HN 0.878 nan 8.310 nan 0.000 0.465 251 R N 1.569 122.046 120.500 -0.038 0.000 2.139 251 R HA -0.091 4.731 4.340 0.803 0.000 0.243 251 R C 1.905 178.148 176.300 -0.095 0.000 1.145 251 R CA 1.469 57.536 56.100 -0.056 0.000 0.976 251 R CB -0.944 29.341 30.300 -0.024 0.000 0.866 251 R HN 0.358 nan 8.270 nan 0.000 0.449 252 L N 0.697 121.869 121.223 -0.085 0.000 2.131 252 L HA -0.120 4.702 4.340 0.803 0.000 0.210 252 L C 2.623 179.456 176.870 -0.062 0.000 1.092 252 L CA 1.385 56.179 54.840 -0.077 0.000 0.759 252 L CB -0.505 41.399 42.059 -0.258 0.000 0.903 252 L HN 0.200 nan 8.230 nan 0.000 0.435 253 K N 1.061 121.413 120.400 -0.081 0.000 1.984 253 K HA -0.215 4.587 4.320 0.803 0.000 0.209 253 K C 2.001 178.558 176.600 -0.072 0.000 1.046 253 K CA 1.753 58.002 56.287 -0.064 0.000 0.934 253 K CB -0.304 32.157 32.500 -0.065 0.000 0.717 253 K HN 0.250 nan 8.250 nan 0.000 0.438 254 E N 0.071 120.218 120.200 -0.089 0.000 2.070 254 E HA -0.277 4.555 4.350 0.803 0.000 0.197 254 E C 2.010 178.519 176.600 -0.152 0.000 1.004 254 E CA 1.673 58.014 56.400 -0.098 0.000 0.805 254 E CB -0.027 29.619 29.700 -0.090 0.000 0.744 254 E HN 0.491 nan 8.360 nan 0.000 0.451 255 Q N -1.409 118.230 119.800 -0.268 0.000 2.096 255 Q HA -0.112 4.710 4.340 0.803 0.000 0.197 255 Q C 0.947 176.618 176.000 -0.549 0.000 0.964 255 Q CA 1.218 56.710 55.803 -0.518 0.000 0.838 255 Q CB 0.222 28.372 28.738 -0.980 0.000 0.906 255 Q HN 0.441 nan 8.270 nan 0.000 0.444 256 Y N -1.723 118.571 120.300 -0.011 0.000 2.527 256 Y HA 0.352 5.384 4.550 0.803 0.000 0.247 256 Y C 1.021 176.914 175.900 -0.011 0.000 1.138 256 Y CA -0.050 58.055 58.100 0.008 0.000 1.228 256 Y CB 0.961 39.437 38.460 0.027 0.000 1.252 256 Y HN 0.105 nan 8.280 nan 0.000 0.531 257 G N 1.623 110.461 108.800 0.064 0.000 2.249 257 G HA2 -0.309 4.132 3.960 0.803 0.000 0.273 257 G HA3 -0.309 4.132 3.960 0.803 0.000 0.273 257 G C -0.107 174.811 174.900 0.030 0.000 1.036 257 G CA 0.185 45.304 45.100 0.032 0.000 0.824 257 G HN 0.363 nan 8.290 nan 0.000 0.504 258 I N 0.320 120.905 120.570 0.024 0.000 2.353 258 I HA 0.251 4.903 4.170 0.803 0.000 0.293 258 I C 0.438 176.519 176.117 -0.061 0.000 0.992 258 I CA -0.708 60.581 61.300 -0.017 0.000 1.268 258 I CB 1.277 39.243 38.000 -0.057 0.000 1.387 258 I HN 0.187 nan 8.210 nan 0.000 0.478 259 D N 5.679 126.037 120.400 -0.070 0.000 2.390 259 D HA 0.212 5.334 4.640 0.803 0.000 0.249 259 D C -0.881 175.337 176.300 -0.137 0.000 1.144 259 D CA 0.025 53.968 54.000 -0.095 0.000 0.880 259 D CB 0.994 41.736 40.800 -0.097 0.000 1.182 259 D HN 0.103 nan 8.370 nan 0.000 0.451 260 V N 6.030 125.861 119.914 -0.138 0.000 2.313 260 V HA 0.356 4.958 4.120 0.803 0.000 0.278 260 V C -1.862 174.128 176.094 -0.174 0.000 1.017 260 V CA -1.447 60.753 62.300 -0.167 0.000 0.823 260 V CB 0.943 32.687 31.823 -0.132 0.000 1.010 260 V HN 0.652 nan 8.190 nan 0.000 0.443 261 P HA 0.170 nan 4.420 nan 0.000 0.272 261 P C -0.412 176.861 177.300 -0.045 0.000 1.230 261 P CA -0.363 62.626 63.100 -0.186 0.000 0.788 261 P CB 0.472 31.958 31.700 -0.357 0.000 0.949 262 D N 0.478 120.872 120.400 -0.010 0.000 2.472 262 D HA 0.255 5.377 4.640 0.803 0.000 0.237 262 D C 1.173 177.460 176.300 -0.022 0.000 1.141 262 D CA 1.431 55.429 54.000 -0.004 0.000 0.875 262 D CB -0.220 40.609 40.800 0.049 0.000 1.192 262 D HN 0.672 nan 8.370 nan 0.000 0.450 263 G N 2.050 110.726 108.800 -0.206 0.000 2.160 263 G HA2 -0.251 4.191 3.960 0.803 0.000 0.251 263 G HA3 -0.251 4.191 3.960 0.803 0.000 0.251 263 G C -0.101 174.273 174.900 -0.878 0.000 1.008 263 G CA 0.056 44.830 45.100 -0.543 0.000 0.724 263 G HN 0.370 nan 8.290 nan 0.000 0.514 264 F N -0.601 118.864 119.950 -0.808 0.000 2.495 264 F HA 0.831 5.841 4.527 0.804 0.000 0.327 264 F C 0.301 175.656 175.800 -0.742 0.000 1.103 264 F CA -1.177 56.478 58.000 -0.575 0.000 0.949 264 F CB 1.418 40.228 39.000 -0.318 0.000 1.142 264 F HN -0.017 nan 8.300 nan 0.000 0.457 265 F N 0.334 120.250 119.950 -0.056 0.000 2.640 265 F HA 0.561 5.571 4.527 0.804 0.000 0.324 265 F C -0.164 175.763 175.800 0.212 0.000 1.077 265 F CA -1.126 56.903 58.000 0.049 0.000 0.965 265 F CB 0.894 39.892 39.000 -0.004 0.000 1.351 265 F HN 0.270 nan 8.300 nan 0.000 0.487 266 C N 1.091 120.651 119.300 0.433 0.000 2.657 266 C HA 0.252 5.194 4.460 0.803 0.000 0.404 266 C C 0.307 175.526 174.990 0.381 0.000 1.291 266 C CA -0.703 58.538 59.018 0.372 0.000 2.218 266 C CB -0.179 27.738 27.740 0.295 0.000 2.687 266 C HN 0.661 nan 8.230 nan 0.000 0.634 267 E N 0.936 121.293 120.200 0.263 0.000 2.343 267 E HA 0.201 5.033 4.350 0.803 0.000 0.269 267 E C 0.119 176.729 176.600 0.017 0.000 1.047 267 E CA -0.322 56.120 56.400 0.071 0.000 0.874 267 E CB 0.613 30.324 29.700 0.018 0.000 1.033 267 E HN 0.487 nan 8.360 nan 0.000 0.409 268 R N 2.524 122.976 120.500 -0.081 0.000 2.570 268 R HA 0.049 4.871 4.340 0.803 0.000 0.277 268 R C -0.402 175.869 176.300 -0.048 0.000 1.039 268 R CA 0.276 56.339 56.100 -0.063 0.000 1.065 268 R CB 0.512 30.753 30.300 -0.097 0.000 0.964 268 R HN 0.436 nan 8.270 nan 0.000 0.428 269 R N 3.878 124.360 120.500 -0.031 0.000 2.599 269 R HA 0.403 5.225 4.340 0.803 0.000 0.295 269 R C -0.584 175.728 176.300 0.019 0.000 0.963 269 R CA -0.914 55.182 56.100 -0.007 0.000 0.883 269 R CB 2.210 32.505 30.300 -0.009 0.000 1.171 269 R HN 0.666 nan 8.270 nan 0.000 0.450 270 R N 0.300 120.837 120.500 0.062 0.000 2.740 270 R HA 0.288 5.110 4.340 0.803 0.000 0.282 270 R C -0.144 176.246 176.300 0.151 0.000 0.969 270 R CA -0.741 55.405 56.100 0.076 0.000 0.918 270 R CB 2.152 32.458 30.300 0.011 0.000 1.175 270 R HN 0.656 nan 8.270 nan 0.000 0.464 271 T N -0.685 113.942 114.554 0.122 0.000 2.919 271 T HA 0.546 5.378 4.350 0.803 0.000 0.302 271 T C -0.010 174.627 174.700 -0.106 0.000 1.031 271 T CA -0.557 61.517 62.100 -0.044 0.000 1.127 271 T CB 1.263 70.095 68.868 -0.060 0.000 0.952 271 T HN 0.631 nan 8.240 nan 0.000 0.540 272 A N 4.119 126.826 122.820 -0.188 0.000 2.515 272 A HA 0.775 5.577 4.320 0.803 0.000 0.298 272 A C -0.532 176.976 177.584 -0.127 0.000 1.059 272 A CA -1.153 50.818 52.037 -0.110 0.000 0.698 272 A CB 1.666 20.639 19.000 -0.044 0.000 1.289 272 A HN 0.884 nan 8.150 nan 0.000 0.404 273 M N 1.478 121.037 119.600 -0.068 0.000 2.464 273 M HA 0.516 5.478 4.480 0.803 0.000 0.308 273 M C 0.095 176.482 176.300 0.146 0.000 1.127 273 M CA -0.473 54.835 55.300 0.013 0.000 0.913 273 M CB 2.331 34.873 32.600 -0.097 0.000 1.689 273 M HN 0.885 nan 8.290 nan 0.000 0.445 274 G N 0.945 109.904 108.800 0.266 0.000 2.368 274 G HA2 0.644 5.086 3.960 0.803 0.000 0.320 274 G HA3 0.644 5.086 3.960 0.803 0.000 0.320 274 G C -0.180 174.900 174.900 0.300 0.000 1.158 274 G CA -0.489 44.760 45.100 0.248 0.000 0.912 274 G HN 0.857 nan 8.290 nan 0.000 0.456 275 G N 1.800 110.758 108.800 0.263 0.000 2.504 275 G HA2 0.628 5.070 3.960 0.803 0.000 0.288 275 G HA3 0.628 5.070 3.960 0.803 0.000 0.288 275 G C -2.347 172.516 174.900 -0.061 0.000 1.182 275 G CA -1.262 43.867 45.100 0.048 0.000 0.894 275 G HN 0.492 nan 8.290 nan 0.000 0.521 276 P HA 0.026 nan 4.420 nan 0.000 0.269 276 P C 0.338 177.633 177.300 -0.008 0.000 1.252 276 P CA -0.361 62.666 63.100 -0.122 0.000 0.780 276 P CB 0.873 32.483 31.700 -0.150 0.000 0.829 277 F N 5.113 124.997 119.950 -0.110 0.000 2.161 277 F HA -0.205 4.804 4.527 0.803 0.000 0.300 277 F C 2.218 178.002 175.800 -0.027 0.000 1.089 277 F CA 1.840 59.807 58.000 -0.054 0.000 1.282 277 F CB -0.797 38.175 39.000 -0.045 0.000 1.010 277 F HN 0.384 nan 8.300 nan 0.000 0.485 278 A N -0.217 122.516 122.820 -0.144 0.000 1.972 278 A HA -0.151 4.651 4.320 0.803 0.000 0.219 278 A C 2.102 179.568 177.584 -0.196 0.000 1.169 278 A CA 1.691 53.602 52.037 -0.210 0.000 0.635 278 A CB -1.049 17.915 19.000 -0.059 0.000 0.810 278 A HN 0.460 nan 8.150 nan 0.000 0.446 279 L N -0.214 120.934 121.223 -0.126 0.000 2.131 279 L HA 0.004 4.825 4.340 0.803 0.000 0.206 279 L C 1.738 178.550 176.870 -0.097 0.000 1.087 279 L CA 1.840 56.628 54.840 -0.086 0.000 0.767 279 L CB -0.666 41.350 42.059 -0.071 0.000 0.917 279 L HN 0.252 nan 8.230 nan 0.000 0.441 280 N N 0.281 118.915 118.700 -0.110 0.000 2.166 280 N HA -0.110 5.112 4.740 0.803 0.000 0.186 280 N C 1.847 177.296 175.510 -0.102 0.000 1.019 280 N CA 1.337 54.362 53.050 -0.041 0.000 0.856 280 N CB -0.321 38.221 38.487 0.091 0.000 0.993 280 N HN 0.514 nan 8.380 nan 0.000 0.426 281 A N 1.971 124.552 122.820 -0.399 0.000 1.873 281 A HA -0.123 4.679 4.320 0.803 0.000 0.218 281 A C -0.336 177.142 177.584 -0.177 0.000 1.193 281 A CA 1.723 53.515 52.037 -0.408 0.000 0.629 281 A CB -1.646 16.940 19.000 -0.690 0.000 0.826 281 A HN 0.273 nan 8.150 nan 0.000 0.447 282 P HA -0.084 nan 4.420 nan 0.000 0.222 282 P C 1.343 178.968 177.300 0.542 0.000 1.147 282 P CA 0.934 64.064 63.100 0.049 0.000 0.790 282 P CB -0.127 31.724 31.700 0.252 0.000 0.780 283 I N -1.298 119.491 120.570 0.365 0.000 2.400 283 I HA -0.096 4.556 4.170 0.803 0.000 0.248 283 I C 2.618 179.014 176.117 0.466 0.000 1.109 283 I CA 1.051 62.672 61.300 0.536 0.000 1.425 283 I CB -0.503 37.685 38.000 0.313 0.000 1.094 283 I HN -0.186 nan 8.210 nan 0.000 0.425 284 M N 0.464 120.228 119.600 0.273 0.000 2.213 284 M HA -0.158 4.804 4.480 0.803 0.000 0.263 284 M C 2.410 178.834 176.300 0.206 0.000 1.062 284 M CA 1.747 57.177 55.300 0.217 0.000 1.105 284 M CB -0.430 32.270 32.600 0.167 0.000 1.385 284 M HN 0.279 nan 8.290 nan 0.000 0.417 285 A N -0.528 122.421 122.820 0.214 0.000 2.070 285 A HA -0.058 4.744 4.320 0.803 0.000 0.220 285 A C 2.128 179.861 177.584 0.248 0.000 1.159 285 A CA 1.401 53.565 52.037 0.211 0.000 0.656 285 A CB -0.544 18.563 19.000 0.178 0.000 0.800 285 A HN 0.338 nan 8.150 nan 0.000 0.453 286 V N -1.348 118.747 119.914 0.300 0.000 2.795 286 V HA 0.038 4.640 4.120 0.803 0.000 0.243 286 V C 2.859 179.022 176.094 0.116 0.000 1.069 286 V CA 1.093 63.489 62.300 0.159 0.000 1.089 286 V CB -0.604 31.269 31.823 0.084 0.000 0.756 286 V HN 0.528 nan 8.190 nan 0.000 0.471 287 A N -0.008 122.933 122.820 0.202 0.000 1.908 287 A HA -0.303 4.499 4.320 0.803 0.000 0.218 287 A C 2.135 179.721 177.584 0.004 0.000 1.181 287 A CA 2.362 54.463 52.037 0.106 0.000 0.627 287 A CB -0.522 18.591 19.000 0.187 0.000 0.818 287 A HN 0.502 nan 8.150 nan 0.000 0.445 288 Q N 0.173 119.999 119.800 0.044 0.000 2.050 288 Q HA -0.081 4.741 4.340 0.803 0.000 0.202 288 Q C -0.682 175.286 176.000 -0.052 0.000 0.980 288 Q CA 2.346 58.154 55.803 0.009 0.000 0.840 288 Q CB -1.347 27.418 28.738 0.046 0.000 0.898 288 Q HN 0.440 nan 8.270 nan 0.000 0.424 289 P HA -0.145 nan 4.420 nan 0.000 0.216 289 P C 1.234 178.440 177.300 -0.156 0.000 1.150 289 P CA 1.257 64.308 63.100 -0.081 0.000 0.837 289 P CB -0.024 31.642 31.700 -0.057 0.000 0.786 290 V N -0.195 119.586 119.914 -0.222 0.000 2.343 290 V HA -0.246 4.356 4.120 0.803 0.000 0.247 290 V C 2.447 178.305 176.094 -0.395 0.000 1.051 290 V CA 1.797 63.875 62.300 -0.369 0.000 1.036 290 V CB -0.946 30.511 31.823 -0.610 0.000 0.654 290 V HN 0.086 nan 8.190 nan 0.000 0.451 291 R N 0.272 120.543 120.500 -0.382 0.000 2.091 291 R HA -0.154 4.668 4.340 0.803 0.000 0.238 291 R C 2.232 178.218 176.300 -0.524 0.000 1.136 291 R CA 1.682 57.416 56.100 -0.611 0.000 0.959 291 R CB -0.511 29.576 30.300 -0.356 0.000 0.856 291 R HN 0.531 nan 8.270 nan 0.000 0.437 292 N N 0.947 119.504 118.700 -0.239 0.000 2.166 292 N HA -0.187 5.034 4.740 0.803 0.000 0.186 292 N C 1.589 177.008 175.510 -0.151 0.000 1.019 292 N CA 1.177 54.145 53.050 -0.137 0.000 0.856 292 N CB -0.148 38.285 38.487 -0.090 0.000 0.993 292 N HN 0.277 nan 8.380 nan 0.000 0.426 293 K N 1.328 121.622 120.400 -0.177 0.000 2.001 293 K HA -0.047 4.755 4.320 0.803 0.000 0.208 293 K C 2.142 178.676 176.600 -0.110 0.000 1.048 293 K CA 1.061 57.270 56.287 -0.130 0.000 0.932 293 K CB -0.138 32.300 32.500 -0.102 0.000 0.715 293 K HN 0.263 nan 8.250 nan 0.000 0.437 294 I N -1.675 118.786 120.570 -0.181 0.000 2.493 294 I HA -0.173 4.479 4.170 0.803 0.000 0.254 294 I C 1.156 177.313 176.117 0.066 0.000 1.160 294 I CA 1.064 62.333 61.300 -0.052 0.000 1.445 294 I CB -0.380 37.368 38.000 -0.420 0.000 1.086 294 I HN 0.053 nan 8.210 nan 0.000 0.433 295 Y N 1.936 122.206 120.300 -0.051 0.000 2.544 295 Y HA 0.046 5.077 4.550 0.801 0.000 0.286 295 Y C 2.785 178.590 175.900 -0.157 0.000 1.141 295 Y CA 0.106 58.143 58.100 -0.106 0.000 1.299 295 Y CB -0.713 37.581 38.460 -0.277 0.000 1.030 295 Y HN 0.457 nan 8.280 nan 0.000 0.543 296 S N -0.609 115.093 115.700 0.003 0.000 2.583 296 S HA -0.008 4.944 4.470 0.803 0.000 0.203 296 S C 1.966 176.525 174.600 -0.068 0.000 0.952 296 S CA 0.301 58.475 58.200 -0.045 0.000 0.887 296 S CB -0.374 62.783 63.200 -0.073 0.000 0.857 296 S HN 0.196 nan 8.310 nan 0.000 0.611 297 K N 0.273 120.571 120.400 -0.171 0.000 2.097 297 K HA -0.053 4.749 4.320 0.803 0.000 0.206 297 K C 0.273 176.593 176.600 -0.466 0.000 1.049 297 K CA 1.264 57.323 56.287 -0.380 0.000 0.933 297 K CB -0.186 31.947 32.500 -0.612 0.000 0.717 297 K HN 0.532 nan 8.250 nan 0.000 0.442 298 Y N -0.367 120.015 120.300 0.135 0.000 2.774 298 Y HA 0.367 5.399 4.550 0.804 0.000 0.305 298 Y C 1.120 177.116 175.900 0.160 0.000 1.067 298 Y CA -0.364 57.839 58.100 0.172 0.000 1.304 298 Y CB 0.130 38.753 38.460 0.271 0.000 1.209 298 Y HN 0.079 nan 8.280 nan 0.000 0.543 299 A N -0.364 122.580 122.820 0.207 0.000 1.986 299 A HA -0.309 4.493 4.320 0.803 0.000 0.220 299 A C 1.939 179.579 177.584 0.095 0.000 1.171 299 A CA 1.872 54.021 52.037 0.186 0.000 0.640 299 A CB -0.924 18.171 19.000 0.158 0.000 0.811 299 A HN 0.659 nan 8.150 nan 0.000 0.451 300 Y N 0.988 121.292 120.300 0.007 0.000 2.114 300 Y HA -0.238 4.792 4.550 0.800 0.000 0.282 300 Y C 2.635 178.484 175.900 -0.085 0.000 1.165 300 Y CA 2.553 60.633 58.100 -0.034 0.000 1.148 300 Y CB -0.522 37.910 38.460 -0.046 0.000 0.972 300 Y HN 0.306 nan 8.280 nan 0.000 0.504 301 T N -0.422 114.110 114.554 -0.037 0.000 2.937 301 T HA -0.021 4.811 4.350 0.803 0.000 0.260 301 T C 1.220 175.686 174.700 -0.391 0.000 1.051 301 T CA 1.448 63.322 62.100 -0.376 0.000 1.141 301 T CB -0.294 68.001 68.868 -0.955 0.000 0.879 301 T HN 0.333 nan 8.240 nan 0.000 0.459 302 F N -0.744 119.218 119.950 0.019 0.000 2.727 302 F HA 0.283 5.296 4.527 0.810 0.000 0.302 302 F C 1.126 176.770 175.800 -0.259 0.000 1.107 302 F CA -0.458 57.573 58.000 0.052 0.000 1.277 302 F CB 0.412 39.503 39.000 0.152 0.000 1.079 302 F HN 0.160 nan 8.300 nan 0.000 0.594 303 H N 1.879 120.690 119.070 -0.431 0.000 2.641 303 H HA 0.243 5.280 4.556 0.802 0.000 0.295 303 H C -0.848 174.057 175.328 -0.706 0.000 1.070 303 H CA -0.460 55.274 56.048 -0.523 0.000 1.257 303 H CB 0.152 29.787 29.762 -0.212 0.000 1.393 303 H HN 0.055 nan 8.280 nan 0.000 0.464 304 H N 4.005 122.916 119.070 -0.265 0.000 2.547 304 H HA 0.131 5.168 4.556 0.801 0.000 0.342 304 H C 0.480 175.639 175.328 -0.282 0.000 1.048 304 H CA -0.367 55.522 56.048 -0.266 0.000 1.204 304 H CB 2.229 31.919 29.762 -0.119 0.000 1.493 304 H HN 0.756 nan 8.280 nan 0.000 0.511 305 T N -0.575 113.876 114.554 -0.171 0.000 3.463 305 T HA 0.086 4.918 4.350 0.803 0.000 0.203 305 T C 0.936 175.676 174.700 0.067 0.000 0.955 305 T CA 0.456 62.541 62.100 -0.026 0.000 1.230 305 T CB -0.117 68.620 68.868 -0.217 0.000 1.392 305 T HN 0.540 nan 8.240 nan 0.000 0.361 306 T N 0.218 114.734 114.554 -0.064 0.000 2.897 306 T HA 0.461 5.293 4.350 0.803 0.000 0.278 306 T C 1.315 175.939 174.700 -0.127 0.000 0.981 306 T CA -0.780 61.281 62.100 -0.064 0.000 0.973 306 T CB 1.661 70.475 68.868 -0.090 0.000 1.092 306 T HN 0.547 nan 8.240 nan 0.000 0.543 307 R N -0.024 120.406 120.500 -0.117 0.000 2.105 307 R HA -0.058 4.763 4.340 0.803 0.000 0.239 307 R C 1.841 178.094 176.300 -0.078 0.000 1.135 307 R CA 0.897 56.920 56.100 -0.128 0.000 0.967 307 R CB -0.977 29.304 30.300 -0.033 0.000 0.861 307 R HN 0.360 nan 8.270 nan 0.000 0.442 308 L N 1.854 123.041 121.223 -0.061 0.000 2.109 308 L HA -0.076 4.746 4.340 0.803 0.000 0.207 308 L C 2.210 179.038 176.870 -0.071 0.000 1.086 308 L CA 1.730 56.544 54.840 -0.043 0.000 0.760 308 L CB -1.206 40.825 42.059 -0.048 0.000 0.910 308 L HN 0.290 nan 8.230 nan 0.000 0.437 309 N N 0.018 118.655 118.700 -0.105 0.000 2.104 309 N HA -0.237 4.985 4.740 0.803 0.000 0.190 309 N C 1.733 177.155 175.510 -0.147 0.000 1.024 309 N CA 1.636 54.611 53.050 -0.125 0.000 0.853 309 N CB 0.054 38.450 38.487 -0.152 0.000 1.008 309 N HN 0.289 nan 8.380 nan 0.000 0.424 310 K N -0.078 120.203 120.400 -0.198 0.000 2.062 310 K HA -0.083 4.719 4.320 0.803 0.000 0.205 310 K C 1.994 178.539 176.600 -0.092 0.000 1.051 310 K CA 1.085 57.204 56.287 -0.279 0.000 0.941 310 K CB -0.142 31.906 32.500 -0.753 0.000 0.719 310 K HN 0.321 nan 8.250 nan 0.000 0.440 311 E N 1.561 121.810 120.200 0.082 0.000 2.118 311 E HA -0.233 4.599 4.350 0.803 0.000 0.195 311 E C 1.617 178.188 176.600 -0.048 0.000 0.992 311 E CA 1.284 57.783 56.400 0.165 0.000 0.804 311 E CB 0.162 29.951 29.700 0.149 0.000 0.741 311 E HN 0.277 nan 8.360 nan 0.000 0.458 312 E N 0.182 120.339 120.200 -0.071 0.000 2.118 312 E HA -0.213 4.619 4.350 0.803 0.000 0.195 312 E C 2.040 178.563 176.600 -0.128 0.000 0.992 312 E CA 1.384 57.735 56.400 -0.081 0.000 0.804 312 E CB 0.076 29.742 29.700 -0.058 0.000 0.741 312 E HN 0.200 nan 8.360 nan 0.000 0.458 313 K N 0.154 120.423 120.400 -0.218 0.000 2.031 313 K HA -0.052 4.750 4.320 0.803 0.000 0.205 313 K C 2.158 178.339 176.600 -0.698 0.000 1.049 313 K CA 0.994 57.091 56.287 -0.317 0.000 0.939 313 K CB -0.056 32.147 32.500 -0.494 0.000 0.717 313 K HN -0.048 nan 8.250 nan 0.000 0.438 314 V N 2.321 121.732 119.914 -0.838 0.000 2.515 314 V HA -0.205 4.396 4.120 0.803 0.000 0.250 314 V C 2.038 177.776 176.094 -0.594 0.000 1.058 314 V CA 1.539 63.141 62.300 -1.165 0.000 1.064 314 V CB -0.401 31.005 31.823 -0.695 0.000 0.675 314 V HN 0.271 nan 8.190 nan 0.000 0.461 315 K N 0.114 120.320 120.400 -0.324 0.000 2.147 315 K HA -0.171 4.631 4.320 0.803 0.000 0.205 315 K C 1.853 178.423 176.600 -0.050 0.000 1.049 315 K CA 1.298 57.495 56.287 -0.150 0.000 0.936 315 K CB -0.139 32.301 32.500 -0.099 0.000 0.722 315 K HN 0.616 nan 8.250 nan 0.000 0.446 316 E N -0.485 119.688 120.200 -0.046 0.000 2.482 316 E HA -0.093 4.739 4.350 0.803 0.000 0.196 316 E C -0.010 176.777 176.600 0.310 0.000 1.047 316 E CA 0.184 56.656 56.400 0.119 0.000 0.869 316 E CB 0.114 29.913 29.700 0.165 0.000 0.836 316 E HN 0.172 nan 8.360 nan 0.000 0.520 317 W N 0.462 121.804 121.300 0.070 0.000 2.359 317 W HA 0.199 5.382 4.660 0.872 0.000 0.344 317 W C 1.331 177.911 176.519 0.101 0.000 1.170 317 W CA -1.285 56.114 57.345 0.090 0.000 1.296 317 W CB 0.802 30.314 29.460 0.087 0.000 1.197 317 W HN -0.213 nan 8.180 nan 0.000 0.618 318 S N 0.569 116.479 115.700 0.350 0.000 2.486 318 S HA 0.108 5.060 4.470 0.803 0.000 0.220 318 S C -0.063 174.683 174.600 0.243 0.000 1.011 318 S CA 0.154 58.506 58.200 0.254 0.000 0.921 318 S CB 0.086 63.414 63.200 0.212 0.000 0.785 318 S HN 0.265 nan 8.310 nan 0.000 0.517 319 L N 0.394 121.780 121.223 0.271 0.000 2.482 319 L HA 0.633 5.455 4.340 0.803 0.000 0.263 319 L C -1.755 175.315 176.870 0.333 0.000 0.957 319 L CA -0.592 54.352 54.840 0.173 0.000 0.836 319 L CB 1.766 43.733 42.059 -0.154 0.000 1.324 319 L HN 0.078 nan 8.230 nan 0.000 0.406 320 C N 5.079 124.541 119.300 0.270 0.000 2.364 320 C HA 0.853 5.795 4.460 0.803 0.000 0.324 320 C C -0.975 174.042 174.990 0.044 0.000 1.234 320 C CA -0.416 58.821 59.018 0.365 0.000 1.417 320 C CB 0.737 28.732 27.740 0.425 0.000 2.101 320 C HN 0.630 nan 8.230 nan 0.000 0.466 321 V N 6.337 126.273 119.914 0.038 0.000 2.357 321 V HA 0.619 5.221 4.120 0.803 0.000 0.284 321 V C 0.673 176.761 176.094 -0.009 0.000 1.018 321 V CA -0.211 61.962 62.300 -0.213 0.000 0.841 321 V CB 1.326 33.047 31.823 -0.170 0.000 0.991 321 V HN 1.078 nan 8.190 nan 0.000 0.437 322 A N 4.302 127.148 122.820 0.042 0.000 2.343 322 A HA 0.627 5.428 4.320 0.803 0.000 0.305 322 A C 0.692 178.371 177.584 0.158 0.000 1.308 322 A CA -0.232 51.881 52.037 0.125 0.000 0.949 322 A CB -0.058 19.061 19.000 0.198 0.000 1.148 322 A HN 0.886 nan 8.150 nan 0.000 0.545 323 T N -0.084 114.528 114.554 0.096 0.000 2.902 323 T HA 0.623 5.455 4.350 0.803 0.000 0.280 323 T C -0.635 174.167 174.700 0.170 0.000 0.992 323 T CA -0.635 61.551 62.100 0.145 0.000 1.015 323 T CB 1.518 70.443 68.868 0.096 0.000 1.044 323 T HN 0.454 nan 8.240 nan 0.000 0.520 324 D N -0.363 120.151 120.400 0.189 0.000 2.671 324 D HA 0.563 5.685 4.640 0.803 0.000 0.232 324 D C -1.337 175.087 176.300 0.206 0.000 1.114 324 D CA -0.505 53.598 54.000 0.172 0.000 0.858 324 D CB 2.366 43.227 40.800 0.101 0.000 1.544 324 D HN 0.479 nan 8.370 nan 0.000 0.471 325 V N 1.479 121.524 119.914 0.219 0.000 2.540 325 V HA 0.435 5.037 4.120 0.803 0.000 0.302 325 V C 0.227 176.440 176.094 0.199 0.000 1.035 325 V CA -0.905 61.533 62.300 0.229 0.000 0.873 325 V CB 1.717 33.726 31.823 0.309 0.000 0.992 325 V HN 0.558 nan 8.190 nan 0.000 0.428 326 S N 3.218 119.016 115.700 0.164 0.000 2.523 326 S HA 0.202 5.154 4.470 0.803 0.000 0.275 326 S C 0.447 175.249 174.600 0.336 0.000 1.281 326 S CA -0.160 58.159 58.200 0.199 0.000 1.050 326 S CB -0.003 63.295 63.200 0.164 0.000 0.937 326 S HN 0.926 nan 8.310 nan 0.000 0.492 327 D N 2.503 123.084 120.400 0.301 0.000 2.755 327 D HA -0.234 4.888 4.640 0.803 0.000 0.227 327 D C 0.750 177.278 176.300 0.380 0.000 1.211 327 D CA 1.041 55.221 54.000 0.300 0.000 0.663 327 D CB -0.864 40.092 40.800 0.260 0.000 0.983 327 D HN 0.978 nan 8.370 nan 0.000 0.407 328 H N 0.397 119.618 119.070 0.251 0.000 2.289 328 H HA -0.163 4.875 4.556 0.802 0.000 0.296 328 H C 1.394 176.875 175.328 0.254 0.000 1.091 328 H CA 2.523 58.728 56.048 0.262 0.000 1.274 328 H CB 0.311 30.196 29.762 0.205 0.000 1.364 328 H HN 0.170 nan 8.280 nan 0.000 0.490 329 D N -0.814 119.716 120.400 0.217 0.000 2.117 329 D HA -0.140 4.981 4.640 0.803 0.000 0.197 329 D C 2.386 178.702 176.300 0.026 0.000 0.987 329 D CA 2.050 56.105 54.000 0.091 0.000 0.829 329 D CB -0.740 40.106 40.800 0.076 0.000 0.961 329 D HN 0.685 nan 8.370 nan 0.000 0.460 330 T N -2.137 112.424 114.554 0.011 0.000 2.951 330 T HA -0.075 4.757 4.350 0.803 0.000 0.268 330 T C 1.900 176.542 174.700 -0.098 0.000 1.073 330 T CA 0.537 62.590 62.100 -0.078 0.000 1.134 330 T CB -0.640 68.128 68.868 -0.167 0.000 0.884 330 T HN 0.083 nan 8.240 nan 0.000 0.479 331 F N -0.367 119.588 119.950 0.009 0.000 2.743 331 F HA 0.352 5.363 4.527 0.807 0.000 0.297 331 F C 0.867 176.634 175.800 -0.056 0.000 1.131 331 F CA -1.490 56.506 58.000 -0.007 0.000 1.426 331 F CB -0.024 38.977 39.000 0.003 0.000 1.116 331 F HN 0.173 nan 8.300 nan 0.000 0.583 332 W N 5.395 126.621 121.300 -0.122 0.000 2.385 332 W HA 0.063 5.205 4.660 0.803 0.000 0.336 332 W C -2.313 174.059 176.519 -0.245 0.000 1.351 332 W CA -1.833 55.353 57.345 -0.265 0.000 1.295 332 W CB 0.202 29.476 29.460 -0.311 0.000 1.239 332 W HN -0.193 nan 8.180 nan 0.000 0.565 333 P HA 0.120 nan 4.420 nan 0.000 0.287 333 P C 0.566 177.252 177.300 -1.023 0.000 1.281 333 P CA 0.068 62.591 63.100 -0.963 0.000 0.781 333 P CB 1.408 32.211 31.700 -1.494 0.000 0.903 334 G N 3.866 112.430 108.800 -0.394 0.000 2.462 334 G HA2 -0.234 4.208 3.960 0.803 0.000 0.220 334 G HA3 -0.234 4.208 3.960 0.803 0.000 0.220 334 G C 1.229 176.012 174.900 -0.195 0.000 1.121 334 G CA 0.014 45.014 45.100 -0.167 0.000 0.758 334 G HN 0.713 nan 8.290 nan 0.000 0.559 335 W N 0.136 121.315 121.300 -0.202 0.000 2.425 335 W HA 0.079 5.219 4.660 0.799 0.000 0.277 335 W C 1.649 178.001 176.519 -0.279 0.000 1.231 335 W CA 0.385 57.615 57.345 -0.191 0.000 1.248 335 W CB -0.866 28.492 29.460 -0.171 0.000 1.117 335 W HN 0.175 nan 8.180 nan 0.000 0.568 336 L N 2.240 122.946 121.223 -0.861 0.000 2.109 336 L HA -0.059 4.763 4.340 0.803 0.000 0.207 336 L C 3.057 179.760 176.870 -0.279 0.000 1.086 336 L CA 2.024 56.399 54.840 -0.776 0.000 0.760 336 L CB -0.942 40.260 42.059 -1.427 0.000 0.910 336 L HN -0.053 nan 8.230 nan 0.000 0.437 337 R N -0.386 120.001 120.500 -0.189 0.000 2.096 337 R HA -0.206 4.616 4.340 0.803 0.000 0.240 337 R C 1.737 178.108 176.300 0.118 0.000 1.139 337 R CA 2.205 58.414 56.100 0.182 0.000 0.952 337 R CB -0.536 29.902 30.300 0.230 0.000 0.854 337 R HN 0.419 nan 8.270 nan 0.000 0.436 338 D N 0.823 121.263 120.400 0.067 0.000 2.144 338 D HA -0.167 4.955 4.640 0.803 0.000 0.200 338 D C 1.969 178.313 176.300 0.073 0.000 0.978 338 D CA 0.964 55.012 54.000 0.081 0.000 0.833 338 D CB -0.250 40.600 40.800 0.084 0.000 0.961 338 D HN 0.306 nan 8.370 nan 0.000 0.470 339 L N 0.536 121.804 121.223 0.075 0.000 2.046 339 L HA -0.124 4.698 4.340 0.803 0.000 0.208 339 L C 2.283 179.178 176.870 0.043 0.000 1.077 339 L CA 1.014 55.895 54.840 0.070 0.000 0.747 339 L CB -0.139 41.979 42.059 0.098 0.000 0.896 339 L HN -0.077 nan 8.230 nan 0.000 0.432 340 I N -0.807 119.789 120.570 0.043 0.000 2.163 340 I HA -0.377 4.275 4.170 0.803 0.000 0.243 340 I C 2.617 178.689 176.117 -0.076 0.000 1.085 340 I CA 1.387 62.686 61.300 -0.001 0.000 1.347 340 I CB -0.468 37.578 38.000 0.076 0.000 1.044 340 I HN 0.436 nan 8.210 nan 0.000 0.408 341 C N 0.408 119.716 119.300 0.014 0.000 2.429 341 C HA -0.206 4.736 4.460 0.803 0.000 0.277 341 C C 2.583 177.560 174.990 -0.022 0.000 1.262 341 C CA 1.356 60.375 59.018 0.002 0.000 1.733 341 C CB -1.039 26.755 27.740 0.090 0.000 2.010 341 C HN 0.573 nan 8.230 nan 0.000 0.483 342 D N 0.480 120.883 120.400 0.005 0.000 2.097 342 D HA -0.172 4.950 4.640 0.803 0.000 0.195 342 D C 2.096 178.388 176.300 -0.014 0.000 0.989 342 D CA 1.542 55.547 54.000 0.008 0.000 0.827 342 D CB -0.168 40.646 40.800 0.024 0.000 0.966 342 D HN 0.390 nan 8.370 nan 0.000 0.456 343 E N -0.238 119.943 120.200 -0.031 0.000 2.106 343 E HA -0.072 4.760 4.350 0.803 0.000 0.192 343 E C 2.143 178.687 176.600 -0.093 0.000 0.984 343 E CA 0.757 57.132 56.400 -0.042 0.000 0.806 343 E CB -0.308 29.375 29.700 -0.027 0.000 0.750 343 E HN 0.402 nan 8.360 nan 0.000 0.458 344 L N -0.184 120.919 121.223 -0.200 0.000 2.083 344 L HA -0.161 4.661 4.340 0.803 0.000 0.209 344 L C 2.438 179.266 176.870 -0.070 0.000 1.083 344 L CA 0.860 55.517 54.840 -0.305 0.000 0.752 344 L CB -0.416 41.291 42.059 -0.587 0.000 0.899 344 L HN 0.196 nan 8.230 nan 0.000 0.433 345 L N -0.346 120.856 121.223 -0.034 0.000 2.046 345 L HA -0.218 4.604 4.340 0.803 0.000 0.208 345 L C 2.362 179.247 176.870 0.024 0.000 1.077 345 L CA 1.032 55.882 54.840 0.018 0.000 0.747 345 L CB -0.664 41.407 42.059 0.020 0.000 0.896 345 L HN 0.355 nan 8.230 nan 0.000 0.432 346 N N 0.065 118.772 118.700 0.012 0.000 2.166 346 N HA -0.172 5.050 4.740 0.803 0.000 0.186 346 N C 1.765 177.293 175.510 0.031 0.000 1.019 346 N CA 1.454 54.516 53.050 0.019 0.000 0.856 346 N CB -0.252 38.243 38.487 0.014 0.000 0.993 346 N HN 0.380 nan 8.380 nan 0.000 0.426 347 M N -0.846 118.782 119.600 0.046 0.000 2.630 347 M HA 0.095 5.056 4.480 0.803 0.000 0.254 347 M C 0.944 177.295 176.300 0.084 0.000 1.092 347 M CA 0.701 56.049 55.300 0.080 0.000 1.087 347 M CB 0.221 32.901 32.600 0.134 0.000 1.453 347 M HN 0.266 nan 8.290 nan 0.000 0.509 348 G N -0.432 108.410 108.800 0.071 0.000 2.144 348 G HA2 -0.255 4.187 3.960 0.803 0.000 0.218 348 G HA3 -0.255 4.187 3.960 0.803 0.000 0.218 348 G C -0.195 174.703 174.900 -0.002 0.000 0.988 348 G CA -0.682 44.432 45.100 0.024 0.000 0.659 348 G HN 0.438 nan 8.290 nan 0.000 0.522 349 Y N 1.138 121.360 120.300 -0.130 0.000 2.480 349 Y HA 0.375 5.407 4.550 0.804 0.000 0.338 349 Y C 1.413 177.182 175.900 -0.219 0.000 1.220 349 Y CA 0.331 58.309 58.100 -0.204 0.000 1.430 349 Y CB 0.756 39.092 38.460 -0.207 0.000 1.311 349 Y HN 0.530 nan 8.280 nan 0.000 0.575 350 A N 6.181 128.833 122.820 -0.279 0.000 2.566 350 A HA 0.031 4.833 4.320 0.803 0.000 0.245 350 A C -1.744 175.647 177.584 -0.320 0.000 1.056 350 A CA -0.999 50.782 52.037 -0.428 0.000 0.757 350 A CB -0.185 18.181 19.000 -1.057 0.000 0.979 350 A HN 0.657 nan 8.150 nan 0.000 0.508 351 P HA -0.162 nan 4.420 nan 0.000 0.217 351 P C 1.589 178.925 177.300 0.059 0.000 1.150 351 P CA 1.740 64.843 63.100 0.005 0.000 0.832 351 P CB -0.107 31.637 31.700 0.072 0.000 0.787 352 W N -1.790 119.585 121.300 0.126 0.000 2.363 352 W HA -0.125 5.018 4.660 0.805 0.000 0.296 352 W C 1.852 178.469 176.519 0.164 0.000 1.212 352 W CA 0.296 57.708 57.345 0.111 0.000 1.260 352 W CB -1.836 27.676 29.460 0.086 0.000 1.131 352 W HN 0.058 nan 8.180 nan 0.000 0.530 353 W N 2.186 123.230 121.300 -0.426 0.000 2.409 353 W HA -0.098 5.043 4.660 0.802 0.000 0.299 353 W C 2.402 178.918 176.519 -0.005 0.000 1.203 353 W CA 2.546 59.742 57.345 -0.249 0.000 1.298 353 W CB -0.611 28.436 29.460 -0.688 0.000 1.127 353 W HN -0.285 nan 8.180 nan 0.000 0.528 354 V N 1.301 121.306 119.914 0.152 0.000 2.407 354 V HA -0.296 4.306 4.120 0.803 0.000 0.248 354 V C 2.292 178.401 176.094 0.025 0.000 1.055 354 V CA 2.215 64.568 62.300 0.087 0.000 1.049 354 V CB -0.989 30.896 31.823 0.103 0.000 0.662 354 V HN 0.047 nan 8.190 nan 0.000 0.455 355 K N 0.430 120.866 120.400 0.060 0.000 2.097 355 K HA -0.079 4.723 4.320 0.803 0.000 0.205 355 K C 1.880 178.517 176.600 0.062 0.000 1.050 355 K CA 1.495 57.837 56.287 0.092 0.000 0.938 355 K CB -0.516 32.060 32.500 0.127 0.000 0.718 355 K HN 0.415 nan 8.250 nan 0.000 0.442 356 L N -0.584 120.634 121.223 -0.008 0.000 2.046 356 L HA -0.128 4.694 4.340 0.803 0.000 0.208 356 L C 2.226 179.012 176.870 -0.140 0.000 1.077 356 L CA 1.297 56.104 54.840 -0.054 0.000 0.747 356 L CB -0.499 41.498 42.059 -0.103 0.000 0.896 356 L HN 0.141 nan 8.230 nan 0.000 0.432 357 F N 0.959 120.618 119.950 -0.485 0.000 2.102 357 F HA -0.253 4.755 4.527 0.802 0.000 0.298 357 F C 2.664 178.359 175.800 -0.176 0.000 1.105 357 F CA 1.992 59.724 58.000 -0.447 0.000 1.239 357 F CB -0.175 38.395 39.000 -0.717 0.000 0.991 357 F HN 0.105 nan 8.300 nan 0.000 0.474 358 E N -0.607 119.611 120.200 0.029 0.000 2.058 358 E HA -0.224 4.608 4.350 0.803 0.000 0.194 358 E C 1.979 178.558 176.600 -0.035 0.000 0.997 358 E CA 1.996 58.408 56.400 0.020 0.000 0.801 358 E CB -0.283 29.471 29.700 0.091 0.000 0.746 358 E HN 0.396 nan 8.360 nan 0.000 0.450 359 T N 0.400 114.957 114.554 0.005 0.000 2.788 359 T HA -0.159 4.673 4.350 0.803 0.000 0.268 359 T C 2.012 176.683 174.700 -0.049 0.000 1.044 359 T CA 1.472 63.581 62.100 0.014 0.000 1.139 359 T CB -0.335 68.619 68.868 0.143 0.000 0.867 359 T HN 0.325 nan 8.240 nan 0.000 0.454 360 S N 1.188 116.825 115.700 -0.106 0.000 2.474 360 S HA 0.056 5.008 4.470 0.803 0.000 0.235 360 S C 1.538 176.118 174.600 -0.033 0.000 0.997 360 S CA 0.633 58.778 58.200 -0.092 0.000 0.949 360 S CB -0.544 62.555 63.200 -0.167 0.000 0.766 360 S HN 0.476 nan 8.310 nan 0.000 0.517 361 L N 0.155 121.300 121.223 -0.130 0.000 2.741 361 L HA 0.396 5.218 4.340 0.803 0.000 0.237 361 L C 1.071 177.931 176.870 -0.018 0.000 1.178 361 L CA -0.013 54.762 54.840 -0.107 0.000 0.973 361 L CB 0.123 42.069 42.059 -0.188 0.000 1.255 361 L HN 0.218 nan 8.230 nan 0.000 0.498 362 K N -0.535 119.864 120.400 -0.001 0.000 2.553 362 K HA 0.255 5.056 4.320 0.803 0.000 0.205 362 K C -0.212 176.384 176.600 -0.006 0.000 1.168 362 K CA -0.502 55.781 56.287 -0.007 0.000 1.043 362 K CB 1.290 33.765 32.500 -0.042 0.000 0.967 362 K HN 0.020 nan 8.250 nan 0.000 0.585 363 L N 2.959 124.211 121.223 0.049 0.000 2.461 363 L HA 0.152 4.974 4.340 0.803 0.000 0.272 363 L C -2.316 174.607 176.870 0.088 0.000 1.197 363 L CA -1.406 53.453 54.840 0.030 0.000 0.836 363 L CB 0.139 42.188 42.059 -0.016 0.000 1.105 363 L HN -0.113 nan 8.230 nan 0.000 0.477 364 P HA 0.155 nan 4.420 nan 0.000 0.271 364 P C -1.577 175.815 177.300 0.153 0.000 1.233 364 P CA -0.124 63.025 63.100 0.082 0.000 0.789 364 P CB 0.649 32.376 31.700 0.044 0.000 0.951 365 V N -0.960 119.062 119.914 0.180 0.000 2.638 365 V HA 0.503 5.104 4.120 0.803 0.000 0.306 365 V C -1.485 174.743 176.094 0.222 0.000 1.052 365 V CA -0.996 61.428 62.300 0.207 0.000 0.885 365 V CB 1.599 33.509 31.823 0.145 0.000 0.999 365 V HN 0.397 nan 8.190 nan 0.000 0.424 366 Y N 4.271 124.646 120.300 0.126 0.000 2.353 366 Y HA 0.708 5.740 4.550 0.803 0.000 0.340 366 Y C -0.220 175.671 175.900 -0.014 0.000 0.972 366 Y CA -0.598 57.587 58.100 0.142 0.000 1.157 366 Y CB 1.578 40.202 38.460 0.273 0.000 1.157 366 Y HN 0.683 nan 8.280 nan 0.000 0.495 367 V N 8.009 127.577 119.914 -0.577 0.000 2.406 367 V HA 0.278 4.880 4.120 0.803 0.000 0.272 367 V C 0.828 176.418 176.094 -0.839 0.000 1.043 367 V CA 0.549 62.478 62.300 -0.619 0.000 0.915 367 V CB 0.690 32.148 31.823 -0.607 0.000 0.988 367 V HN 1.092 nan 8.190 nan 0.000 0.466 368 G N 3.829 112.263 108.800 -0.609 0.000 2.648 368 G HA2 0.372 4.814 3.960 0.803 0.000 0.217 368 G HA3 0.372 4.814 3.960 0.803 0.000 0.217 368 G C 0.386 174.966 174.900 -0.534 0.000 1.386 368 G CA 0.608 45.414 45.100 -0.490 0.000 0.920 368 G HN 1.025 nan 8.290 nan 0.000 0.540 369 A N 0.364 123.075 122.820 -0.181 0.000 2.984 369 A HA 0.645 5.447 4.320 0.803 0.000 0.320 369 A C -1.699 175.917 177.584 0.053 0.000 1.142 369 A CA -0.829 51.173 52.037 -0.058 0.000 0.772 369 A CB 1.404 20.473 19.000 0.114 0.000 1.195 369 A HN 0.213 nan 8.150 nan 0.000 0.459 370 P HA 0.171 nan 4.420 nan 0.000 0.229 370 P C 0.475 177.654 177.300 -0.202 0.000 1.160 370 P CA 1.559 64.378 63.100 -0.469 0.000 0.777 370 P CB 0.380 31.707 31.700 -0.622 0.000 0.814 371 A N -1.472 121.305 122.820 -0.073 0.000 2.544 371 A HA 0.576 5.378 4.320 0.803 0.000 0.291 371 A C -3.191 174.221 177.584 -0.287 0.000 1.055 371 A CA -1.356 50.479 52.037 -0.337 0.000 0.651 371 A CB 0.156 19.024 19.000 -0.220 0.000 1.296 371 A HN -0.275 nan 8.150 nan 0.000 0.431 372 P HA 0.379 nan 4.420 nan 0.000 0.266 372 P C -0.292 176.992 177.300 -0.026 0.000 1.195 372 P CA 1.158 64.154 63.100 -0.172 0.000 0.768 372 P CB 0.428 31.996 31.700 -0.221 0.000 0.838 373 E N -0.782 119.460 120.200 0.070 0.000 2.971 373 E HA -0.243 4.589 4.350 0.803 0.000 0.278 373 E C -0.443 176.225 176.600 0.113 0.000 1.009 373 E CA 1.294 57.743 56.400 0.082 0.000 0.862 373 E CB -1.806 27.917 29.700 0.038 0.000 1.436 373 E HN 0.578 nan 8.360 nan 0.000 0.434 374 Q N -1.491 118.395 119.800 0.143 0.000 2.423 374 Q HA 0.669 5.491 4.340 0.803 0.000 0.278 374 Q C 0.484 176.573 176.000 0.147 0.000 1.097 374 Q CA -0.433 55.485 55.803 0.191 0.000 0.809 374 Q CB 2.474 31.338 28.738 0.211 0.000 1.391 374 Q HN 0.243 nan 8.270 nan 0.000 0.428 375 G N 0.140 109.062 108.800 0.202 0.000 2.384 375 G HA2 -0.190 4.251 3.960 0.803 0.000 0.200 375 G HA3 -0.190 4.251 3.960 0.803 0.000 0.200 375 G C -1.106 173.742 174.900 -0.087 0.000 1.205 375 G CA -0.230 44.779 45.100 -0.151 0.000 1.116 375 G HN 0.910 nan 8.290 nan 0.000 0.547 376 H N -0.436 118.568 119.070 -0.110 0.000 2.592 376 H HA -0.033 5.005 4.556 0.804 0.000 0.323 376 H C 0.115 175.426 175.328 -0.028 0.000 1.117 376 H CA 1.388 57.400 56.048 -0.061 0.000 1.120 376 H CB -1.769 28.061 29.762 0.113 0.000 1.561 376 H HN 0.781 nan 8.280 nan 0.000 0.409 377 T N 0.865 115.289 114.554 -0.216 0.000 2.971 377 T HA 0.416 5.248 4.350 0.803 0.000 0.304 377 T C -0.349 174.389 174.700 0.064 0.000 1.038 377 T CA -0.906 61.254 62.100 0.099 0.000 1.007 377 T CB 1.962 71.020 68.868 0.315 0.000 1.055 377 T HN 0.244 nan 8.240 nan 0.000 0.451 378 L N 4.341 125.765 121.223 0.336 0.000 2.276 378 L HA 0.595 5.417 4.340 0.803 0.000 0.286 378 L C -1.136 175.969 176.870 0.391 0.000 1.061 378 L CA -0.305 54.790 54.840 0.425 0.000 0.807 378 L CB 0.144 42.526 42.059 0.537 0.000 1.177 378 L HN 0.582 nan 8.230 nan 0.000 0.429 379 L N 6.236 127.645 121.223 0.310 0.000 2.272 379 L HA 0.816 5.638 4.340 0.803 0.000 0.289 379 L C 0.562 177.566 176.870 0.222 0.000 1.032 379 L CA -0.384 54.607 54.840 0.252 0.000 0.810 379 L CB 0.944 43.133 42.059 0.218 0.000 1.205 379 L HN 0.927 nan 8.230 nan 0.000 0.422 380 G N 2.148 111.080 108.800 0.221 0.000 2.675 380 G HA2 -0.151 4.291 3.960 0.803 0.000 0.686 380 G HA3 -0.151 4.291 3.960 0.803 0.000 0.686 380 G C -1.428 173.653 174.900 0.302 0.000 1.215 380 G CA -0.875 44.341 45.100 0.192 0.000 0.777 380 G HN 0.654 nan 8.290 nan 0.000 0.638 381 D N 1.729 122.255 120.400 0.210 0.000 2.329 381 D HA 0.567 5.689 4.640 0.803 0.000 0.232 381 D C -1.067 175.207 176.300 -0.044 0.000 1.088 381 D CA -2.292 51.787 54.000 0.131 0.000 0.835 381 D CB 1.787 42.687 40.800 0.167 0.000 1.078 381 D HN 0.018 nan 8.370 nan 0.000 0.495 382 P HA -0.038 nan 4.420 nan 0.000 0.225 382 P C 1.070 178.285 177.300 -0.142 0.000 1.148 382 P CA 0.618 63.608 63.100 -0.184 0.000 0.779 382 P CB 0.407 31.935 31.700 -0.288 0.000 0.780 383 S N -1.454 114.191 115.700 -0.091 0.000 2.447 383 S HA -0.047 4.905 4.470 0.803 0.000 0.233 383 S C 1.003 175.600 174.600 -0.006 0.000 1.006 383 S CA 0.878 59.083 58.200 0.008 0.000 0.957 383 S CB -0.464 62.746 63.200 0.016 0.000 0.773 383 S HN 0.154 nan 8.310 nan 0.000 0.507 384 N N 0.956 119.564 118.700 -0.153 0.000 2.710 384 N HA 0.276 5.498 4.740 0.803 0.000 0.244 384 N C -3.361 171.935 175.510 -0.358 0.000 1.321 384 N CA -1.388 51.484 53.050 -0.296 0.000 0.758 384 N CB 1.196 39.638 38.487 -0.075 0.000 1.284 384 N HN -0.050 nan 8.380 nan 0.000 0.530 385 P HA 0.051 nan 4.420 nan 0.000 0.258 385 P C -0.236 176.927 177.300 -0.229 0.000 1.187 385 P CA 0.485 63.370 63.100 -0.359 0.000 0.767 385 P CB 0.376 31.815 31.700 -0.435 0.000 0.770 386 D N 2.301 122.634 120.400 -0.113 0.000 2.740 386 D HA 0.048 5.170 4.640 0.803 0.000 0.305 386 D C -0.226 176.061 176.300 -0.022 0.000 1.583 386 D CA -0.020 53.944 54.000 -0.059 0.000 0.790 386 D CB -0.708 40.065 40.800 -0.046 0.000 1.187 386 D HN 0.172 nan 8.370 nan 0.000 0.447 387 L N 0.196 121.412 121.223 -0.012 0.000 2.466 387 L HA 0.370 5.192 4.340 0.803 0.000 0.257 387 L C 0.600 177.476 176.870 0.011 0.000 1.189 387 L CA -0.110 54.734 54.840 0.008 0.000 0.813 387 L CB 0.876 42.951 42.059 0.027 0.000 1.118 387 L HN -0.030 nan 8.230 nan 0.000 0.471 388 E N 1.498 121.706 120.200 0.013 0.000 3.898 388 E HA 0.085 4.917 4.350 0.803 0.000 0.219 388 E C 0.593 177.202 176.600 0.015 0.000 1.207 388 E CA -0.025 56.387 56.400 0.021 0.000 1.240 388 E CB 1.157 30.868 29.700 0.019 0.000 1.239 388 E HN 0.520 nan 8.360 nan 0.000 0.422 389 V N -1.514 118.404 119.914 0.007 0.000 3.380 389 V HA 0.299 4.901 4.120 0.803 0.000 0.268 389 V C 0.998 177.084 176.094 -0.014 0.000 1.168 389 V CA 1.132 63.424 62.300 -0.014 0.000 1.156 389 V CB -0.559 31.239 31.823 -0.041 0.000 0.785 389 V HN 0.500 nan 8.190 nan 0.000 0.487 390 G N 0.193 109.016 108.800 0.038 0.000 2.709 390 G HA2 -0.165 4.277 3.960 0.803 0.000 0.228 390 G HA3 -0.165 4.277 3.960 0.803 0.000 0.228 390 G C -0.627 174.309 174.900 0.061 0.000 1.215 390 G CA -0.094 45.074 45.100 0.114 0.000 1.003 390 G HN 0.540 nan 8.290 nan 0.000 0.584 391 L N 1.811 122.970 121.223 -0.108 0.000 2.298 391 L HA 0.591 5.413 4.340 0.803 0.000 0.284 391 L C 0.289 176.956 176.870 -0.339 0.000 1.013 391 L CA -0.575 54.007 54.840 -0.430 0.000 0.824 391 L CB 1.504 43.171 42.059 -0.653 0.000 1.221 391 L HN 0.610 nan 8.230 nan 0.000 0.418 392 S N 1.372 116.815 115.700 -0.427 0.000 2.528 392 S HA 0.012 4.964 4.470 0.803 0.000 0.277 392 S C 1.288 175.640 174.600 -0.413 0.000 1.297 392 S CA -0.189 57.684 58.200 -0.545 0.000 1.052 392 S CB 1.471 63.993 63.200 -1.130 0.000 0.917 392 S HN 0.822 nan 8.310 nan 0.000 0.492 393 S N 2.809 118.332 115.700 -0.294 0.000 2.419 393 S HA -0.070 4.882 4.470 0.803 0.000 0.233 393 S C 1.504 176.042 174.600 -0.103 0.000 1.016 393 S CA 0.815 58.919 58.200 -0.161 0.000 0.974 393 S CB -0.391 62.751 63.200 -0.098 0.000 0.786 393 S HN 0.831 nan 8.310 nan 0.000 0.492 394 G N 0.663 109.397 108.800 -0.110 0.000 3.434 394 G HA2 0.193 4.635 3.960 0.803 0.000 0.258 394 G HA3 0.193 4.635 3.960 0.803 0.000 0.258 394 G C 0.159 175.162 174.900 0.172 0.000 1.128 394 G CA -0.472 44.673 45.100 0.075 0.000 0.792 394 G HN 0.440 nan 8.290 nan 0.000 0.539 395 Q N 0.477 120.298 119.800 0.034 0.000 2.373 395 Q HA 0.173 4.995 4.340 0.803 0.000 0.255 395 Q C 1.511 177.558 176.000 0.077 0.000 0.980 395 Q CA 0.223 56.083 55.803 0.095 0.000 0.882 395 Q CB 1.338 30.021 28.738 -0.092 0.000 1.249 395 Q HN 0.129 nan 8.270 nan 0.000 0.438 396 G N 2.207 111.072 108.800 0.108 0.000 2.586 396 G HA2 -0.028 4.414 3.960 0.803 0.000 0.215 396 G HA3 -0.028 4.414 3.960 0.803 0.000 0.215 396 G C 0.595 175.594 174.900 0.165 0.000 1.128 396 G CA 0.730 45.918 45.100 0.148 0.000 0.774 396 G HN 0.599 nan 8.290 nan 0.000 0.543 397 A N -0.147 122.757 122.820 0.140 0.000 2.568 397 A HA 0.425 5.227 4.320 0.803 0.000 0.287 397 A C 1.872 179.499 177.584 0.073 0.000 0.967 397 A CA 0.946 53.091 52.037 0.180 0.000 1.004 397 A CB -0.405 18.844 19.000 0.415 0.000 1.233 397 A HN 0.266 nan 8.150 nan 0.000 0.513 398 T N -0.682 113.865 114.554 -0.011 0.000 2.759 398 T HA -0.243 4.589 4.350 0.803 0.000 0.269 398 T C 1.512 176.186 174.700 -0.043 0.000 1.042 398 T CA 1.792 63.831 62.100 -0.102 0.000 1.140 398 T CB -0.542 68.252 68.868 -0.123 0.000 0.864 398 T HN 0.554 nan 8.240 nan 0.000 0.455 399 D N 2.129 122.539 120.400 0.017 0.000 2.117 399 D HA -0.119 5.003 4.640 0.803 0.000 0.197 399 D C 2.206 178.533 176.300 0.044 0.000 0.987 399 D CA 0.955 54.980 54.000 0.040 0.000 0.829 399 D CB -0.829 40.017 40.800 0.076 0.000 0.961 399 D HN 0.453 nan 8.370 nan 0.000 0.460 400 L N -0.629 120.619 121.223 0.041 0.000 2.083 400 L HA -0.112 4.710 4.340 0.803 0.000 0.209 400 L C 2.794 179.747 176.870 0.138 0.000 1.083 400 L CA 0.771 55.631 54.840 0.033 0.000 0.752 400 L CB -0.403 41.678 42.059 0.037 0.000 0.899 400 L HN -0.015 nan 8.230 nan 0.000 0.433 401 M N -0.369 119.318 119.600 0.145 0.000 2.117 401 M HA -0.094 4.868 4.480 0.803 0.000 0.262 401 M C 2.382 178.903 176.300 0.369 0.000 1.065 401 M CA 1.883 57.315 55.300 0.219 0.000 1.114 401 M CB -1.708 30.773 32.600 -0.197 0.000 1.361 401 M HN 0.297 nan 8.290 nan 0.000 0.408 402 G N -0.659 108.271 108.800 0.217 0.000 2.403 402 G HA2 -0.147 4.295 3.960 0.803 0.000 0.216 402 G HA3 -0.147 4.295 3.960 0.803 0.000 0.216 402 G C 1.558 176.647 174.900 0.315 0.000 1.154 402 G CA 1.245 46.580 45.100 0.390 0.000 0.784 402 G HN 0.398 nan 8.290 nan 0.000 0.538 403 T N 1.369 116.046 114.554 0.205 0.000 2.746 403 T HA -0.109 4.723 4.350 0.803 0.000 0.267 403 T C 2.199 177.055 174.700 0.261 0.000 1.039 403 T CA 1.137 63.360 62.100 0.205 0.000 1.142 403 T CB -0.206 68.686 68.868 0.040 0.000 0.866 403 T HN 0.142 nan 8.240 nan 0.000 0.444 404 L N 1.712 123.089 121.223 0.258 0.000 2.017 404 L HA 0.071 4.893 4.340 0.803 0.000 0.208 404 L C 2.197 179.308 176.870 0.402 0.000 1.073 404 L CA 1.651 56.700 54.840 0.347 0.000 0.745 404 L CB -1.613 40.660 42.059 0.357 0.000 0.894 404 L HN 0.240 nan 8.230 nan 0.000 0.432 405 L N -0.416 121.042 121.223 0.392 0.000 1.989 405 L HA -0.213 4.609 4.340 0.803 0.000 0.211 405 L C 2.370 179.392 176.870 0.253 0.000 1.071 405 L CA 2.109 57.128 54.840 0.298 0.000 0.749 405 L CB -0.591 41.593 42.059 0.210 0.000 0.890 405 L HN 0.241 nan 8.230 nan 0.000 0.431 406 M N -1.107 118.625 119.600 0.220 0.000 2.175 406 M HA -0.105 4.857 4.480 0.803 0.000 0.264 406 M C 2.607 178.821 176.300 -0.143 0.000 1.063 406 M CA 1.711 56.963 55.300 -0.080 0.000 1.119 406 M CB -1.702 30.910 32.600 0.019 0.000 1.377 406 M HN 0.478 nan 8.290 nan 0.000 0.415 407 S N 0.779 116.657 115.700 0.295 0.000 2.359 407 S HA -0.092 4.860 4.470 0.803 0.000 0.224 407 S C 1.864 176.698 174.600 0.391 0.000 1.035 407 S CA 0.989 59.506 58.200 0.528 0.000 1.018 407 S CB -0.001 63.670 63.200 0.785 0.000 0.876 407 S HN 0.272 nan 8.310 nan 0.000 0.448 408 I N 1.502 122.223 120.570 0.252 0.000 2.315 408 I HA -0.078 4.574 4.170 0.803 0.000 0.248 408 I C 2.473 178.547 176.117 -0.072 0.000 1.117 408 I CA 1.322 62.600 61.300 -0.037 0.000 1.404 408 I CB -2.144 35.621 38.000 -0.392 0.000 1.071 408 I HN 0.303 nan 8.210 nan 0.000 0.419 409 T N 0.737 115.297 114.554 0.011 0.000 2.720 409 T HA -0.198 4.634 4.350 0.803 0.000 0.268 409 T C 1.864 176.629 174.700 0.109 0.000 1.037 409 T CA 1.592 63.747 62.100 0.091 0.000 1.144 409 T CB -0.323 68.577 68.868 0.053 0.000 0.864 409 T HN 0.197 nan 8.240 nan 0.000 0.444 410 Y N 0.771 121.206 120.300 0.225 0.000 2.263 410 Y HA 0.125 5.154 4.550 0.799 0.000 0.292 410 Y C 2.128 178.103 175.900 0.124 0.000 1.130 410 Y CA -0.284 57.932 58.100 0.193 0.000 1.179 410 Y CB -1.028 37.550 38.460 0.197 0.000 0.998 410 Y HN 0.109 nan 8.280 nan 0.000 0.532 411 L N -0.356 120.991 121.223 0.207 0.000 2.012 411 L HA -0.142 4.680 4.340 0.803 0.000 0.210 411 L C 2.126 178.965 176.870 -0.051 0.000 1.073 411 L CA 1.504 56.304 54.840 -0.065 0.000 0.748 411 L CB -1.008 40.861 42.059 -0.316 0.000 0.891 411 L HN 0.045 nan 8.230 nan 0.000 0.431 412 V N -0.288 119.625 119.914 -0.002 0.000 2.343 412 V HA -0.352 4.250 4.120 0.803 0.000 0.247 412 V C 2.661 178.817 176.094 0.102 0.000 1.051 412 V CA 2.263 64.579 62.300 0.028 0.000 1.036 412 V CB -0.578 31.312 31.823 0.112 0.000 0.654 412 V HN 0.605 nan 8.190 nan 0.000 0.451 413 M N -0.679 119.044 119.600 0.205 0.000 2.159 413 M HA -0.265 4.697 4.480 0.803 0.000 0.263 413 M C 2.333 178.830 176.300 0.328 0.000 1.063 413 M CA 1.876 57.367 55.300 0.318 0.000 1.110 413 M CB -0.126 32.697 32.600 0.373 0.000 1.374 413 M HN 0.381 nan 8.290 nan 0.000 0.411 414 Q N -0.046 119.895 119.800 0.235 0.000 2.119 414 Q HA -0.128 4.694 4.340 0.803 0.000 0.201 414 Q C 2.039 178.129 176.000 0.149 0.000 0.972 414 Q CA 1.343 57.292 55.803 0.243 0.000 0.847 414 Q CB -0.126 28.635 28.738 0.038 0.000 0.903 414 Q HN 0.543 nan 8.270 nan 0.000 0.433 415 L N 0.679 121.914 121.223 0.021 0.000 2.017 415 L HA -0.219 4.603 4.340 0.803 0.000 0.208 415 L C 1.862 178.699 176.870 -0.054 0.000 1.073 415 L CA 1.037 55.837 54.840 -0.067 0.000 0.745 415 L CB -0.434 41.538 42.059 -0.145 0.000 0.894 415 L HN 0.193 nan 8.230 nan 0.000 0.432 416 D N -0.910 119.449 120.400 -0.069 0.000 2.104 416 D HA -0.178 4.944 4.640 0.803 0.000 0.194 416 D C 2.041 178.183 176.300 -0.263 0.000 0.994 416 D CA 1.402 55.275 54.000 -0.210 0.000 0.830 416 D CB -0.144 40.439 40.800 -0.362 0.000 0.959 416 D HN 0.414 nan 8.370 nan 0.000 0.452 417 H N -1.618 117.506 119.070 0.089 0.000 2.622 417 H HA 0.175 5.204 4.556 0.788 0.000 0.269 417 H C 1.461 176.856 175.328 0.112 0.000 0.977 417 H CA 1.314 57.420 56.048 0.096 0.000 1.179 417 H CB 0.906 30.735 29.762 0.110 0.000 1.458 417 H HN 0.266 nan 8.280 nan 0.000 0.531 418 T N -3.616 111.085 114.554 0.245 0.000 3.073 418 T HA 0.378 5.210 4.350 0.803 0.000 0.264 418 T C 0.946 175.789 174.700 0.239 0.000 0.893 418 T CA 0.284 62.542 62.100 0.263 0.000 0.863 418 T CB 0.210 69.350 68.868 0.452 0.000 1.247 418 T HN 0.137 nan 8.240 nan 0.000 0.546 419 A N 2.553 125.435 122.820 0.103 0.000 3.176 419 A HA 0.609 5.411 4.320 0.803 0.000 0.265 419 A C -1.574 175.833 177.584 -0.294 0.000 0.936 419 A CA -0.967 50.985 52.037 -0.141 0.000 1.033 419 A CB 0.577 19.448 19.000 -0.216 0.000 1.158 419 A HN 0.283 nan 8.150 nan 0.000 0.485 420 P HA -0.223 nan 4.420 nan 0.000 0.221 420 P C 0.989 178.238 177.300 -0.084 0.000 1.145 420 P CA 1.329 64.383 63.100 -0.077 0.000 0.795 420 P CB -0.340 31.360 31.700 0.000 0.000 0.775 421 H N -0.751 118.305 119.070 -0.024 0.000 2.559 421 H HA 0.096 5.082 4.556 0.716 0.000 0.273 421 H C 1.601 176.897 175.328 -0.052 0.000 1.000 421 H CA 0.347 56.380 56.048 -0.026 0.000 1.195 421 H CB -0.940 28.823 29.762 0.002 0.000 1.368 421 H HN 0.209 nan 8.280 nan 0.000 0.592 422 L N 0.368 121.335 121.223 -0.427 0.000 2.529 422 L HA 0.017 4.839 4.340 0.803 0.000 0.223 422 L C 1.651 178.288 176.870 -0.388 0.000 1.113 422 L CA -0.074 54.546 54.840 -0.365 0.000 0.861 422 L CB -0.156 41.644 42.059 -0.431 0.000 1.012 422 L HN 0.102 nan 8.230 nan 0.000 0.461 423 N N 0.551 119.073 118.700 -0.295 0.000 2.205 423 N HA -0.179 5.043 4.740 0.803 0.000 0.186 423 N C 2.057 177.435 175.510 -0.221 0.000 1.015 423 N CA 1.783 54.673 53.050 -0.267 0.000 0.862 423 N CB -0.197 38.183 38.487 -0.179 0.000 0.986 423 N HN 0.374 nan 8.380 nan 0.000 0.429 424 S N 0.610 116.217 115.700 -0.155 0.000 2.474 424 S HA 0.004 4.956 4.470 0.803 0.000 0.235 424 S C 1.516 176.044 174.600 -0.120 0.000 0.997 424 S CA 0.376 58.511 58.200 -0.108 0.000 0.949 424 S CB -0.073 63.093 63.200 -0.057 0.000 0.766 424 S HN 0.254 nan 8.310 nan 0.000 0.517 425 R N 0.719 121.110 120.500 -0.183 0.000 2.323 425 R HA 0.298 5.120 4.340 0.803 0.000 0.198 425 R C 0.014 176.202 176.300 -0.186 0.000 0.988 425 R CA 0.399 56.407 56.100 -0.153 0.000 1.041 425 R CB -0.347 29.861 30.300 -0.154 0.000 0.926 425 R HN 0.510 nan 8.270 nan 0.000 0.476 426 I N 1.050 121.475 120.570 -0.242 0.000 2.621 426 I HA 0.182 4.834 4.170 0.803 0.000 0.276 426 I C 0.689 176.728 176.117 -0.130 0.000 1.118 426 I CA -0.127 61.050 61.300 -0.204 0.000 1.159 426 I CB 1.315 39.127 38.000 -0.313 0.000 1.357 426 I HN -0.151 nan 8.210 nan 0.000 0.513 427 K N 2.094 122.445 120.400 -0.082 0.000 2.365 427 K HA 0.144 4.946 4.320 0.803 0.000 0.195 427 K C -0.223 176.352 176.600 -0.042 0.000 1.079 427 K CA 0.383 56.635 56.287 -0.059 0.000 0.979 427 K CB 0.520 32.994 32.500 -0.043 0.000 0.929 427 K HN 0.648 nan 8.250 nan 0.000 0.523 428 D N -2.210 118.170 120.400 -0.034 0.000 2.768 428 D HA 0.085 5.207 4.640 0.803 0.000 0.327 428 D C 0.690 176.981 176.300 -0.015 0.000 1.302 428 D CA -0.674 53.314 54.000 -0.020 0.000 0.897 428 D CB 0.133 40.926 40.800 -0.012 0.000 1.420 428 D HN -0.358 nan 8.370 nan 0.000 0.494 429 M N -0.726 118.871 119.600 -0.005 0.000 2.086 429 M HA 0.017 4.979 4.480 0.803 0.000 0.261 429 M C -0.976 175.328 176.300 0.007 0.000 1.067 429 M CA 1.680 56.980 55.300 0.002 0.000 1.116 429 M CB -2.306 30.300 32.600 0.010 0.000 1.348 429 M HN 0.366 nan 8.290 nan 0.000 0.407 430 P HA -0.105 nan 4.420 nan 0.000 0.215 430 P C 1.703 179.017 177.300 0.023 0.000 1.157 430 P CA 2.092 65.203 63.100 0.019 0.000 0.868 430 P CB -0.185 31.526 31.700 0.017 0.000 0.788 431 S N -0.860 114.849 115.700 0.016 0.000 2.406 431 S HA -0.037 4.915 4.470 0.803 0.000 0.228 431 S C 2.089 176.713 174.600 0.040 0.000 1.020 431 S CA 0.965 59.181 58.200 0.025 0.000 0.965 431 S CB -1.365 61.838 63.200 0.004 0.000 0.798 431 S HN 0.083 nan 8.310 nan 0.000 0.488 432 A N 1.025 123.851 122.820 0.010 0.000 1.902 432 A HA -0.040 4.762 4.320 0.803 0.000 0.217 432 A C 2.476 180.068 177.584 0.014 0.000 1.181 432 A CA 1.446 53.487 52.037 0.006 0.000 0.623 432 A CB -1.510 17.469 19.000 -0.034 0.000 0.818 432 A HN 0.686 nan 8.150 nan 0.000 0.443 433 C N -1.165 118.135 119.300 0.001 0.000 2.429 433 C HA -0.061 4.881 4.460 0.803 0.000 0.277 433 C C 2.863 177.854 174.990 0.002 0.000 1.262 433 C CA 1.088 60.098 59.018 -0.013 0.000 1.733 433 C CB -1.317 26.434 27.740 0.019 0.000 2.010 433 C HN 0.606 nan 8.230 nan 0.000 0.483 434 R N -0.408 120.116 120.500 0.041 0.000 2.073 434 R HA -0.136 4.686 4.340 0.803 0.000 0.234 434 R C 2.090 178.416 176.300 0.044 0.000 1.134 434 R CA 1.798 57.930 56.100 0.054 0.000 0.952 434 R CB -0.559 29.783 30.300 0.071 0.000 0.850 434 R HN 0.600 nan 8.270 nan 0.000 0.433 435 F N 1.137 121.051 119.950 -0.059 0.000 2.102 435 F HA -0.191 4.802 4.527 0.777 0.000 0.298 435 F C 1.972 177.705 175.800 -0.113 0.000 1.105 435 F CA 1.216 59.171 58.000 -0.075 0.000 1.239 435 F CB -0.360 38.573 39.000 -0.112 0.000 0.991 435 F HN -0.057 nan 8.300 nan 0.000 0.474 436 L N 0.932 121.993 121.223 -0.270 0.000 2.083 436 L HA -0.179 4.643 4.340 0.803 0.000 0.209 436 L C 1.970 178.533 176.870 -0.512 0.000 1.083 436 L CA 2.417 56.932 54.840 -0.542 0.000 0.752 436 L CB -1.221 40.468 42.059 -0.616 0.000 0.899 436 L HN 0.349 nan 8.230 nan 0.000 0.433 437 D N -1.814 118.440 120.400 -0.242 0.000 2.117 437 D HA -0.239 4.883 4.640 0.803 0.000 0.197 437 D C 2.289 178.618 176.300 0.047 0.000 0.987 437 D CA 1.401 55.422 54.000 0.034 0.000 0.829 437 D CB -0.046 40.846 40.800 0.152 0.000 0.961 437 D HN 0.390 nan 8.370 nan 0.000 0.460 438 S N -1.685 113.959 115.700 -0.094 0.000 2.371 438 S HA -0.208 4.744 4.470 0.803 0.000 0.224 438 S C 2.009 176.470 174.600 -0.232 0.000 1.029 438 S CA 0.937 59.074 58.200 -0.105 0.000 0.978 438 S CB -0.794 62.361 63.200 -0.075 0.000 0.833 438 S HN 0.546 nan 8.310 nan 0.000 0.466 439 Y N 0.377 120.358 120.300 -0.533 0.000 2.181 439 Y HA -0.130 4.886 4.550 0.776 0.000 0.288 439 Y C 1.857 177.639 175.900 -0.198 0.000 1.146 439 Y CA 2.072 59.873 58.100 -0.497 0.000 1.164 439 Y CB -0.412 37.600 38.460 -0.748 0.000 0.982 439 Y HN 0.357 nan 8.280 nan 0.000 0.515 440 W N 1.033 122.161 121.300 -0.285 0.000 2.465 440 W HA -0.067 5.072 4.660 0.798 0.000 0.268 440 W C 1.778 178.195 176.519 -0.170 0.000 1.242 440 W CA 0.983 58.151 57.345 -0.294 0.000 1.248 440 W CB -0.700 28.568 29.460 -0.319 0.000 1.118 440 W HN 0.317 nan 8.180 nan 0.000 0.587 441 Q N -0.631 119.140 119.800 -0.049 0.000 2.403 441 Q HA 0.196 5.018 4.340 0.803 0.000 0.203 441 Q C 1.527 177.082 176.000 -0.743 0.000 0.932 441 Q CA 0.622 56.241 55.803 -0.307 0.000 0.945 441 Q CB -0.048 28.352 28.738 -0.563 0.000 1.045 441 Q HN 0.248 nan 8.270 nan 0.000 0.511 442 G N 0.885 109.194 108.800 -0.819 0.000 2.147 442 G HA2 -0.302 4.140 3.960 0.803 0.000 0.244 442 G HA3 -0.302 4.140 3.960 0.803 0.000 0.244 442 G C 0.083 174.650 174.900 -0.555 0.000 1.005 442 G CA 0.381 44.752 45.100 -1.215 0.000 0.713 442 G HN 0.639 nan 8.290 nan 0.000 0.515 443 H N -0.220 118.650 119.070 -0.333 0.000 2.526 443 H HA 0.219 5.254 4.556 0.798 0.000 0.274 443 H C 0.875 176.121 175.328 -0.136 0.000 0.999 443 H CA 0.098 56.032 56.048 -0.190 0.000 1.157 443 H CB 0.520 30.211 29.762 -0.118 0.000 1.407 443 H HN 0.395 nan 8.280 nan 0.000 0.568 444 E N 0.754 120.918 120.200 -0.060 0.000 2.264 444 E HA 0.009 4.841 4.350 0.803 0.000 0.260 444 E C 0.838 177.423 176.600 -0.025 0.000 0.961 444 E CA -0.279 56.118 56.400 -0.005 0.000 0.834 444 E CB 1.240 30.956 29.700 0.026 0.000 1.230 444 E HN 0.526 nan 8.360 nan 0.000 0.412 445 E N 0.373 120.591 120.200 0.031 0.000 2.347 445 E HA -0.052 4.779 4.350 0.803 0.000 0.196 445 E C 0.758 177.301 176.600 -0.094 0.000 1.008 445 E CA 0.589 57.000 56.400 0.018 0.000 0.852 445 E CB -0.322 29.443 29.700 0.109 0.000 0.783 445 E HN 0.420 nan 8.360 nan 0.000 0.505 446 I N -0.990 119.508 120.570 -0.121 0.000 2.412 446 I HA 0.575 5.227 4.170 0.803 0.000 0.296 446 I C -0.245 175.683 176.117 -0.316 0.000 0.987 446 I CA -1.248 59.837 61.300 -0.359 0.000 1.180 446 I CB 1.622 39.465 38.000 -0.263 0.000 1.340 446 I HN -0.144 nan 8.210 nan 0.000 0.455 447 R N 3.770 123.888 120.500 -0.636 0.000 2.831 447 R HA 0.675 5.497 4.340 0.803 0.000 0.266 447 R C -1.500 174.438 176.300 -0.604 0.000 1.051 447 R CA -0.953 54.767 56.100 -0.633 0.000 0.943 447 R CB 2.312 32.324 30.300 -0.480 0.000 1.228 447 R HN 0.843 nan 8.270 nan 0.000 0.467 448 Q N 0.576 120.193 119.800 -0.304 0.000 2.527 448 Q HA 0.531 5.353 4.340 0.803 0.000 0.280 448 Q C -1.517 174.488 176.000 0.007 0.000 0.977 448 Q CA -0.982 54.736 55.803 -0.141 0.000 0.837 448 Q CB 1.728 30.433 28.738 -0.055 0.000 1.454 448 Q HN 0.631 nan 8.270 nan 0.000 0.387 449 I N -0.314 120.209 120.570 -0.079 0.000 2.498 449 I HA 0.895 5.547 4.170 0.803 0.000 0.290 449 I C -0.828 175.085 176.117 -0.339 0.000 1.032 449 I CA -0.632 60.525 61.300 -0.238 0.000 1.073 449 I CB 2.148 39.841 38.000 -0.511 0.000 1.251 449 I HN 0.869 nan 8.210 nan 0.000 0.426 450 S N 4.030 119.799 115.700 0.114 0.000 2.588 450 S HA 0.721 5.673 4.470 0.803 0.000 0.269 450 S C -1.109 173.883 174.600 0.654 0.000 1.157 450 S CA -0.919 57.518 58.200 0.394 0.000 0.824 450 S CB 2.325 65.784 63.200 0.431 0.000 1.126 450 S HN 0.907 nan 8.310 nan 0.000 0.464 451 K N 1.076 121.800 120.400 0.540 0.000 2.651 451 K HA 0.575 5.376 4.320 0.803 0.000 0.259 451 K C 0.102 176.859 176.600 0.263 0.000 1.017 451 K CA 0.066 56.588 56.287 0.392 0.000 0.897 451 K CB 1.095 33.739 32.500 0.240 0.000 1.262 451 K HN 0.902 nan 8.250 nan 0.000 0.460 452 S N 1.896 117.726 115.700 0.218 0.000 4.110 452 S HA -0.294 4.658 4.470 0.803 0.000 0.573 452 S C 0.493 175.146 174.600 0.089 0.000 1.936 452 S CA 1.872 60.110 58.200 0.063 0.000 4.227 452 S CB -1.045 62.120 63.200 -0.059 0.000 0.327 452 S HN 1.016 nan 8.310 nan 0.000 0.532 453 D N 2.000 122.377 120.400 -0.037 0.000 2.336 453 D HA 0.331 5.453 4.640 0.803 0.000 0.228 453 D C -0.210 176.236 176.300 0.243 0.000 1.120 453 D CA 0.156 54.226 54.000 0.117 0.000 0.839 453 D CB -0.300 40.522 40.800 0.038 0.000 0.932 453 D HN 0.351 nan 8.370 nan 0.000 0.509 454 D N 0.081 120.635 120.400 0.256 0.000 2.362 454 D HA 0.670 5.792 4.640 0.803 0.000 0.247 454 D C -1.193 175.361 176.300 0.425 0.000 1.050 454 D CA -0.724 53.448 54.000 0.286 0.000 0.839 454 D CB 1.882 42.778 40.800 0.160 0.000 1.283 454 D HN 0.154 nan 8.370 nan 0.000 0.477 455 A N 2.788 125.767 122.820 0.265 0.000 2.586 455 A HA 0.671 5.473 4.320 0.803 0.000 0.291 455 A C -1.501 175.948 177.584 -0.225 0.000 1.062 455 A CA -0.705 51.285 52.037 -0.078 0.000 0.666 455 A CB 1.256 19.980 19.000 -0.460 0.000 1.281 455 A HN 0.499 nan 8.150 nan 0.000 0.421 456 M N 1.716 121.085 119.600 -0.386 0.000 2.263 456 M HA 0.456 5.418 4.480 0.803 0.000 0.295 456 M C -1.401 174.862 176.300 -0.062 0.000 1.028 456 M CA -0.224 54.999 55.300 -0.128 0.000 0.921 456 M CB 1.809 34.374 32.600 -0.057 0.000 1.601 456 M HN 0.583 nan 8.290 nan 0.000 0.440 457 L N 2.295 123.466 121.223 -0.088 0.000 2.295 457 L HA 0.847 5.669 4.340 0.803 0.000 0.285 457 L C 0.398 176.950 176.870 -0.531 0.000 1.035 457 L CA -0.664 53.980 54.840 -0.328 0.000 0.806 457 L CB 1.531 43.461 42.059 -0.215 0.000 1.214 457 L HN 0.802 nan 8.230 nan 0.000 0.426 458 G N 1.972 109.955 108.800 -1.362 0.000 2.533 458 G HA2 0.602 5.044 3.960 0.803 0.000 0.304 458 G HA3 0.602 5.044 3.960 0.803 0.000 0.304 458 G C -1.929 172.234 174.900 -1.227 0.000 1.263 458 G CA -0.365 43.791 45.100 -1.573 0.000 0.964 458 G HN 0.478 nan 8.290 nan 0.000 0.479 459 W N 1.494 122.472 121.300 -0.537 0.000 2.839 459 W HA 0.384 5.099 4.660 0.092 0.000 0.334 459 W C 0.441 176.873 176.519 -0.145 0.000 1.064 459 W CA -0.625 56.558 57.345 -0.270 0.000 1.236 459 W CB 2.379 31.743 29.460 -0.160 0.000 1.405 459 W HN 0.816 nan 8.180 nan 0.000 0.478 460 T N -0.289 114.311 114.554 0.076 0.000 2.867 460 T HA 0.384 5.216 4.350 0.803 0.000 0.286 460 T C 0.424 175.223 174.700 0.165 0.000 1.022 460 T CA -0.738 61.445 62.100 0.137 0.000 0.933 460 T CB 1.147 70.078 68.868 0.105 0.000 1.280 460 T HN 0.039 nan 8.240 nan 0.000 0.566 461 K N 0.678 121.162 120.400 0.140 0.000 2.295 461 K HA 0.618 5.420 4.320 0.803 0.000 0.270 461 K C 0.619 177.289 176.600 0.117 0.000 1.011 461 K CA 0.286 56.648 56.287 0.125 0.000 0.953 461 K CB 0.560 33.119 32.500 0.098 0.000 0.956 461 K HN 1.114 nan 8.250 nan 0.000 0.477 462 G N 0.738 109.604 108.800 0.111 0.000 2.356 462 G HA2 -0.040 4.402 3.960 0.803 0.000 0.288 462 G HA3 -0.040 4.402 3.960 0.803 0.000 0.288 462 G C 0.171 175.123 174.900 0.087 0.000 1.302 462 G CA -0.840 44.317 45.100 0.095 0.000 0.887 462 G HN 0.448 nan 8.290 nan 0.000 0.521 463 R N -0.205 120.316 120.500 0.035 0.000 2.148 463 R HA 0.043 4.865 4.340 0.803 0.000 0.227 463 R C 2.756 179.132 176.300 0.127 0.000 1.103 463 R CA 1.668 57.746 56.100 -0.036 0.000 0.983 463 R CB -0.226 29.845 30.300 -0.382 0.000 0.874 463 R HN 0.561 nan 8.270 nan 0.000 0.451 464 A N 0.866 123.869 122.820 0.304 0.000 2.067 464 A HA -0.068 4.734 4.320 0.803 0.000 0.217 464 A C 1.956 179.722 177.584 0.303 0.000 1.156 464 A CA 0.386 52.674 52.037 0.418 0.000 0.683 464 A CB -0.184 19.126 19.000 0.516 0.000 0.808 464 A HN 0.181 nan 8.150 nan 0.000 0.455 465 L N -0.113 121.250 121.223 0.234 0.000 2.013 465 L HA -0.160 4.662 4.340 0.803 0.000 0.212 465 L C 2.412 179.277 176.870 -0.008 0.000 1.073 465 L CA 2.279 57.169 54.840 0.083 0.000 0.753 465 L CB -0.666 41.482 42.059 0.148 0.000 0.890 465 L HN 0.211 nan 8.230 nan 0.000 0.432 466 V N -0.240 119.718 119.914 0.074 0.000 2.392 466 V HA -0.191 4.411 4.120 0.803 0.000 0.249 466 V C 2.368 178.472 176.094 0.017 0.000 1.059 466 V CA 2.026 64.373 62.300 0.079 0.000 1.051 466 V CB -0.847 31.009 31.823 0.053 0.000 0.658 466 V HN 0.630 nan 8.190 nan 0.000 0.455 467 G N -0.708 108.093 108.800 0.001 0.000 2.408 467 G HA2 -0.124 4.318 3.960 0.803 0.000 0.217 467 G HA3 -0.124 4.318 3.960 0.803 0.000 0.217 467 G C 1.595 176.375 174.900 -0.199 0.000 1.150 467 G CA 0.762 45.859 45.100 -0.005 0.000 0.776 467 G HN 0.686 nan 8.290 nan 0.000 0.542 468 G N 0.004 108.452 108.800 -0.587 0.000 2.469 468 G HA2 -0.258 4.184 3.960 0.803 0.000 0.219 468 G HA3 -0.258 4.184 3.960 0.803 0.000 0.219 468 G C 1.635 176.018 174.900 -0.862 0.000 1.150 468 G CA 1.106 45.323 45.100 -1.472 0.000 0.763 468 G HN 0.508 nan 8.290 nan 0.000 0.561 469 H N 0.235 119.064 119.070 -0.401 0.000 2.389 469 H HA 0.057 5.102 4.556 0.815 0.000 0.299 469 H C 2.823 178.093 175.328 -0.097 0.000 1.081 469 H CA 1.088 57.029 56.048 -0.178 0.000 1.345 469 H CB 0.040 29.724 29.762 -0.131 0.000 1.393 469 H HN 0.303 nan 8.280 nan 0.000 0.520 470 R N 0.177 120.679 120.500 0.003 0.000 2.092 470 R HA -0.099 4.723 4.340 0.803 0.000 0.231 470 R C 2.342 178.640 176.300 -0.003 0.000 1.119 470 R CA 0.622 56.730 56.100 0.014 0.000 0.970 470 R CB -0.252 30.063 30.300 0.025 0.000 0.864 470 R HN 0.123 nan 8.270 nan 0.000 0.440 471 L N 0.380 121.571 121.223 -0.053 0.000 2.017 471 L HA -0.163 4.659 4.340 0.803 0.000 0.208 471 L C 1.983 178.882 176.870 0.049 0.000 1.073 471 L CA 1.695 56.498 54.840 -0.060 0.000 0.745 471 L CB -0.822 41.199 42.059 -0.064 0.000 0.894 471 L HN 0.034 nan 8.230 nan 0.000 0.432 472 F N 0.921 120.773 119.950 -0.163 0.000 2.126 472 F HA -0.209 4.800 4.527 0.802 0.000 0.299 472 F C 2.519 178.324 175.800 0.007 0.000 1.096 472 F CA 1.934 59.886 58.000 -0.080 0.000 1.255 472 F CB -0.670 38.241 39.000 -0.148 0.000 0.997 472 F HN 0.343 nan 8.300 nan 0.000 0.479 473 E N 0.222 120.477 120.200 0.092 0.000 2.110 473 E HA -0.253 4.579 4.350 0.803 0.000 0.193 473 E C 2.391 178.984 176.600 -0.013 0.000 0.988 473 E CA 1.651 58.054 56.400 0.006 0.000 0.804 473 E CB -0.558 29.152 29.700 0.017 0.000 0.745 473 E HN 0.507 nan 8.360 nan 0.000 0.458 474 M N -0.442 119.166 119.600 0.013 0.000 2.117 474 M HA -0.148 4.814 4.480 0.803 0.000 0.262 474 M C 1.770 178.095 176.300 0.042 0.000 1.065 474 M CA 1.413 56.715 55.300 0.004 0.000 1.114 474 M CB -0.062 32.513 32.600 -0.042 0.000 1.361 474 M HN 0.208 nan 8.290 nan 0.000 0.408 475 L N 0.318 121.602 121.223 0.102 0.000 2.017 475 L HA -0.231 4.591 4.340 0.803 0.000 0.208 475 L C 2.661 179.649 176.870 0.198 0.000 1.073 475 L CA 1.688 56.659 54.840 0.219 0.000 0.745 475 L CB -0.796 41.475 42.059 0.353 0.000 0.894 475 L HN 0.384 nan 8.230 nan 0.000 0.432 476 K N 0.489 120.842 120.400 -0.078 0.000 2.063 476 K HA -0.231 4.570 4.320 0.803 0.000 0.208 476 K C 1.899 178.443 176.600 -0.093 0.000 1.048 476 K CA 1.733 57.816 56.287 -0.339 0.000 0.928 476 K CB -0.025 32.062 32.500 -0.690 0.000 0.713 476 K HN 0.349 nan 8.250 nan 0.000 0.442 477 E N -0.728 119.436 120.200 -0.061 0.000 2.153 477 E HA -0.099 4.733 4.350 0.803 0.000 0.194 477 E C 0.960 177.583 176.600 0.038 0.000 0.988 477 E CA 0.674 57.060 56.400 -0.023 0.000 0.811 477 E CB -0.154 29.534 29.700 -0.021 0.000 0.746 477 E HN 0.637 nan 8.360 nan 0.000 0.466 478 G N 1.514 110.365 108.800 0.085 0.000 2.283 478 G HA2 -0.345 4.097 3.960 0.803 0.000 0.280 478 G HA3 -0.345 4.097 3.960 0.803 0.000 0.280 478 G C 0.673 175.611 174.900 0.063 0.000 1.029 478 G CA 1.092 46.255 45.100 0.105 0.000 0.840 478 G HN 0.266 nan 8.290 nan 0.000 0.505 479 K N -1.536 118.891 120.400 0.046 0.000 2.348 479 K HA 0.335 5.137 4.320 0.803 0.000 0.194 479 K C 0.560 177.182 176.600 0.036 0.000 1.052 479 K CA 0.550 56.858 56.287 0.035 0.000 1.004 479 K CB 1.098 33.612 32.500 0.025 0.000 0.873 479 K HN 0.276 nan 8.250 nan 0.000 0.523 480 V N 2.303 122.240 119.914 0.039 0.000 2.531 480 V HA 0.152 4.753 4.120 0.803 0.000 0.301 480 V C -0.691 175.431 176.094 0.046 0.000 1.034 480 V CA -1.314 61.010 62.300 0.040 0.000 0.865 480 V CB 1.539 33.387 31.823 0.041 0.000 0.995 480 V HN 0.155 nan 8.190 nan 0.000 0.424 481 N N 6.926 125.653 118.700 0.045 0.000 2.452 481 N HA 0.206 5.428 4.740 0.803 0.000 0.266 481 N C -1.052 174.501 175.510 0.072 0.000 1.175 481 N CA -1.587 51.493 53.050 0.051 0.000 0.945 481 N CB 1.355 39.859 38.487 0.028 0.000 1.063 481 N HN 0.410 nan 8.380 nan 0.000 0.472 482 P HA -0.000 nan 4.420 nan 0.000 0.242 482 P C -0.313 177.142 177.300 0.258 0.000 1.197 482 P CA 0.326 63.500 63.100 0.124 0.000 0.765 482 P CB 0.454 32.140 31.700 -0.023 0.000 0.936 483 S N 0.777 116.565 115.700 0.147 0.000 2.542 483 S HA 0.514 5.466 4.470 0.803 0.000 0.293 483 S C -2.165 172.412 174.600 -0.039 0.000 1.089 483 S CA -1.786 56.472 58.200 0.098 0.000 0.961 483 S CB 1.872 65.165 63.200 0.156 0.000 1.062 483 S HN -0.157 nan 8.310 nan 0.000 0.483 484 P HA 0.133 nan 4.420 nan 0.000 0.245 484 P C 0.219 177.311 177.300 -0.347 0.000 1.203 484 P CA 0.416 63.306 63.100 -0.350 0.000 0.792 484 P CB 0.048 31.422 31.700 -0.544 0.000 0.997 485 Y N -0.854 119.520 120.300 0.123 0.000 2.389 485 Y HA 0.258 5.287 4.550 0.799 0.000 0.292 485 Y C 1.674 177.594 175.900 0.034 0.000 1.117 485 Y CA 0.559 58.745 58.100 0.144 0.000 1.195 485 Y CB -0.076 38.521 38.460 0.228 0.000 1.076 485 Y HN -0.143 nan 8.280 nan 0.000 0.548 486 M N -0.481 119.197 119.600 0.131 0.000 2.664 486 M HA 0.301 5.263 4.480 0.803 0.000 0.279 486 M C -0.954 175.298 176.300 -0.081 0.000 1.275 486 M CA -1.046 54.235 55.300 -0.032 0.000 0.829 486 M CB 1.815 34.447 32.600 0.053 0.000 1.727 486 M HN -0.301 nan 8.290 nan 0.000 0.459 487 K N 2.201 122.471 120.400 -0.215 0.000 2.292 487 K HA 0.465 5.266 4.320 0.803 0.000 0.290 487 K C -0.648 175.964 176.600 0.019 0.000 1.083 487 K CA -0.166 56.045 56.287 -0.126 0.000 0.918 487 K CB 0.015 32.387 32.500 -0.213 0.000 1.089 487 K HN 0.442 nan 8.250 nan 0.000 0.473 488 I N 1.933 122.552 120.570 0.082 0.000 2.460 488 I HA 0.288 4.940 4.170 0.803 0.000 0.298 488 I C 0.853 177.056 176.117 0.143 0.000 0.989 488 I CA -0.424 60.971 61.300 0.158 0.000 1.173 488 I CB 1.371 39.505 38.000 0.223 0.000 1.338 488 I HN 0.546 nan 8.210 nan 0.000 0.456 489 S N 4.886 120.678 115.700 0.154 0.000 2.794 489 S HA 0.697 5.649 4.470 0.803 0.000 0.299 489 S C -0.988 173.729 174.600 0.196 0.000 1.179 489 S CA -0.784 57.501 58.200 0.141 0.000 0.838 489 S CB 1.803 65.020 63.200 0.029 0.000 1.206 489 S HN 0.462 nan 8.310 nan 0.000 0.523 490 Y N -0.034 120.368 120.300 0.171 0.000 2.387 490 Y HA 0.730 5.762 4.550 0.803 0.000 0.330 490 Y C 0.045 176.059 175.900 0.190 0.000 1.133 490 Y CA -1.038 57.182 58.100 0.200 0.000 1.152 490 Y CB 0.560 39.189 38.460 0.282 0.000 1.215 490 Y HN 0.891 nan 8.280 nan 0.000 0.466 491 E N 2.479 122.783 120.200 0.173 0.000 2.344 491 E HA -0.039 4.793 4.350 0.803 0.000 0.270 491 E C -0.733 175.961 176.600 0.157 0.000 1.021 491 E CA -0.410 56.055 56.400 0.108 0.000 0.887 491 E CB 0.346 30.148 29.700 0.168 0.000 0.997 491 E HN 0.850 nan 8.360 nan 0.000 0.429 492 H N 4.315 123.381 119.070 -0.008 0.000 3.109 492 H HA 0.209 5.247 4.556 0.803 0.000 0.266 492 H C -0.177 175.228 175.328 0.130 0.000 1.334 492 H CA 0.990 57.087 56.048 0.083 0.000 1.456 492 H CB -0.417 29.348 29.762 0.006 0.000 1.587 492 H HN 0.832 nan 8.280 nan 0.000 0.500 493 G N 3.790 112.556 108.800 -0.057 0.000 3.026 493 G HA2 -0.186 4.256 3.960 0.803 0.000 0.252 493 G HA3 -0.186 4.256 3.960 0.803 0.000 0.252 493 G C 0.476 175.448 174.900 0.119 0.000 1.070 493 G CA -0.347 44.750 45.100 -0.005 0.000 1.183 493 G HN 0.927 nan 8.290 nan 0.000 0.571 494 G N -0.087 108.825 108.800 0.188 0.000 2.225 494 G HA2 0.662 5.104 3.960 0.803 0.000 0.245 494 G HA3 0.662 5.104 3.960 0.803 0.000 0.245 494 G C 0.526 175.552 174.900 0.210 0.000 1.249 494 G CA 0.929 46.162 45.100 0.220 0.000 0.919 494 G HN 2.017 nan 8.290 nan 0.000 0.486 495 A N 1.893 124.852 122.820 0.231 0.000 2.594 495 A HA 0.789 5.591 4.320 0.803 0.000 0.291 495 A C -1.661 176.128 177.584 0.341 0.000 1.105 495 A CA -0.679 51.520 52.037 0.269 0.000 0.694 495 A CB 1.866 20.971 19.000 0.176 0.000 1.291 495 A HN 1.151 nan 8.150 nan 0.000 0.410 496 F N 1.748 121.774 119.950 0.127 0.000 2.579 496 F HA 0.563 5.579 4.527 0.814 0.000 0.325 496 F C -0.204 175.508 175.800 -0.147 0.000 1.162 496 F CA -1.072 56.908 58.000 -0.033 0.000 0.946 496 F CB 1.345 40.286 39.000 -0.098 0.000 1.211 496 F HN 0.437 nan 8.300 nan 0.000 0.447 497 L N 6.110 126.924 121.223 -0.682 0.000 3.762 497 L HA -0.134 4.688 4.340 0.803 0.000 0.460 497 L C 1.181 177.845 176.870 -0.343 0.000 1.255 497 L CA 1.530 55.999 54.840 -0.618 0.000 0.783 497 L CB -1.559 39.922 42.059 -0.964 0.000 1.600 497 L HN 1.250 nan 8.230 nan 0.000 0.862 498 G N -1.917 106.787 108.800 -0.159 0.000 2.284 498 G HA2 -0.248 4.194 3.960 0.803 0.000 0.247 498 G HA3 -0.248 4.194 3.960 0.803 0.000 0.247 498 G C 0.220 175.113 174.900 -0.012 0.000 1.012 498 G CA 0.261 45.321 45.100 -0.066 0.000 0.618 498 G HN 0.492 nan 8.290 nan 0.000 0.521 499 D N 0.840 121.222 120.400 -0.030 0.000 2.232 499 D HA 0.527 5.649 4.640 0.803 0.000 0.242 499 D C 0.675 177.148 176.300 0.287 0.000 1.093 499 D CA -0.281 53.775 54.000 0.094 0.000 0.845 499 D CB 1.431 42.228 40.800 -0.005 0.000 1.124 499 D HN 0.315 nan 8.370 nan 0.000 0.467 500 I N 1.967 122.682 120.570 0.242 0.000 2.474 500 I HA -0.002 4.649 4.170 0.803 0.000 0.287 500 I C 0.209 176.412 176.117 0.143 0.000 1.048 500 I CA -0.676 60.743 61.300 0.199 0.000 1.383 500 I CB 0.942 39.016 38.000 0.122 0.000 1.412 500 I HN 0.080 nan 8.210 nan 0.000 0.531 501 L N 8.249 129.461 121.223 -0.019 0.000 2.295 501 L HA 0.289 5.111 4.340 0.803 0.000 0.288 501 L C -0.628 176.074 176.870 -0.280 0.000 1.079 501 L CA -0.215 54.335 54.840 -0.484 0.000 0.830 501 L CB 0.682 42.367 42.059 -0.624 0.000 1.200 501 L HN 0.411 nan 8.230 nan 0.000 0.438 502 L N 6.414 127.478 121.223 -0.264 0.000 2.261 502 L HA 0.401 5.223 4.340 0.803 0.000 0.289 502 L C -0.924 175.869 176.870 -0.130 0.000 1.059 502 L CA 0.182 54.971 54.840 -0.085 0.000 0.816 502 L CB 0.125 42.166 42.059 -0.029 0.000 1.191 502 L HN 0.471 nan 8.230 nan 0.000 0.431 503 Y N 2.720 123.036 120.300 0.027 0.000 2.354 503 Y HA 0.383 5.412 4.550 0.798 0.000 0.322 503 Y C 0.535 176.481 175.900 0.076 0.000 1.253 503 Y CA -0.369 57.754 58.100 0.037 0.000 1.272 503 Y CB 0.981 39.479 38.460 0.064 0.000 1.255 503 Y HN 0.758 nan 8.280 nan 0.000 0.500 504 D N -1.725 118.808 120.400 0.222 0.000 2.570 504 D HA 0.144 5.266 4.640 0.803 0.000 0.266 504 D C 1.085 177.454 176.300 0.115 0.000 1.182 504 D CA -0.038 54.052 54.000 0.149 0.000 1.088 504 D CB -0.279 40.575 40.800 0.091 0.000 1.186 504 D HN 0.368 nan 8.370 nan 0.000 0.618 505 S N -1.197 114.539 115.700 0.060 0.000 2.419 505 S HA -0.157 4.795 4.470 0.803 0.000 0.233 505 S C 1.677 176.278 174.600 0.002 0.000 1.016 505 S CA 0.562 58.766 58.200 0.007 0.000 0.974 505 S CB -0.503 62.699 63.200 0.004 0.000 0.786 505 S HN 0.422 nan 8.310 nan 0.000 0.492 506 R N 0.459 120.980 120.500 0.036 0.000 2.193 506 R HA 0.207 5.029 4.340 0.803 0.000 0.213 506 R C 0.056 176.377 176.300 0.034 0.000 1.055 506 R CA 0.236 56.354 56.100 0.031 0.000 0.995 506 R CB -0.081 30.247 30.300 0.048 0.000 0.893 506 R HN 0.164 nan 8.270 nan 0.000 0.459 507 R N 1.297 121.843 120.500 0.078 0.000 3.336 507 R HA -0.157 4.665 4.340 0.803 0.000 0.260 507 R C -1.170 175.201 176.300 0.117 0.000 1.032 507 R CA 0.854 56.968 56.100 0.022 0.000 0.693 507 R CB -2.254 27.950 30.300 -0.160 0.000 1.134 507 R HN 0.491 nan 8.270 nan 0.000 0.433 508 E N -0.835 119.557 120.200 0.320 0.000 2.314 508 E HA 0.270 5.102 4.350 0.803 0.000 0.272 508 E C -1.921 174.853 176.600 0.290 0.000 0.884 508 E CA -2.189 54.382 56.400 0.286 0.000 0.753 508 E CB 1.911 31.704 29.700 0.155 0.000 1.213 508 E HN -0.229 nan 8.360 nan 0.000 0.432 509 P HA -0.199 nan 4.420 nan 0.000 0.216 509 P C 1.282 178.564 177.300 -0.030 0.000 1.153 509 P CA 1.445 64.576 63.100 0.052 0.000 0.858 509 P CB 0.172 31.965 31.700 0.155 0.000 0.789 510 G N -0.360 108.466 108.800 0.043 0.000 2.442 510 G HA2 -0.233 4.209 3.960 0.803 0.000 0.219 510 G HA3 -0.233 4.209 3.960 0.803 0.000 0.219 510 G C 1.222 176.114 174.900 -0.014 0.000 1.141 510 G CA 1.287 46.398 45.100 0.018 0.000 0.763 510 G HN 0.456 nan 8.290 nan 0.000 0.554 511 S N -0.740 114.958 115.700 -0.004 0.000 2.601 511 S HA 0.736 5.687 4.470 0.803 0.000 0.244 511 S C 0.511 175.072 174.600 -0.064 0.000 1.001 511 S CA 0.105 58.295 58.200 -0.016 0.000 0.984 511 S CB 0.692 63.905 63.200 0.022 0.000 0.842 511 S HN 0.554 nan 8.310 nan 0.000 0.474 512 A N 2.008 124.726 122.820 -0.170 0.000 2.294 512 A HA 0.892 5.694 4.320 0.803 0.000 0.330 512 A C -0.097 177.292 177.584 -0.326 0.000 1.133 512 A CA -1.098 50.736 52.037 -0.338 0.000 0.836 512 A CB 0.604 19.133 19.000 -0.786 0.000 1.190 512 A HN 0.860 nan 8.150 nan 0.000 0.492 513 I N -2.733 117.643 120.570 -0.322 0.000 2.828 513 I HA 0.678 5.330 4.170 0.803 0.000 0.302 513 I C -1.357 174.591 176.117 -0.280 0.000 1.101 513 I CA -0.847 60.312 61.300 -0.234 0.000 1.031 513 I CB 2.010 39.952 38.000 -0.097 0.000 1.231 513 I HN 0.478 nan 8.210 nan 0.000 0.427 514 F N 4.028 123.910 119.950 -0.113 0.000 2.410 514 F HA 0.583 5.590 4.527 0.800 0.000 0.348 514 F C 0.379 176.143 175.800 -0.060 0.000 1.106 514 F CA -0.382 57.567 58.000 -0.085 0.000 1.163 514 F CB 1.852 40.803 39.000 -0.082 0.000 1.129 514 F HN 0.414 nan 8.300 nan 0.000 0.516 515 V N 1.033 121.046 119.914 0.165 0.000 2.962 515 V HA 0.869 5.471 4.120 0.803 0.000 0.313 515 V C 0.115 176.269 176.094 0.101 0.000 1.099 515 V CA -1.083 61.272 62.300 0.093 0.000 0.971 515 V CB 1.085 32.947 31.823 0.064 0.000 1.028 515 V HN 0.834 nan 8.190 nan 0.000 0.430 516 G N 1.255 110.090 108.800 0.058 0.000 2.554 516 G HA2 0.168 4.610 3.960 0.803 0.000 0.238 516 G HA3 0.168 4.610 3.960 0.803 0.000 0.238 516 G C -0.043 174.994 174.900 0.229 0.000 1.259 516 G CA -0.155 44.990 45.100 0.076 0.000 0.843 516 G HN 0.984 nan 8.290 nan 0.000 0.582 517 N N 1.221 120.088 118.700 0.280 0.000 2.415 517 N HA 0.061 5.283 4.740 0.803 0.000 0.246 517 N C 1.216 176.912 175.510 0.309 0.000 1.078 517 N CA -0.739 52.460 53.050 0.247 0.000 0.942 517 N CB 1.025 39.619 38.487 0.179 0.000 1.140 517 N HN 0.261 nan 8.380 nan 0.000 0.501 518 I N 4.227 124.936 120.570 0.230 0.000 2.361 518 I HA -0.180 4.472 4.170 0.803 0.000 0.251 518 I C 1.728 177.905 176.117 0.101 0.000 1.133 518 I CA 1.097 62.483 61.300 0.143 0.000 1.413 518 I CB -0.381 37.723 38.000 0.172 0.000 1.073 518 I HN 0.629 nan 8.210 nan 0.000 0.424 519 N N -0.505 118.271 118.700 0.127 0.000 2.244 519 N HA -0.150 5.072 4.740 0.803 0.000 0.183 519 N C 1.863 177.427 175.510 0.091 0.000 1.016 519 N CA 1.538 54.650 53.050 0.104 0.000 0.866 519 N CB -0.017 38.448 38.487 -0.038 0.000 0.980 519 N HN 0.301 nan 8.380 nan 0.000 0.430 520 S N -0.114 115.648 115.700 0.104 0.000 2.402 520 S HA -0.092 4.860 4.470 0.803 0.000 0.229 520 S C 1.820 176.450 174.600 0.050 0.000 1.021 520 S CA 0.746 59.025 58.200 0.132 0.000 0.974 520 S CB -0.230 63.113 63.200 0.238 0.000 0.800 520 S HN 0.444 nan 8.310 nan 0.000 0.484 521 M N 1.208 120.653 119.600 -0.257 0.000 2.086 521 M HA -0.072 4.890 4.480 0.803 0.000 0.261 521 M C 1.720 177.921 176.300 -0.165 0.000 1.067 521 M CA 1.496 56.437 55.300 -0.598 0.000 1.116 521 M CB -0.268 31.607 32.600 -1.208 0.000 1.348 521 M HN 0.267 nan 8.290 nan 0.000 0.407 522 L N 0.290 121.508 121.223 -0.008 0.000 2.046 522 L HA -0.257 4.565 4.340 0.803 0.000 0.208 522 L C 2.155 179.148 176.870 0.204 0.000 1.077 522 L CA 1.017 55.968 54.840 0.186 0.000 0.747 522 L CB -1.118 41.136 42.059 0.325 0.000 0.896 522 L HN 0.366 nan 8.230 nan 0.000 0.432 523 N N 0.522 119.318 118.700 0.159 0.000 2.069 523 N HA -0.196 5.026 4.740 0.803 0.000 0.191 523 N C 1.555 177.151 175.510 0.143 0.000 1.031 523 N CA 1.594 54.742 53.050 0.162 0.000 0.852 523 N CB -0.604 37.953 38.487 0.116 0.000 1.018 523 N HN 0.440 nan 8.380 nan 0.000 0.423 524 N N 0.444 119.208 118.700 0.107 0.000 2.188 524 N HA -0.087 5.135 4.740 0.803 0.000 0.184 524 N C 1.543 177.106 175.510 0.088 0.000 1.018 524 N CA 0.653 53.771 53.050 0.114 0.000 0.858 524 N CB -0.002 38.575 38.487 0.150 0.000 0.989 524 N HN 0.406 nan 8.380 nan 0.000 0.426 525 Q N -0.596 119.179 119.800 -0.041 0.000 2.212 525 Q HA 0.031 4.852 4.340 0.803 0.000 0.199 525 Q C 0.685 176.600 176.000 -0.142 0.000 0.950 525 Q CA 0.900 56.594 55.803 -0.181 0.000 0.863 525 Q CB 0.285 28.673 28.738 -0.585 0.000 0.944 525 Q HN 0.426 nan 8.270 nan 0.000 0.465 526 F N -1.636 118.594 119.950 0.468 0.000 2.728 526 F HA 0.250 5.259 4.527 0.803 0.000 0.314 526 F C 0.600 176.712 175.800 0.519 0.000 1.094 526 F CA -0.332 58.048 58.000 0.633 0.000 1.217 526 F CB 1.247 40.623 39.000 0.626 0.000 1.056 526 F HN -0.289 nan 8.300 nan 0.000 0.577 527 S N 1.614 117.570 115.700 0.426 0.000 2.327 527 S HA 0.223 5.175 4.470 0.803 0.000 0.203 527 S C -2.553 172.147 174.600 0.166 0.000 1.326 527 S CA -0.966 57.419 58.200 0.308 0.000 1.248 527 S CB 0.164 63.529 63.200 0.274 0.000 1.199 527 S HN -0.124 nan 8.310 nan 0.000 0.422 528 P HA 0.065 nan 4.420 nan 0.000 0.269 528 P C 0.684 177.984 177.300 0.000 0.000 1.215 528 P CA -0.042 63.090 63.100 0.052 0.000 0.780 528 P CB 1.004 32.702 31.700 -0.002 0.000 0.898 529 E N 1.276 121.442 120.200 -0.057 0.000 2.107 529 E HA -0.131 4.701 4.350 0.803 0.000 0.191 529 E C -0.242 176.107 176.600 -0.420 0.000 0.982 529 E CA 0.900 57.138 56.400 -0.271 0.000 0.809 529 E CB -0.019 29.437 29.700 -0.407 0.000 0.756 529 E HN 0.480 nan 8.360 nan 0.000 0.459 530 Y N -0.940 119.349 120.300 -0.019 0.000 2.587 530 Y HA 0.532 5.564 4.550 0.803 0.000 0.337 530 Y C 0.825 176.686 175.900 -0.066 0.000 1.065 530 Y CA -0.836 57.239 58.100 -0.041 0.000 1.126 530 Y CB 1.576 40.012 38.460 -0.039 0.000 1.279 530 Y HN -0.069 nan 8.280 nan 0.000 0.489 531 G N -0.124 108.743 108.800 0.112 0.000 2.621 531 G HA2 0.328 4.770 3.960 0.803 0.000 0.271 531 G HA3 0.328 4.770 3.960 0.803 0.000 0.271 531 G C 0.770 175.664 174.900 -0.010 0.000 1.236 531 G CA -0.166 44.937 45.100 0.006 0.000 0.958 531 G HN 0.761 nan 8.290 nan 0.000 0.512 532 V N -3.069 116.816 119.914 -0.049 0.000 3.380 532 V HA 0.109 4.711 4.120 0.803 0.000 0.268 532 V C 0.994 177.048 176.094 -0.065 0.000 1.168 532 V CA 1.180 63.446 62.300 -0.056 0.000 1.156 532 V CB -1.426 30.374 31.823 -0.039 0.000 0.785 532 V HN 0.786 nan 8.190 nan 0.000 0.487 533 Q N 1.279 121.047 119.800 -0.054 0.000 2.439 533 Q HA -0.245 4.577 4.340 0.803 0.000 0.325 533 Q C 1.501 177.464 176.000 -0.062 0.000 1.372 533 Q CA 0.580 56.346 55.803 -0.061 0.000 0.909 533 Q CB -1.593 27.093 28.738 -0.087 0.000 1.167 533 Q HN 1.031 nan 8.270 nan 0.000 0.418 534 S N -2.417 113.256 115.700 -0.045 0.000 2.469 534 S HA -0.113 4.839 4.470 0.803 0.000 0.238 534 S C 1.626 176.206 174.600 -0.032 0.000 0.998 534 S CA 0.876 59.053 58.200 -0.038 0.000 0.957 534 S CB 0.081 63.269 63.200 -0.021 0.000 0.764 534 S HN 0.633 nan 8.310 nan 0.000 0.514 535 G N 0.549 109.329 108.800 -0.032 0.000 2.813 535 G HA2 0.270 4.712 3.960 0.803 0.000 0.209 535 G HA3 0.270 4.712 3.960 0.803 0.000 0.209 535 G C 0.198 175.080 174.900 -0.030 0.000 1.150 535 G CA -0.107 44.978 45.100 -0.026 0.000 0.785 535 G HN 0.443 nan 8.290 nan 0.000 0.535 536 V N 2.472 122.360 119.914 -0.044 0.000 2.372 536 V HA 0.182 4.784 4.120 0.803 0.000 0.261 536 V C 1.295 177.366 176.094 -0.039 0.000 1.055 536 V CA -0.762 61.510 62.300 -0.047 0.000 0.930 536 V CB 1.043 32.823 31.823 -0.072 0.000 1.031 536 V HN 0.208 nan 8.190 nan 0.000 0.479 537 R N 2.093 122.583 120.500 -0.016 0.000 2.083 537 R HA -0.074 4.748 4.340 0.803 0.000 0.237 537 R C 0.909 177.236 176.300 0.046 0.000 1.137 537 R CA 0.814 56.920 56.100 0.010 0.000 0.951 537 R CB -0.305 30.002 30.300 0.012 0.000 0.851 537 R HN 0.705 nan 8.270 nan 0.000 0.434 538 D N 1.239 121.664 120.400 0.042 0.000 2.359 538 D HA 0.035 5.157 4.640 0.803 0.000 0.250 538 D C 0.726 177.025 176.300 -0.003 0.000 1.264 538 D CA 0.030 54.096 54.000 0.111 0.000 0.911 538 D CB 0.503 41.349 40.800 0.077 0.000 1.056 538 D HN -0.008 nan 8.370 nan 0.000 0.499 539 R N 1.405 121.855 120.500 -0.084 0.000 2.152 539 R HA -0.126 4.696 4.340 0.803 0.000 0.232 539 R C 2.155 178.144 176.300 -0.517 0.000 1.117 539 R CA 1.337 57.160 56.100 -0.461 0.000 0.981 539 R CB -0.053 29.738 30.300 -0.850 0.000 0.870 539 R HN 0.450 nan 8.270 nan 0.000 0.451 540 S N 0.766 116.244 115.700 -0.371 0.000 2.447 540 S HA -0.099 4.853 4.470 0.803 0.000 0.233 540 S C 1.571 176.087 174.600 -0.140 0.000 1.006 540 S CA 0.890 58.964 58.200 -0.209 0.000 0.957 540 S CB 0.034 63.232 63.200 -0.003 0.000 0.773 540 S HN 0.262 nan 8.310 nan 0.000 0.507 541 K N 0.479 120.806 120.400 -0.123 0.000 2.426 541 K HA 0.200 5.002 4.320 0.803 0.000 0.193 541 K C 0.636 177.148 176.600 -0.148 0.000 1.028 541 K CA -0.080 56.142 56.287 -0.109 0.000 1.047 541 K CB 0.184 32.639 32.500 -0.075 0.000 0.821 541 K HN 0.363 nan 8.250 nan 0.000 0.513 542 R N 1.009 121.393 120.500 -0.192 0.000 2.679 542 R HA 0.086 4.908 4.340 0.803 0.000 0.269 542 R C 1.097 177.264 176.300 -0.221 0.000 1.076 542 R CA -0.283 55.692 56.100 -0.209 0.000 1.160 542 R CB 0.463 30.622 30.300 -0.237 0.000 1.054 542 R HN -0.151 nan 8.270 nan 0.000 0.507 543 K N 1.745 121.982 120.400 -0.271 0.000 2.211 543 K HA -0.094 4.708 4.320 0.803 0.000 0.203 543 K C 0.394 176.905 176.600 -0.147 0.000 1.050 543 K CA 1.420 57.517 56.287 -0.317 0.000 0.945 543 K CB 0.095 32.178 32.500 -0.695 0.000 0.732 543 K HN 0.416 nan 8.250 nan 0.000 0.451 544 R N 0.299 120.721 120.500 -0.130 0.000 2.547 544 R HA 0.169 4.991 4.340 0.803 0.000 0.280 544 R C -2.161 174.030 176.300 -0.183 0.000 1.630 544 R CA -1.354 54.701 56.100 -0.074 0.000 1.470 544 R CB 1.194 31.484 30.300 -0.016 0.000 1.178 544 R HN -0.114 nan 8.270 nan 0.000 0.591 545 P HA -0.155 nan 4.420 nan 0.000 0.215 545 P C -0.298 176.387 177.300 -1.025 0.000 1.157 545 P CA 1.377 64.076 63.100 -0.668 0.000 0.874 545 P CB 0.252 31.608 31.700 -0.573 0.000 0.790 546 F N -3.711 116.196 119.950 -0.073 0.000 2.872 546 F HA 0.334 5.342 4.527 0.803 0.000 0.365 546 F C -1.972 173.828 175.800 -0.000 0.000 1.296 546 F CA -1.942 56.027 58.000 -0.051 0.000 1.199 546 F CB 1.190 40.151 39.000 -0.065 0.000 1.687 546 F HN -0.118 nan 8.300 nan 0.000 0.604 547 P HA -0.159 nan 4.420 nan 0.000 0.216 547 P C 1.920 179.305 177.300 0.141 0.000 1.150 547 P CA 1.589 64.783 63.100 0.157 0.000 0.843 547 P CB 0.275 32.096 31.700 0.200 0.000 0.787 548 G N -0.270 108.577 108.800 0.078 0.000 2.448 548 G HA2 -0.214 4.228 3.960 0.803 0.000 0.219 548 G HA3 -0.214 4.228 3.960 0.803 0.000 0.219 548 G C 1.391 176.331 174.900 0.065 0.000 1.127 548 G CA 0.399 45.495 45.100 -0.008 0.000 0.766 548 G HN 0.252 nan 8.290 nan 0.000 0.552 549 L N 0.555 121.842 121.223 0.107 0.000 2.191 549 L HA -0.037 4.785 4.340 0.803 0.000 0.212 549 L C 3.278 180.224 176.870 0.126 0.000 1.103 549 L CA 0.761 55.658 54.840 0.096 0.000 0.769 549 L CB -0.437 41.663 42.059 0.068 0.000 0.908 549 L HN 0.283 nan 8.230 nan 0.000 0.438 550 A N -0.367 122.551 122.820 0.164 0.000 2.070 550 A HA -0.253 4.549 4.320 0.803 0.000 0.220 550 A C 2.161 179.879 177.584 0.224 0.000 1.159 550 A CA 1.030 53.181 52.037 0.189 0.000 0.656 550 A CB -0.881 18.253 19.000 0.222 0.000 0.800 550 A HN 0.695 nan 8.150 nan 0.000 0.453 551 W N 0.490 121.790 121.300 0.000 0.000 2.363 551 W HA -0.175 4.967 4.660 0.804 0.000 0.296 551 W C 2.167 178.692 176.519 0.010 0.000 1.212 551 W CA 1.443 58.777 57.345 -0.019 0.000 1.260 551 W CB -0.042 29.349 29.460 -0.114 0.000 1.131 551 W HN 0.443 nan 8.180 nan 0.000 0.530 552 A N 0.012 122.893 122.820 0.102 0.000 2.066 552 A HA -0.152 4.650 4.320 0.803 0.000 0.218 552 A C 1.857 179.414 177.584 -0.045 0.000 1.157 552 A CA 1.851 53.888 52.037 0.000 0.000 0.670 552 A CB -0.815 18.199 19.000 0.024 0.000 0.804 552 A HN 0.294 nan 8.150 nan 0.000 0.453 553 S N -1.561 114.129 115.700 -0.016 0.000 2.540 553 S HA 0.120 5.072 4.470 0.803 0.000 0.218 553 S C 1.684 176.273 174.600 -0.019 0.000 0.977 553 S CA 0.545 58.728 58.200 -0.028 0.000 0.918 553 S CB -0.410 62.787 63.200 -0.006 0.000 0.806 553 S HN 0.527 nan 8.310 nan 0.000 0.496 554 M N 1.792 121.390 119.600 -0.002 0.000 2.082 554 M HA -0.178 4.784 4.480 0.803 0.000 0.258 554 M C 2.108 178.456 176.300 0.080 0.000 1.069 554 M CA 2.094 57.460 55.300 0.110 0.000 1.102 554 M CB -0.204 32.368 32.600 -0.047 0.000 1.336 554 M HN 0.289 nan 8.290 nan 0.000 0.404 555 K N 0.672 121.034 120.400 -0.065 0.000 2.057 555 K HA -0.199 4.603 4.320 0.803 0.000 0.207 555 K C 1.790 178.250 176.600 -0.234 0.000 1.049 555 K CA 2.138 58.305 56.287 -0.200 0.000 0.931 555 K CB -0.685 31.726 32.500 -0.148 0.000 0.714 555 K HN 0.530 nan 8.250 nan 0.000 0.440 556 D N -0.937 119.367 120.400 -0.159 0.000 2.104 556 D HA -0.139 4.983 4.640 0.803 0.000 0.194 556 D C 1.198 177.383 176.300 -0.192 0.000 0.994 556 D CA 1.677 55.583 54.000 -0.157 0.000 0.830 556 D CB 0.167 40.891 40.800 -0.125 0.000 0.959 556 D HN 0.293 nan 8.370 nan 0.000 0.452 557 T N -1.057 113.361 114.554 -0.227 0.000 2.812 557 T HA -0.106 4.725 4.350 0.803 0.000 0.264 557 T C 1.289 175.632 174.700 -0.594 0.000 1.042 557 T CA 1.019 62.855 62.100 -0.440 0.000 1.140 557 T CB -0.195 68.297 68.868 -0.626 0.000 0.870 557 T HN 0.285 nan 8.240 nan 0.000 0.445 558 Y N -0.029 120.225 120.300 -0.076 0.000 2.445 558 Y HA 0.402 5.433 4.550 0.803 0.000 0.247 558 Y C 2.435 178.130 175.900 -0.342 0.000 1.129 558 Y CA -0.588 57.474 58.100 -0.064 0.000 1.251 558 Y CB -0.188 38.363 38.460 0.151 0.000 1.176 558 Y HN 0.200 nan 8.280 nan 0.000 0.522 559 G N 0.754 109.212 108.800 -0.569 0.000 2.517 559 G HA2 -0.294 4.148 3.960 0.803 0.000 0.222 559 G HA3 -0.294 4.148 3.960 0.803 0.000 0.222 559 G C 1.670 176.334 174.900 -0.393 0.000 1.109 559 G CA 1.120 45.680 45.100 -0.901 0.000 0.746 559 G HN 0.437 nan 8.290 nan 0.000 0.576 560 A N -0.903 121.806 122.820 -0.185 0.000 2.251 560 A HA 0.272 5.074 4.320 0.803 0.000 0.209 560 A C 1.352 178.939 177.584 0.005 0.000 1.187 560 A CA 0.308 52.302 52.037 -0.071 0.000 0.823 560 A CB -0.602 18.369 19.000 -0.047 0.000 0.846 560 A HN 0.462 nan 8.150 nan 0.000 0.486 561 C N 0.685 120.016 119.300 0.053 0.000 2.648 561 C HA 0.338 5.280 4.460 0.803 0.000 0.419 561 C C -0.681 174.373 174.990 0.106 0.000 1.352 561 C CA -1.271 57.814 59.018 0.113 0.000 1.816 561 C CB 0.340 28.195 27.740 0.190 0.000 2.598 561 C HN 0.416 nan 8.230 nan 0.000 0.598 562 P HA -0.140 nan 4.420 nan 0.000 0.217 562 P C 0.837 178.179 177.300 0.070 0.000 1.148 562 P CA 1.757 64.903 63.100 0.077 0.000 0.828 562 P CB -0.113 31.631 31.700 0.074 0.000 0.783 563 I N -6.211 114.372 120.570 0.021 0.000 3.891 563 I HA 0.184 4.836 4.170 0.803 0.000 0.331 563 I C 1.823 177.907 176.117 -0.054 0.000 1.406 563 I CA -0.431 60.803 61.300 -0.111 0.000 1.139 563 I CB -0.721 37.002 38.000 -0.462 0.000 1.056 563 I HN -0.169 nan 8.210 nan 0.000 0.399 564 Y N 2.048 122.320 120.300 -0.047 0.000 2.040 564 Y HA -0.346 4.686 4.550 0.803 0.000 0.275 564 Y C 2.593 178.485 175.900 -0.013 0.000 1.171 564 Y CA 2.460 60.552 58.100 -0.013 0.000 1.123 564 Y CB -0.168 38.307 38.460 0.026 0.000 0.963 564 Y HN 0.298 nan 8.280 nan 0.000 0.493 565 S N 0.261 115.978 115.700 0.027 0.000 2.368 565 S HA -0.222 4.730 4.470 0.803 0.000 0.225 565 S C 1.366 175.923 174.600 -0.073 0.000 1.030 565 S CA 1.659 59.824 58.200 -0.059 0.000 0.999 565 S CB -0.561 62.688 63.200 0.082 0.000 0.844 565 S HN 0.634 nan 8.310 nan 0.000 0.459 566 D N 0.778 121.154 120.400 -0.040 0.000 2.149 566 D HA -0.085 5.037 4.640 0.803 0.000 0.198 566 D C 1.838 178.104 176.300 -0.056 0.000 0.990 566 D CA 0.911 54.909 54.000 -0.002 0.000 0.839 566 D CB -0.213 40.581 40.800 -0.009 0.000 0.948 566 D HN 0.182 nan 8.370 nan 0.000 0.460 567 V N 0.494 120.302 119.914 -0.176 0.000 2.379 567 V HA -0.164 4.438 4.120 0.803 0.000 0.245 567 V C 2.352 178.402 176.094 -0.072 0.000 1.044 567 V CA 1.097 63.312 62.300 -0.142 0.000 1.036 567 V CB -0.425 31.301 31.823 -0.162 0.000 0.664 567 V HN 0.256 nan 8.190 nan 0.000 0.453 568 L N -0.335 120.796 121.223 -0.153 0.000 2.079 568 L HA -0.211 4.611 4.340 0.803 0.000 0.210 568 L C 2.600 179.499 176.870 0.048 0.000 1.081 568 L CA 1.705 56.508 54.840 -0.062 0.000 0.752 568 L CB -0.484 41.446 42.059 -0.215 0.000 0.896 568 L HN 0.412 nan 8.230 nan 0.000 0.433 569 E N -0.288 119.926 120.200 0.023 0.000 2.107 569 E HA -0.178 4.654 4.350 0.803 0.000 0.191 569 E C 2.275 178.904 176.600 0.048 0.000 0.982 569 E CA 0.976 57.414 56.400 0.063 0.000 0.809 569 E CB -0.079 29.655 29.700 0.056 0.000 0.756 569 E HN 0.494 nan 8.360 nan 0.000 0.459 570 A N 1.124 123.953 122.820 0.014 0.000 1.933 570 A HA -0.158 4.644 4.320 0.803 0.000 0.218 570 A C 2.120 179.706 177.584 0.003 0.000 1.175 570 A CA 0.919 52.904 52.037 -0.086 0.000 0.628 570 A CB -0.494 18.484 19.000 -0.037 0.000 0.814 570 A HN 0.131 nan 8.150 nan 0.000 0.444 571 I N -0.812 119.815 120.570 0.095 0.000 2.179 571 I HA -0.257 4.395 4.170 0.803 0.000 0.242 571 I C 2.573 178.872 176.117 0.303 0.000 1.088 571 I CA 1.841 63.271 61.300 0.218 0.000 1.357 571 I CB -0.261 37.853 38.000 0.190 0.000 1.051 571 I HN 0.381 nan 8.210 nan 0.000 0.409 572 E N 1.123 121.481 120.200 0.264 0.000 2.058 572 E HA -0.278 4.554 4.350 0.803 0.000 0.194 572 E C 2.268 179.131 176.600 0.438 0.000 0.997 572 E CA 1.580 58.190 56.400 0.349 0.000 0.801 572 E CB -0.173 29.715 29.700 0.313 0.000 0.746 572 E HN 0.197 nan 8.360 nan 0.000 0.450 573 R N -0.593 120.077 120.500 0.283 0.000 2.073 573 R HA -0.136 4.686 4.340 0.803 0.000 0.234 573 R C 2.308 178.772 176.300 0.273 0.000 1.134 573 R CA 1.841 58.080 56.100 0.231 0.000 0.952 573 R CB -0.692 29.621 30.300 0.021 0.000 0.850 573 R HN 0.344 nan 8.270 nan 0.000 0.433 574 C N -0.396 119.044 119.300 0.233 0.000 2.440 574 C HA -0.075 4.867 4.460 0.803 0.000 0.278 574 C C 2.346 177.660 174.990 0.540 0.000 1.295 574 C CA 0.007 59.190 59.018 0.276 0.000 1.738 574 C CB -1.296 26.498 27.740 0.089 0.000 1.987 574 C HN 0.692 nan 8.230 nan 0.000 0.492 575 W N -0.347 121.185 121.300 0.386 0.000 2.402 575 W HA -0.103 5.039 4.660 0.803 0.000 0.286 575 W C 2.146 178.770 176.519 0.174 0.000 1.221 575 W CA 0.909 58.371 57.345 0.194 0.000 1.257 575 W CB -0.651 28.752 29.460 -0.095 0.000 1.120 575 W HN 0.472 nan 8.180 nan 0.000 0.551 576 W N 1.264 122.784 121.300 0.368 0.000 2.355 576 W HA -0.251 4.890 4.660 0.803 0.000 0.309 576 W C 2.336 178.922 176.519 0.111 0.000 1.206 576 W CA 1.665 59.144 57.345 0.223 0.000 1.284 576 W CB -0.823 28.733 29.460 0.161 0.000 1.145 576 W HN -0.217 nan 8.180 nan 0.000 0.502 577 N N -0.081 118.830 118.700 0.352 0.000 2.104 577 N HA -0.171 5.051 4.740 0.803 0.000 0.190 577 N C 1.589 177.118 175.510 0.031 0.000 1.024 577 N CA 2.035 55.188 53.050 0.171 0.000 0.853 577 N CB -1.015 37.539 38.487 0.113 0.000 1.008 577 N HN 0.176 nan 8.380 nan 0.000 0.424 578 A N -0.879 121.912 122.820 -0.049 0.000 1.935 578 A HA 0.137 4.939 4.320 0.803 0.000 0.214 578 A C 1.454 178.643 177.584 -0.659 0.000 1.178 578 A CA 0.698 52.507 52.037 -0.380 0.000 0.640 578 A CB -0.267 18.434 19.000 -0.497 0.000 0.825 578 A HN 0.230 nan 8.150 nan 0.000 0.447 579 F N -1.330 118.378 119.950 -0.403 0.000 2.724 579 F HA 0.372 5.381 4.527 0.803 0.000 0.306 579 F C 1.645 177.276 175.800 -0.281 0.000 1.100 579 F CA 0.444 58.179 58.000 -0.441 0.000 1.255 579 F CB 0.482 39.007 39.000 -0.792 0.000 1.072 579 F HN 0.309 nan 8.300 nan 0.000 0.589 580 G N 1.377 110.159 108.800 -0.031 0.000 2.246 580 G HA2 -0.215 4.227 3.960 0.803 0.000 0.273 580 G HA3 -0.215 4.227 3.960 0.803 0.000 0.273 580 G C -0.215 174.390 174.900 -0.491 0.000 1.055 580 G CA 0.231 45.337 45.100 0.010 0.000 0.851 580 G HN 0.329 nan 8.290 nan 0.000 0.500 581 E N -1.144 118.495 120.200 -0.935 0.000 2.445 581 E HA 0.497 5.329 4.350 0.803 0.000 0.279 581 E C -0.793 175.099 176.600 -1.180 0.000 1.018 581 E CA -0.612 55.200 56.400 -0.979 0.000 0.816 581 E CB 1.257 30.765 29.700 -0.321 0.000 1.356 581 E HN 0.306 nan 8.360 nan 0.000 0.462 582 S N 0.361 115.674 115.700 -0.646 0.000 2.465 582 S HA 0.119 5.071 4.470 0.803 0.000 0.279 582 S C 0.542 175.005 174.600 -0.228 0.000 1.201 582 S CA -0.305 57.725 58.200 -0.285 0.000 1.053 582 S CB 0.053 63.274 63.200 0.035 0.000 0.953 582 S HN 0.646 nan 8.310 nan 0.000 0.488 583 Y N 5.652 125.696 120.300 -0.425 0.000 2.181 583 Y HA -0.119 4.913 4.550 0.803 0.000 0.288 583 Y C 2.479 178.047 175.900 -0.554 0.000 1.146 583 Y CA 2.014 59.599 58.100 -0.858 0.000 1.164 583 Y CB -0.137 37.759 38.460 -0.940 0.000 0.982 583 Y HN 0.793 nan 8.280 nan 0.000 0.515 584 R N 0.467 120.799 120.500 -0.278 0.000 2.083 584 R HA -0.225 4.597 4.340 0.803 0.000 0.237 584 R C 2.311 178.361 176.300 -0.416 0.000 1.137 584 R CA 1.593 57.520 56.100 -0.289 0.000 0.951 584 R CB -0.644 29.735 30.300 0.130 0.000 0.851 584 R HN 0.450 nan 8.270 nan 0.000 0.434 585 A N -0.008 122.667 122.820 -0.241 0.000 1.933 585 A HA -0.212 4.589 4.320 0.803 0.000 0.218 585 A C 2.019 179.410 177.584 -0.321 0.000 1.175 585 A CA 1.324 53.237 52.037 -0.207 0.000 0.628 585 A CB -0.890 18.057 19.000 -0.087 0.000 0.814 585 A HN 0.657 nan 8.150 nan 0.000 0.444 586 Y N 0.732 120.706 120.300 -0.544 0.000 2.165 586 Y HA -0.228 4.804 4.550 0.803 0.000 0.286 586 Y C 2.345 177.772 175.900 -0.787 0.000 1.155 586 Y CA 2.144 59.886 58.100 -0.597 0.000 1.164 586 Y CB -0.133 37.938 38.460 -0.648 0.000 0.978 586 Y HN 0.177 nan 8.280 nan 0.000 0.513 587 R N 0.696 120.425 120.500 -1.286 0.000 2.115 587 R HA -0.082 4.740 4.340 0.803 0.000 0.226 587 R C 2.096 177.734 176.300 -1.103 0.000 1.100 587 R CA 1.474 56.630 56.100 -1.575 0.000 0.980 587 R CB -0.671 28.037 30.300 -2.653 0.000 0.875 587 R HN 0.568 nan 8.270 nan 0.000 0.445 588 E N 0.664 120.378 120.200 -0.810 0.000 2.110 588 E HA -0.156 4.676 4.350 0.803 0.000 0.193 588 E C 1.301 177.719 176.600 -0.303 0.000 0.988 588 E CA 1.194 57.368 56.400 -0.375 0.000 0.804 588 E CB 0.008 29.603 29.700 -0.175 0.000 0.745 588 E HN 0.255 nan 8.360 nan 0.000 0.458 589 D N 0.384 120.575 120.400 -0.349 0.000 2.117 589 D HA -0.164 4.958 4.640 0.803 0.000 0.197 589 D C 1.845 177.973 176.300 -0.286 0.000 0.987 589 D CA 0.907 54.750 54.000 -0.262 0.000 0.829 589 D CB -0.188 40.471 40.800 -0.234 0.000 0.961 589 D HN 0.134 nan 8.370 nan 0.000 0.460 590 M N 0.078 119.408 119.600 -0.450 0.000 2.117 590 M HA -0.149 4.812 4.480 0.803 0.000 0.262 590 M C 2.008 178.168 176.300 -0.233 0.000 1.065 590 M CA 0.945 56.008 55.300 -0.396 0.000 1.114 590 M CB 0.040 32.263 32.600 -0.629 0.000 1.361 590 M HN 0.042 nan 8.290 nan 0.000 0.408 591 L N 0.738 121.821 121.223 -0.233 0.000 2.017 591 L HA -0.211 4.611 4.340 0.803 0.000 0.208 591 L C 2.068 178.900 176.870 -0.064 0.000 1.073 591 L CA 1.986 56.773 54.840 -0.090 0.000 0.745 591 L CB -0.691 41.359 42.059 -0.014 0.000 0.894 591 L HN 0.197 nan 8.230 nan 0.000 0.432 592 K N -0.732 119.617 120.400 -0.084 0.000 2.026 592 K HA -0.163 4.639 4.320 0.803 0.000 0.208 592 K C 2.198 178.771 176.600 -0.044 0.000 1.048 592 K CA 1.819 58.072 56.287 -0.056 0.000 0.929 592 K CB -0.226 32.238 32.500 -0.060 0.000 0.713 592 K HN 0.361 nan 8.250 nan 0.000 0.439 593 R N 0.797 121.262 120.500 -0.057 0.000 2.083 593 R HA -0.137 4.685 4.340 0.803 0.000 0.237 593 R C 1.828 178.139 176.300 0.017 0.000 1.137 593 R CA 1.533 57.617 56.100 -0.026 0.000 0.951 593 R CB -0.304 29.970 30.300 -0.043 0.000 0.851 593 R HN 0.223 nan 8.270 nan 0.000 0.434 594 D N -0.313 120.100 120.400 0.023 0.000 2.178 594 D HA -0.068 5.054 4.640 0.803 0.000 0.202 594 D C 1.709 178.026 176.300 0.029 0.000 0.974 594 D CA 1.161 55.226 54.000 0.108 0.000 0.841 594 D CB -0.137 40.751 40.800 0.145 0.000 0.953 594 D HN 0.146 nan 8.370 nan 0.000 0.478 595 T N 0.791 115.332 114.554 -0.023 0.000 2.746 595 T HA -0.059 4.773 4.350 0.803 0.000 0.267 595 T C 2.186 176.854 174.700 -0.053 0.000 1.039 595 T CA 0.552 62.612 62.100 -0.066 0.000 1.142 595 T CB -0.143 68.696 68.868 -0.047 0.000 0.866 595 T HN 0.130 nan 8.240 nan 0.000 0.444 596 L N 0.547 121.762 121.223 -0.013 0.000 2.056 596 L HA -0.062 4.760 4.340 0.803 0.000 0.207 596 L C 2.801 179.696 176.870 0.043 0.000 1.078 596 L CA 1.169 56.012 54.840 0.004 0.000 0.749 596 L CB -0.425 41.640 42.059 0.010 0.000 0.901 596 L HN 0.166 nan 8.230 nan 0.000 0.433 597 E N 0.491 120.750 120.200 0.098 0.000 2.110 597 E HA -0.245 4.587 4.350 0.803 0.000 0.193 597 E C 1.976 178.741 176.600 0.276 0.000 0.988 597 E CA 1.057 57.597 56.400 0.235 0.000 0.804 597 E CB -0.260 29.644 29.700 0.340 0.000 0.745 597 E HN 0.244 nan 8.360 nan 0.000 0.458 598 L N 0.534 121.728 121.223 -0.048 0.000 2.042 598 L HA -0.191 4.631 4.340 0.803 0.000 0.210 598 L C 2.226 179.069 176.870 -0.044 0.000 1.076 598 L CA 2.391 57.015 54.840 -0.359 0.000 0.749 598 L CB -1.002 40.672 42.059 -0.642 0.000 0.893 598 L HN 0.264 nan 8.230 nan 0.000 0.432 599 S N -0.749 114.933 115.700 -0.031 0.000 2.440 599 S HA -0.290 4.662 4.470 0.803 0.000 0.238 599 S C 2.183 176.789 174.600 0.010 0.000 1.010 599 S CA 1.243 59.435 58.200 -0.015 0.000 0.972 599 S CB -0.850 62.337 63.200 -0.022 0.000 0.774 599 S HN 0.637 nan 8.310 nan 0.000 0.501 600 R N -0.561 119.967 120.500 0.047 0.000 2.235 600 R HA 0.013 4.835 4.340 0.803 0.000 0.213 600 R C 0.946 177.123 176.300 -0.204 0.000 1.059 600 R CA 0.971 57.027 56.100 -0.075 0.000 0.997 600 R CB -0.138 30.101 30.300 -0.102 0.000 0.884 600 R HN 0.591 nan 8.270 nan 0.000 0.462 601 Y N -1.086 119.224 120.300 0.017 0.000 2.481 601 Y HA 0.207 5.239 4.550 0.803 0.000 0.258 601 Y C 0.286 176.186 175.900 0.000 0.000 1.103 601 Y CA -0.177 57.945 58.100 0.037 0.000 1.287 601 Y CB 1.005 39.540 38.460 0.124 0.000 1.108 601 Y HN -0.247 nan 8.280 nan 0.000 0.529 602 V N 1.017 120.986 119.914 0.092 0.000 2.333 602 V HA 0.342 4.944 4.120 0.803 0.000 0.274 602 V C 1.027 177.125 176.094 0.006 0.000 1.028 602 V CA -0.204 62.118 62.300 0.036 0.000 0.851 602 V CB 0.671 32.491 31.823 -0.005 0.000 1.000 602 V HN 0.345 nan 8.190 nan 0.000 0.456 603 A N 4.493 127.317 122.820 0.007 0.000 1.892 603 A HA -0.167 4.635 4.320 0.803 0.000 0.218 603 A C 2.307 179.885 177.584 -0.011 0.000 1.188 603 A CA 2.414 54.447 52.037 -0.006 0.000 0.631 603 A CB -0.542 18.458 19.000 -0.001 0.000 0.822 603 A HN 1.008 nan 8.150 nan 0.000 0.447 604 S N -1.217 114.478 115.700 -0.009 0.000 2.481 604 S HA 0.130 5.082 4.470 0.803 0.000 0.231 604 S C 0.831 175.419 174.600 -0.020 0.000 0.996 604 S CA 0.414 58.605 58.200 -0.014 0.000 0.942 604 S CB -0.436 62.756 63.200 -0.013 0.000 0.768 604 S HN 0.481 nan 8.310 nan 0.000 0.520 605 M N 2.271 121.857 119.600 -0.022 0.000 2.146 605 M HA 0.476 5.438 4.480 0.803 0.000 0.357 605 M C 0.544 176.828 176.300 -0.026 0.000 1.261 605 M CA -0.427 54.856 55.300 -0.029 0.000 1.106 605 M CB 1.169 33.746 32.600 -0.037 0.000 1.612 605 M HN 0.320 nan 8.290 nan 0.000 0.470 606 A N 3.419 126.224 122.820 -0.025 0.000 2.475 606 A HA 0.097 4.899 4.320 0.803 0.000 0.239 606 A C 0.930 178.500 177.584 -0.023 0.000 1.087 606 A CA -0.051 51.972 52.037 -0.023 0.000 0.779 606 A CB 0.242 19.229 19.000 -0.021 0.000 1.036 606 A HN 0.964 nan 8.150 nan 0.000 0.506 607 R N -0.550 119.937 120.500 -0.021 0.000 2.332 607 R HA -0.156 4.666 4.340 0.803 0.000 0.239 607 R C 0.301 176.590 176.300 -0.018 0.000 1.160 607 R CA 2.000 58.089 56.100 -0.020 0.000 1.020 607 R CB -0.210 30.079 30.300 -0.019 0.000 0.859 607 R HN 0.769 nan 8.270 nan 0.000 0.478 608 Q N -2.775 117.013 119.800 -0.020 0.000 2.171 608 Q HA 0.220 5.042 4.340 0.803 0.000 0.243 608 Q C 0.279 176.264 176.000 -0.024 0.000 0.781 608 Q CA 0.175 55.966 55.803 -0.021 0.000 1.009 608 Q CB 0.950 29.677 28.738 -0.017 0.000 1.340 608 Q HN 0.226 nan 8.270 nan 0.000 0.378 609 A N 0.898 123.701 122.820 -0.027 0.000 1.903 609 A HA 0.208 5.010 4.320 0.803 0.000 0.219 609 A C 1.191 178.756 177.584 -0.032 0.000 1.191 609 A CA 2.060 54.080 52.037 -0.029 0.000 0.638 609 A CB -0.465 18.516 19.000 -0.032 0.000 0.823 609 A HN 0.692 nan 8.150 nan 0.000 0.451 610 G N -3.111 105.666 108.800 -0.039 0.000 2.434 610 G HA2 -0.002 4.440 3.960 0.803 0.000 0.671 610 G HA3 -0.002 4.440 3.960 0.803 0.000 0.671 610 G C 0.041 174.910 174.900 -0.051 0.000 1.280 610 G CA -0.281 44.794 45.100 -0.041 0.000 0.975 610 G HN 0.646 nan 8.290 nan 0.000 0.510 611 L N 0.968 122.162 121.223 -0.049 0.000 2.607 611 L HA 0.334 5.156 4.340 0.803 0.000 0.228 611 L C 2.909 179.748 176.870 -0.052 0.000 1.123 611 L CA 0.905 55.711 54.840 -0.057 0.000 0.890 611 L CB -0.368 41.659 42.059 -0.053 0.000 1.103 611 L HN 0.893 nan 8.230 nan 0.000 0.468 612 A N 0.831 123.625 122.820 -0.044 0.000 1.915 612 A HA -0.245 4.557 4.320 0.803 0.000 0.220 612 A C 2.165 179.720 177.584 -0.048 0.000 1.198 612 A CA 1.883 53.895 52.037 -0.042 0.000 0.647 612 A CB -0.240 18.739 19.000 -0.035 0.000 0.825 612 A HN 0.414 nan 8.150 nan 0.000 0.456 613 E N -0.285 119.885 120.200 -0.050 0.000 2.285 613 E HA 0.055 4.887 4.350 0.803 0.000 0.194 613 E C 0.411 176.973 176.600 -0.063 0.000 0.997 613 E CA 0.053 56.421 56.400 -0.052 0.000 0.845 613 E CB -0.308 29.363 29.700 -0.047 0.000 0.782 613 E HN 0.643 nan 8.360 nan 0.000 0.491 614 L N 2.138 123.319 121.223 -0.069 0.000 2.397 614 L HA 0.102 4.924 4.340 0.803 0.000 0.271 614 L C 1.055 177.869 176.870 -0.094 0.000 1.148 614 L CA -0.320 54.471 54.840 -0.083 0.000 0.825 614 L CB 0.514 42.522 42.059 -0.085 0.000 1.117 614 L HN -0.027 nan 8.230 nan 0.000 0.456 615 T N -0.894 113.589 114.554 -0.117 0.000 2.847 615 T HA 0.291 5.123 4.350 0.803 0.000 0.279 615 T C -1.942 172.664 174.700 -0.157 0.000 0.984 615 T CA -1.806 60.209 62.100 -0.142 0.000 0.988 615 T CB 1.513 70.273 68.868 -0.180 0.000 1.040 615 T HN 0.306 nan 8.240 nan 0.000 0.528 616 P HA -0.000 nan 4.420 nan 0.000 0.215 616 P C 1.610 178.774 177.300 -0.226 0.000 1.153 616 P CA 0.938 63.944 63.100 -0.156 0.000 0.853 616 P CB -0.104 31.504 31.700 -0.153 0.000 0.788 617 I N -0.484 119.847 120.570 -0.399 0.000 2.226 617 I HA -0.253 4.399 4.170 0.803 0.000 0.245 617 I C 1.863 177.726 176.117 -0.425 0.000 1.100 617 I CA 1.516 62.376 61.300 -0.733 0.000 1.374 617 I CB -0.729 36.624 38.000 -1.078 0.000 1.057 617 I HN -0.047 nan 8.210 nan 0.000 0.413 618 D N 0.954 121.189 120.400 -0.275 0.000 2.116 618 D HA -0.177 4.945 4.640 0.803 0.000 0.193 618 D C 2.331 178.583 176.300 -0.081 0.000 0.998 618 D CA 1.425 55.335 54.000 -0.151 0.000 0.836 618 D CB -0.332 40.394 40.800 -0.122 0.000 0.951 618 D HN 0.313 nan 8.370 nan 0.000 0.449 619 L N 0.887 122.065 121.223 -0.075 0.000 2.056 619 L HA -0.125 4.697 4.340 0.803 0.000 0.207 619 L C 2.424 179.325 176.870 0.051 0.000 1.078 619 L CA 0.921 55.753 54.840 -0.014 0.000 0.749 619 L CB -0.383 41.666 42.059 -0.016 0.000 0.901 619 L HN -0.067 nan 8.230 nan 0.000 0.433 620 E N 0.058 120.295 120.200 0.062 0.000 2.110 620 E HA -0.165 4.667 4.350 0.803 0.000 0.193 620 E C 2.372 179.094 176.600 0.204 0.000 0.988 620 E CA 1.115 57.620 56.400 0.176 0.000 0.804 620 E CB -0.238 29.642 29.700 0.301 0.000 0.745 620 E HN 0.318 nan 8.360 nan 0.000 0.458 621 V N 1.311 121.321 119.914 0.161 0.000 2.453 621 V HA -0.184 4.418 4.120 0.803 0.000 0.247 621 V C 2.453 178.621 176.094 0.124 0.000 1.048 621 V CA 1.061 63.456 62.300 0.159 0.000 1.049 621 V CB -0.368 31.523 31.823 0.113 0.000 0.672 621 V HN 0.186 nan 8.190 nan 0.000 0.457 622 L N -0.010 121.281 121.223 0.113 0.000 2.141 622 L HA -0.091 4.731 4.340 0.803 0.000 0.209 622 L C 2.548 179.542 176.870 0.207 0.000 1.094 622 L CA 1.368 56.314 54.840 0.177 0.000 0.763 622 L CB -0.575 41.575 42.059 0.151 0.000 0.908 622 L HN 0.359 nan 8.230 nan 0.000 0.437 623 A N -1.364 121.558 122.820 0.170 0.000 2.021 623 A HA -0.099 4.703 4.320 0.803 0.000 0.216 623 A C 0.625 178.287 177.584 0.130 0.000 1.163 623 A CA 1.032 53.164 52.037 0.159 0.000 0.676 623 A CB 0.016 19.118 19.000 0.170 0.000 0.818 623 A HN 0.344 nan 8.150 nan 0.000 0.453 624 D N -2.227 118.257 120.400 0.140 0.000 2.527 624 D HA 0.311 5.432 4.640 0.803 0.000 0.242 624 D C -2.514 173.865 176.300 0.133 0.000 1.285 624 D CA -1.506 52.577 54.000 0.139 0.000 0.886 624 D CB 1.044 41.947 40.800 0.172 0.000 1.402 624 D HN -0.109 nan 8.370 nan 0.000 0.528 625 P HA -0.108 nan 4.420 nan 0.000 0.220 625 P C 1.335 178.694 177.300 0.098 0.000 1.144 625 P CA 0.553 63.700 63.100 0.079 0.000 0.800 625 P CB 0.244 31.960 31.700 0.026 0.000 0.772 626 N N 0.011 118.792 118.700 0.136 0.000 2.205 626 N HA -0.170 5.052 4.740 0.803 0.000 0.186 626 N C 1.298 176.928 175.510 0.201 0.000 1.015 626 N CA 1.135 54.309 53.050 0.206 0.000 0.862 626 N CB -0.092 38.558 38.487 0.272 0.000 0.986 626 N HN 0.201 nan 8.380 nan 0.000 0.429 627 K N 0.165 120.594 120.400 0.049 0.000 2.442 627 K HA -0.095 4.707 4.320 0.803 0.000 0.198 627 K C 1.309 177.733 176.600 -0.294 0.000 1.042 627 K CA 0.273 56.310 56.287 -0.418 0.000 0.958 627 K CB 0.074 32.416 32.500 -0.262 0.000 0.766 627 K HN 0.067 nan 8.250 nan 0.000 0.474 628 L N 0.455 121.677 121.223 -0.001 0.000 2.591 628 L HA 0.023 4.844 4.340 0.803 0.000 0.228 628 L C 1.139 178.051 176.870 0.071 0.000 1.133 628 L CA 1.268 56.159 54.840 0.084 0.000 0.880 628 L CB 0.129 42.264 42.059 0.126 0.000 1.033 628 L HN 0.028 nan 8.230 nan 0.000 0.450 629 Q N -1.943 117.893 119.800 0.059 0.000 2.139 629 Q HA 0.101 4.923 4.340 0.803 0.000 0.219 629 Q C -0.039 176.072 176.000 0.185 0.000 0.805 629 Q CA 0.066 55.944 55.803 0.125 0.000 1.024 629 Q CB 0.619 29.448 28.738 0.151 0.000 1.163 629 Q HN 0.585 nan 8.270 nan 0.000 0.485 630 Y N -4.387 115.900 120.300 -0.022 0.000 2.690 630 Y HA 0.350 5.381 4.550 0.802 0.000 0.306 630 Y C 0.711 176.509 175.900 -0.170 0.000 0.927 630 Y CA -0.237 57.819 58.100 -0.072 0.000 1.039 630 Y CB -0.043 38.372 38.460 -0.076 0.000 1.437 630 Y HN -0.119 nan 8.280 nan 0.000 0.585 631 K N -0.572 119.346 120.400 -0.804 0.000 2.362 631 K HA 0.225 5.027 4.320 0.803 0.000 0.203 631 K C -0.121 176.051 176.600 -0.715 0.000 1.198 631 K CA 0.203 55.911 56.287 -0.965 0.000 0.908 631 K CB 0.691 32.185 32.500 -1.676 0.000 1.236 631 K HN 0.139 nan 8.250 nan 0.000 0.487 632 W N 0.227 121.365 121.300 -0.270 0.000 2.958 632 W HA 0.448 5.590 4.660 0.803 0.000 0.339 632 W C -0.035 176.420 176.519 -0.107 0.000 1.174 632 W CA -0.659 56.578 57.345 -0.181 0.000 1.064 632 W CB 0.730 30.095 29.460 -0.159 0.000 1.471 632 W HN -0.150 nan 8.180 nan 0.000 0.599 633 T N -0.622 114.049 114.554 0.194 0.000 2.865 633 T HA 0.124 4.955 4.350 0.803 0.000 0.294 633 T C 0.836 175.591 174.700 0.092 0.000 1.119 633 T CA -0.378 61.799 62.100 0.129 0.000 1.007 633 T CB 1.629 70.548 68.868 0.085 0.000 1.225 633 T HN 0.527 nan 8.240 nan 0.000 0.515 634 E N 1.106 121.343 120.200 0.062 0.000 2.136 634 E HA -0.230 4.602 4.350 0.803 0.000 0.202 634 E C 1.753 178.235 176.600 -0.197 0.000 1.019 634 E CA 1.936 58.248 56.400 -0.147 0.000 0.819 634 E CB -0.363 29.134 29.700 -0.337 0.000 0.739 634 E HN 0.647 nan 8.360 nan 0.000 0.458 635 A N 0.533 123.285 122.820 -0.114 0.000 2.168 635 A HA -0.107 4.695 4.320 0.803 0.000 0.215 635 A C 1.329 178.864 177.584 -0.081 0.000 1.152 635 A CA 1.199 53.170 52.037 -0.109 0.000 0.716 635 A CB -0.028 18.911 19.000 -0.102 0.000 0.794 635 A HN 0.295 nan 8.150 nan 0.000 0.465 636 D N -0.573 119.787 120.400 -0.066 0.000 2.349 636 D HA 0.116 5.238 4.640 0.803 0.000 0.215 636 D C 0.121 176.294 176.300 -0.212 0.000 1.016 636 D CA 0.444 54.362 54.000 -0.136 0.000 0.870 636 D CB 0.327 41.017 40.800 -0.184 0.000 0.917 636 D HN 0.198 nan 8.370 nan 0.000 0.524 637 V N 1.112 120.946 119.914 -0.133 0.000 2.483 637 V HA 0.172 4.774 4.120 0.803 0.000 0.295 637 V C 0.529 176.578 176.094 -0.074 0.000 1.035 637 V CA -0.873 61.366 62.300 -0.102 0.000 0.896 637 V CB 1.967 33.806 31.823 0.027 0.000 0.986 637 V HN -0.077 nan 8.190 nan 0.000 0.447 638 S N 2.897 118.553 115.700 -0.073 0.000 2.558 638 S HA 0.162 5.114 4.470 0.803 0.000 0.288 638 S C 1.501 176.097 174.600 -0.007 0.000 1.318 638 S CA 0.176 58.346 58.200 -0.051 0.000 1.056 638 S CB 1.137 64.303 63.200 -0.055 0.000 0.853 638 S HN 1.036 nan 8.310 nan 0.000 0.505 639 A N 3.725 126.538 122.820 -0.012 0.000 1.908 639 A HA -0.210 4.592 4.320 0.803 0.000 0.218 639 A C 2.055 179.671 177.584 0.053 0.000 1.181 639 A CA 1.816 53.863 52.037 0.017 0.000 0.627 639 A CB -0.736 18.261 19.000 -0.005 0.000 0.818 639 A HN 0.925 nan 8.150 nan 0.000 0.445 640 N N 0.013 118.729 118.700 0.026 0.000 2.453 640 N HA -0.104 5.118 4.740 0.803 0.000 0.183 640 N C 1.260 176.793 175.510 0.038 0.000 1.041 640 N CA 1.449 54.517 53.050 0.029 0.000 0.900 640 N CB -0.325 38.166 38.487 0.006 0.000 0.961 640 N HN 0.405 nan 8.380 nan 0.000 0.443 641 I N 0.968 121.561 120.570 0.037 0.000 2.494 641 I HA -0.080 4.572 4.170 0.803 0.000 0.250 641 I C 2.438 178.598 176.117 0.071 0.000 1.112 641 I CA 0.589 61.908 61.300 0.032 0.000 1.438 641 I CB -1.535 36.465 38.000 0.000 0.000 1.111 641 I HN 0.258 nan 8.210 nan 0.000 0.431 642 H N 1.959 121.031 119.070 0.004 0.000 2.353 642 H HA -0.190 4.848 4.556 0.803 0.000 0.298 642 H C 1.758 177.110 175.328 0.041 0.000 1.103 642 H CA 1.965 58.025 56.048 0.020 0.000 1.293 642 H CB 0.374 30.143 29.762 0.012 0.000 1.372 642 H HN 0.422 nan 8.280 nan 0.000 0.501 643 E N -0.189 120.081 120.200 0.116 0.000 2.265 643 E HA -0.110 4.722 4.350 0.803 0.000 0.196 643 E C 2.377 179.013 176.600 0.061 0.000 0.996 643 E CA 0.839 57.291 56.400 0.088 0.000 0.832 643 E CB 0.185 29.944 29.700 0.097 0.000 0.756 643 E HN 0.267 nan 8.360 nan 0.000 0.491 644 V N 1.052 121.000 119.914 0.056 0.000 2.427 644 V HA -0.210 4.392 4.120 0.803 0.000 0.248 644 V C 2.039 178.161 176.094 0.047 0.000 1.051 644 V CA 1.401 63.754 62.300 0.088 0.000 1.048 644 V CB -0.220 31.665 31.823 0.104 0.000 0.666 644 V HN 0.282 nan 8.190 nan 0.000 0.456 645 L N -1.450 119.758 121.223 -0.025 0.000 2.354 645 L HA 0.198 5.020 4.340 0.803 0.000 0.212 645 L C 0.603 177.412 176.870 -0.102 0.000 1.091 645 L CA 0.452 55.250 54.840 -0.070 0.000 0.828 645 L CB 0.007 42.003 42.059 -0.105 0.000 0.973 645 L HN 0.280 nan 8.230 nan 0.000 0.461 646 M N -1.447 118.072 119.600 -0.136 0.000 2.591 646 M HA 0.419 5.381 4.480 0.803 0.000 0.306 646 M C -1.153 175.187 176.300 0.068 0.000 1.190 646 M CA -0.526 54.720 55.300 -0.089 0.000 0.889 646 M CB 1.738 34.186 32.600 -0.253 0.000 1.728 646 M HN -0.136 nan 8.290 nan 0.000 0.458 647 H N -0.515 118.548 119.070 -0.012 0.000 2.865 647 H HA 0.836 5.874 4.556 0.803 0.000 0.372 647 H C -0.982 174.372 175.328 0.043 0.000 1.173 647 H CA -0.299 55.760 56.048 0.018 0.000 1.147 647 H CB 2.015 31.782 29.762 0.009 0.000 1.805 647 H HN 0.818 nan 8.280 nan 0.000 0.553 648 G N 1.122 109.514 108.800 -0.679 0.000 2.605 648 G HA2 0.513 4.955 3.960 0.803 0.000 0.296 648 G HA3 0.513 4.955 3.960 0.803 0.000 0.296 648 G C -1.330 173.339 174.900 -0.384 0.000 1.304 648 G CA -0.660 44.222 45.100 -0.362 0.000 0.941 648 G HN 0.561 nan 8.290 nan 0.000 0.475 649 V N 0.943 120.768 119.914 -0.148 0.000 2.567 649 V HA 0.413 5.015 4.120 0.803 0.000 0.289 649 V C 0.932 176.993 176.094 -0.055 0.000 1.049 649 V CA -0.570 61.683 62.300 -0.078 0.000 0.969 649 V CB 1.513 33.323 31.823 -0.022 0.000 0.995 649 V HN 1.023 nan 8.190 nan 0.000 0.471 650 S N 3.089 118.770 115.700 -0.031 0.000 2.558 650 S HA 0.020 4.972 4.470 0.803 0.000 0.293 650 S C 1.007 175.609 174.600 0.002 0.000 1.292 650 S CA 0.030 58.223 58.200 -0.012 0.000 1.063 650 S CB 1.048 64.249 63.200 0.002 0.000 0.831 650 S HN 0.718 nan 8.310 nan 0.000 0.499 651 V N 2.220 122.137 119.914 0.005 0.000 2.913 651 V HA -0.119 4.483 4.120 0.803 0.000 0.260 651 V C 1.866 177.974 176.094 0.023 0.000 1.098 651 V CA 2.045 64.354 62.300 0.015 0.000 1.121 651 V CB -1.025 30.803 31.823 0.008 0.000 0.714 651 V HN 0.926 nan 8.190 nan 0.000 0.487 652 E N 0.077 120.289 120.200 0.019 0.000 2.072 652 E HA -0.125 4.707 4.350 0.803 0.000 0.190 652 E C 2.259 178.881 176.600 0.037 0.000 0.982 652 E CA 1.123 57.537 56.400 0.023 0.000 0.803 652 E CB -0.255 29.455 29.700 0.017 0.000 0.755 652 E HN 0.498 nan 8.360 nan 0.000 0.453 653 K N 0.212 120.634 120.400 0.036 0.000 2.103 653 K HA -0.046 4.756 4.320 0.803 0.000 0.204 653 K C 2.350 179.005 176.600 0.092 0.000 1.052 653 K CA 1.722 58.039 56.287 0.050 0.000 0.945 653 K CB -0.414 32.102 32.500 0.026 0.000 0.722 653 K HN 0.357 nan 8.250 nan 0.000 0.443 654 T N -1.131 113.472 114.554 0.083 0.000 2.942 654 T HA -0.079 4.753 4.350 0.803 0.000 0.265 654 T C 1.903 176.702 174.700 0.164 0.000 1.062 654 T CA 0.862 63.048 62.100 0.142 0.000 1.139 654 T CB 0.110 69.035 68.868 0.095 0.000 0.883 654 T HN 0.266 nan 8.240 nan 0.000 0.468 655 E N 1.136 121.390 120.200 0.090 0.000 2.077 655 E HA -0.188 4.644 4.350 0.803 0.000 0.193 655 E C 2.509 179.143 176.600 0.056 0.000 0.989 655 E CA 0.885 57.317 56.400 0.054 0.000 0.800 655 E CB -0.131 29.585 29.700 0.027 0.000 0.746 655 E HN 0.557 nan 8.360 nan 0.000 0.452 656 R N -0.508 120.039 120.500 0.079 0.000 2.092 656 R HA -0.146 4.676 4.340 0.803 0.000 0.231 656 R C 2.249 178.613 176.300 0.108 0.000 1.119 656 R CA 1.285 57.428 56.100 0.072 0.000 0.970 656 R CB -0.364 29.979 30.300 0.072 0.000 0.864 656 R HN 0.238 nan 8.270 nan 0.000 0.440 657 F N 0.942 120.914 119.950 0.036 0.000 2.102 657 F HA -0.165 4.844 4.527 0.803 0.000 0.298 657 F C 1.771 177.607 175.800 0.061 0.000 1.105 657 F CA 1.210 59.259 58.000 0.081 0.000 1.239 657 F CB -0.445 38.609 39.000 0.091 0.000 0.991 657 F HN 0.024 nan 8.300 nan 0.000 0.474 658 L N 0.647 121.832 121.223 -0.064 0.000 2.079 658 L HA -0.169 4.653 4.340 0.803 0.000 0.210 658 L C 2.603 179.306 176.870 -0.278 0.000 1.081 658 L CA 1.656 56.358 54.840 -0.230 0.000 0.752 658 L CB -0.794 41.225 42.059 -0.067 0.000 0.896 658 L HN 0.074 nan 8.230 nan 0.000 0.433 659 R N -0.929 119.474 120.500 -0.161 0.000 2.096 659 R HA -0.148 4.673 4.340 0.803 0.000 0.235 659 R C 2.473 178.674 176.300 -0.164 0.000 1.127 659 R CA 1.460 57.475 56.100 -0.142 0.000 0.968 659 R CB -0.273 29.984 30.300 -0.072 0.000 0.861 659 R HN 0.578 nan 8.270 nan 0.000 0.440 660 S N -1.282 114.331 115.700 -0.145 0.000 2.515 660 S HA -0.011 4.941 4.470 0.803 0.000 0.231 660 S C 1.691 176.205 174.600 -0.142 0.000 0.987 660 S CA 0.793 58.965 58.200 -0.046 0.000 0.936 660 S CB 0.231 63.492 63.200 0.101 0.000 0.766 660 S HN 0.099 nan 8.310 nan 0.000 0.528 661 V N 1.139 120.786 119.914 -0.446 0.000 2.521 661 V HA 0.256 4.857 4.120 0.803 0.000 0.239 661 V C 1.468 177.094 176.094 -0.779 0.000 1.053 661 V CA 0.709 62.570 62.300 -0.731 0.000 1.073 661 V CB -0.428 30.779 31.823 -1.027 0.000 0.746 661 V HN 0.452 nan 8.190 nan 0.000 0.476 662 M N 1.992 121.146 119.600 -0.743 0.000 2.245 662 M HA 0.215 5.177 4.480 0.803 0.000 0.330 662 M C -2.120 173.852 176.300 -0.547 0.000 1.098 662 M CA -1.247 53.547 55.300 -0.844 0.000 1.172 662 M CB 0.291 32.526 32.600 -0.608 0.000 1.467 662 M HN 0.079 nan 8.290 nan 0.000 0.454 663 P HA 0.075 nan 4.420 nan 0.000 0.266 663 P C -0.362 176.835 177.300 -0.172 0.000 1.195 663 P CA 0.004 62.953 63.100 -0.251 0.000 0.768 663 P CB 0.376 31.983 31.700 -0.155 0.000 0.838 664 R N 0.000 120.430 120.500 -0.117 0.000 2.786 664 R HA 0.000 4.822 4.340 0.803 0.000 0.208 664 R CA 0.000 56.051 56.100 -0.081 0.000 0.921 664 R CB 0.000 30.268 30.300 -0.053 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535